*HEADER    CELL MOTILITY FACTOR                    26-OCT-00   1E9T
*TITLE     HIGH RESOLUTION SOLUTION STRUCTURE OF HUMAN INTESTINAL
*TITLE    2 TREFOIL FACTOR
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: INTESTINAL TREFOIL FACTOR;
*COMPND   3 CHAIN: A;
*COMPND   4 SYNONYM: HITF;
*COMPND   5 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE   3 ORGANISM_COMMON: HUMAN;
*SOURCE   4 EXPRESSION_SYSTEM: SACCHAROMYCES CEREVISIAE;
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: MT-663;
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PHW 1066;
*SOURCE   7 OTHER_DETAILS: RECOMBINANT HITF PRODUCED IN A YEAST
*SOURCE   8 EXPRESSION VECTOR.
*KEYWDS    INTESTINAL TREFOIL FACTOR, SOLUTION STRUCTURE, TREFOIL
*KEYWDS   2 DOMAIN, NMR SPECTROSCOPY, CELL MOTILITY FACTOR
*EXPDTA    NMR, 85 STRUCTURES
*AUTHOR    X.LEMERCINIER,F.MUSKETT,B.CHEESEMAN,P.MCINTOSH,M.CARR
*REVDAT   1   08-DEC-00 1E9T    0




  3 TYR  HN      3 TYR  HA      5.01   # peak   1667
  3 TYR  HN      3 TYR  QB      4.86   # peak   1668
  3 TYR  HN      3 TYR  QD      8.14   # peak   2095
  3 TYR  HA      3 TYR  QB      3.84   # peak   1670
  3 TYR  HA      3 TYR  QD      8.14   # peak   2511
  3 TYR  HA      4 VAL  HN      4.14   # peak   2152
  3 TYR  QB      3 TYR  QD      9.02   # peak   2505
  3 TYR  QB      3 TYR  QE      9.01   # peak   2506
  3 TYR  QB      4 VAL  HN      5.51   # peak   2151
  3 TYR  QD      3 TYR  QE     10.27   # peak   1035
  3 TYR  QD      4 VAL  HN      8.14   # peak   2156
  3 TYR  QD      4 VAL  HB      8.14   # peak   2501
  3 TYR  QD      4 VAL  QG1     9.17   # peak   2507
  3 TYR  QD      4 VAL  QG2     9.17   # peak   2929
  3 TYR  QD      5 GLY  HA1     8.14   # peak   2509
  3 TYR  QD      5 GLY  HA2     8.14   # peak   2941
  3 TYR  QE      4 VAL  HB      8.13   # peak   2502
  3 TYR  QE      4 VAL  QG1     9.16   # peak   2508
  3 TYR  QE      4 VAL  QG2     9.16   # peak   2930
  3 TYR  QE      5 GLY  HA1     8.13   # peak   2510
  3 TYR  QE      5 GLY  HA2     8.13   # peak   2942
  4 VAL  HN      4 VAL  HA      4.18   # peak    217
  4 VAL  HN      4 VAL  HB      3.68   # peak    328
  4 VAL  HN      4 VAL  QG1     6.65   # peak    340
  4 VAL  HN      4 VAL  QG2     6.65   # peak   2925
  4 VAL  HN      5 GLY  HN      4.86   # peak   2192
  4 VAL  HN      5 GLY  HA1     5.09   # peak   2162
  4 VAL  HN      5 GLY  HA2     5.09   # peak   2938
  4 VAL  HN      6 LEU  QQD     8.13   # peak   1839
  4 VAL  HN      9 ASN  QB      6.88   # peak   2973
  4 VAL  HA      4 VAL  HB      3.64   # peak    203
  4 VAL  HA      4 VAL  QG1     5.13   # peak    336
  4 VAL  HA      4 VAL  QG2     4.10   # peak   2921
  4 VAL  HA      5 GLY  HN      3.11   # peak   2191
  4 VAL  HA      6 LEU  HN      5.43   # peak   2194
  4 VAL  HB      4 VAL  QG1     4.41   # peak     80
  4 VAL  HB      4 VAL  QG2     5.32   # peak    335
  4 VAL  HB      5 GLY  HN      4.82   # peak   2190
  4 VAL  QG1     5 GLY  HN      7.03   # peak   2189
  4 VAL  QG1     5 GLY  HA1     7.03   # peak   2856
  4 VAL  QG1     5 GLY  HA2     7.03   # peak   2932
  4 VAL  QG1     6 LEU  HN      7.03   # peak   2195
  4 VAL  QG2     5 GLY  HN      7.03   # peak   2926
  4 VAL  QG2     5 GLY  HA1     6.72   # peak   2931
  4 VAL  QG2     5 GLY  HA2     6.65   # peak   2933
  4 VAL  QG2     6 LEU  HN      7.03   # peak   2927
  5 GLY  HN      5 GLY  HA1     3.53   # peak   1645
  5 GLY  HN      5 GLY  HA2     3.45   # peak   1557
  5 GLY  HN      6 LEU  HB2     6.00   # peak   2971
  5 GLY  HN      6 LEU  HG      6.00   # peak   2972
  5 GLY  HN     10 GLN  HB3     6.00   # peak   2970
  5 GLY  HA1     6 LEU  HN      3.15   # peak   2193
  5 GLY  HA1     6 LEU  HA      5.00   # peak   2858 was 4.02 ov
  5 GLY  HA1     6 LEU  HB3     5.00   # peak   2857 was 4.02 ov
  5 GLY  HA1     6 LEU  QQD     7.98   # peak   2855
  5 GLY  HA2     6 LEU  HN      3.38   # peak   2940
  5 GLY  HA2     6 LEU  HA      5.00   # peak   2937 was 4.14 ov
  5 GLY  HA2     6 LEU  HB3     5.00   # peak   2936 was 4.18 ov
  5 GLY  HA2     6 LEU  QQD     8.13   # peak   2935
  6 LEU  HN      6 LEU  HA      3.91   # peak    365
  6 LEU  HN      6 LEU  HB2     3.26   # peak    186
  6 LEU  HN      6 LEU  HB3     3.72   # peak    366
  6 LEU  HN      6 LEU  HG      3.76   # peak    363
  6 LEU  HN      6 LEU  QQD     8.13   # peak    374
  6 LEU  HA      6 LEU  HB2     2.66   # peak    185
  6 LEU  HA      6 LEU  HB3     3.00   # peak    187
  6 LEU  HA      6 LEU  QQD     5.47   # peak    373
  6 LEU  HB2     6 LEU  QQD     5.36   # peak   1804
  6 LEU  HB3     6 LEU  QQD     6.12   # peak    384
  6 LEU  HG      6 LEU  QQD     4.48   # peak     69
  6 LEU  QQD    10 GLN  HE21    8.13   # peak   2966
#  6 LEU  HG     32 ASN  HA      6.00   # peak   2629 miss QB28->32HA
#  6 LEU  QQD    32 ASN  HN      8.13   # peak   2127
  7 SER  HN      7 SER  HA      3.30   # peak   1433
  7 SER  HN      7 SER  HB2     4.10   # peak   1434
  7 SER  HN      7 SER  HB3     4.44   # peak   1435
  7 SER  HA      7 SER  HB2     2.43   # peak   1385
  7 SER  HA      7 SER  HB3     2.66   # peak   1386
  7 SER  HA      8 ALA  HN      3.57   # peak   2037
  7 SER  HA      8 ALA  QB      5.58   # peak   2730
  7 SER  HB2     7 SER  HB3     2.58   # peak   1389
  7 SER  HB3     8 ALA  QB      7.03   # peak   2731
  7 SER  HB3    10 GLN  HN      6.00   # peak   2185
  8 ALA  HN      8 ALA  HA      4.10   # peak   2182
  8 ALA  HN      8 ALA  QB      6.08   # peak   1005
  8 ALA  HN     12 ALA  HA      6.00   # peak   2981
  8 ALA  HA      8 ALA  QB      3.76   # peak   1003
  8 ALA  HA      9 ASN  HN      4.86   # peak   2318
  8 ALA  HA     10 GLN  HN      6.00   # peak   2279
  8 ALA  HA     11 CYSS HA      6.00   # peak   2594
  8 ALA  HA     11 CYSS HB2     4.78   # peak   2823
  8 ALA  HA     11 CYSS HB3     5.01   # peak   1843
  8 ALA  HA     12 ALA  HN      6.00   # peak   2990
  8 ALA  QB      9 ASN  HN      6.53   # peak   2098
  9 ASN  HN      9 ASN  HA      4.71   # peak   1666
  9 ASN  HN      9 ASN  QB      5.28   # peak   1728
  9 ASN  HA     10 GLN  HN      3.49   # peak   2180
  9 ASN  HA     12 ALA  HN      4.10   # peak   2289
  9 ASN  QB     10 GLN  HN      4.90   # peak   2183
 10 GLN  HN     10 GLN  HA      3.45   # peak   1565
 10 GLN  HN     10 GLN  HB2     3.34   # peak   1567
 10 GLN  HN     10 GLN  HB3     3.38   # peak   2170
 10 GLN  HN     10 GLN  QG      5.66   # peak   2177
 10 GLN  HN     11 CYSS HN      3.34   # peak   2179
 10 GLN  HN     11 CYSS HA      6.00   # peak   2184
 10 GLN  HN     11 CYSS HB2     6.00   # peak   2977
 10 GLN  HN     12 ALA  HN      5.32   # peak   2178
 10 GLN  HN     12 ALA  QB      7.03   # peak   2467
 10 GLN  HN     52 LEU  HB3     6.00   # peak   2969
 10 GLN  HA     10 GLN  HB2     2.62   # peak   1598
 10 GLN  HA     10 GLN  QG      4.94   # peak   1597
 10 GLN  HA     10 GLN  HE21    6.00   # peak   2347
 10 GLN  HA     10 GLN  HE22    6.00   # peak   2346
 10 GLN  HA     11 CYSS HN      3.83   # peak   2248
 10 GLN  HA     11 CYSS HA      6.00   # peak ov with 2595
 10 GLN  HA     12 ALA  HN      3.95   # peak   2290
 10 GLN  HA     51 PRO  HA      4.48   # peak   2672
 10 GLN  HA     52 LEU  QD1     3.72   # peak   2790
 10 GLN  HB2    10 GLN  QG      4.90   # peak   1794
 10 GLN  HB2    10 GLN  HE21    6.00   # peak   2344
 10 GLN  HB2    10 GLN  HE22    6.00   # peak   2339
 10 GLN  HB3    10 GLN  HE21    6.00   # peak   2343
 10 GLN  HB3    10 GLN  HE22    6.00   # peak   2338
 10 GLN  HB3    11 CYSS HN      4.06   # peak   2246
 10 GLN  HB3    52 LEU  HN      4.75   # peak   1990
 10 GLN  QG     10 GLN  HE21    5.74   # peak   2345
 10 GLN  QG     10 GLN  HE22    6.15   # peak   2340
 10 GLN  QG     11 CYSS HN      6.88   # peak   2249
 10 GLN  QG     52 LEU  HN      6.88   # peak   1991
 10 GLN  HE21   10 GLN  HE22    2.24   # peak   1761
 11 CYSS HN     52 LEU  HN      6.00   # peak   1466
 11 CYSS HN     11 CYSS HA      3.64   # peak   1439
 11 CYSS HN     11 CYSS HB2     3.23   # peak   1442
 11 CYSS HN     11 CYSS HB3     3.57   # peak   1440
 11 CYSS HN     12 ALA  HN      2.88   # peak   2250
 11 CYSS HA     11 CYSS HB2     3.53   # peak   1213
 11 CYSS HA     11 CYSS HB3     2.88   # peak   1392
 11 CYSS HA     12 ALA  HN      3.61   # peak   2292
 11 CYSS HA     12 ALA  QB      7.03   # peak   2588
 11 CYSS HA     13 VAL  HB      5.70   # peak   2590
 11 CYSS HA     13 VAL  QG2     5.24   # peak   2587
 11 CYSS HA     37 CYSS HB2     6.00   # peak   2586
 11 CYSS HA     37 CYSS HB3     5.28   # peak   2593
# 11 CYSS HA     42 ILE  QD1     7.03   # peak   2584
## 11 CYSS HA     49 PHE  HD1     6.00   # peak   2418 was 5.66 ov remove temp
 11 CYSS HA     49 PHE  HE1     6.00   # peak   2995
 11 CYSS HA     49 PHE  HZ      4.67   # peak   2422
 11 CYSS HA     49 PHE  HD2     6.00   # peak   2375
 11 CYSS HA     51 PRO  HA      3.49   # peak   2597
 11 CYSS HA     52 LEU  HN      4.02   # peak   1994
 11 CYSS HA     52 LEU  HA      6.00   # peak   2595 was 5.01 ov
 11 CYSS HA     52 LEU  HB2     6.00   # peak   2591
 11 CYSS HA     52 LEU  HB3     6.00   # peak   2589
 11 CYSS HB2    11 CYSS HB3     2.58   # peak   1394
 11 CYSS HB2    12 ALA  QB      6.00   # peak   2996
 11 CYSS HB2    13 VAL  QG2     7.03   # peak   2601
 11 CYSS HB2    37 CYSS HB3     3.83   # peak   2603
# 11 CYSS HB2    42 ILE  QD1     7.03   # peak   2602
 11 CYSS HB2    49 PHE  HZ      3.83   # peak   2955
 11 CYSS HB3    13 VAL  QG2     7.03   # peak   2598
 11 CYSS HB3    37 CYSS HB2     4.25   # peak   2914
 11 CYSS HB3    37 CYSS HB3     4.67   # peak   2600
 11 CYSS HB3    49 PHE  HD1     6.00   # peak   2963 was 4.82 ov
 11 CYSS HB3    49 PHE  HE1     4.97   # peak   2988
 12 ALA  HN     12 ALA  HA      3.30   # peak   1028
 12 ALA  HN     12 ALA  QB      4.22   # peak   1027
 12 ALA  HN     13 VAL  QG1     5.77   # peak   2291
 12 ALA  HN     51 PRO  HA      5.20   # peak   2989
 12 ALA  HA     12 ALA  QB      3.27   # peak   1025
 12 ALA  HA     13 VAL  HN      3.00   # peak   2258
 12 ALA  HA     13 VAL  QG1     7.03   # peak   2713 was 6.23 ov
 12 ALA  HA     13 VAL  QG2     7.03   # peak   2714
 12 ALA  QB     13 VAL  HN      5.01   # peak   2255
 13 VAL  HN     13 VAL  HA      3.45   # peak     46
 13 VAL  HN     13 VAL  HB      3.26   # peak     45
 13 VAL  HN     13 VAL  QG1     5.43   # peak     43
 13 VAL  HN     13 VAL  QG2     4.79   # peak     44
 13 VAL  HN     14 PRO  HD2     6.00   # peak   2423
 13 VAL  HN     18 ARG+ HG3     6.00   # peak   2965
 13 VAL  HN     18 ARG+ HE      6.00   # peak   2257
 13 VAL  HA     13 VAL  HB      3.57   # peak    141
 13 VAL  HA     13 VAL  QG1     3.65   # peak     36
 13 VAL  HA     13 VAL  QG2     3.95   # peak     37
 13 VAL  HA     14 PRO  HD2     4.29   # peak   2747
 13 VAL  HA     14 PRO  HD3     3.38   # peak   2746
 13 VAL  HA     52 LEU  HB2     3.42   # peak   2745
 13 VAL  HB     13 VAL  QG1     3.34   # peak     12
 13 VAL  HB     13 VAL  QG2     3.34   # peak     15
 13 VAL  HB     19 VAL  HN      6.00   # peak   1890
 13 VAL  HB     49 PHE  HD1     6.00   # peak   2403 was 3.64 ov
 13 VAL  HB     49 PHE  HZ      5.00   # peak   2402 was 3.71 ov
 13 VAL  HB     49 PHE  HD2     4.82   # peak   2368 
 13 VAL  QG1    13 VAL  QG2     5.05   # peak     14
 13 VAL  QG1    14 PRO  HD2     3.91   # peak   2784
 13 VAL  QG1    14 PRO  HD3     4.06   # peak   2786
 13 VAL  QG1    15 ALA  HA      7.03   # peak   2905
 13 VAL  QG1    17 ASP- HN      7.03   # peak   2367
 13 VAL  QG1    17 ASP- HA      7.03   # peak   2656 was 6.50 ov
 13 VAL  QG1    17 ASP- HB2     4.03   # peak   2664
 13 VAL  QG1    17 ASP- HB3     7.03   # peak   2662
 13 VAL  QG1    18 ARG+ HN      5.39   # peak   2307
 13 VAL  QG1    18 ARG+ HE      7.03   # peak   2579
 13 VAL  QG1    19 VAL  HN      6.31   # peak   1888
 13 VAL  QG1    49 PHE  HD1     7.03   # peak   2394 was 6.08 ov
 13 VAL  QG1    49 PHE  HZ      7.03   # peak   2393
 13 VAL  QG1    49 PHE  HD2     7.03   # peak   2366
 13 VAL  QG1    51 PRO  HA      7.03   # peak   2655 was 6.19 ov
 13 VAL  QG1    53 GLN  HN      5.55   # peak   2075
 13 VAL  QG1    53 GLN  HE21    7.03   # peak   2355
 13 VAL  QG1    53 GLN  HE22    7.03   # peak   2356
 13 VAL  QG2    14 PRO  HD2     5.13   # peak   2785
 13 VAL  QG2    14 PRO  HD3     5.62   # peak   2787
 13 VAL  QG2    15 ALA  HA      7.03   # peak   2912
 13 VAL  QG2    17 ASP- HA      7.03   # peak   2660 was 6.08 ov
 13 VAL  QG2    17 ASP- HB3     7.03   # peak   2663
 13 VAL  QG2    49 PHE  HD1     7.03   # peak   2397 was 4.33 ov
 13 VAL  QG2    49 PHE  HZ      4.94   # peak   2393
 13 VAL  QG2    49 PHE  HD2     5.09   # peak   2367
 13 VAL  QG2    51 PRO  HA      4.67   # peak   2644
 13 VAL  QG2    52 LEU  HN      5.13   # peak   1987
 13 VAL  QG2    52 LEU  HA      3.95   # peak   2771
 13 VAL  QG2    52 LEU  HB2     4.60   # peak   2774
 13 VAL  QG2    52 LEU  HB3     4.37   # peak   2777
 13 VAL  QG2    53 GLN  HN      7.03   # peak   2076
 13 VAL  QG2    53 GLN  HE21    7.03   # peak   2350
 13 VAL  QG2    53 GLN  HE22    7.03   # peak   2351
 14 PRO  HA     14 PRO  QB      3.53   # peak   2782
 14 PRO  HA     14 PRO  HG3     3.04   # peak   2781
 14 PRO  HA     14 PRO  HG2     2.81   # peak   2780
 14 PRO  HA     14 PRO  HD2     4.67   # peak    298
 14 PRO  HA     14 PRO  HD3     3.57   # peak    299
 14 PRO  HA     15 ALA  QB      4.86   # peak   2779
 14 PRO  QB     14 PRO  HG3     3.65   # peak   2783
 14 PRO  QB     14 PRO  HG2     3.08   # peak   1858
 14 PRO  QB     14 PRO  HD2     4.75   # peak   1818
 14 PRO  QB     14 PRO  HD3     4.79   # peak   2788
 14 PRO  QB     16 LYS+ HN      6.88   # peak   1735
 14 PRO  HG3    15 ALA  HN      6.00   # peak   2040
 14 PRO  HG3    16 LYS+ HN      6.00   # peak   2967
 14 PRO  HG2    15 ALA  HN      5.20   # peak   2032
 14 PRO  HD2    14 PRO  HD3     2.28   # peak   1837
 14 PRO  HD3    16 LYS+ HN      6.00   # peak   1730
 14 PRO  HD3    17 ASP- HN      6.00   # peak   2374
 15 ALA  HN     15 ALA  HA      3.26   # peak   2034
 15 ALA  HN     15 ALA  QB      4.41   # peak   2031
 15 ALA  HN     16 LYS+ HN      4.48   # peak   2041
 15 ALA  HN     18 ARG+ HA      6.00   # peak   2035 was 2.92 ov 
 15 ALA  HN     18 ARG+ HD3     4.67   # peak   2033
 15 ALA  HN     18 ARG+ HE      6.00   # peak   2036
 15 ALA  HA     15 ALA  QB      3.72   # peak   1023
 15 ALA  HA     16 LYS+ HN      3.95   # peak   2105
 15 ALA  HA     17 ASP- HN      4.59   # peak   2206
 15 ALA  HN     17 ASP- HA      6.00   # peak   1571
 15 ALA  HA     18 ARG+ HN      3.57   # peak   2311
 15 ALA  HA     18 ARG+ HA      6.00   # peak   2751 was 3.30 ov
 15 ALA  HA     18 ARG+ HB2     4.25   # peak   2906
 15 ALA  HA     18 ARG+ HG2     4.59   # peak   2907
 15 ALA  HA     18 ARG+ HG3     4.18   # peak   2900
 15 ALA  HA     18 ARG+ HD3     4.78   # peak   2911
 15 ALA  HA     18 ARG+ HD2     4.86   # peak   2908
 15 ALA  HA     18 ARG+ HE      5.24   # peak   2581
# 15 ALA  HA     42 ILE  QG2     7.03   # peak   2904
# 15 ALA  HA     42 ILE  QD1     5.81   # peak   2902
 15 ALA  HA     45 VAL  HB      4.59   # peak   2910
 15 ALA  HA     45 VAL  QG2     6.27   # peak   2901
 15 ALA  HA     45 VAL  QG1     7.03   # peak   2903
 15 ALA  HA     46 PRO  HG2     6.00   # peak   2909 was 5.13 ov
 15 ALA  HA     49 PHE  HZ      6.00   # peak   2956
 15 ALA  QB     18 ARG+ HG3     7.03   # peak   2895
 15 ALA  QB     18 ARG+ HD3     6.00   # peak   2761 was 4.56 ov
 15 ALA  QB     18 ARG+ HE      6.00   # peak   2580
# 15 ALA  QB     42 ILE  QG2     8.06   # peak   2899
# 15 ALA  QB     42 ILE  QD1     5.81   # peak   2897
 15 ALA  QB     45 VAL  HN      7.03   # peak   2444
 15 ALA  QB     45 VAL  HA      5.77   # peak   2674
 15 ALA  QB     45 VAL  HB      5.36   # peak   2684
 15 ALA  QB     45 VAL  QG2     8.06   # peak   2896
 15 ALA  QB     45 VAL  QG1     7.75   # peak   2898
 16 LYS+ HN     16 LYS+ HA      3.00   # peak   1273
 16 LYS+ HN     16 LYS+ HB2     3.50   # peak   1325 was 3.00 ov
 16 LYS+ HN     16 LYS+ HB3     3.07   # peak   1274
 16 LYS+ HN     16 LYS+ HG3     3.00   # peak   2102
 16 LYS+ HN     16 LYS+ HG2     4.25   # peak   1275
 16 LYS+ HN     16 LYS+ HD2     5.16   # peak   2103
 16 LYS+ HN     17 ASP- HN      3.15   # peak   2108
 16 LYS+ HN     17 ASP- HA      5.00   # peak   2110 was 4.10 ov
 16 LYS+ HN     17 ASP- HB3     4.14   # peak   2109
 16 LYS+ HN     18 ARG+ HN      4.44   # peak   2107
 16 LYS+ HN     42 ILE  QD1     7.03   # peak   2963
 16 LYS+ HN     45 VAL  QG1     7.03   # peak   2101
 16 LYS+ HA     16 LYS+ HB2     2.31   # peak   1314
 16 LYS+ HA     16 LYS+ HB3     2.58   # peak   1312
 16 LYS+ HA     16 LYS+ HG3     4.14   # peak   1307
 16 LYS+ HA     16 LYS+ HG2     5.35   # peak   1309
 16 LYS+ HA     16 LYS+ HD2     4.10   # peak   1316
 16 LYS+ HA     16 LYS+ HE2     6.00   # peak   1310
 16 LYS+ HA     16 LYS+ HE3     6.00   # peak   1311
 16 LYS+ HA     17 ASP- HN      3.80   # peak   2208
 16 LYS+ HA     17 ASP- HA      6.00   # peak   2658
 16 LYS+ HA     17 ASP- HB3     5.00   # peak   2826 was 3.64 ov
 16 LYS+ HA     18 ARG+ HN      4.06   # peak   2314
 16 LYS+ HA     45 VAL  QG2     7.03   # peak   2824
 16 LYS+ HA     45 VAL  QG1     6.00   # peak   2825 was 5.28 ov
 16 LYS+ HB2    16 LYS+ HG2     3.99   # peak   1348
 16 LYS+ HB2    16 LYS+ HE2     6.00   # peak   1302
 16 LYS+ HB2    16 LYS+ HE3     5.43   # peak   1301
 16 LYS+ HB2    17 ASP- HA      4.78   # peak   2668
 16 LYS+ HB3    16 LYS+ HG3     2.62   # peak   1346
 16 LYS+ HB3    16 LYS+ HG2     3.38   # peak   1344
 16 LYS+ HB3    16 LYS+ HE2     6.00   # peak   1333
 16 LYS+ HB3    16 LYS+ HE3     6.00   # peak   1334
 16 LYS+ HB3    17 ASP- HA      6.00   # peak   2667
 16 LYS+ HG3    16 LYS+ HG2     2.20   # peak   1341
 16 LYS+ HG3    16 LYS+ HE2     6.00   # peak   1330
 16 LYS+ HG3    16 LYS+ HE3     4.40   # peak   1326
 16 LYS+ HG3    17 ASP- HN      4.63   # peak   2203
 16 LYS+ HG3    17 ASP- HA      6.00   # peak   2657
 16 LYS+ HG3    18 ARG+ HN      6.00   # peak   2308
 16 LYS+ HG2    16 LYS+ HD2     4.02   # peak   1342
 16 LYS+ HG2    16 LYS+ HE2     6.00   # peak   1328
 16 LYS+ HG2    16 LYS+ HE3     4.86   # peak   1327
 16 LYS+ HG2    17 ASP- HN      6.00   # peak   2202
 16 LYS+ HG2    17 ASP- HA      6.00   # peak   2659
 16 LYS+ HD2    16 LYS+ HE2     6.00   # peak   1306
 16 LYS+ HD2    16 LYS+ HE3     3.83   # peak   1305
 16 LYS+ HD2    17 ASP- HA      6.00   # peak   2666
 17 ASP- HN     17 ASP- HA      3.45   # peak   1503
 17 ASP- HN     17 ASP- HB2     3.26   # peak   1741
 17 ASP- HN     17 ASP- HB3     3.23   # peak   1504
 17 ASP- HN     18 ARG+ HN      3.15   # peak   2210
 17 ASP- HN     18 ARG+ HA      4.63   # peak   2209
 17 ASP- HN     18 ARG+ HB2     4.94   # peak   2204
 17 ASP- HN     18 ARG+ HB3     5.85   # peak   2201
 17 ASP- HN     18 ARG+ HG3     6.00   # peak   2199
 17 ASP- HN     18 ARG+ HD3     4.44   # peak   2211
 17 ASP- HA     17 ASP- HB2     2.81   # peak   1730
 17 ASP- HA     17 ASP- HB3     2.58   # peak   1731
 17 ASP- HA     18 ARG+ HN      3.38   # peak   2315
 17 ASP- HA     53 GLN  HE22    6.00   # peak   2988
 17 ASP- HB2    17 ASP- HB3     2.28   # peak   1733
 17 ASP- HB3    18 ARG+ HN      3.53   # peak   2313
 17 ASP- HB3    18 ARG+ HA      5.00   # peak   2754 was 3.42 ov
 18 ARG+ HN     18 ARG+ HA      3.26   # peak   1074
 18 ARG+ HN     18 ARG+ HB2     2.96   # peak   1076
 18 ARG+ HN     18 ARG+ HB3     3.50   # peak   1077 was 3.26 ov
 18 ARG+ HN     18 ARG+ HG2     3.49   # peak   1075
 18 ARG+ HN     18 ARG+ HG3     4.40   # peak   1078
 18 ARG+ HN     18 ARG+ HD3     6.00   # peak   2457
 18 ARG+ HN     18 ARG+ HD2     4.14   # peak   2309
 18 ARG+ HN     18 ARG+ HE      5.62   # peak   2316
 18 ARG+ HN     19 VAL  HN      5.01   # peak   1892
 18 ARG+ HN     45 VAL  HB      6.00   # peak   2312
 18 ARG+ HN     45 VAL  QG2     7.03   # peak   2305
 18 ARG+ HN     45 VAL  QG1     7.03   # peak   2306
 18 ARG+ HN     46 PRO  HD2     6.00   # peak   2998
 18 ARG+ HA     18 ARG+ HB2     3.38   # peak   1098
 18 ARG+ HA     18 ARG+ HB3     3.45   # peak   2758
 18 ARG+ HA     18 ARG+ HG3     3.23   # peak   1079
 18 ARG+ HA     18 ARG+ HD2     4.67   # peak   2757
 18 ARG+ HA     18 ARG+ HE      6.00   # peak   2582
 18 ARG+ HA     19 VAL  HN      3.50   # peak   1861 was 3.38 ov with 52ha
 18 ARG+ HA     49 PHE  HA      5.00   # peak   2566 sov was 4.37
 18 ARG+ HA     49 PHE  HB2     5.24   # peak   2752
 18 ARG+ HA     49 PHE  HB3     6.00   # peak   2755
 18 ARG+ HA     49 PHE  HD1     6.00   # peak   2960 was 5.58 ov
 18 ARG+ HA     49 PHE  HD2     6.00   # peak   2965
 18 ARG+ HB2    18 ARG+ HB3     2.96   # peak   1102
 18 ARG+ HB2    18 ARG+ HG3     3.95   # peak   1084
 18 ARG+ HB2    18 ARG+ HD3     4.00   # peak   2763 was 3.76 sov
 18 ARG+ HB2    18 ARG+ HE      6.00   # peak   1110
 18 ARG+ HB2    19 VAL  HN      4.78   # peak   1863
 18 ARG+ HB2    20 ASP- HA      5.00   # peak   2718 was 3.99 ov
 18 ARG+ HB2    45 VAL  HA      5.43   # peak   2675
 18 ARG+ HB2    45 VAL  QG2     7.03   # peak   2768
 18 ARG+ HB2    46 PRO  HG2     5.43   # peak   2794
 18 ARG+ HB2    46 PRO  HD2     4.86   # peak   2809
 18 ARG+ HB2    46 PRO  HD3     4.25   # peak   2810
 18 ARG+ HB2    49 PHE  HA      6.00   # peak   2565
 18 ARG+ HB2    49 PHE  HB2     4.18   # peak   2575
 18 ARG+ HB2    49 PHE  HB3     5.13   # peak   2571
 18 ARG+ HB3    18 ARG+ HG2     3.64   # peak   1116
 18 ARG+ HB3    18 ARG+ HG3     4.06   # peak   1081
 18 ARG+ HB3    18 ARG+ HD3     3.99   # peak   1851
 18 ARG+ HB3    18 ARG+ HD2     3.99   # peak   2767
 18 ARG+ HB3    18 ARG+ HE      6.00   # peak   1111
 18 ARG+ HB3    19 VAL  HN      4.56   # peak   1862
 18 ARG+ HB3    45 VAL  HA      6.00   # peak   2673
 18 ARG+ HB3    45 VAL  QG2     7.03   # peak   2769
 18 ARG+ HB3    45 VAL  QG1     7.03   # peak   2770
 18 ARG+ HB3    49 PHE  HA      5.43   # peak   2558
 18 ARG+ HB3    49 PHE  HB3     4.29   # peak   2570
 18 ARG+ HG2    18 ARG+ HG3     2.85   # peak   1086
 18 ARG+ HG2    18 ARG+ HE      5.70   # peak   1109
 18 ARG+ HG2    19 VAL  HN      6.00   # peak   1864
 18 ARG+ HG2    49 PHE  HA      6.00   # peak   2559 was 4.37 ov
 18 ARG+ HG2    49 PHE  HB3     3.49   # peak   2572
 18 ARG+ HG2    49 PHE  HD1     5.39   # peak   2400
 18 ARG+ HG2    49 PHE  HD2     6.00   # peak   2405
 18 ARG+ HG3    18 ARG+ HD3     3.23   # peak   1082
 18 ARG+ HG3    18 ARG+ HD2     2.81   # peak   1083
 18 ARG+ HG3    18 ARG+ HE      6.00   # peak   1087
 18 ARG+ HG3    19 VAL  HN      6.00   # peak   1889
 18 ARG+ HG3    49 PHE  HB2     6.00   # peak   2576
 18 ARG+ HG3    49 PHE  HB3     6.00   # peak   2569
 18 ARG+ HG3    49 PHE  HZ      6.00   # peak   2978
 18 ARG+ HD3    18 ARG+ HD2     2.20   # peak   1119
 18 ARG+ HD3    18 ARG+ HE      6.00   # peak   1106
 18 ARG+ HD3    19 VAL  HN      6.00   # peak   1291
 18 ARG+ HD3    45 VAL  QG2     5.89   # peak   2759
 18 ARG+ HD3    45 VAL  QG1     7.03   # peak   2760 was 5.93 ov
 18 ARG+ HD3    49 PHE  HE1     6.00   # peak   2994
 18 ARG+ HD3    49 PHE  HD2     6.00   # peak   2369
 18 ARG+ HD2    18 ARG+ HE      6.00   # peak   1108
 18 ARG+ HD2    45 VAL  QG2     6.00   # peak   2764
 18 ARG+ HD2    45 VAL  QG1     7.03   # peak   2765 was 6.19 ov
 18 ARG+ HD2    47 TRP  HA      6.00   # peak   2607
## 18 ARG+ HD2    47 TRP  HD1     6.50   # peak   2974 was 4.89 ov
 18 ARG+ HD2    49 PHE  HA      5.16   # peak   2560
 18 ARG+ HD2    49 PHE  HB3     3.49   # peak   2573
 18 ARG+ HE     45 VAL  QG2     7.03   # peak   2578
 19 VAL  HN     19 VAL  HA      3.68   # peak     49
 19 VAL  HN     19 VAL  HB      3.64   # peak    133
 19 VAL  HN     19 VAL  QG1     5.66   # peak     48
 19 VAL  HN     19 VAL  QG2     5.66   # peak     47
 19 VAL  HN     20 ASP- HN      5.51   # peak   1894
 19 VAL  HN     20 ASP- HB3     6.00   # peak   1253
 19 VAL  HN     49 PHE  HA      6.00   # peak   1255
 19 VAL  HN     49 PHE  HB2     6.00   # peak   1866
 19 VAL  HN     50 LYS+ HN      6.00   # peak   1293
 19 VAL  HN     52 LEU  HA      6.00   # ov with 18ha
 19 VAL  HA     19 VAL  HB      3.11   # peak     50
 19 VAL  HA     19 VAL  QG1     3.68   # peak     23
 19 VAL  HA     19 VAL  QG2     3.57   # peak     20
 19 VAL  HA     20 ASP- HN      3.50   # peak   1986 was 2.54 ov
 19 VAL  HA     20 ASP- HB2     4.40   # peak   2812
 19 VAL  HA     20 ASP- HB3     6.00   # peak   2811
 19 VAL  HA     46 PRO  HG3     6.00   # peak   2813
 19 VAL  HB     19 VAL  QG1     3.34   # peak     16
 19 VAL  HB     19 VAL  QG2     3.65   # peak     85
 19 VAL  HB     20 ASP- HN      3.72   # peak   1979
 19 VAL  HB     49 PHE  HA      5.92   # peak   2561
 19 VAL  QG1    50 LYS+ HN      7.03   # peak   1608
 19 VAL  QG2    20 ASP- HN      4.44   # peak   1975
 19 VAL  QG2    20 ASP- HA      6.34   # peak   2727
 19 VAL  QG2    21 CYSS HN      7.03   # peak   1942
 19 VAL  QG2    21 CYSS HA      5.74   # peak   2732
 19 VAL  QG2    49 PHE  HA      7.03   # peak   2557
 19 VAL  QG2    49 PHE  HB3     5.58   # peak   2577
 20 ASP- HN     20 ASP- HA      3.34   # peak   1508
 20 ASP- HN     20 ASP- HB2     2.85   # peak   1509
 20 ASP- HN     20 ASP- HB3     3.50   # peak   1510
 20 ASP- HN     21 CYSS HN      4.67   # peak   1952
 20 ASP- HN     46 PRO  HB2     6.00   # peak   1980
 20 ASP- HN     46 PRO  HB3     6.00   # peak   1976
 20 ASP- HN     46 PRO  HG2     5.24   # peak   1978
 20 ASP- HN     46 PRO  HG3     5.16   # peak   1977
 20 ASP- HN     46 PRO  HD2     6.00   # peak   1984
 20 ASP- HN     46 PRO  HD3     6.00   # peak   1982
 20 ASP- HN     49 PHE  HA      5.35   # peak   1985
 20 ASP- HN     49 PHE  HB2     6.00   # peak   1981
 20 ASP- HN     49 PHE  HB3     6.00   # peak ov with 1510
 20 ASP- HA     20 ASP- HB2     3.15   # peak   1506
 20 ASP- HA     20 ASP- HB3     2.66   # peak   1507
 20 ASP- HA     21 CYSS HN      2.73   # peak   1940
 20 ASP- HA     22 GLY  HN      3.53   # peak   1962
 20 ASP- HA     46 PRO  HB2     3.87   # peak   2723
 20 ASP- HA     46 PRO  HB3     3.95   # peak   2719
 20 ASP- HA     46 PRO  HG2     3.99   # peak   2721
 20 ASP- HA     46 PRO  HG3     4.56   # peak   2720
 20 ASP- HA     49 PHE  HA      3.00   # peak   2568
 20 ASP- HA     49 PHE  HB2     4.90   # peak   2717
 20 ASP- HB2    20 ASP- HB3     2.20   # peak   1516
 20 ASP- HB2    21 CYSS HN      4.21   # peak   1937
 20 ASP- HB2    22 GLY  HN      4.59   # peak   1958
 20 ASP- HB2    46 PRO  HA      5.39   # peak   2808
 20 ASP- HB2    46 PRO  HB2     3.95   # peak   2725
 20 ASP- HB2    46 PRO  HG2     4.29   # peak   2724
 20 ASP- HB3    21 CYSS HN      6.00   # peak   1337
 20 ASP- HB3    22 GLY  HN      6.00   # peak   1371
 20 ASP- HB3    46 PRO  HA      6.00   # peak   2807 was 4.63 ov
 20 ASP- HB3    46 PRO  HD2     5.73   # peak   2795
 20 ASP- HB3    46 PRO  HD3     5.89   # peak   2796
 21 CYSS HN     21 CYSS HA      3.38   # peak   1456
 21 CYSS HN     21 CYSS HB3     3.15   # peak   1457
 21 CYSS HN     21 CYSS HB2     3.23   # peak   1458
 21 CYSS HN     22 GLY  QA      5.43   # peak   1954
 21 CYSS HN     23 TYR  HN      6.00   # peak   1950
 21 CYSS HN     23 TYR  HB2     6.00   # peak   2948
 21 CYSS HN     23 TYR  QD      8.14   # peak   1949
 21 CYSS HN     46 PRO  HB2     6.00   # peak   1345
 21 CYSS HN     46 PRO  HB3     6.00   # peak   1343
 21 CYSS HN     46 PRO  HG3     6.00   # peak   1344
 21 CYSS HN     48 CYSS HA      6.00   # peak   2985
 21 CYSS HN     48 CYSS HB2     6.00   # peak   1939
 21 CYSS HN     49 PHE  HN      6.00   # peak   1910
 21 CYSS HN     49 PHE  HA      3.11   # peak   1947
 21 CYSS HN     49 PHE  HB2     5.73   # peak   1938
 21 CYSS HN     50 LYS+ HN      4.40   # peak   1951
 21 CYSS HN     50 LYS+ HB2     6.00   # peak   1955
 21 CYSS HA     21 CYSS HB3     2.70   # peak   1416 was 2.66 sov
 21 CYSS HA     21 CYSS HB2     2.81   # peak   1417
 21 CYSS HA     22 GLY  HN      3.72   # peak   1961
 21 CYSS HA     49 PHE  HA      4.48   # peak   2567
 21 CYSS HA     50 LYS+ HN      5.28   # peak   2061
 21 CYSS HA     50 LYS+ HG2     3.23   # peak   2734
 21 CYSS HA     50 LYS+ HG3     3.23   # peak   2733
 21 CYSS HA     50 LYS+ HE3     3.99   # peak   2735
 21 CYSS HB3    21 CYSS HB2     2.50   # peak   1418
 21 CYSS HB3    22 GLY  HN      5.00   # peak   1960 was 3.95 ov
 21 CYSS HB3    23 TYR  QD      8.14   # peak   2488
 21 CYSS HB3    23 TYR  QE      8.13   # peak   2489
 21 CYSS HB3    49 PHE  HN      6.00   # peak   1913
 21 CYSS HB3    49 PHE  HA      4.18   # peak   2564
 21 CYSS HB2    22 GLY  HN      3.87   # peak   1959
 21 CYSS HB2    23 TYR  HN      6.00   # peak   2995
 21 CYSS HB2    23 TYR  QD      8.14   # peak   2484
 21 CYSS HB2    23 TYR  QE      8.13   # peak   2485
 21 CYSS HB2    49 PHE  HN      6.00   # peak   1912
 21 CYSS HB2    49 PHE  HA      5.01   # peak   2563
 21 CYSS HB2    50 LYS+ HN      5.73   # peak   2063
 22 GLY  HN     22 GLY  QA      3.99   # peak   1518
 22 GLY  HN     23 TYR  HN      3.42   # peak   1964
 22 GLY  HN     23 TYR  HA      6.00   # peak   1968
 22 GLY  HN     23 TYR  HB3     6.00   # peak   2950
 22 GLY  HN     23 TYR  HB2     6.00   # peak   2949
 22 GLY  HN     23 TYR  QD      8.14   # peak   1965
 22 GLY  HN     26 VAL  QG2     6.00   # peak   1956 miss was 37hb2
 22 GLY  HN     48 CYSS HB2     6.00   # peak   2944
 22 GLY  HN     49 PHE  HA      4.29   # peak   1966
 22 GLY  QA     23 TYR  HN      4.25   # peak   2254
 22 GLY  QA     23 TYR  HA      6.88   # peak   2624
 22 GLY  QA     23 TYR  QD      9.02   # peak   2491
 22 GLY  QA     48 CYSS HN      6.88   # peak   2946
 23 TYR  HN     23 TYR  HA      3.64   # peak   1487
 23 TYR  HN     23 TYR  HB3     4.14   # peak   1488
 23 TYR  HN     23 TYR  HB2     3.53   # peak   1489
 23 TYR  HN     23 TYR  QD      6.77   # peak   2358
 23 TYR  HN     26 VAL  HB      6.00   # peak   2414
 23 TYR  HN     26 VAL  QG2     5.70   # peak   2253
 23 TYR  HA     23 TYR  HB3     2.54   # peak   1493 
 23 TYR  HA     23 TYR  HB2     2.90   # peak   1494 was 2.58 ov
 23 TYR  HA     23 TYR  QD      7.19   # peak   2348
 23 TYR  HA     23 TYR  QE      8.13   # peak   2497
 23 TYR  HA     24 PRO  HG2     5.00   # peak   2622 was 4.18 ov
 23 TYR  HA     24 PRO  HG3     5.00   # peak   2621 was 3.83 ov
 23 TYR  HA     24 PRO  HD2     2.20   # peak   2625
 23 TYR  HA     26 VAL  QG1     6.53   # peak   2619
 23 TYR  HA     26 VAL  QG2     7.03   # peak   2618 was 5.93 ov
 23 TYR  HB3    23 TYR  HB2     2.20   # peak   1497
 23 TYR  HB3    23 TYR  QD      7.23   # peak   2487
 23 TYR  HB3    23 TYR  QE      8.13   # peak   2486
 23 TYR  HB3    24 PRO  HD2     3.30   # peak   2613 
 23 TYR  HB3    24 PRO  HD3     4.44   # peak   2874
 23 TYR  HB2    23 TYR  QD      7.23   # peak   2490
 23 TYR  HB2    23 TYR  QE      8.13   # peak   2482
 23 TYR  HB2    24 PRO  HD2     3.30   # peak   2614 was 2.62 ov
 23 TYR  HB2    24 PRO  HD3     5.00   # peak   2875 was 3.34 ov
 23 TYR  QD     23 TYR  QE      7.35   # peak   1033
 23 TYR  QD     26 VAL  HA      8.14   # peak   2495
 23 TYR  QD     26 VAL  HB      8.14   # peak   2477
 23 TYR  QD     26 VAL  QG1     9.17   # peak   2467
 23 TYR  QD     26 VAL  QG2     9.17   # peak   2466
 23 TYR  QD     31 CYSS HA      8.14   # peak   2493
 23 TYR  QD     34 ARG+ HB2     8.14   # peak   2474
 23 TYR  QD     34 ARG+ HB3     8.14   # peak   2478
 23 TYR  QD     34 ARG+ HG2     8.14   # peak   2473
 23 TYR  QD     34 ARG+ HG3     8.14   # peak   2470
 23 TYR  QD     34 ARG+ HD3     8.14   # peak   2480
 23 TYR  HE1    24 PRO  HD2     6.00   # peak   2966
 23 TYR  HE1    24 PRO  HD3     6.00   # peak   2967
 23 TYR  QE     26 VAL  HB      8.13   # peak   2476
 23 TYR  QE     26 VAL  QG1     9.16   # peak   2469
 23 TYR  QE     26 VAL  QG2     9.16   # peak   2468
 23 TYR  QE     27 THR  HN      8.13   # peak   2245
 23 TYR  HE1    30 GLU- QG      6.88   # peak   2977
 23 TYR  QE     31 CYSS HA      8.13   # peak   2494
 23 TYR  QE     34 ARG+ HA      8.13   # peak   2496
 23 TYR  QE     34 ARG+ HB2     8.13   # peak   2475
 23 TYR  QE     34 ARG+ HB3     8.13   # peak   2479
 23 TYR  QE     34 ARG+ HG2     8.13   # peak   2472
 23 TYR  QE     34 ARG+ HG3     8.13   # peak   2471
 23 TYR  QE     34 ARG+ HD3     8.13   # peak   2481
 24 PRO  HG2    24 PRO  HD2     2.47   # peak   2616
 24 PRO  HG2    25 HIS+ HD2     5.66   # peak   2517
 24 PRO  HG3    24 PRO  HD2     2.20   # peak   2615
 24 PRO  HG3    24 PRO  HD3     3.68   # peak   2876
 24 PRO  HG3    25 HIS+ HD2     6.00   # peak   2516
 24 PRO  HD2    25 HIS+ HD2     6.00   # peak   2521
 24 PRO  HD2    26 VAL  QG2     6.00   # peak   2882 ov was 5.85
 24 PRO  HD3    26 VAL  QG1     6.00   # peak   2881 ov was 4.67
 24 PRO  HD3    26 VAL  QG2     5.00   # peak   2880 ov was 4.14
## 24 PRO  HD3    48 CYSS HB2     6.00   # peak   2879 was 3.99 ov remove temp
 25 HIS+ HN     25 HIS+ HA      4.14   # peak   1725
 25 HIS+ HN     25 HIS+ HB3     5.05   # peak   1724
 25 HIS+ HA     25 HIS+ HB2     3.72   # peak   1809
 25 HIS+ HA     25 HIS+ HB3     2.43   # peak   1807
 25 HIS+ HA     25 HIS+ HD2     5.05   # peak   2524
 25 HIS+ HA     25 HIS+ HE1     6.50   # peak   2528 +0.5 as HIS
 25 HIS+ HA     26 VAL  HN      3.15   # peak   2285
 25 HIS+ HB3    25 HIS+ HD2     3.26   # peak   2520
 25 HIS+ HB3    25 HIS+ HE1     6.00   # peak   2525
 25 HIS+ HD2    25 HIS+ HE1     6.00   # peak   2529
 25 HIS+ HD2    26 VAL  QG2     7.03   # peak   2512
 25 HIS+ HD2    31 CYSS HA      6.00   # peak   2522
 25 HIS+ HD2    34 ARG+ HB3     4.37   # peak   2518
 25 HIS+ HD2    34 ARG+ HG2     4.02   # peak   2515
 25 HIS+ HD2    34 ARG+ HG3     6.00   # peak   2527
 25 HIS+ HE1    34 ARG+ HB3     6.00   # peak   2514
 25 HIS+ HE1    34 ARG+ HG2     6.00   # peak   2513
 26 VAL  HN     26 VAL  HA      3.19   # peak   1732
 26 VAL  HN     26 VAL  HB      3.50   # peak   1733 was 3.11 ov
 26 VAL  HN     26 VAL  QG2     3.91   # peak   1734
 26 VAL  HA     26 VAL  HB      2.35   # peak   2744
 26 VAL  HA     26 VAL  QG1     3.57   # peak     40
 26 VAL  HA     26 VAL  QG2     3.65   # peak     39
 26 VAL  HA     27 THR  HN      2.88   # peak   2239
 26 VAL  HA     38 PHE  HE1     6.00   # peak   2949
 26 VAL  HB     26 VAL  QG1     3.76   # peak      8
 26 VAL  HB     26 VAL  QG2     3.57   # peak      9
 26 VAL  HB     31 CYSS HN      5.00   # peak   2082 was 4.48 ov
 26 VAL  HB     38 PHE  HE1     6.00   # peak   2972
 26 VAL  QG1    26 VAL  QG2     5.74   # peak     11
 26 VAL  QG1    27 THR  HN      4.90   # peak   2240
 26 VAL  QG1    28 PRO  HA      7.03   # peak   2893 was 6.08 ov
 26 VAL  QG1    31 CYSS HN      4.98   # peak   2080
 26 VAL  QG1    31 CYSS HA      5.36   # peak   2841
 26 VAL  QG1    31 CYSS HB2     3.91   # peak   2554
 26 VAL  QG1    31 CYSS HB3     7.03   # peak   2843 ov was 4.37 
 26 VAL  QG1    47 TRP  HD1     6.00   # peak   2388 was 5.20 ov
 26 VAL  QG2    31 CYSS HA      7.03   # peak   2842
 26 VAL  QG2    31 CYSS HB2     4.29   # peak   2556
 26 VAL  QG2    31 CYSS HB3     4.98   # peak   2844
 26 VAL  QG2    38 PHE  QD      7.71   # peak   2378
 26 VAL  QG2    38 PHE  QE      7.67   # peak   2437
 26 VAL  QG2    38 PHE  HZ      5.20   # peak   2438
 26 VAL  QG2    47 TRP  HA      7.03   # peak   2605
 26 VAL  QG2    47 TRP  HB3     7.03   # peak   2611
 26 VAL  QG2    47 TRP  HE3     6.69   # peak   2215
 26 VAL  QG2    48 CYSS HB2     3.38   # peak   2532 
 26 VAL  QG2    48 CYSS HB3     3.30   # peak   2533 
 27 THR  HN     27 THR  HA      3.38   # peak   2238
 27 THR  HN     27 THR  HB      4.52   # peak   2237
 27 THR  HN     27 THR  QG2     7.03   # peak   2402
 27 THR  HN     30 GLU- HA      6.00   # peak   2993
 27 THR  HN     30 GLU- HB2     6.00   # peak   2405
 27 THR  HN     30 GLU- HB3     6.00   # peak   2403
 27 THR  HN     30 GLU- QG      6.88   # peak   2244
 27 THR  HA     27 THR  QG2     3.42   # peak   2698
 27 THR  HA     28 PRO  HD2     5.00   # peak   2700 was 2.47 in water 
 27 THR  HA     28 PRO  HD3     2.39   # peak   2699
 27 THR  HA     38 PHE  QD      8.12   # peak   2463
 27 THR  HA     38 PHE  QE      8.12   # peak   2464
 27 THR  HA     38 PHE  HZ      6.00   # peak   2465
 27 THR  HB     28 PRO  HD2     2.66   # peak   2702
 27 THR  HB     28 PRO  HD3     2.92   # peak   2701
 27 THR  QG2    28 PRO  HD2     4.60   # peak   2887
 27 THR  QG2    28 PRO  HD3     4.25   # peak   2890
 27 THR  QG2    30 GLU- HN      7.03   # peak   2424
 27 THR  QG2    30 GLU- HA      5.47   # peak   2830
 27 THR  QG2    30 GLU- QG      7.90   # peak   2837
 27 THR  QG2    38 PHE  HE1     7.03   # peak   2973
 27 THR  QG2    38 PHE  HZ      7.03   # peak   2442
 28 PRO  HA     28 PRO  HB2     2.58   # peak    314
 28 PRO  HA     28 PRO  HG3     3.68   # peak   2892
 28 PRO  HA     30 GLU- HN      4.78   # peak   2264
 28 PRO  HA     31 CYSS HN      6.00   # peak   1684
 28 PRO  HA     32 ASN  HN      6.00   # peak   1790
 28 PRO  HA     38 PHE  HB3     2.66   # peak   1830
 28 PRO  HA     38 PHE  HB2     3.99   # peak   2894
 28 PRO  HA     38 PHE  QE      6.98   # peak   2458
 28 PRO  HA     38 PHE  HZ      4.94   # peak   2961
 28 PRO  HB2    28 PRO  HG3     3.04   # peak    280
 28 PRO  HB2    28 PRO  HD2     3.80   # peak    177
 28 PRO  HB2    28 PRO  HD3     3.61   # peak    279
 28 PRO  HB2    29 LYS+ HN      5.00   # peak   2221 was 3.38 ov
 28 PRO  HB2    38 PHE  QD      6.56   # peak   2379
 28 PRO  HB2    38 PHE  QE      7.40   # peak   2439
 28 PRO  HB2    38 PHE  HZ      6.00   # peak   2970
 28 PRO  HB3    28 PRO  HG3     3.04   # peak    183
##28 PRO  QB     32 ASN  HA      6.00   # peak   2629 remove temp
 28 PRO  HG2    28 PRO  HG3     2.28   # peak    175
 28 PRO  HG2    28 PRO  HD2     3.45   # peak    178
 28 PRO  HG2    28 PRO  HD3     2.50   # peak    288
 28 PRO  HG2    38 PHE  QD      7.86   # peak   2380
 28 PRO  HG2    38 PHE  QE      7.70   # peak   2440
 28 PRO  HG2    38 PHE  HZ      5.43   # peak   2441
 28 PRO  HG3    28 PRO  HD2     3.80   # peak    167
 28 PRO  HG3    28 PRO  HD3     3.42   # peak    165
 28 PRO  HG3    29 LYS+ HN      6.00   # peak   2219
 28 PRO  HG3    38 PHE  QD      8.12   # peak   2436
 28 PRO  HG3    38 PHE  QE      7.25   # peak   2435
 28 PRO  HG3    38 PHE  HZ      5.51   # peak   2434
## 28 PRO  HG3    47 TRP  HZ2     6.00   # peak   2969 miss
 28 PRO  HD2    28 PRO  HD3     2.28   # peak    184
 28 PRO  HD2    29 LYS+ HN      4.94   # peak   2224
 28 PRO  HD2    38 PHE  HE1     5.47   # peak   2958
 28 PRO  HD2    38 PHE  HZ      6.00   # peak   2962
 28 PRO  HD3    29 LYS+ HN      4.86   # peak   2223
 28 PRO  HD3    29 LYS+ HA      5.77   # peak   2854
 28 PRO  HD3    38 PHE  QD      6.30   # peak   2383
 29 LYS+ HN     29 LYS+ HA      3.26   # peak   1277
 29 LYS+ HN     29 LYS+ HB2     3.15   # peak   1278
 29 LYS+ HN     29 LYS+ HB3     3.11   # peak   1282
 29 LYS+ HN     30 GLU- HN      3.45   # peak   2226
 29 LYS+ HN     31 CYSS HN      4.44   # peak   2091
 29 LYS+ HN     30 GLU- HB2     6.00   # peak   2999
 29 LYS+ HN     30 GLU- HB3     6.00   # peak   3000
 29 LYS+ HN     32 ASN  QB      6.88   # peak   2382
 29 LYS+ HA     29 LYS+ HB2     2.62   # peak   1289
 29 LYS+ HA     29 LYS+ HB3     3.30   # peak   1291 was 2.62 ov
 29 LYS+ HA     29 LYS+ HG2     3.30   # peak   1292
 29 LYS+ HA     29 LYS+ HG3     3.99   # peak   1293
 29 LYS+ HA     29 LYS+ HD2     3.26   # peak   1290
 29 LYS+ HA     29 LYS+ QE      6.69   # peak   1288
 29 LYS+ HA     32 ASN  HN      3.38   # peak   2847
## 29 LYS+ HA     32 ASN  HA      3.91   # peak   2634 temp remove
 29 LYS+ HA     32 ASN  QB      3.91   # peak   2846
 29 LYS+ HB2    29 LYS+ HB3     2.43   # peak   2848
 29 LYS+ HB2    29 LYS+ QE      6.88   # peak   1270
 29 LYS+ HB3    29 LYS+ QE      6.88   # peak   1295
 29 LYS+ HB3    30 GLU- HN      3.34   # peak   2262
 29 LYS+ HG2    29 LYS+ QE      6.15   # peak   1271
 29 LYS+ HG3    29 LYS+ QE      6.53   # peak   1276
 29 LYS+ HD2    29 LYS+ QE      5.39   # peak   1268
 29 LYS+ HD2    30 GLU- HA      4.44   # peak   2845
 30 GLU- HN     30 GLU- HA      3.15   # peak   1620
 30 GLU- HN     30 GLU- HB2     3.23   # peak   2263
 30 GLU- HN     30 GLU- HB3     3.19   # peak   1622
 30 GLU- HN     30 GLU- QG      5.39   # peak   1621
 30 GLU- HN     31 CYSS HN      3.11   # peak   2090
 30 GLU- HN     31 CYSS HA      5.00   # peak   2266 ov was 3.91
 30 GLU- HN     31 CYSS HB2     6.00   # peak   2267 sov was 4.02
 30 GLU- HN     31 CYSS HB3     6.00   # peak   2265 sov was 4.25
 30 GLU- HA     30 GLU- HB2     2.62   # peak   2827
 30 GLU- HA     30 GLU- HB3     2.85   # peak   1628
 30 GLU- HA     30 GLU- QG      5.47   # peak   1630
 30 GLU- HA     31 CYSS HN      3.95   # peak   2088
 30 GLU- HA     32 ASN  HN      5.20   # peak   2121
 30 GLU- HA     33 ASN  HN      3.42   # peak   2017
 30 GLU- HA     33 ASN  HB3     2.77   # peak   2829
 30 GLU- HA     33 ASN  HB2     3.00   # peak   2828
 30 GLU- HB3    33 ASN  HN      4.78   # peak   2025
 31 CYSS HN     31 CYSS HA      3.00   # peak   1633
 31 CYSS HN     31 CYSS HB2     3.50   # peak    391 was 2.85 ov
 31 CYSS HN     31 CYSS HB3     2.92   # peak   1648
 31 CYSS HN     32 ASN  HN      3.38   # peak   2092
 31 CYSS HN     32 ASN  QB      5.20   # peak   2086
 31 CYSS HN     33 ASN  HN      6.00   # peak   2022
 31 CYSS HN     38 PHE  HB2     6.00   # peak   2085
 31 CYSS HN     38 PHE  QD      8.12   # peak   2089
 31 CYSS HA     31 CYSS HB2     3.04   # peak   1413
 31 CYSS HA     31 CYSS HB3     2.81   # peak   1412
 31 CYSS HA     32 ASN  HN      3.38   # peak   2120
 31 CYSS HA     33 ASN  HN      3.53   # peak   2029
 31 CYSS HA     34 ARG+ HN      6.00   # peak   2432
 31 CYSS HA     36 CYSS HN      6.00   # peak   2994
 31 CYSS HA     38 PHE  HB2     5.13   # peak   2838
 31 CYSS HA     38 PHE  QD      7.78   # peak   2386
 31 CYSS HA     38 PHE  HE1     6.00   # peak   2959
 31 CYSS HA     48 CYSS HA      6.00   # peak   2534
 31 CYSS HB2    31 CYSS HB3     2.28   # peak   1655
 31 CYSS HB2    32 ASN  HN      5.00   # peak   2117 was 3.30 ov
## 31 CYSS HB2    32 ASN  HA      5.00   # peak   2631 was 4.56 bad volumn remove temp
 31 CYSS HB3    32 ASN  HN      3.11   # peak   2119
 31 CYSS HB3    32 ASN  HA      4.97   # peak   2632
 31 CYSS HB3    38 PHE  HB2     3.83   # peak   2839
 31 CYSS HB3    38 PHE  QD      6.15   # peak   2384
 32 ASN  HN     32 ASN  HA      3.23   # peak   1590
 32 ASN  HN     32 ASN  QB      3.91   # peak   1594
 32 ASN  HN     33 ASN  HN      3.26   # peak   2020
 32 ASN  HN     33 ASN  HA      5.09   # peak   2122
 32 ASN  HN     33 ASN  HB3     5.16   # peak   2129
 32 ASN  HN     34 ARG+ HN      4.06   # peak   2123
 32 ASN  HN     36 CYSS HN      6.00   # peak   2124
 32 ASN  HN     38 PHE  HB2     6.00   # peak   2128
 32 ASN  HA     32 ASN  QB      3.76   # peak   1589
 32 ASN  HA     33 ASN  HN      3.76   # peak   2021
 32 ASN  HA     33 ASN  HB3     6.00   # peak   2630
 32 ASN  HA     34 ARG+ HN      4.67   # peak   2272
 32 ASN  HA     35 GLY  HN      3.80   # peak   2165
 32 ASN  HA     35 GLY  HA2     4.71   # peak   2633
 32 ASN  HA     36 CYSS HN      3.76   # peak   2235
 32 ASN  HA     37 CYSS HA      5.43   # peak   2635
# 32 ASN  HA     42 ILE  QG2     7.03   # peak   2628
 32 ASN  QB     33 ASN  HN      6.88   # peak   1484
 32 ASN  QB     36 CYSS HN      4.94   # peak   2231
# 32 ASN  QB     42 ILE  QG2     7.90   # peak   2637
 33 ASN  HN     33 ASN  HA      2.96   # peak   1477
 33 ASN  HN     33 ASN  HB3     2.92   # peak   1475
 33 ASN  HN     33 ASN  HB2     3.19   # peak   1476
 33 ASN  HN     34 ARG+ HN      3.11   # peak   2018
 33 ASN  HN     34 ARG+ HA      4.94   # peak   2026
 33 ASN  HN     34 ARG+ HB2     4.48   # peak   2024
 33 ASN  HN     34 ARG+ HG3     6.00   # peak   2023
 33 ASN  HN     35 GLY  HN      4.37   # peak   2019
 33 ASN  HN     35 GLY  HA2     5.00   # peak   2028 was 4.44 ov
 33 ASN  HA     33 ASN  HB3     3.04   # peak   1481
 33 ASN  HA     33 ASN  HB2     2.47   # peak   1482
 33 ASN  HA     34 ARG+ HN      3.83   # peak   2270
 33 ASN  HA     35 GLY  HN      5.00   # peak   2164 was 3.95 ov
 33 ASN  HA     36 CYSS HN      5.16   # peak   2234
 33 ASN  HB3    33 ASN  HB2     2.20   # peak   1485
 33 ASN  HB3    34 ARG+ HN      3.64   # peak   2268
 33 ASN  HB2    34 ARG+ HN      3.80   # peak   2274
 34 ARG+ HN     34 ARG+ HA      3.34   # peak   1169
 34 ARG+ HN     34 ARG+ HB2     3.15   # peak   1166
 34 ARG+ HN     34 ARG+ HB3     3.34   # peak   1165
 34 ARG+ HN     34 ARG+ HG2     4.21   # peak   1167
 34 ARG+ HN     34 ARG+ HG3     4.82   # peak   1168
 34 ARG+ HN     34 ARG+ HD2     5.54   # peak   1163
 34 ARG+ HN     34 ARG+ HD3     6.00   # peak   1164
 34 ARG+ HN     35 GLY  HN      3.00   # peak   2166
 34 ARG+ HN     35 GLY  HA2     4.44   # peak   2273
 34 ARG+ HN     36 CYSS HN      6.00   # peak   2437
 34 ARG+ HA     34 ARG+ HB2     3.15   # peak   1179
 34 ARG+ HA     34 ARG+ HB3     2.58   # peak   1178
 34 ARG+ HA     34 ARG+ HG2     3.34   # peak   1180
 34 ARG+ HA     34 ARG+ HG3     4.14   # peak   1181
 34 ARG+ HA     34 ARG+ HD2     3.49   # peak   1176
 34 ARG+ HA     34 ARG+ HD3     3.87   # peak   1177
 34 ARG+ HA     35 GLY  HN      3.45   # peak   2163
 34 ARG+ HA     36 CYSS HN      6.00   # peak   2992
 34 ARG+ HB2    34 ARG+ HB3     2.62   # peak   1200
 34 ARG+ HB2    34 ARG+ HG3     2.47   # peak   1210
 34 ARG+ HB2    34 ARG+ HD2     4.21   # peak   1193
 34 ARG+ HB2    34 ARG+ HD3     3.99   # peak   1186
 34 ARG+ HB2    34 ARG+ HE      6.00   # peak   1220
 34 ARG+ HB2    35 GLY  HN      4.10   # peak   2159
 34 ARG+ HB2    36 CYSS HN      6.00   # peak   2229 was 4.44 ov
 34 ARG+ HB3    34 ARG+ HG2     2.35   # peak   1136
 34 ARG+ HB3    34 ARG+ HG3     2.85   # peak   1201
 34 ARG+ HB3    34 ARG+ HD2     3.34   # peak   1192
 34 ARG+ HB3    34 ARG+ HD3     3.95   # peak   1185
 34 ARG+ HB3    34 ARG+ HE      6.00   # peak   1219
 34 ARG+ HB3    36 CYSS HN      6.00   # peak   2230 was 4.86 ov
 34 ARG+ HG2    34 ARG+ HD2     3.64   # peak   1194
 34 ARG+ HG2    34 ARG+ HD3     3.68   # peak   1187
 34 ARG+ HG2    34 ARG+ HE      6.00   # peak   1221
 34 ARG+ HG2    35 GLY  HN      6.00   # peak   1843
 34 ARG+ HG3    34 ARG+ HD2     3.72   # peak   1195
 34 ARG+ HG3    34 ARG+ HD3     3.53   # peak   1188
 34 ARG+ HG3    34 ARG+ HE      6.00   # peak   1222
 34 ARG+ HD2    34 ARG+ HE      6.00   # peak   1217
 34 ARG+ HD3    34 ARG+ HE      6.00   # peak   1218
 35 GLY  HN     35 GLY  HA1     2.77   # peak   1378
 35 GLY  HN     35 GLY  HA2     2.69   # peak   1377
 35 GLY  HN     36 CYSS HN      3.00   # peak   2167
 35 GLY  HN     36 CYSS HB2     4.18   # peak   2160
 35 GLY  HN     36 CYSS HB3     4.78   # peak   2161
 35 GLY  HA1    35 GLY  HA2     2.50   # peak   1373
 35 GLY  HA1    36 CYSS HN      3.95   # peak   2227
 35 GLY  HA2    36 CYSS HN      3.72   # peak   2233
 35 GLY  HA2    37 CYSS HN      6.00   # peak   2006 was 4.59 ov
# 35 GLY  HA2    37 CYSS HA      6.00   # peak   1799 was 2.77 ov
 36 CYSS HN     36 CYSS HA      2.62   # peak   1691
 36 CYSS HN     36 CYSS HB2     3.42   # peak   1675
 36 CYSS HN     36 CYSS HB3     3.72   # peak   1674
 36 CYSS HN     37 CYSS HN      4.75   # peak   2012
 36 CYSS HA     36 CYSS HB2     2.88   # peak   1677
 36 CYSS HA     36 CYSS HB3     3.57   # peak   1676
 36 CYSS HA     37 CYSS HN      4.10   # peak   2007
## 36 CYSS HA     49 PHE  HN      6.00   # peak   1902 was 5.58 bad volumn - remove temp
 36 CYSS HB2    36 CYSS HB3     2.35   # peak   1685
 36 CYSS HB2    37 CYSS HN      3.23   # peak   2014
 36 CYSS HB2    50 LYS+ HA      5.00   # peak   2706 in water was 3.99
 36 CYSS HB3    37 CYSS HN      3.38   # peak   2013
 36 CYSS HB3    49 PHE  HN      6.00   # peak   1898
 36 CYSS HB3    50 LYS+ HN      6.00   # peak   2979
 36 CYSS HB3    50 LYS+ HA      4.21   # peak   2705
 37 CYSS HN     37 CYSS HA      3.68   # peak   1568
 37 CYSS HN     37 CYSS HB2     3.38   # peak   1569
 37 CYSS HN     37 CYSS HB3     3.61   # peak   1570
 37 CYSS HN     48 CYSS HA      6.00   # peak   2009 was 4.75 ov
 37 CYSS HN     49 PHE  HN      3.91   # peak   1907
 37 CYSS HN     49 PHE  HA      6.00   # peak   2010
 37 CYSS HN     51 PRO  HD2     5.77   # peak   2945
 37 CYSS HA     37 CYSS HB2     2.85   # peak   1608
 37 CYSS HA     37 CYSS HB3     3.11   # peak   1607
 37 CYSS HA     38 PHE  HN      2.92   # peak   1723
# 37 CYSS HA     39 ASP- HN      6.00   # peak   2980 spin
# 37 CYSS HA     42 ILE  QG2     7.03   # peak   2816
# 37 CYSS HA     42 ILE  QD1     4.71   # peak   2815
 37 CYSS HA     48 CYSS HA      6.00   # peak   2535
 37 CYSS HA     49 PHE  HN      6.00   # peak   1900
 37 CYSS HB2    37 CYSS HB3     3.26   # peak   1609
 37 CYSS HB2    38 PHE  HN      3.99   # peak   2042
 37 CYSS HB2    38 PHE  HA      4.18   # peak   2548
 37 CYSS HB2    39 ASP- HN      5.66   # peak   1914
 37 CYSS HB2    48 CYSS HA      4.14   # peak   2531
 37 CYSS HB2    49 PHE  HN      6.00   # peak   1878
 37 CYSS HB3    38 PHE  HN      4.02   # peak   2043
 37 CYSS HB3    38 PHE  HA      6.00   # peak   2551
# 37 CYSS HB3    42 ILE  QD1     6.00   # peak   2818
 37 CYSS HB3    48 CYSS HA      6.00   # peak   2537
 37 CYSS HB3    49 PHE  HN      6.00   # peak   1895
 37 CYSS HB3    49 PHE  HD1     5.62   # peak   2409
 37 CYSS HB3    49 PHE  HZ      3.72   # peak   2408
 37 CYSS N      49 PHE  O       3.30   # hydrogen bond
 37 CYSS HN     49 PHE  O       2.30   # hydrogen bond
 37 CYSS O      49 PHE  N       3.30   # hydrogen bond
 37 CYSS O      49 PHE  HN      2.30   # hydrogen bond
 38 PHE  HN     38 PHE  HA      3.72   # peak   1041
 38 PHE  HN     38 PHE  HB3     3.42   # peak   1582
 38 PHE  HN     38 PHE  HB2     3.72   # peak   1583
 38 PHE  HN     38 PHE  QD      7.97   # peak   2044
 38 PHE  HN     49 PHE  QE      8.12   # peak   1588
 38 PHE  HA     38 PHE  HB3     2.85   # peak   1560
 38 PHE  HA     38 PHE  HB2     2.88   # peak   1561
 38 PHE  HA     38 PHE  QD      5.58   # peak   2390
 38 PHE  HA     38 PHE  HE1     6.00   # peak   2950 was 4.48 ov
 38 PHE  HA     39 ASP- HN      2.62   # peak   1920
 38 PHE  HA     39 ASP- HA      6.00   # peak   2552
 38 PHE  HA     47 TRP  HE3     6.00   # peak   2951
 38 PHE  HA     48 CYSS HB2     5.51   # peak   2550
 38 PHE  HA     48 CYSS HB3     4.40   # peak   2549
## 38 PHE  HA     49 PHE  HD2     6.00   # peak ov with 48 HA
 38 PHE  HB3    38 PHE  HB2     3.04   # peak   1587
 38 PHE  HB3    38 PHE  QD      5.16   # peak   2382
 38 PHE  HB3    38 PHE  QE      6.68   # peak   2456
 38 PHE  HB3    39 ASP- HN      3.99   # peak   1918
 38 PHE  HB2    38 PHE  QD      5.54   # peak   2381
 38 PHE  HB2    38 PHE  QE      7.44   # peak   2448
 38 PHE  HB2    39 ASP- HN      3.95   # peak   1917
 38 PHE  HB2    48 CYSS HA      5.81   # peak   2540
 38 PHE  HB2    49 PHE  HN      6.00   # peak   1896
 38 PHE  QD     38 PHE  QE      7.58   # peak   1056
 38 PHE  QD     38 PHE  HZ      5.54   # peak   1069
 38 PHE  QD     39 ASP- HN      8.12   # peak   1331
 38 PHE  QD     39 ASP- HA      6.94   # peak   2389
 38 PHE  QD     40 SER  HN      8.12   # peak   2067
 38 PHE  QD     40 SER  HB2     8.12   # peak   2447
 38 PHE  HD1    40 SER  HB3     6.00   # peak   2976
 38 PHE  HD1    47 TRP  HB2     5.16   # peak   2975
 38 PHE  QD     48 CYSS HB2     6.72   # peak   2385
 38 PHE  QD     48 CYSS HB3     6.26   # peak   2387
 38 PHE  QD     49 PHE  HN      8.12   # peak   1905
 38 PHE  QE     39 ASP- HA      8.05   # peak   2461
 38 PHE  QE     40 SER  HN      8.12   # peak   2068
 38 PHE  QE     40 SER  HB2     6.49   # peak   2446
 38 PHE  HE1    47 TRP  HA      6.00   # peak   2948
 38 PHE  QE     47 TRP  HB3     6.98   # peak   2455
 38 PHE  QE     47 TRP  HB2     6.98   # peak   2452
 38 PHE  HE1    48 CYSS HB2     5.05   # peak   2957
 38 PHE  QE     48 CYSS HB3     7.44   # peak   2449
 38 PHE  HZ     39 ASP- HN      6.00   # peak   1333
 38 PHE  HZ     39 ASP- HA      5.00   # peak   2460 was 4.86 sov  
 38 PHE  HZ     40 SER  HB2     3.80   # peak   2445
 38 PHE  HZ     40 SER  HB3     3.80   # peak   2443
 39 ASP- HN     39 ASP- HA      3.49   # peak   1463
 39 ASP- HN     39 ASP- HB3     3.76   # peak   1464
 39 ASP- HN     39 ASP- HB2     3.53   # peak   1465
 39 ASP- HN     40 SER  HN      5.13   # peak   1925
 39 ASP- HN     40 SER  HB2     6.00   # peak   1322
 39 ASP- HN     47 TRP  HN      6.00   # peak   1935
 39 ASP- HN     47 TRP  HA      3.87   # peak   1919
 39 ASP- HN     47 TRP  HB2     5.47   # peak   1915
 39 ASP- HN     47 TRP  HZ3     6.00   # peak   1923 was 5.85 ov
## 39 ASP- HN     49 PHE  HD2     6.00   # peak   1921 remove temp
 39 ASP- HA     39 ASP- HB3     2.96   # peak   1466
 39 ASP- HA     39 ASP- HB2     3.07   # peak   1467
 39 ASP- HA     40 SER  HN      3.45   # peak   2064
 39 ASP- HA     41 ARG+ HN      3.72   # peak   2198
 39 ASP- HA     49 PHE  HD1     6.00   # peak   2954
 39 ASP- HB3    39 ASP- HB2     2.20   # peak   1468
 39 ASP- HB3    40 SER  HN      4.14   # peak   2071
 39 ASP- HB3    49 PHE  HZ      3.53   # peak   2412
 39 ASP- HB3    49 PHE  HD1     4.52   # peak   2414
 39 ASP- HB3    49 PHE  HD2     6.00   # peak   2373
 39 ASP- HB2    40 SER  HN      5.24   # peak   2072
 39 ASP- HB2    49 PHE  HZ      3.38   # peak   2411
 39 ASP- HB2    49 PHE  HD1     5.00   # peak   2413 was 3.87 ov
 39 ASP- HB2    49 PHE  HD2     6.00   # peak   2372
 40 SER  HN     40 SER  HA      3.91   # peak   1727
 40 SER  HN     40 SER  HB2     6.00   # peak   1632
 40 SER  HN     40 SER  HB3     6.00   # peak   1631
 40 SER  HN     41 ARG+ HN      3.95   # peak   2069
 40 SER  HN     41 ARG+ HA      4.97   # peak   2073
 40 SER  HA     40 SER  HB2     2.28   # peak   2918
 40 SER  HA     40 SER  HB3     2.43   # peak   1834
 40 SER  HA     41 ARG+ HN      3.83   # peak   2197
 40 SER  HA     41 ARG+ HA      6.00   # peak   2859
 40 SER  HA     42 ILE  HN      4.94   # peak   2144
 40 SER  HA     47 TRP  HA      4.52   # peak   2609
 40 SER  HA     47 TRP  HD1     3.99   # peak   2425
 40 SER  HA     47 TRP  HE1     6.00   # peak   1259
 40 SER  HA     47 TRP  HE3     5.77   # peak   2216
 40 SER  HA     47 TRP  HZ2     3.61   # peak   2453
 40 SER  HB2    40 SER  HB3     2.96   # peak   1832
 40 SER  HB2    41 ARG+ HN      6.00   # peak   2363
 40 SER  HB2    47 TRP  HA      6.00   # peak   2608
 40 SER  HB2    47 TRP  HB3     6.00   # peak   2612
 40 SER  HB2    47 TRP  HD1     6.50   # peak   2433 ov was 4.48 add 0.5 for hd1
 40 SER  HB2    47 TRP  HE1     6.00   # peak   1270
 40 SER  HB2    47 TRP  HE3     4.86   # peak   2213
 40 SER  HB3    47 TRP  HD1     6.50   # peak   2424 was 6.00 add 0.5 for hd1
 40 SER  HB3    47 TRP  HE3     5.16   # peak   2450
 41 ARG+ HN     41 ARG+ HA      3.04   # peak   1141
 41 ARG+ HN     41 ARG+ HB2     3.04   # peak   1143
 41 ARG+ HN     41 ARG+ HB3     2.92   # peak   1142
 41 ARG+ HN     41 ARG+ HG2     5.00   # peak   1144 was 3.45 ov
 41 ARG+ HN     41 ARG+ HG3     5.00   # peak   1145 was 3.85 ov
 41 ARG+ HN     41 ARG+ HD2     6.00   # peak   1214
 41 ARG+ HN     41 ARG+ HD3     5.89   # peak   1155
 41 ARG+ HN     42 ILE  HN      3.64   # peak   2150
 41 ARG+ HA     41 ARG+ HB2     2.92   # peak   1152
 41 ARG+ HA     41 ARG+ HB3     2.88   # peak   1151
 41 ARG+ HA     41 ARG+ HG2     3.04   # peak   1153
 41 ARG+ HA     41 ARG+ HG3     3.38   # peak   1154
 41 ARG+ HA     41 ARG+ HD2     5.77   # peak   2861
 41 ARG+ HA     41 ARG+ HD3     4.86   # peak   2860
 41 ARG+ HA     42 ILE  HN      3.80   # peak   2145
 41 ARG+ HA     42 ILE  HG13    5.09   # peak   2866
 41 ARG+ HA     42 ILE  QD1     5.66   # peak   2870
 41 ARG+ HA     47 TRP  HZ2     6.00   # peak   2363
 41 ARG+ HB2    41 ARG+ HD2     4.02   # peak   1122
 41 ARG+ HB2    41 ARG+ HD3     3.19   # peak   1127
 41 ARG+ HB2    42 ILE  HN      4.71   # peak   2141
 41 ARG+ HB3    41 ARG+ HD2     4.29   # peak   1121
 41 ARG+ HB3    41 ARG+ HD3     3.42   # peak   1128
 41 ARG+ HB3    42 ILE  HN      4.14   # peak   2142
 41 ARG+ HB3    42 ILE  HG13    4.29   # peak   2871
 41 ARG+ HG2    41 ARG+ HD3     3.61   # peak   1126
 41 ARG+ HG3    41 ARG+ HD2     3.57   # peak   2873
 41 ARG+ HG3    41 ARG+ HD3     2.88   # peak   1161
 42 ILE  HN     42 ILE  HA      5.24   # peak    219
 42 ILE  HN     42 ILE  HB      3.50   # peak    218 was 3.26 sov
 42 ILE  HN     42 ILE  QG2     7.03   # peak    215
 42 ILE  HN     42 ILE  HG13    4.56   # peak    224
 42 ILE  HN     42 ILE  HG12    5.32   # peak    223
 42 ILE  HN     42 ILE  QD1     7.03   # peak   1781
 42 ILE  HN     43 PRO  HD2     6.00   # peak   2146
 42 ILE  HN     45 VAL  QG2     7.03   # peak   2140
 42 ILE  HN     47 TRP  HA      6.00   # peak   2148
 42 ILE  HN     47 TRP  HD1     6.00   # peak   2149
 42 ILE  HN     47 TRP  HE1     6.00   # peak   1869
 42 ILE  HA     42 ILE  HB      3.57   # peak    389
 42 ILE  HA     42 ILE  QG2     5.20   # peak     82
 42 ILE  HA     42 ILE  HG12    4.97   # peak   2694
 42 ILE  HA     42 ILE  QD1     6.08   # peak   2693
 42 ILE  HA     43 PRO  HB3     5.00   # peak   2690 was 4.44 - too restrictive
 42 ILE  HA     43 PRO  HG2     4.40   # peak   2691
 42 ILE  HA     43 PRO  HD2     3.30   # peak   1859 was 2.50 ov
 42 ILE  HA     43 PRO  HD3     3.30   # peak   1860 was 2.35 ov
 42 ILE  HA     45 VAL  QG2     7.03   # peak   2692
 42 ILE  HB     42 ILE  QG2     3.49   # peak    202
 42 ILE  HB     42 ILE  HG12    3.76   # peak     61
 42 ILE  HB     42 ILE  QD1     3.23   # peak     96
 42 ILE  HB     43 PRO  HA      6.00   # peak   2643 was 3.91 - too restrictive
 42 ILE  HB     47 TRP  HD1     5.28   # peak   2431
 42 ILE  HB     47 TRP  HE1     6.00   # peak   1880
 42 ILE  QG2    42 ILE  HG13    4.90   # peak   2696
 42 ILE  QG2    42 ILE  HG12    7.03   # peak   2697
 42 ILE  QG2    42 ILE  QD1     6.92   # peak     84
 42 ILE  QG2    43 PRO  HA      6.80   # peak   2645
 42 ILE  QG2    43 PRO  HB3     7.03   # peak   2641
 42 ILE  QG2    43 PRO  HD2     5.05   # peak   2650 
 42 ILE  QG2    43 PRO  HD3     5.00   # peak   2653 was 3.80 ov
 42 ILE  QG2    45 VAL  HN      7.03   # peak   2928
 42 ILE  QG2    47 TRP  HD1     7.03   # peak   2428
 42 ILE  QG2    47 TRP  HE1     7.03   # peak   2957
 42 ILE  HG13   42 ILE  HG12    2.24   # peak    101
 42 ILE  HG13   42 ILE  QD1     3.91   # peak     95
 42 ILE  HG13   47 TRP  HD1     6.00   # peak   2429
 42 ILE  HG13   47 TRP  HE1     6.00   # peak   2951
 42 ILE  HG12   42 ILE  QD1     4.18   # peak     92
 42 ILE  HG12   43 PRO  HD3     5.09   # peak   2869
 42 ILE  QD1    43 PRO  HA      5.58   # peak   2646
 42 ILE  QD1    43 PRO  HB3     7.03   # peak   2640
 42 ILE  QD1    43 PRO  HD2     6.95   # peak   2651
 43 PRO  HA     43 PRO  HB3     2.58   # peak    291
 43 PRO  HA     43 PRO  HB2     2.35   # peak    293
 43 PRO  HA     43 PRO  HG2     2.54   # peak    292
 43 PRO  HA     43 PRO  HD2     4.82   # peak    305
 43 PRO  HA     43 PRO  HD3     4.06   # peak    304
 43 PRO  HA     44 GLY  HN      3.38   # peak   1973
 43 PRO  HA     45 VAL  HN      5.62   # peak   2300
 43 PRO  HA     45 VAL  QG2     7.03   # peak   2647
 43 PRO  HA     47 TRP  HD1     6.00   # peak   2304
 43 PRO  HA     47 TRP  HE1     6.00   # peak   1262
 43 PRO  HA     47 TRP  HZ2     4.33   # peak   2365
 43 PRO  HB3    43 PRO  HB2     2.28   # peak   2638
 43 PRO  HB3    43 PRO  HG2     2.58   # peak   2639
 43 PRO  HB3    43 PRO  HD2     4.37   # peak    289
 43 PRO  HB3    43 PRO  HD3     4.25   # peak    290
 43 PRO  HB3    44 GLY  HN      5.01   # peak   1972
 43 PRO  HB3    47 TRP  HZ2     5.24   # peak   2968
## 43 PRO  HB3    52 LEU  HG      6.00   # peak   2654 miss was 52qd1 7.03 - remove temp
 43 PRO  HB2    43 PRO  HD2     4.37   # peak    325
 43 PRO  HB2    43 PRO  HD3     3.00   # peak    295
 43 PRO  HB2    44 GLY  HN      4.75   # peak   1970
 43 PRO  HB2    47 TRP  HE1     6.00   # peak   1266
 43 PRO  HB2    47 TRP  HZ2     6.00   # peak   2361
 43 PRO  HG2    43 PRO  HD2     2.43   # peak    326
 43 PRO  HG2    43 PRO  HD3     2.28   # peak    294
 43 PRO  HG2    44 GLY  HN      6.00   # peak   1396
 43 PRO  HG2    47 TRP  HZ2     6.00   # peak   2362
 43 PRO  HG2    47 TRP  HE1     6.00   # peak   1267
 43 PRO  HD2    43 PRO  HD3     2.20   # peak    302
 43 PRO  HD2    47 TRP  HZ2     6.00   # peak   2364
 43 PRO  HD3    45 VAL  QG2     7.03   # peak   2652
 44 GLY  HN     44 GLY  HA1     3.72   # peak   1369
 44 GLY  HN     44 GLY  HA2     3.53   # peak   1368
 44 GLY  HN     45 VAL  HN      3.95   # peak   1974
 44 GLY  HN     45 VAL  QG2     7.03   # peak   1969
 44 GLY  HN     47 TRP  HE1     6.00   # peak   1887
 44 GLY  HA1    44 GLY  HA2     2.81   # peak   1370
 44 GLY  HA1    45 VAL  HN      4.48   # peak   2299
 44 GLY  HA1    45 VAL  QG2     7.03   # peak   2832
 44 GLY  HA1    45 VAL  QG1     7.03   # peak   2833
 44 GLY  HA2    45 VAL  HN      4.33   # peak   2297
 44 GLY  HA2    45 VAL  QG1     7.03   # peak   2834
 45 VAL  HN     45 VAL  HA      3.38   # peak     35
 45 VAL  HN     45 VAL  HB      3.76   # peak     32
 45 VAL  HN     45 VAL  QG2     5.96   # peak     29
 45 VAL  HN     45 VAL  QG1     6.88   # peak     31
 45 VAL  HN     46 PRO  HD2     6.00   # peak   2298
 45 VAL  HN     46 PRO  HD3     6.00   # peak   2296
 45 VAL  HN     47 TRP  HE1     6.00   # peak   2301
 45 VAL  HA     45 VAL  HB      2.47   # peak   2679
 45 VAL  HA     45 VAL  QG2     4.22   # peak     24
 45 VAL  HA     45 VAL  QG1     3.57   # peak     26
 45 VAL  HA     46 PRO  HA      5.54   # peak   2683
 45 VAL  HA     46 PRO  HB2     6.00   # peak   2680 was 3.83 - too restrictive
 45 VAL  HA     46 PRO  HB3     5.00   # peak   2676 was 3.64 - too restrictive
 45 VAL  HA     46 PRO  HG2     5.00   # peak   2678 was 4.06 - too restrictive
 45 VAL  HA     46 PRO  HG3     5.00   # peak   2677 was 3.95 - too restrictive
 45 VAL  HA     46 PRO  HD2     3.30   # peak   2682 was 2.47 ov
 45 VAL  HA     46 PRO  HD3     2.73   # peak   2681
 45 VAL  HA     47 TRP  HD1     6.00   # peak   2423
 45 VAL  HB     45 VAL  QG2     3.57   # peak      6
 45 VAL  HB     45 VAL  QG1     3.42   # peak      5
 45 VAL  HB     46 PRO  HD2     2.69   # peak   2804
 45 VAL  HB     46 PRO  HD3     3.04   # peak   2805
 45 VAL  HB     47 TRP  HD1     6.00   # peak   2432 was 5.58 ov
 45 VAL  QG2    45 VAL  QG1     5.59   # peak      7
 45 VAL  QG2    46 PRO  HA      7.03   # peak   2801
 45 VAL  QG2    46 PRO  HD2     4.98   # peak   2797
 45 VAL  QG2    46 PRO  HD3     5.32   # peak   2799
 45 VAL  QG2    47 TRP  HA      7.03   # peak   2604
 45 VAL  QG2    47 TRP  HD1     4.25   # peak   2426
 45 VAL  QG2    47 TRP  HE1     6.46   # peak   1870
 45 VAL  QG1    46 PRO  HA      7.03   # peak   2802
 45 VAL  QG1    46 PRO  HD2     4.25   # peak   2798
 45 VAL  QG1    46 PRO  HD3     4.71   # peak   2800
 45 VAL  QG1    47 TRP  HD1     7.03   # peak   2427
 45 VAL  QG1    49 PHE  HE1     7.03   # peak   2981 was 6.53 ov
 46 PRO  HA     46 PRO  HB2     2.43   # peak    266
 46 PRO  HA     46 PRO  HB3     3.42   # peak   2803
 46 PRO  HA     46 PRO  HG2     3.57   # peak    264
 46 PRO  HA     46 PRO  HG3     3.61   # peak    263
 46 PRO  HA     46 PRO  HD2     3.91   # peak    272
 46 PRO  HA     46 PRO  HD3     4.44   # peak    252
 46 PRO  HA     47 TRP  HN      2.81   # peak   2135
 46 PRO  HA     47 TRP  HA      6.00   # peak   2610
 46 PRO  HA     47 TRP  HD1     4.94   # peak   2303
 46 PRO  HA     48 CYSS HN      3.64   # peak   2054
 46 PRO  HB2    46 PRO  HB3     2.50   # peak    275
 46 PRO  HB2    46 PRO  HD2     3.83   # peak    248
 46 PRO  HB2    46 PRO  HD3     4.14   # peak    241
 46 PRO  HB2    49 PHE  HN      6.00   # peak   1911
 46 PRO  HB2    49 PHE  HA      3.95   # peak   2562
 46 PRO  HB2    49 PHE  HB2     5.24   # peak   2574
 46 PRO  HB2    49 PHE  HB3     3.04   # peak   2920
 46 PRO  HB3    46 PRO  HG2     2.20   # peak   2793
 46 PRO  HB3    46 PRO  HD2     3.57   # peak    271
 46 PRO  HB3    46 PRO  HD3     4.29   # peak    244
 46 PRO  HB3    47 TRP  HN      3.99   # peak   2130
 46 PRO  HB3    48 CYSS HN      4.25   # peak   2047
 46 PRO  HB3    49 PHE  HA      6.00   # ov with 2559
 46 PRO  HG2    46 PRO  HD3     3.53   # peak    245
 46 PRO  HG2    47 TRP  HN      6.00   # peak   2132
 46 PRO  HG2    47 TRP  HD1     6.50   # peak   2430 +0.5 for HD1
 46 PRO  HG3    46 PRO  HD2     2.96   # peak    247
 46 PRO  HG3    46 PRO  HD3     3.19   # peak    243
 46 PRO  HG3    47 TRP  HN      6.00   # peak   2131
 46 PRO  HD2    46 PRO  HD3     2.43   # peak    240
 47 TRP  HN     47 TRP  HA      3.76   # peak   1446
 47 TRP  HN     47 TRP  HB3     3.38   # peak   1447
 47 TRP  HN     47 TRP  HB2     3.34   # peak   1448
 47 TRP  HN     47 TRP  HD1     4.37   # peak   2137
 47 TRP  HN     47 TRP  HE1     6.00   # peak   1886
 47 TRP  HN     48 CYSS HN      3.80   # peak   2053
 47 TRP  HN     48 CYSS HA      6.00   # peak   2136
 47 TRP  HN     48 CYSS HB2     5.16   # peak   2134
 47 TRP  HN     49 PHE  QE      8.12   # peak   2138
 47 TRP  HA     47 TRP  HB3     3.00   # peak   1396
 47 TRP  HA     47 TRP  HB2     3.38   # peak   1397
 47 TRP  HA     47 TRP  HD1     2.47   # peak   2302
 47 TRP  HA     47 TRP  HE3     5.66   # peak   2217
 47 TRP  HA     47 TRP  HE1     5.66   # peak   1873
 47 TRP  HA     48 CYSS HN      4.52   # peak   2051
 47 TRP  HA     48 CYSS HA      6.00   # peak   2546
 47 TRP  HA     49 PHE  HD1     6.00   # peak   2953
 47 TRP  HA     49 PHE  HE1     5.00   # peak   2983 was 4.02 ov
 47 TRP  HA     49 PHE  HZ      6.00   # peak   2947
 47 TRP  HB3    47 TRP  HB2     2.50   # peak   1398
 47 TRP  HB3    47 TRP  HD1     3.99   # peak   1735
 47 TRP  HB3    47 TRP  HE1     6.00   # peak   2947
 47 TRP  HB3    47 TRP  HE3     3.57   # peak   2218
 47 TRP  HB3    48 CYSS HN      3.76   # peak   2050
 47 TRP  HB2    47 TRP  HD1     3.23   # peak   1736
 47 TRP  HB2    47 TRP  HE3     3.49   # peak   2214
 47 TRP  HB2    47 TRP  HZ2     6.18   # peak   2451 was 4.21 too restrictive
 47 TRP  HB2    48 CYSS HN      3.91   # peak   2048
 47 TRP  HB2    48 CYSS HA      6.00   # peak   2538
 47 TRP  HD1    47 TRP  HE3     4.86   # peak   2392
 47 TRP  HD1    47 TRP  HE1     3.11   # peak   1063
 47 TRP  HD1    48 CYSS HN      6.00   # peak   1598
 47 TRP  HE3    47 TRP  HZ3     2.81   # peak   1052
 47 TRP  HE3    47 TRP  HZ2     3.15   # peak   1065
 47 TRP  HE1    47 TRP  HZ3     6.00   # peak   1073
 47 TRP  HE1    47 TRP  HZ2     3.83   # peak   1868
 47 TRP  HZ2    47 TRP  HH2     2.47   # peak   1053
 48 CYSS HN     48 CYSS HA      3.99   # peak   1040
 48 CYSS HN     48 CYSS HB2     3.95   # peak   1575
 48 CYSS HN     48 CYSS HB3     3.57   # peak   1576
 48 CYSS HN     49 PHE  HN      4.59   # peak   1908
 48 CYSS HN     49 PHE  HB3     6.00   # peak   1595
 48 CYSS HA     48 CYSS HB2     3.07   # peak   1549
 48 CYSS HA     48 CYSS HB3     3.34   # peak   1550
 48 CYSS HA     49 PHE  HN      3.19   # peak   1903
 48 CYSS HA     49 PHE  HA      4.90   # peak   2547
 48 CYSS HA     49 PHE  HB2     6.00   # peak   2541 was 3.30 ov
 48 CYSS HA     49 PHE  HB3     6.00   # peak   2539 
 48 CYSS HA     49 PHE  HD1     5.73   # peak   2421
 48 CYSS HA     49 PHE  HZ      6.00   # peak   2946 was 5.39 ov
 48 CYSS HA     49 PHE  HD2     6.00   # peak   2377 ov with 38HA
 48 CYSS HB2    48 CYSS HB3     2.54   # peak   1580
 48 CYSS HB2    49 PHE  HN      5.28   # peak   1899
 48 CYSS HB3    49 PHE  HN      4.59   # peak   1897
 49 PHE  HN     49 PHE  HA      4.10   # peak   1037
 49 PHE  HN     49 PHE  HB2     4.33   # peak   1452
 49 PHE  HN     49 PHE  HB3     5.09   # peak   1453
 49 PHE  HN     49 PHE  HD1     6.00   # peak   1906
 49 PHE  HN     49 PHE  HD2     6.00   # peak   1904
 49 PHE  HN     50 LYS+ HA      6.00   # peak   1305
 49 PHE  HA     49 PHE  HB2     2.69   # peak   1405
 49 PHE  HA     49 PHE  HB3     2.54   # peak   1406
 49 PHE  HA     49 PHE  HD1     5.28   # peak   2420
 49 PHE  HA     49 PHE  HD2     6.00   # peak   2376
 49 PHE  HA     50 LYS+ HN      3.00   # peak   2062
 49 PHE  HB2    49 PHE  HB3     2.69   # peak   1407
 49 PHE  HB2    49 PHE  HD1     4.21   # peak   2417
 49 PHE  HB2    49 PHE  HD2     4.33   # peak   2374
 49 PHE  HB2    50 LYS+ HN      3.26   # peak   2057
 49 PHE  HB3    49 PHE  HD1     3.64   # peak   2406
 49 PHE  HB3    49 PHE  HE1     6.00   # peak   2990
 49 PHE  HB3    49 PHE  HD2     4.67   # peak   2371
 49 PHE  HB3    50 LYS+ HN      3.57   # peak   2056
 49 PHE  HD1    49 PHE  HD2     3.23   # peak   1694
## 49 PHE  HD1    51 PRO  HA      6.00   # peak   2952 was 4.67 ov - rt spin
 49 PHE  HE1    49 PHE  HD2     4.14   # peak   2984
 49 PHE  HZ     49 PHE  HD2     3.38   # peak   1046
 50 LYS+ HN     50 LYS+ HA      3.45   # peak   1230
 50 LYS+ HN     50 LYS+ HB2     2.92   # peak   1229
 50 LYS+ HN     50 LYS+ HG2     3.83   # peak   1228
 50 LYS+ HN     51 PRO  HD2     6.00   # peak   2060
 50 LYS+ HN     51 PRO  HD3     6.00   # peak   2059
 50 LYS+ HA     50 LYS+ HB2     3.30   # peak   1236 was 2.24 ov
 50 LYS+ HA     50 LYS+ HB3     2.73   # peak   1227
 50 LYS+ HA     50 LYS+ HG2     3.42   # peak   1238
 50 LYS+ HA     50 LYS+ HG3     3.19   # peak   1237
 50 LYS+ HA     51 PRO  HD2     4.00   # peak   1717 ov was 2.66
 50 LYS+ HA     51 PRO  HD3     2.50   # peak   1718
 50 LYS+ HB2    50 LYS+ HG2     2.39   # peak   1266
 50 LYS+ HB2    50 LYS+ HE2     4.25   # peak   1240
 50 LYS+ HB2    50 LYS+ HE3     3.72   # peak   1245
 50 LYS+ HB2    52 LEU  HN      6.00   # peak   1416
 50 LYS+ HB3    50 LYS+ HE2     4.90   # peak   1239
 50 LYS+ HB3    50 LYS+ HE3     3.72   # peak   1246
 50 LYS+ HG2    50 LYS+ HE2     4.06   # peak   1244
 50 LYS+ HG2    50 LYS+ HE3     3.80   # peak   1251
 50 LYS+ HG3    50 LYS+ HE2     3.80   # peak   1252
 50 LYS+ HG3    50 LYS+ HE3     3.80   # peak   1243
 50 LYS+ HD2    50 LYS+ HE2     3.45   # peak   1241
 50 LYS+ HD2    50 LYS+ HE3     3.45   # peak   1223
 50 LYS+ HD3    50 LYS+ HE2     3.61   # peak   1242
 50 LYS+ HD3    50 LYS+ HE3     4.29   # peak   1225
 51 PRO  HA     51 PRO  HD2     4.44   # peak   1719
 51 PRO  HA     51 PRO  HD3     5.09   # peak   1720
 51 PRO  HA     52 LEU  HN      2.66   # peak   1996
 51 PRO  HD2    51 PRO  HD3     2.85   # peak   1836
 51 PRO  HD2    52 LEU  HN      6.00   # peak   1999
 51 PRO  HD3    52 LEU  HN      6.00   # peak   1998
 52 LEU  HN     52 LEU  HA      3.00   # peak    350
 52 LEU  HN     52 LEU  HB2     2.88   # peak    351
 52 LEU  HN     52 LEU  HB3     2.77   # peak    354
 52 LEU  HN     52 LEU  HG      5.00   # peak    355 was 4.06 ov
 52 LEU  HN     52 LEU  QD1     5.09   # peak    356
 52 LEU  HN     52 LEU  QD2     5.09   # peak    357
 52 LEU  HN     53 GLN  HN      4.59   # peak   2001
 52 LEU  HN     54 GLU- HB2     6.00   # peak   1417
 52 LEU  HA     52 LEU  HB2     2.50   # peak    349
 52 LEU  HA     52 LEU  HB3     3.30   # peak    262 was 2.39 ov
 52 LEU  HA     52 LEU  HG      2.66   # peak    345
 52 LEU  HA     52 LEU  QD1     5.00   # peak    358 was 3.84 ov
 52 LEU  HA     52 LEU  QD2     3.87   # peak    359
 52 LEU  HA     53 GLN  HN      2.58   # peak   2074
 52 LEU  HB2    52 LEU  HG      2.31   # peak     52
 52 LEU  HB2    52 LEU  QD1     3.34   # peak     53
 52 LEU  HB2    52 LEU  QD2     4.00   # peak    360 was 3.34 ov
 52 LEU  HB3    52 LEU  HG      5.00   # peak   2776 was 2.20 - too restrictive
 52 LEU  HB3    52 LEU  QD1     3.23   # peak   2775
 52 LEU  HB3    52 LEU  QD2     3.23   # peak   2944
 52 LEU  HB3    53 GLN  HN      6.00   # peak   1670
 52 LEU  HB3    54 GLU- HN      6.00   # peak   2954
 53 GLN  HN     53 GLN  HA      3.26   # peak    424
 53 GLN  HN     53 GLN  HB2     2.85   # peak    421
 53 GLN  HN     53 GLN  HB3     3.30   # peak    422
 53 GLN  HN     53 GLN  HG3     4.44   # peak    423
 53 GLN  HN     55 ALA  QB      7.03   # peak   1662
 53 GLN  HA     53 GLN  HB2     2.58   # peak    426
 53 GLN  HA     53 GLN  HB3     2.85   # peak    425
 53 GLN  HA     53 GLN  HG2     6.00   # peak   2319
 53 GLN  HA     53 GLN  HG3     3.57   # peak    428
 53 GLN  HA     53 GLN  HE21    6.00   # peak   2357
 53 GLN  HA     53 GLN  HE22    6.00   # peak   2354
 53 GLN  HA     54 GLU- HN      2.81   # peak   2093
 53 GLN  HB2    53 GLN  HG3     3.23   # peak    436
 53 GLN  HB3    53 GLN  HG3     2.88   # peak    438
 53 GLN  HG3    53 GLN  HE21    5.54   # peak   2352
 53 GLN  HG3    53 GLN  HE22    6.00   # peak   2353
 53 GLN  HG3    54 GLU- HN      5.85   # peak   2094
 53 GLN  HE21   53 GLN  HE22    2.31   # peak   1760
 54 GLU- HN     54 GLU- HA      3.76   # peak    403
 54 GLU- HN     54 GLU- HB2     3.26   # peak    405
 54 GLU- HN     54 GLU- HB3     3.30   # peak    406
 54 GLU- HN     54 GLU- QG      5.81   # peak    404
 54 GLU- HN     55 ALA  QB      7.03   # peak   2952
 54 GLU- HA     54 GLU- HB2     2.43   # peak    408
 54 GLU- HA     54 GLU- HB3     2.50   # peak    407
 54 GLU- HA     54 GLU- QG      5.24   # peak    409
 54 GLU- HA     55 ALA  HN      2.77   # peak   2113
 54 GLU- QG     55 ALA  HN      6.88   # peak   2114
 55 ALA  HN     55 ALA  HA      3.80   # peak   1018
 55 ALA  HN     55 ALA  QB      4.60   # peak   1019
 55 ALA  HA     55 ALA  QB      4.29   # peak   1016
 56 GLU- HB3    56 GLU- HG2     3.68   # peak    441
 58 THR  HN     58 THR  HA      5.09   # peak    162
 58 THR  HN     58 THR  HB      4.52   # peak   1014
 58 THR  HN     58 THR  HG1     6.00   # peak    161
 58 THR  HA     58 THR  HB      3.57   # peak     90
 58 THR  HA     58 THR  QG2     5.51   # peak   1008
 58 THR  HA     58 THR  HG1     4.48   # peak     87
 58 THR  HB     58 THR  QG2     4.90   # peak   1007
 58 THR  HB     58 THR  HG1     4.63   # peak     86
 59 PHE  HD1    59 PHE  HE1     3.80   # peak   1057
 59 PHE  HD1    59 PHE  HZ      6.00   # peak   1696
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLU   1           H        GLU   1   2.702 -17.254  14.597
    2    HA   GLU   1           HA       GLU   1   0.200 -17.877  14.738
    3   1HB   GLU   1          1HB       GLU   1   0.256 -16.586  17.026
    4   2HB   GLU   1          2HB       GLU   1   0.148 -15.140  16.041
    5   1HG   GLU   1          1HG       GLU   1  -2.082 -15.449  15.786
    6   2HG   GLU   1          2HG       GLU   1  -1.800 -17.008  15.035
    7    H    GLU   2           H        GLU   2   2.061 -17.323  12.784
    8    HA   GLU   2           HA       GLU   2   2.434 -16.270  10.918
    9   1HB   GLU   2          1HB       GLU   2  -0.512 -16.196  11.261
   10   2HB   GLU   2          2HB       GLU   2   0.094 -15.030  10.102
   11   1HG   GLU   2          1HG       GLU   2   1.550 -17.200   9.325
   12   2HG   GLU   2          2HG       GLU   2   0.158 -18.028   9.994
   13    H    TYR   3           H        TYR   3   1.923 -13.946   9.658
   14    HA   TYR   3           HA       TYR   3   2.981 -12.003  11.510
   15   1HB   TYR   3          1HB       TYR   3   3.371 -12.670   8.866
   16   2HB   TYR   3          2HB       TYR   3   2.126 -11.456   8.646
   17    HD1  TYR   3           HD1      TYR   3   5.316 -11.855  10.598
   18    HD2  TYR   3           HD2      TYR   3   2.848  -9.299   8.216
   19    HE1  TYR   3           HE1      TYR   3   7.071 -10.021  10.735
   20    HE2  TYR   3           HE2      TYR   3   4.611  -7.473   8.361
   21    HH   TYR   3           HH       TYR   3   6.431  -6.854   9.958
   22    H    VAL   4           H        VAL   4   2.063  -9.585  10.677
   23    HA   VAL   4           HA       VAL   4  -0.685  -9.391  10.262
   24    HB   VAL   4           HB       VAL   4  -0.950 -10.408  12.419
   25   1HG1  VAL   4          1HG1      VAL   4   1.437  -9.034  13.073
   26   2HG1  VAL   4          2HG1      VAL   4   0.176  -8.407  14.161
   27   3HG1  VAL   4          3HG1      VAL   4   0.503 -10.155  14.092
   28   1HG2  VAL   4          1HG2      VAL   4  -1.485  -7.431  12.339
   29   2HG2  VAL   4          2HG2      VAL   4  -2.607  -8.773  12.009
   30   3HG2  VAL   4          3HG2      VAL   4  -2.050  -8.467  13.672
   31    H    GLY   5           H        GLY   5  -0.837  -7.442   9.287
   32   1HA   GLY   5          1HA       GLY   5   0.015  -5.462   8.495
   33   2HA   GLY   5          2HA       GLY   5   1.284  -5.500   9.703
   34    H    LEU   6           H        LEU   6   1.032  -4.405  11.660
   35    HA   LEU   6           HA       LEU   6  -1.556  -3.051  11.977
   36   1HB   LEU   6          1HB       LEU   6  -1.227  -3.181  14.398
   37   2HB   LEU   6          2HB       LEU   6  -1.417  -4.751  13.642
   38    HG   LEU   6           HG       LEU   6   1.367  -4.280  13.725
   39   1HD1  LEU   6          1HD1      LEU   6   0.388  -2.553  15.546
   40   2HD1  LEU   6          2HD1      LEU   6   0.507  -4.018  16.550
   41   3HD1  LEU   6          3HD1      LEU   6   1.950  -3.390  15.717
   42   1HD2  LEU   6          1HD2      LEU   6  -0.252  -6.365  14.105
   43   2HD2  LEU   6          2HD2      LEU   6   1.426  -6.333  14.697
   44   3HD2  LEU   6          3HD2      LEU   6   0.083  -5.976  15.810
   45    H    SER   7           H        SER   7   0.823  -2.217  10.439
   46    HA   SER   7           HA       SER   7   0.930   0.379  11.179
   47   1HB   SER   7          1HB       SER   7   3.497   0.267  11.997
   48   2HB   SER   7          2HB       SER   7   2.153   0.255  13.122
   49    HG   SER   7           HG       SER   7   3.994  -1.521  13.126
   50    H    ALA   8           H        ALA   8   3.409   1.284  10.342
   51    HA   ALA   8           HA       ALA   8   3.394   1.101   7.670
   52   1HB   ALA   8          1HB       ALA   8   4.911   2.666   8.315
   53   2HB   ALA   8          2HB       ALA   8   5.402   1.741   9.754
   54   3HB   ALA   8          3HB       ALA   8   6.083   1.334   8.161
   55    H    ASN   9           H        ASN   9   6.258  -0.465   9.128
   56    HA   ASN   9           HA       ASN   9   7.362  -2.228   8.452
   57   1HB   ASN   9          1HB       ASN   9   4.593  -3.234   9.128
   58   2HB   ASN   9          2HB       ASN   9   5.715  -4.384   8.428
   59   2HD2  ASN   9          2HD2      ASN   9   4.734  -4.719  10.950
   60   1HD2  ASN   9          1HD2      ASN   9   5.978  -4.512  12.136
   61    H    GLN  10           H        GLN  10   4.373  -3.661   7.102
   62    HA   GLN  10           HA       GLN  10   5.475  -4.377   4.733
   63   1HB   GLN  10          1HB       GLN  10   2.560  -3.643   4.756
   64   2HB   GLN  10          2HB       GLN  10   3.337  -5.086   4.135
   65   1HG   GLN  10          1HG       GLN  10   3.938  -5.503   6.703
   66   2HG   GLN  10          2HG       GLN  10   2.598  -4.410   6.990
   67   2HE2  GLN  10          2HE2      GLN  10   2.291  -6.821   7.954
   68   1HE2  GLN  10          1HE2      GLN  10   1.192  -7.796   7.037
   69    H    CYS  11           H        CYS  11   3.791  -1.318   5.609
   70    HA   CYS  11           HA       CYS  11   4.364  -0.332   2.920
   71   1HB   CYS  11          1HB       CYS  11   2.775   1.353   4.743
   72   2HB   CYS  11          2HB       CYS  11   2.552   0.996   3.042
   73    H    ALA  12           H        ALA  12   6.562  -0.730   4.675
   74    HA   ALA  12           HA       ALA  12   7.089   1.926   5.781
   75   1HB   ALA  12          1HB       ALA  12   8.701  -0.635   6.082
   76   2HB   ALA  12          2HB       ALA  12   7.367  -0.180   7.169
   77   3HB   ALA  12          3HB       ALA  12   8.817   0.847   7.062
   78    H    VAL  13           H        VAL  13   6.938   1.796   2.968
   79    HA   VAL  13           HA       VAL  13   9.712   1.592   2.091
   80    HB   VAL  13           HB       VAL  13   7.683   2.371   0.136
   81   1HG1  VAL  13          1HG1      VAL  13  10.077   0.721   0.355
   82   2HG1  VAL  13          2HG1      VAL  13   8.785  -0.097  -0.556
   83   3HG1  VAL  13          3HG1      VAL  13   9.358   1.508  -1.070
   84   1HG2  VAL  13          1HG2      VAL  13   7.250  -0.059   1.860
   85   2HG2  VAL  13          2HG2      VAL  13   6.068   1.120   1.243
   86   3HG2  VAL  13          3HG2      VAL  13   6.783  -0.082   0.143
   87    HA   PRO  14           HA       PRO  14  10.202   5.884   2.091
   88   1HB   PRO  14          1HB       PRO  14  12.140   6.220   0.194
   89   2HB   PRO  14          2HB       PRO  14  12.482   5.702   1.833
   90   1HG   PRO  14          1HG       PRO  14  12.453   4.098  -0.650
   91   2HG   PRO  14          2HG       PRO  14  13.189   3.717   0.894
   92   1HD   PRO  14          1HD       PRO  14  10.743   2.646  -0.152
   93   2HD   PRO  14          2HD       PRO  14  11.419   2.355   1.438
   94    H    ALA  15           H        ALA  15  10.281   4.798  -1.277
   95    HA   ALA  15           HA       ALA  15   7.941   5.708  -2.142
   96   1HB   ALA  15          1HB       ALA  15   9.643   7.992  -1.366
   97   2HB   ALA  15          2HB       ALA  15   7.886   7.918  -1.647
   98   3HB   ALA  15          3HB       ALA  15   9.000   8.103  -3.022
   99    H    LYS  16           H        LYS  16  11.426   5.448  -2.534
  100    HA   LYS  16           HA       LYS  16  11.167   5.369  -5.431
  101   1HB   LYS  16          1HB       LYS  16  13.585   5.368  -5.456
  102   2HB   LYS  16          2HB       LYS  16  13.006   6.660  -4.424
  103   1HG   LYS  16          1HG       LYS  16  14.690   5.700  -3.093
  104   2HG   LYS  16          2HG       LYS  16  13.252   4.915  -2.471
  105   1HD   LYS  16          1HD       LYS  16  13.896   2.855  -3.230
  106   2HD   LYS  16          2HD       LYS  16  14.409   3.483  -4.784
  107   1HE   LYS  16          1HE       LYS  16  16.592   3.553  -4.138
  108   2HE   LYS  16          2HE       LYS  16  16.202   4.415  -2.663
  109   1HZ   LYS  16          1HZ       LYS  16  15.292   1.832  -2.357
  110   2HZ   LYS  16          2HZ       LYS  16  16.799   1.713  -2.975
  111   3HZ   LYS  16          3HZ       LYS  16  16.547   2.542  -1.591
  112    H    ASP  17           H        ASP  17  10.305   3.328  -3.081
  113    HA   ASP  17           HA       ASP  17  11.371   1.039  -4.540
  114   1HB   ASP  17          1HB       ASP  17  11.360   1.664  -1.678
  115   2HB   ASP  17          2HB       ASP  17  10.497   0.169  -1.977
  116    H    ARG  18           H        ARG  18   8.771   2.919  -4.400
  117    HA   ARG  18           HA       ARG  18   6.760   1.111  -3.581
  118   1HB   ARG  18          1HB       ARG  18   6.346   3.557  -5.353
  119   2HB   ARG  18          2HB       ARG  18   5.210   2.852  -4.221
  120   1HG   ARG  18          1HG       ARG  18   7.851   4.179  -3.445
  121   2HG   ARG  18          2HG       ARG  18   6.278   4.943  -3.337
  122   1HD   ARG  18          1HD       ARG  18   5.569   2.970  -1.820
  123   2HD   ARG  18          2HD       ARG  18   7.261   2.517  -1.770
  124    HE   ARG  18           HE       ARG  18   7.602   4.237  -0.239
  125   1HH1  ARG  18          1HH1      ARG  18   4.791   5.039  -2.198
  126   2HH1  ARG  18          2HH1      ARG  18   4.442   6.496  -1.330
  127   1HH2  ARG  18          1HH2      ARG  18   7.142   6.160   0.907
  128   2HH2  ARG  18          2HH2      ARG  18   5.788   7.138   0.448
  129    H    VAL  19           H        VAL  19   6.036  -0.611  -4.791
  130    HA   VAL  19           HA       VAL  19   6.760  -0.758  -7.572
  131    HB   VAL  19           HB       VAL  19   5.175  -2.648  -5.822
  132   1HG1  VAL  19          1HG1      VAL  19   6.448  -2.941  -8.554
  133   2HG1  VAL  19          2HG1      VAL  19   6.022  -4.337  -7.535
  134   3HG1  VAL  19          3HG1      VAL  19   4.753  -3.217  -8.085
  135   1HG2  VAL  19          1HG2      VAL  19   8.142  -2.349  -6.305
  136   2HG2  VAL  19          2HG2      VAL  19   7.263  -2.482  -4.762
  137   3HG2  VAL  19          3HG2      VAL  19   7.426  -3.905  -5.819
  138    H    ASP  20           H        ASP  20   4.256   0.675  -5.785
  139    HA   ASP  20           HA       ASP  20   2.328   1.516  -6.305
  140   1HB   ASP  20          1HB       ASP  20   3.262   2.596  -8.213
  141   2HB   ASP  20          2HB       ASP  20   3.459   1.089  -9.086
  142    H    CYS  21           H        CYS  21   0.471   0.335  -5.826
  143    HA   CYS  21           HA       CYS  21   0.188  -2.300  -6.939
  144   1HB   CYS  21          1HB       CYS  21  -0.405  -1.264  -4.511
  145   2HB   CYS  21          2HB       CYS  21  -1.975  -1.139  -5.280
  146    H    GLY  22           H        GLY  22  -0.829   0.989  -7.546
  147   1HA   GLY  22          1HA       GLY  22  -2.154   0.312  -9.947
  148   2HA   GLY  22          2HA       GLY  22  -2.099   1.884  -9.173
  149    H    TYR  23           H        TYR  23  -3.783   2.551  -7.742
  150    HA   TYR  23           HA       TYR  23  -6.196   0.923  -8.008
  151   1HB   TYR  23          1HB       TYR  23  -4.654   1.847  -5.559
  152   2HB   TYR  23          2HB       TYR  23  -6.401   1.931  -5.452
  153    HD1  TYR  23           HD1      TYR  23  -7.654  -0.311  -6.232
  154    HD2  TYR  23           HD2      TYR  23  -3.608  -0.104  -4.858
  155    HE1  TYR  23           HE1      TYR  23  -7.728  -2.778  -5.618
  156    HE2  TYR  23           HE2      TYR  23  -3.696  -2.571  -4.248
  157    HH   TYR  23           HH       TYR  23  -4.872  -4.375  -4.225
  158    HA   PRO  24           HA       PRO  24  -7.947   4.813  -8.740
  159   1HB   PRO  24          1HB       PRO  24 -10.597   4.261  -8.368
  160   2HB   PRO  24          2HB       PRO  24  -9.737   3.877  -9.845
  161   1HG   PRO  24          1HG       PRO  24 -10.607   2.060  -7.681
  162   2HG   PRO  24          2HG       PRO  24 -10.141   1.667  -9.324
  163   1HD   PRO  24          1HD       PRO  24  -8.558   1.311  -6.959
  164   2HD   PRO  24          2HD       PRO  24  -8.051   1.026  -8.612
  165    H    HIS  25           H        HIS  25 -10.086   3.606  -6.216
  166    HA   HIS  25           HA       HIS  25  -9.695   6.132  -4.865
  167   1HB   HIS  25          1HB       HIS  25 -11.603   5.525  -3.548
  168   2HB   HIS  25          2HB       HIS  25 -11.963   5.226  -5.237
  169    HD1  HIS  25           HD1      HIS  25 -13.700   3.767  -3.280
  170    HD2  HIS  25           HD2      HIS  25 -10.049   2.197  -4.620
  171    HE1  HIS  25           HE1      HIS  25 -13.831   1.245  -2.918
  172    HE2  HIS  25           HE2      HIS  25 -11.581   0.329  -3.811
  173    H    VAL  26           H        VAL  26  -7.493   5.887  -4.161
  174    HA   VAL  26           HA       VAL  26  -7.015   3.685  -2.309
  175    HB   VAL  26           HB       VAL  26  -4.670   4.478  -2.436
  176   1HG1  VAL  26          1HG1      VAL  26  -6.043   3.842  -5.068
  177   2HG1  VAL  26          2HG1      VAL  26  -4.287   3.754  -4.791
  178   3HG1  VAL  26          3HG1      VAL  26  -5.385   2.682  -3.890
  179   1HG2  VAL  26          1HG2      VAL  26  -5.807   6.830  -3.433
  180   2HG2  VAL  26          2HG2      VAL  26  -4.074   6.431  -3.348
  181   3HG2  VAL  26          3HG2      VAL  26  -4.993   6.094  -4.835
  182    H    THR  27           H        THR  27  -6.731   3.972  -0.110
  183    HA   THR  27           HA       THR  27  -6.449   6.650   0.941
  184    HB   THR  27           HB       THR  27  -8.565   6.787   1.978
  185    HG1  THR  27           HG1      THR  27  -9.776   4.721   2.267
  186   1HG2  THR  27          1HG2      THR  27  -9.074   5.049  -0.494
  187   2HG2  THR  27          2HG2      THR  27 -10.337   5.927   0.402
  188   3HG2  THR  27          3HG2      THR  27  -9.061   6.828  -0.451
  189    HA   PRO  28           HA       PRO  28  -4.526   4.558   4.160
  190   1HB   PRO  28          1HB       PRO  28  -5.200   5.925   6.429
  191   2HB   PRO  28          2HB       PRO  28  -3.996   6.493   5.290
  192   1HG   PRO  28          1HG       PRO  28  -6.760   7.458   5.701
  193   2HG   PRO  28          2HG       PRO  28  -5.426   8.260   4.896
  194   1HD   PRO  28          1HD       PRO  28  -7.654   6.958   3.643
  195   2HD   PRO  28          2HD       PRO  28  -6.262   7.658   2.840
  196    H    LYS  29           H        LYS  29  -6.875   3.270   3.313
  197    HA   LYS  29           HA       LYS  29  -7.128   1.428   5.372
  198   1HB   LYS  29          1HB       LYS  29  -8.381   3.541   6.304
  199   2HB   LYS  29          2HB       LYS  29  -9.664   3.034   5.224
  200   1HG   LYS  29          1HG       LYS  29  -8.444   0.871   6.900
  201   2HG   LYS  29          2HG       LYS  29  -9.367   2.080   7.771
  202   1HD   LYS  29          1HD       LYS  29 -10.904   1.417   5.448
  203   2HD   LYS  29          2HD       LYS  29 -10.336  -0.102   6.111
  204   1HE   LYS  29          1HE       LYS  29 -11.111   1.227   8.414
  205   2HE   LYS  29          2HE       LYS  29 -12.264   1.859   7.256
  206   1HZ   LYS  29          1HZ       LYS  29 -12.459  -0.621   6.615
  207   2HZ   LYS  29          2HZ       LYS  29 -11.874  -0.887   8.116
  208   3HZ   LYS  29          3HZ       LYS  29 -13.263  -0.052   7.917
  209    H    GLU  30           H        GLU  30  -8.825   3.128   2.674
  210    HA   GLU  30           HA       GLU  30 -10.123   0.769   1.843
  211   1HB   GLU  30          1HB       GLU  30 -11.075   2.963   1.343
  212   2HB   GLU  30          2HB       GLU  30  -9.640   3.441   0.459
  213   1HG   GLU  30          1HG       GLU  30 -10.332   2.386  -1.438
  214   2HG   GLU  30          2HG       GLU  30 -10.718   0.911  -0.573
  215    H    CYS  31           H        CYS  31  -7.078   2.464   0.993
  216    HA   CYS  31           HA       CYS  31  -6.564   0.823  -1.262
  217   1HB   CYS  31          1HB       CYS  31  -5.498   2.838  -1.442
  218   2HB   CYS  31          2HB       CYS  31  -5.098   2.920   0.262
  219    H    ASN  32           H        ASN  32  -6.078   0.676   2.242
  220    HA   ASN  32           HA       ASN  32  -4.186  -1.477   1.963
  221   1HB   ASN  32          1HB       ASN  32  -5.425  -0.470   4.564
  222   2HB   ASN  32          2HB       ASN  32  -3.887  -1.283   4.358
  223   2HD2  ASN  32          2HD2      ASN  32  -2.205  -0.036   4.548
  224   1HD2  ASN  32          1HD2      ASN  32  -2.073   1.636   4.115
  225    H    ASN  33           H        ASN  33  -7.491  -1.104   1.722
  226    HA   ASN  33           HA       ASN  33  -8.115  -3.476   3.265
  227   1HB   ASN  33          1HB       ASN  33  -9.649  -1.609   3.632
  228   2HB   ASN  33          2HB       ASN  33  -9.840  -1.346   1.910
  229   2HD2  ASN  33          2HD2      ASN  33 -11.871  -1.776   1.462
  230   1HD2  ASN  33          1HD2      ASN  33 -12.741  -3.220   1.859
  231    H    ARG  34           H        ARG  34  -8.227  -1.995  -0.029
  232    HA   ARG  34           HA       ARG  34  -9.572  -3.979  -1.327
  233   1HB   ARG  34          1HB       ARG  34  -8.448  -1.608  -2.068
  234   2HB   ARG  34          2HB       ARG  34  -7.254  -2.692  -2.754
  235   1HG   ARG  34          1HG       ARG  34 -10.259  -2.840  -3.288
  236   2HG   ARG  34          2HG       ARG  34  -9.081  -2.132  -4.376
  237   1HD   ARG  34          1HD       ARG  34  -7.878  -4.485  -4.205
  238   2HD   ARG  34          2HD       ARG  34  -9.428  -5.050  -3.613
  239    HE   ARG  34           HE       ARG  34 -10.164  -3.680  -5.872
  240   1HH1  ARG  34          1HH1      ARG  34  -7.699  -6.123  -5.292
  241   2HH1  ARG  34          2HH1      ARG  34  -7.768  -6.758  -6.902
  242   1HH2  ARG  34          1HH2      ARG  34 -10.257  -4.518  -7.995
  243   2HH2  ARG  34          2HH2      ARG  34  -9.233  -5.839  -8.450
  244    H    GLY  35           H        GLY  35  -6.238  -3.844  -0.131
  245   1HA   GLY  35          1HA       GLY  35  -5.704  -6.471  -1.389
  246   2HA   GLY  35          2HA       GLY  35  -5.301  -6.091   0.274
  247    H    CYS  36           H        CYS  36  -3.797  -4.154   0.638
  248    HA   CYS  36           HA       CYS  36  -1.427  -4.530  -0.612
  249   1HB   CYS  36          1HB       CYS  36  -3.134  -3.200  -2.412
  250   2HB   CYS  36          2HB       CYS  36  -2.044  -1.970  -1.804
  251    H    CYS  37           H        CYS  37  -0.507  -1.729  -0.665
  252    HA   CYS  37           HA       CYS  37  -1.091  -1.004   2.114
  253   1HB   CYS  37          1HB       CYS  37   1.491  -1.279   0.663
  254   2HB   CYS  37          2HB       CYS  37   1.343   0.066   1.776
  255    H    PHE  38           H        PHE  38  -1.048   1.353   2.539
  256    HA   PHE  38           HA       PHE  38  -1.483   2.893   0.076
  257   1HB   PHE  38          1HB       PHE  38  -3.545   2.561   1.421
  258   2HB   PHE  38          2HB       PHE  38  -2.698   2.980   2.897
  259    HD1  PHE  38           HD1      PHE  38  -3.950   4.360  -0.300
  260    HD2  PHE  38           HD2      PHE  38  -2.523   5.229   3.601
  261    HE1  PHE  38           HE1      PHE  38  -4.654   6.753  -0.576
  262    HE2  PHE  38           HE2      PHE  38  -3.227   7.623   3.325
  263    HZ   PHE  38           HZ       PHE  38  -4.284   8.356   1.240
  264    H    ASP  39           H        ASP  39  -1.277   5.400   0.625
  265    HA   ASP  39           HA       ASP  39   0.358   6.194   2.686
  266   1HB   ASP  39          1HB       ASP  39   2.122   4.865   1.574
  267   2HB   ASP  39          2HB       ASP  39   1.810   5.673   0.050
  268    H    SER  40           H        SER  40   0.524   8.529   2.617
  269    HA   SER  40           HA       SER  40  -0.297   9.747   0.110
  270   1HB   SER  40          1HB       SER  40  -1.830  11.265   1.296
  271   2HB   SER  40          2HB       SER  40  -2.307   9.598   1.546
  272    HG   SER  40           HG       SER  40  -2.382  10.526   3.576
  273    H    ARG  41           H        ARG  41   2.248   9.338   1.862
  274    HA   ARG  41           HA       ARG  41   2.894  11.730   3.046
  275   1HB   ARG  41          1HB       ARG  41   4.109   9.301   2.833
  276   2HB   ARG  41          2HB       ARG  41   5.069  10.176   1.657
  277   1HG   ARG  41          1HG       ARG  41   5.691  11.865   3.321
  278   2HG   ARG  41          2HG       ARG  41   4.576  11.191   4.494
  279   1HD   ARG  41          1HD       ARG  41   5.917   8.996   4.340
  280   2HD   ARG  41          2HD       ARG  41   7.106   9.877   3.402
  281    HE   ARG  41           HE       ARG  41   6.621  10.121   6.281
  282   1HH1  ARG  41          1HH1      ARG  41   7.946  11.717   3.437
  283   2HH1  ARG  41          2HH1      ARG  41   9.002  12.744   4.348
  284   1HH2  ARG  41          1HH2      ARG  41   8.014  11.477   7.483
  285   2HH2  ARG  41          2HH2      ARG  41   9.041  12.607   6.665
  286    H    ILE  42           H        ILE  42   3.313  10.536  -0.335
  287    HA   ILE  42           HA       ILE  42   3.522  13.272  -1.230
  288    HB   ILE  42           HB       ILE  42   5.574  12.213  -2.668
  289   1HG1  ILE  42          1HG1      ILE  42   7.149  11.204  -1.053
  290   2HG1  ILE  42          2HG1      ILE  42   5.887  11.170   0.163
  291   1HG2  ILE  42          1HG2      ILE  42   5.729  13.800  -0.091
  292   2HG2  ILE  42          2HG2      ILE  42   7.025  13.659  -1.304
  293   3HG2  ILE  42          3HG2      ILE  42   5.489  14.451  -1.730
  294   1HD1  ILE  42          1HD1      ILE  42   5.165   9.945  -2.467
  295   2HD1  ILE  42          2HD1      ILE  42   6.400   9.086  -1.515
  296   3HD1  ILE  42          3HD1      ILE  42   4.793   9.397  -0.815
  297    HA   PRO  43           HA       PRO  43   1.160  11.343  -4.308
  298   1HB   PRO  43          1HB       PRO  43   0.791  13.492  -5.956
  299   2HB   PRO  43          2HB       PRO  43  -0.184  13.200  -4.530
  300   1HG   PRO  43          1HG       PRO  43   1.974  15.181  -4.926
  301   2HG   PRO  43          2HG       PRO  43   0.724  15.150  -3.698
  302   1HD   PRO  43          1HD       PRO  43   3.480  14.430  -3.360
  303   2HD   PRO  43          2HD       PRO  43   2.205  14.290  -2.165
  304    H    GLY  44           H        GLY  44   4.076  13.061  -5.056
  305   1HA   GLY  44          1HA       GLY  44   5.731  12.520  -6.489
  306   2HA   GLY  44          2HA       GLY  44   4.455  12.494  -7.690
  307    H    VAL  45           H        VAL  45   4.475  10.234  -4.929
  308    HA   VAL  45           HA       VAL  45   5.376   8.112  -6.741
  309    HB   VAL  45           HB       VAL  45   6.335   7.079  -4.975
  310   1HG1  VAL  45          1HG1      VAL  45   6.218   9.992  -4.158
  311   2HG1  VAL  45          2HG1      VAL  45   7.215   8.791  -3.303
  312   3HG1  VAL  45          3HG1      VAL  45   7.516   9.134  -5.023
  313   1HG2  VAL  45          1HG2      VAL  45   4.023   8.149  -3.388
  314   2HG2  VAL  45          2HG2      VAL  45   4.608   6.478  -3.569
  315   3HG2  VAL  45          3HG2      VAL  45   5.493   7.623  -2.533
  316    HA   PRO  46           HA       PRO  46   1.520   6.169  -6.491
  317   1HB   PRO  46          1HB       PRO  46   2.054   3.513  -6.132
  318   2HB   PRO  46          2HB       PRO  46   2.209   4.321  -7.679
  319   1HG   PRO  46          1HG       PRO  46   4.338   3.451  -5.822
  320   2HG   PRO  46          2HG       PRO  46   4.464   3.860  -7.521
  321   1HD   PRO  46          1HD       PRO  46   5.253   5.494  -5.299
  322   2HD   PRO  46          2HD       PRO  46   5.271   5.947  -6.992
  323    H    TRP  47           H        TRP  47   0.645   7.285  -4.712
  324    HA   TRP  47           HA       TRP  47   0.993   6.950  -2.144
  325   1HB   TRP  47          1HB       TRP  47  -1.496   7.213  -3.756
  326   2HB   TRP  47          2HB       TRP  47  -1.671   6.862  -2.048
  327    HD1  TRP  47           HD1      TRP  47   1.197   9.159  -3.207
  328    HE1  TRP  47           HE1      TRP  47   0.846  11.633  -2.358
  329    HE3  TRP  47           HE3      TRP  47  -3.498   8.428  -1.396
  330    HZ2  TRP  47           HZ2      TRP  47  -1.308  12.976  -1.054
  331    HZ3  TRP  47           HZ3      TRP  47  -4.655  10.373  -0.351
  332    HH2  TRP  47           HH2      TRP  47  -3.635  12.587  -0.164
  333    H    CYS  48           H        CYS  48  -1.030   4.654  -4.118
  334    HA   CYS  48           HA       CYS  48  -0.889   2.757  -1.934
  335   1HB   CYS  48          1HB       CYS  48  -2.991   3.348  -3.333
  336   2HB   CYS  48          2HB       CYS  48  -2.293   2.303  -4.554
  337    H    PHE  49           H        PHE  49   0.873   1.406  -1.877
  338    HA   PHE  49           HA       PHE  49   1.835   0.380  -4.442
  339   1HB   PHE  49          1HB       PHE  49   4.172   0.607  -3.292
  340   2HB   PHE  49          2HB       PHE  49   3.436   2.102  -3.835
  341    HD1  PHE  49           HD1      PHE  49   3.618  -0.056  -0.795
  342    HD2  PHE  49           HD2      PHE  49   3.314   3.876  -2.360
  343    HE1  PHE  49           HE1      PHE  49   3.809   0.881   1.525
  344    HE2  PHE  49           HE2      PHE  49   3.505   4.814  -0.039
  345    HZ   PHE  49           HZ       PHE  49   3.750   3.306   1.875
  346    H    LYS  50           H        LYS  50   3.283  -1.603  -4.109
  347    HA   LYS  50           HA       LYS  50   1.902  -3.431  -2.475
  348   1HB   LYS  50          1HB       LYS  50   4.493  -3.619  -4.033
  349   2HB   LYS  50          2HB       LYS  50   3.776  -4.975  -3.187
  350   1HG   LYS  50          1HG       LYS  50   1.591  -4.035  -4.588
  351   2HG   LYS  50          2HG       LYS  50   2.887  -3.619  -5.691
  352   1HD   LYS  50          1HD       LYS  50   3.501  -6.245  -4.804
  353   2HD   LYS  50          2HD       LYS  50   1.768  -6.253  -5.064
  354   1HE   LYS  50          1HE       LYS  50   2.820  -4.834  -7.284
  355   2HE   LYS  50          2HE       LYS  50   3.935  -6.163  -7.039
  356   1HZ   LYS  50          1HZ       LYS  50   1.775  -7.517  -6.834
  357   2HZ   LYS  50          2HZ       LYS  50   1.090  -6.269  -7.633
  358   3HZ   LYS  50          3HZ       LYS  50   2.318  -7.100  -8.316
  359    HA   PRO  51           HA       PRO  51   4.111  -3.208   1.224
  360   1HB   PRO  51          1HB       PRO  51   4.136  -5.791   2.115
  361   2HB   PRO  51          2HB       PRO  51   2.740  -4.741   2.258
  362   1HG   PRO  51          1HG       PRO  51   3.192  -6.978   0.379
  363   2HG   PRO  51          2HG       PRO  51   1.683  -6.208   0.826
  364   1HD   PRO  51          1HD       PRO  51   3.150  -5.826  -1.610
  365   2HD   PRO  51          2HD       PRO  51   1.704  -4.971  -1.113
  366    H    LEU  52           H        LEU  52   6.151  -2.680   1.663
  367    HA   LEU  52           HA       LEU  52   8.236  -3.245   0.134
  368   1HB   LEU  52          1HB       LEU  52   8.549  -1.740   1.868
  369   2HB   LEU  52          2HB       LEU  52   8.011  -2.868   3.097
  370    HG   LEU  52           HG       LEU  52  10.590  -3.218   1.552
  371   1HD1  LEU  52          1HD1      LEU  52  10.100  -1.786   4.172
  372   2HD1  LEU  52          2HD1      LEU  52  11.699  -2.357   3.636
  373   3HD1  LEU  52          3HD1      LEU  52  10.825  -1.135   2.682
  374   1HD2  LEU  52          1HD2      LEU  52   9.143  -4.875   3.385
  375   2HD2  LEU  52          2HD2      LEU  52  10.684  -5.192   2.553
  376   3HD2  LEU  52          3HD2      LEU  52  10.678  -4.377   4.136
  377    H    GLN  53           H        GLN  53   9.592  -4.917  -0.401
  378    HA   GLN  53           HA       GLN  53   8.704  -7.490   0.088
  379   1HB   GLN  53          1HB       GLN  53  10.904  -8.169  -0.948
  380   2HB   GLN  53          2HB       GLN  53  10.001  -7.001  -1.892
  381   1HG   GLN  53          1HG       GLN  53  11.799  -5.713   0.068
  382   2HG   GLN  53          2HG       GLN  53  12.665  -6.739  -1.058
  383   2HE2  GLN  53          2HE2      GLN  53  11.178  -3.764  -0.539
  384   1HE2  GLN  53          1HE2      GLN  53  11.206  -3.126  -2.149
  385    H    GLU  54           H        GLU  54   8.458  -7.584   2.446
  386    HA   GLU  54           HA       GLU  54  10.374  -7.081   4.270
  387   1HB   GLU  54          1HB       GLU  54   9.076  -8.328   5.777
  388   2HB   GLU  54          2HB       GLU  54   7.914  -7.924   4.530
  389   1HG   GLU  54          1HG       GLU  54   8.591 -10.196   3.426
  390   2HG   GLU  54          2HG       GLU  54   9.344 -10.574   4.963
  391    H    ALA  55           H        ALA  55  12.442  -7.789   4.541
  392    HA   ALA  55           HA       ALA  55  12.998 -10.605   4.142
  393   1HB   ALA  55          1HB       ALA  55  14.236 -10.407   2.264
  394   2HB   ALA  55          2HB       ALA  55  15.033  -8.927   2.849
  395   3HB   ALA  55          3HB       ALA  55  13.447  -8.826   2.048
  396    H    GLU  56           H        GLU  56  13.023 -10.226   6.549
  397    HA   GLU  56           HA       GLU  56  15.685  -9.305   7.267
  398   1HB   GLU  56          1HB       GLU  56  13.046  -8.407   8.417
  399   2HB   GLU  56          2HB       GLU  56  14.418  -8.543   9.499
  400   1HG   GLU  56          1HG       GLU  56  15.336  -6.628   8.695
  401   2HG   GLU  56          2HG       GLU  56  15.252  -7.214   7.045
  402    H    CYS  57           H        CYS  57  16.790 -10.818   8.452
  403    HA   CYS  57           HA       CYS  57  15.179 -12.763   9.922
  404   1HB   CYS  57          1HB       CYS  57  16.947 -14.475   9.241
  405   2HB   CYS  57          2HB       CYS  57  15.708 -14.050   8.077
  406    H    THR  58           H        THR  58  15.741 -12.496  12.054
  407    HA   THR  58           HA       THR  58  18.529 -11.724  12.615
  408    HB   THR  58           HB       THR  58  16.703 -10.034  13.153
  409    HG1  THR  58           HG1      THR  58  18.256  -9.691  14.691
  410   1HG2  THR  58          1HG2      THR  58  15.182 -12.126  14.025
  411   2HG2  THR  58          2HG2      THR  58  15.989 -11.698  15.552
  412   3HG2  THR  58          3HG2      THR  58  15.014 -10.484  14.691
  413    H    PHE  59           H        PHE  59  15.802 -13.888  13.433
  414    HA   PHE  59           HA       PHE  59  16.913 -15.104  15.643
  415   1HB   PHE  59          1HB       PHE  59  14.586 -15.416  14.772
  416   2HB   PHE  59          2HB       PHE  59  15.208 -16.141  13.302
  417    HD1  PHE  59           HD1      PHE  59  16.210 -18.408  13.369
  418    HD2  PHE  59           HD2      PHE  59  14.344 -16.699  16.776
  419    HE1  PHE  59           HE1      PHE  59  16.052 -20.681  14.422
  420    HE2  PHE  59           HE2      PHE  59  14.186 -18.972  17.829
  421    HZ   PHE  59           HZ       PHE  59  15.042 -20.936  16.639

  No H/Q in entry =         421
  Start of MODEL    2
    1    H    GLU   1           H        GLU   1  11.649 -15.814  12.278
    2    HA   GLU   1           HA       GLU   1  11.627 -16.861  14.556
    3   1HB   GLU   1          1HB       GLU   1  14.110 -15.174  14.589
    4   2HB   GLU   1          2HB       GLU   1  13.149 -15.196  16.054
    5   1HG   GLU   1          1HG       GLU   1  13.618 -17.413  16.502
    6   2HG   GLU   1          2HG       GLU   1  13.600 -17.873  14.811
    7    H    GLU   2           H        GLU   2  12.559 -13.373  14.056
    8    HA   GLU   2           HA       GLU   2   9.859 -12.727  14.954
    9   1HB   GLU   2          1HB       GLU   2  11.572 -11.972  16.551
   10   2HB   GLU   2          2HB       GLU   2  12.446 -11.144  15.277
   11   1HG   GLU   2          1HG       GLU   2  11.093  -9.319  15.407
   12   2HG   GLU   2          2HG       GLU   2   9.643 -10.298  15.307
   13    H    TYR   3           H        TYR   3   8.609 -12.184  13.216
   14    HA   TYR   3           HA       TYR   3   9.892 -10.541  11.137
   15   1HB   TYR   3          1HB       TYR   3   8.577 -11.828   9.561
   16   2HB   TYR   3          2HB       TYR   3   9.128 -13.034  10.706
   17    HD1  TYR   3           HD1      TYR   3   7.542 -13.787  12.553
   18    HD2  TYR   3           HD2      TYR   3   6.260 -11.421   9.227
   19    HE1  TYR   3           HE1      TYR   3   5.130 -14.459  12.995
   20    HE2  TYR   3           HE2      TYR   3   3.853 -12.102   9.680
   21    HH   TYR   3           HH       TYR   3   3.086 -14.382  12.291
   22    H    VAL   4           H        VAL   4   8.922  -8.614  10.632
   23    HA   VAL   4           HA       VAL   4   6.303  -8.140  11.879
   24    HB   VAL   4           HB       VAL   4   7.028  -5.765  12.011
   25   1HG1  VAL   4          1HG1      VAL   4   8.599  -7.873  13.519
   26   2HG1  VAL   4          2HG1      VAL   4   8.646  -6.141  13.929
   27   3HG1  VAL   4          3HG1      VAL   4   7.110  -7.037  14.023
   28   1HG2  VAL   4          1HG2      VAL   4   9.731  -6.910  11.230
   29   2HG2  VAL   4          2HG2      VAL   4   8.758  -5.740  10.307
   30   3HG2  VAL   4          3HG2      VAL   4   9.460  -5.273  11.875
   31    H    GLY   5           H        GLY   5   4.719  -8.046  10.379
   32   1HA   GLY   5          1HA       GLY   5   4.739  -8.230   7.770
   33   2HA   GLY   5          2HA       GLY   5   5.244  -6.557   7.910
   34    H    LEU   6           H        LEU   6   3.561  -6.578  10.613
   35    HA   LEU   6           HA       LEU   6   0.904  -6.545   9.409
   36   1HB   LEU   6          1HB       LEU   6   0.067  -6.549  11.651
   37   2HB   LEU   6          2HB       LEU   6   1.232  -7.843  11.446
   38    HG   LEU   6           HG       LEU   6   2.611  -5.529  12.438
   39   1HD1  LEU   6          1HD1      LEU   6   0.008  -6.167  13.808
   40   2HD1  LEU   6          2HD1      LEU   6   1.405  -5.548  14.721
   41   3HD1  LEU   6          3HD1      LEU   6   0.712  -4.586  13.394
   42   1HD2  LEU   6          1HD2      LEU   6   1.978  -8.240  13.632
   43   2HD2  LEU   6          2HD2      LEU   6   3.430  -7.774  12.713
   44   3HD2  LEU   6          3HD2      LEU   6   3.130  -7.068  14.319
   45    H    SER   7           H        SER   7   0.904  -4.648   8.175
   46    HA   SER   7           HA       SER   7   0.714  -2.526   7.770
   47   1HB   SER   7          1HB       SER   7  -0.446  -1.161   9.295
   48   2HB   SER   7          2HB       SER   7  -0.888  -2.777   9.811
   49    HG   SER   7           HG       SER   7   1.047  -0.997  11.005
   50    H    ALA   8           H        ALA   8   1.933  -0.491   7.741
   51    HA   ALA   8           HA       ALA   8   3.739   0.770   7.958
   52   1HB   ALA   8          1HB       ALA   8   4.642   1.113  10.079
   53   2HB   ALA   8          2HB       ALA   8   4.541  -0.610  10.516
   54   3HB   ALA   8          3HB       ALA   8   3.067   0.387  10.478
   55    H    ASN   9           H        ASN   9   4.905  -2.262   9.584
   56    HA   ASN   9           HA       ASN   9   7.332  -2.316   8.444
   57   1HB   ASN   9          1HB       ASN   9   5.613  -4.809   8.895
   58   2HB   ASN   9          2HB       ASN   9   7.363  -4.730   8.944
   59   2HD2  ASN   9          2HD2      ASN   9   4.577  -4.709  10.732
   60   1HD2  ASN   9          1HD2      ASN   9   5.152  -4.055  12.229
   61    H    GLN  10           H        GLN  10   4.176  -3.030   7.016
   62    HA   GLN  10           HA       GLN  10   5.362  -4.376   4.765
   63   1HB   GLN  10          1HB       GLN  10   2.829  -4.296   4.017
   64   2HB   GLN  10          2HB       GLN  10   3.335  -5.401   5.280
   65   1HG   GLN  10          1HG       GLN  10   2.462  -4.015   7.018
   66   2HG   GLN  10          2HG       GLN  10   2.395  -2.601   5.985
   67   2HE2  GLN  10          2HE2      GLN  10   1.251  -5.978   5.861
   68   1HE2  GLN  10          1HE2      GLN  10  -0.387  -5.637   5.411
   69    H    CYS  11           H        CYS  11   3.844  -1.254   5.659
   70    HA   CYS  11           HA       CYS  11   4.378  -0.323   2.936
   71   1HB   CYS  11          1HB       CYS  11   2.775   1.392   4.716
   72   2HB   CYS  11          2HB       CYS  11   2.568   1.010   3.018
   73    H    ALA  12           H        ALA  12   6.576  -0.691   4.659
   74    HA   ALA  12           HA       ALA  12   7.091   1.966   5.773
   75   1HB   ALA  12          1HB       ALA  12   9.199   0.522   6.576
   76   2HB   ALA  12          2HB       ALA  12   7.642   0.468   7.436
   77   3HB   ALA  12          3HB       ALA  12   8.069  -0.821   6.285
   78    H    VAL  13           H        VAL  13   6.939   1.774   2.942
   79    HA   VAL  13           HA       VAL  13   9.710   1.589   2.068
   80    HB   VAL  13           HB       VAL  13   7.672   2.375   0.121
   81   1HG1  VAL  13          1HG1      VAL  13  10.094   0.804   0.297
   82   2HG1  VAL  13          2HG1      VAL  13   8.811  -0.124  -0.516
   83   3HG1  VAL  13          3HG1      VAL  13   9.281   1.477  -1.137
   84   1HG2  VAL  13          1HG2      VAL  13   7.261  -0.074   1.829
   85   2HG2  VAL  13          2HG2      VAL  13   6.070   1.117   1.253
   86   3HG2  VAL  13          3HG2      VAL  13   6.763  -0.067   0.119
   87    HA   PRO  14           HA       PRO  14  10.217   5.879   2.061
   88   1HB   PRO  14          1HB       PRO  14  12.144   6.207   0.150
   89   2HB   PRO  14          2HB       PRO  14  12.495   5.687   1.787
   90   1HG   PRO  14          1HG       PRO  14  12.442   4.084  -0.697
   91   2HG   PRO  14          2HG       PRO  14  13.188   3.700   0.842
   92   1HD   PRO  14          1HD       PRO  14  10.729   2.639  -0.187
   93   2HD   PRO  14          2HD       PRO  14  11.416   2.345   1.399
   94    H    ALA  15           H        ALA  15  10.287   4.808  -1.313
   95    HA   ALA  15           HA       ALA  15   7.939   5.723  -2.161
   96   1HB   ALA  15          1HB       ALA  15   9.631   7.995  -1.365
   97   2HB   ALA  15          2HB       ALA  15   7.883   7.935  -1.696
   98   3HB   ALA  15          3HB       ALA  15   9.037   8.116  -3.038
   99    H    LYS  16           H        LYS  16  11.420   5.449  -2.574
  100    HA   LYS  16           HA       LYS  16  11.147   5.379  -5.469
  101   1HB   LYS  16          1HB       LYS  16  13.570   5.345  -5.498
  102   2HB   LYS  16          2HB       LYS  16  13.000   6.653  -4.481
  103   1HG   LYS  16          1HG       LYS  16  14.510   5.785  -2.981
  104   2HG   LYS  16          2HG       LYS  16  13.190   4.701  -2.590
  105   1HD   LYS  16          1HD       LYS  16  14.079   3.063  -4.300
  106   2HD   LYS  16          2HD       LYS  16  15.439   4.133  -4.578
  107   1HE   LYS  16          1HE       LYS  16  15.670   3.961  -1.898
  108   2HE   LYS  16          2HE       LYS  16  14.805   2.458  -2.150
  109   1HZ   LYS  16          1HZ       LYS  16  16.578   2.170  -4.000
  110   2HZ   LYS  16          2HZ       LYS  16  17.440   3.219  -3.092
  111   3HZ   LYS  16          3HZ       LYS  16  16.937   1.804  -2.449
  112    H    ASP  17           H        ASP  17  10.348   3.331  -3.066
  113    HA   ASP  17           HA       ASP  17  11.367   1.041  -4.557
  114   1HB   ASP  17          1HB       ASP  17  11.376   1.664  -1.696
  115   2HB   ASP  17          2HB       ASP  17  10.499   0.176  -1.989
  116    H    ARG  18           H        ARG  18   8.776   2.932  -4.404
  117    HA   ARG  18           HA       ARG  18   6.759   1.141  -3.572
  118   1HB   ARG  18          1HB       ARG  18   6.369   3.582  -5.359
  119   2HB   ARG  18          2HB       ARG  18   5.214   2.884  -4.242
  120   1HG   ARG  18          1HG       ARG  18   7.849   4.208  -3.441
  121   2HG   ARG  18          2HG       ARG  18   6.270   4.962  -3.333
  122   1HD   ARG  18          1HD       ARG  18   5.574   2.963  -1.835
  123   2HD   ARG  18          2HD       ARG  18   7.274   2.542  -1.772
  124    HE   ARG  18           HE       ARG  18   7.560   4.252  -0.221
  125   1HH1  ARG  18          1HH1      ARG  18   4.787   5.042  -2.239
  126   2HH1  ARG  18          2HH1      ARG  18   4.412   6.496  -1.376
  127   1HH2  ARG  18          1HH2      ARG  18   7.066   6.171   0.917
  128   2HH2  ARG  18          2HH2      ARG  18   5.717   7.143   0.431
  129    H    VAL  19           H        VAL  19   6.047  -0.599  -4.764
  130    HA   VAL  19           HA       VAL  19   6.746  -0.760  -7.550
  131    HB   VAL  19           HB       VAL  19   5.031  -2.721  -6.064
  132   1HG1  VAL  19          1HG1      VAL  19   6.164  -2.669  -8.603
  133   2HG1  VAL  19          2HG1      VAL  19   7.261  -3.715  -7.670
  134   3HG1  VAL  19          3HG1      VAL  19   5.526  -4.100  -7.758
  135   1HG2  VAL  19          1HG2      VAL  19   7.837  -1.970  -5.436
  136   2HG2  VAL  19          2HG2      VAL  19   6.583  -2.702  -4.407
  137   3HG2  VAL  19          3HG2      VAL  19   7.492  -3.712  -5.557
  138    H    ASP  20           H        ASP  20   4.225   0.625  -5.725
  139    HA   ASP  20           HA       ASP  20   2.285   1.447  -6.231
  140   1HB   ASP  20          1HB       ASP  20   3.203   2.563  -8.129
  141   2HB   ASP  20          2HB       ASP  20   3.409   1.070  -9.022
  142    H    CYS  21           H        CYS  21   0.426   0.254  -5.787
  143    HA   CYS  21           HA       CYS  21   0.191  -2.387  -6.892
  144   1HB   CYS  21          1HB       CYS  21  -0.451  -1.365  -4.485
  145   2HB   CYS  21          2HB       CYS  21  -2.006  -1.211  -5.278
  146    H    GLY  22           H        GLY  22  -0.925   0.896  -7.477
  147   1HA   GLY  22          1HA       GLY  22  -2.189   0.162  -9.918
  148   2HA   GLY  22          2HA       GLY  22  -2.125   1.752  -9.184
  149    H    TYR  23           H        TYR  23  -3.795   2.451  -7.734
  150    HA   TYR  23           HA       TYR  23  -6.230   0.850  -7.997
  151   1HB   TYR  23          1HB       TYR  23  -4.683   1.789  -5.558
  152   2HB   TYR  23          2HB       TYR  23  -6.428   1.906  -5.456
  153    HD1  TYR  23           HD1      TYR  23  -7.732  -0.315  -6.165
  154    HD2  TYR  23           HD2      TYR  23  -3.660  -0.180  -4.861
  155    HE1  TYR  23           HE1      TYR  23  -7.852  -2.770  -5.513
  156    HE2  TYR  23           HE2      TYR  23  -3.793  -2.634  -4.213
  157    HH   TYR  23           HH       TYR  23  -6.167  -4.190  -3.533
  158    HA   PRO  24           HA       PRO  24  -7.920   4.752  -8.808
  159   1HB   PRO  24          1HB       PRO  24 -10.583   4.222  -8.492
  160   2HB   PRO  24          2HB       PRO  24  -9.692   3.822  -9.948
  161   1HG   PRO  24          1HG       PRO  24 -10.625   2.026  -7.793
  162   2HG   PRO  24          2HG       PRO  24 -10.125   1.619  -9.422
  163   1HD   PRO  24          1HD       PRO  24  -8.599   1.266  -7.020
  164   2HD   PRO  24          2HD       PRO  24  -8.057   0.967  -8.660
  165    H    HIS  25           H        HIS  25 -10.031   3.509  -6.267
  166    HA   HIS  25           HA       HIS  25  -9.702   6.067  -4.947
  167   1HB   HIS  25          1HB       HIS  25 -11.645   5.533  -3.722
  168   2HB   HIS  25          2HB       HIS  25 -11.954   5.028  -5.371
  169    HD1  HIS  25           HD1      HIS  25 -13.458   3.841  -2.859
  170    HD2  HIS  25           HD2      HIS  25 -10.190   2.065  -4.799
  171    HE1  HIS  25           HE1      HIS  25 -13.578   1.349  -2.326
  172    HE2  HIS  25           HE2      HIS  25 -11.576   0.303  -3.589
  173    H    VAL  26           H        VAL  26  -7.506   5.849  -4.218
  174    HA   VAL  26           HA       VAL  26  -7.028   3.663  -2.345
  175    HB   VAL  26           HB       VAL  26  -4.687   4.468  -2.462
  176   1HG1  VAL  26          1HG1      VAL  26  -6.025   3.813  -5.108
  177   2HG1  VAL  26          2HG1      VAL  26  -4.275   3.714  -4.796
  178   3HG1  VAL  26          3HG1      VAL  26  -5.398   2.656  -3.908
  179   1HG2  VAL  26          1HG2      VAL  26  -5.559   6.855  -3.188
  180   2HG2  VAL  26          2HG2      VAL  26  -3.978   6.250  -3.739
  181   3HG2  VAL  26          3HG2      VAL  26  -5.387   6.177  -4.825
  182    H    THR  27           H        THR  27  -6.800   3.969  -0.148
  183    HA   THR  27           HA       THR  27  -6.557   6.672   0.872
  184    HB   THR  27           HB       THR  27  -8.665   6.729   1.955
  185    HG1  THR  27           HG1      THR  27  -9.832   4.619   2.164
  186   1HG2  THR  27          1HG2      THR  27  -9.145   5.047  -0.562
  187   2HG2  THR  27          2HG2      THR  27 -10.418   5.890   0.353
  188   3HG2  THR  27          3HG2      THR  27  -9.153   6.825  -0.480
  189    HA   PRO  28           HA       PRO  28  -4.529   4.673   4.085
  190   1HB   PRO  28          1HB       PRO  28  -5.172   6.095   6.328
  191   2HB   PRO  28          2HB       PRO  28  -3.997   6.644   5.150
  192   1HG   PRO  28          1HG       PRO  28  -6.762   7.593   5.591
  193   2HG   PRO  28          2HG       PRO  28  -5.452   8.385   4.738
  194   1HD   PRO  28          1HD       PRO  28  -7.691   7.028   3.565
  195   2HD   PRO  28          2HD       PRO  28  -6.322   7.720   2.717
  196    H    LYS  29           H        LYS  29  -6.904   3.359   3.321
  197    HA   LYS  29           HA       LYS  29  -7.090   1.560   5.428
  198   1HB   LYS  29          1HB       LYS  29  -8.335   3.690   6.337
  199   2HB   LYS  29          2HB       LYS  29  -9.641   3.144   5.304
  200   1HG   LYS  29          1HG       LYS  29  -8.503   0.904   6.820
  201   2HG   LYS  29          2HG       LYS  29  -9.012   2.190   7.895
  202   1HD   LYS  29          1HD       LYS  29 -10.993   1.725   5.772
  203   2HD   LYS  29          2HD       LYS  29 -10.672   0.259   6.676
  204   1HE   LYS  29          1HE       LYS  29 -10.845   2.205   8.687
  205   2HE   LYS  29          2HE       LYS  29 -12.059   2.725   7.535
  206   1HZ   LYS  29          1HZ       LYS  29 -11.857  -0.001   8.613
  207   2HZ   LYS  29          2HZ       LYS  29 -12.903   1.136   9.142
  208   3HZ   LYS  29          3HZ       LYS  29 -13.029   0.554   7.621
  209    H    GLU  30           H        GLU  30  -8.716   3.177   2.658
  210    HA   GLU  30           HA       GLU  30 -10.075   0.798   1.935
  211   1HB   GLU  30          1HB       GLU  30 -10.930   3.098   1.432
  212   2HB   GLU  30          2HB       GLU  30  -9.589   3.347   0.331
  213   1HG   GLU  30          1HG       GLU  30 -10.838   2.409  -1.311
  214   2HG   GLU  30          2HG       GLU  30 -10.705   0.875  -0.474
  215    H    CYS  31           H        CYS  31  -7.079   2.517   0.934
  216    HA   CYS  31           HA       CYS  31  -6.576   0.847  -1.276
  217   1HB   CYS  31          1HB       CYS  31  -5.463   2.830  -1.456
  218   2HB   CYS  31          2HB       CYS  31  -5.078   2.915   0.251
  219    H    ASN  32           H        ASN  32  -5.850   0.790   2.230
  220    HA   ASN  32           HA       ASN  32  -4.078  -1.430   1.925
  221   1HB   ASN  32          1HB       ASN  32  -3.451  -0.927   4.086
  222   2HB   ASN  32          2HB       ASN  32  -4.350   0.556   3.830
  223   2HD2  ASN  32          2HD2      ASN  32  -3.868  -1.790   5.959
  224   1HD2  ASN  32          1HD2      ASN  32  -5.403  -1.898   6.755
  225    H    ASN  33           H        ASN  33  -7.403  -0.998   1.777
  226    HA   ASN  33           HA       ASN  33  -8.013  -3.401   3.275
  227   1HB   ASN  33          1HB       ASN  33  -9.557  -1.607   3.751
  228   2HB   ASN  33          2HB       ASN  33  -9.696  -1.168   2.060
  229   2HD2  ASN  33          2HD2      ASN  33 -11.251  -2.011   0.856
  230   1HD2  ASN  33          1HD2      ASN  33 -12.335  -3.280   1.319
  231    H    ARG  34           H        ARG  34  -8.134  -1.866   0.011
  232    HA   ARG  34           HA       ARG  34  -9.549  -3.798  -1.299
  233   1HB   ARG  34          1HB       ARG  34  -8.383  -1.438  -2.015
  234   2HB   ARG  34          2HB       ARG  34  -7.229  -2.538  -2.743
  235   1HG   ARG  34          1HG       ARG  34  -9.104  -1.879  -4.298
  236   2HG   ARG  34          2HG       ARG  34  -8.959  -3.611  -4.076
  237   1HD   ARG  34          1HD       ARG  34 -10.734  -2.375  -2.063
  238   2HD   ARG  34          2HD       ARG  34 -11.290  -2.089  -3.700
  239    HE   ARG  34           HE       ARG  34 -10.687  -4.772  -3.760
  240   1HH1  ARG  34          1HH1      ARG  34 -12.615  -2.811  -1.564
  241   2HH1  ARG  34          2HH1      ARG  34 -13.690  -4.104  -1.149
  242   1HH2  ARG  34          1HH2      ARG  34 -12.105  -6.478  -3.212
  243   2HH2  ARG  34          2HH2      ARG  34 -13.398  -6.204  -2.093
  244    H    GLY  35           H        GLY  35  -6.238  -3.795  -0.081
  245   1HA   GLY  35          1HA       GLY  35  -5.756  -6.388  -1.425
  246   2HA   GLY  35          2HA       GLY  35  -5.339  -6.058   0.245
  247    H    CYS  36           H        CYS  36  -3.821  -4.109   0.628
  248    HA   CYS  36           HA       CYS  36  -1.445  -4.524  -0.602
  249   1HB   CYS  36          1HB       CYS  36  -3.114  -3.187  -2.424
  250   2HB   CYS  36          2HB       CYS  36  -2.029  -1.958  -1.805
  251    H    CYS  37           H        CYS  37  -0.514  -1.713  -0.667
  252    HA   CYS  37           HA       CYS  37  -1.094  -0.986   2.113
  253   1HB   CYS  37          1HB       CYS  37   1.489  -1.283   0.669
  254   2HB   CYS  37          2HB       CYS  37   1.349   0.069   1.776
  255    H    PHE  38           H        PHE  38  -1.077   1.361   2.535
  256    HA   PHE  38           HA       PHE  38  -1.487   2.903   0.069
  257   1HB   PHE  38          1HB       PHE  38  -3.548   2.590   1.416
  258   2HB   PHE  38          2HB       PHE  38  -2.697   3.000   2.892
  259    HD1  PHE  38           HD1      PHE  38  -4.003   4.380  -0.274
  260    HD2  PHE  38           HD2      PHE  38  -2.442   5.260   3.573
  261    HE1  PHE  38           HE1      PHE  38  -4.689   6.779  -0.545
  262    HE2  PHE  38           HE2      PHE  38  -3.127   7.660   3.302
  263    HZ   PHE  38           HZ       PHE  38  -4.242   8.391   1.247
  264    H    ASP  39           H        ASP  39  -1.277   5.414   0.629
  265    HA   ASP  39           HA       ASP  39   0.369   6.205   2.678
  266   1HB   ASP  39          1HB       ASP  39   2.127   4.863   1.577
  267   2HB   ASP  39          2HB       ASP  39   1.818   5.658   0.046
  268    H    SER  40           H        SER  40   0.547   8.537   2.599
  269    HA   SER  40           HA       SER  40  -0.254   9.753   0.086
  270   1HB   SER  40          1HB       SER  40  -1.783  11.291   1.274
  271   2HB   SER  40          2HB       SER  40  -2.284   9.624   1.480
  272    HG   SER  40           HG       SER  40  -2.204   9.994   3.579
  273    H    ARG  41           H        ARG  41   2.249   9.340   1.938
  274    HA   ARG  41           HA       ARG  41   2.888  11.745   3.087
  275   1HB   ARG  41          1HB       ARG  41   4.093   9.297   2.913
  276   2HB   ARG  41          2HB       ARG  41   5.099  10.180   1.782
  277   1HG   ARG  41          1HG       ARG  41   5.234  12.007   3.674
  278   2HG   ARG  41          2HG       ARG  41   4.656  10.737   4.735
  279   1HD   ARG  41          1HD       ARG  41   6.608   9.451   4.501
  280   2HD   ARG  41          2HD       ARG  41   6.972  10.090   2.911
  281    HE   ARG  41           HE       ARG  41   7.098  12.117   5.024
  282   1HH1  ARG  41          1HH1      ARG  41   8.895   9.625   3.308
  283   2HH1  ARG  41          2HH1      ARG  41  10.443  10.308   3.676
  284   1HH2  ARG  41          1HH2      ARG  41   9.141  13.019   5.510
  285   2HH2  ARG  41          2HH2      ARG  41  10.584  12.252   4.937
  286    H    ILE  42           H        ILE  42   3.263  10.532  -0.278
  287    HA   ILE  42           HA       ILE  42   3.578  13.247  -1.188
  288    HB   ILE  42           HB       ILE  42   5.604  12.116  -2.612
  289   1HG1  ILE  42          1HG1      ILE  42   7.145  11.081  -0.979
  290   2HG1  ILE  42          2HG1      ILE  42   5.878  11.095   0.231
  291   1HG2  ILE  42          1HG2      ILE  42   5.681  13.791  -0.092
  292   2HG2  ILE  42          2HG2      ILE  42   7.098  13.489  -1.126
  293   3HG2  ILE  42          3HG2      ILE  42   5.684  14.347  -1.783
  294   1HD1  ILE  42          1HD1      ILE  42   5.170   9.855  -2.404
  295   2HD1  ILE  42          2HD1      ILE  42   6.329   8.968  -1.385
  296   3HD1  ILE  42          3HD1      ILE  42   4.711   9.363  -0.756
  297    HA   PRO  43           HA       PRO  43   1.158  11.343  -4.242
  298   1HB   PRO  43          1HB       PRO  43   0.775  13.510  -5.862
  299   2HB   PRO  43          2HB       PRO  43  -0.186  13.203  -4.430
  300   1HG   PRO  43          1HG       PRO  43   1.970  15.187  -4.825
  301   2HG   PRO  43          2HG       PRO  43   0.732  15.143  -3.586
  302   1HD   PRO  43          1HD       PRO  43   3.490  14.417  -3.282
  303   2HD   PRO  43          2HD       PRO  43   2.227  14.264  -2.077
  304    H    GLY  44           H        GLY  44   4.053  13.093  -5.021
  305   1HA   GLY  44          1HA       GLY  44   5.698  12.557  -6.470
  306   2HA   GLY  44          2HA       GLY  44   4.409  12.546  -7.656
  307    H    VAL  45           H        VAL  45   4.464  10.253  -4.922
  308    HA   VAL  45           HA       VAL  45   5.339   8.153  -6.772
  309    HB   VAL  45           HB       VAL  45   6.332   7.106  -5.035
  310   1HG1  VAL  45          1HG1      VAL  45   6.193   9.992  -4.119
  311   2HG1  VAL  45          2HG1      VAL  45   7.251   8.773  -3.367
  312   3HG1  VAL  45          3HG1      VAL  45   7.467   9.204  -5.081
  313   1HG2  VAL  45          1HG2      VAL  45   4.029   8.127  -3.405
  314   2HG2  VAL  45          2HG2      VAL  45   4.626   6.464  -3.621
  315   3HG2  VAL  45          3HG2      VAL  45   5.513   7.600  -2.575
  316    HA   PRO  46           HA       PRO  46   1.490   6.201  -6.483
  317   1HB   PRO  46          1HB       PRO  46   2.029   3.543  -6.143
  318   2HB   PRO  46          2HB       PRO  46   2.166   4.359  -7.688
  319   1HG   PRO  46          1HG       PRO  46   4.316   3.480  -5.859
  320   2HG   PRO  46          2HG       PRO  46   4.422   3.898  -7.558
  321   1HD   PRO  46          1HD       PRO  46   5.236   5.521  -5.338
  322   2HD   PRO  46          2HD       PRO  46   5.234   5.982  -7.028
  323    H    TRP  47           H        TRP  47   0.597   7.285  -4.706
  324    HA   TRP  47           HA       TRP  47   0.985   6.945  -2.136
  325   1HB   TRP  47          1HB       TRP  47  -1.523   7.209  -3.721
  326   2HB   TRP  47          2HB       TRP  47  -1.673   6.861  -2.010
  327    HD1  TRP  47           HD1      TRP  47   1.192   9.148  -3.177
  328    HE1  TRP  47           HE1      TRP  47   0.845  11.627  -2.339
  329    HE3  TRP  47           HE3      TRP  47  -3.513   8.440  -1.383
  330    HZ2  TRP  47           HZ2      TRP  47  -1.310  12.982  -1.049
  331    HZ3  TRP  47           HZ3      TRP  47  -4.668  10.393  -0.350
  332    HH2  TRP  47           HH2      TRP  47  -3.642  12.604  -0.168
  333    H    CYS  48           H        CYS  48  -1.051   4.659  -4.108
  334    HA   CYS  48           HA       CYS  48  -0.892   2.750  -1.935
  335   1HB   CYS  48          1HB       CYS  48  -3.009   3.340  -3.296
  336   2HB   CYS  48          2HB       CYS  48  -2.320   2.329  -4.551
  337    H    PHE  49           H        PHE  49   0.883   1.415  -1.899
  338    HA   PHE  49           HA       PHE  49   1.827   0.406  -4.478
  339   1HB   PHE  49          1HB       PHE  49   4.168   0.617  -3.328
  340   2HB   PHE  49          2HB       PHE  49   3.434   2.116  -3.863
  341    HD1  PHE  49           HD1      PHE  49   3.614  -0.060  -0.835
  342    HD2  PHE  49           HD2      PHE  49   3.315   3.882  -2.377
  343    HE1  PHE  49           HE1      PHE  49   3.807   0.865   1.491
  344    HE2  PHE  49           HE2      PHE  49   3.508   4.807  -0.051
  345    HZ   PHE  49           HZ       PHE  49   3.752   3.287   1.855
  346    H    LYS  50           H        LYS  50   3.257  -1.588  -4.183
  347    HA   LYS  50           HA       LYS  50   1.885  -3.440  -2.583
  348   1HB   LYS  50          1HB       LYS  50   4.601  -3.730  -3.900
  349   2HB   LYS  50          2HB       LYS  50   3.547  -5.027  -3.375
  350   1HG   LYS  50          1HG       LYS  50   1.756  -3.945  -4.952
  351   2HG   LYS  50          2HG       LYS  50   3.098  -3.054  -5.644
  352   1HD   LYS  50          1HD       LYS  50   3.062  -4.946  -7.023
  353   2HD   LYS  50          2HD       LYS  50   4.253  -5.426  -5.831
  354   1HE   LYS  50          1HE       LYS  50   2.791  -6.924  -4.757
  355   2HE   LYS  50          2HE       LYS  50   1.354  -6.062  -5.273
  356   1HZ   LYS  50          1HZ       LYS  50   2.919  -7.105  -7.424
  357   2HZ   LYS  50          2HZ       LYS  50   2.303  -8.255  -6.442
  358   3HZ   LYS  50          3HZ       LYS  50   1.307  -7.186  -7.173
  359    HA   PRO  51           HA       PRO  51   4.032  -3.260   1.156
  360   1HB   PRO  51          1HB       PRO  51   4.085  -5.859   1.999
  361   2HB   PRO  51          2HB       PRO  51   2.670  -4.835   2.137
  362   1HG   PRO  51          1HG       PRO  51   3.192  -7.029   0.225
  363   2HG   PRO  51          2HG       PRO  51   1.662  -6.292   0.660
  364   1HD   PRO  51          1HD       PRO  51   3.163  -5.840  -1.742
  365   2HD   PRO  51          2HD       PRO  51   1.694  -5.019  -1.254
  366    H    LEU  52           H        LEU  52   6.054  -2.706   1.639
  367    HA   LEU  52           HA       LEU  52   8.171  -3.239   0.122
  368   1HB   LEU  52          1HB       LEU  52   8.457  -1.705   1.824
  369   2HB   LEU  52          2HB       LEU  52   7.882  -2.800   3.066
  370    HG   LEU  52           HG       LEU  52  10.499  -3.219   1.607
  371   1HD1  LEU  52          1HD1      LEU  52   9.825  -1.344   3.796
  372   2HD1  LEU  52          2HD1      LEU  52  11.279  -2.340   4.040
  373   3HD1  LEU  52          3HD1      LEU  52  11.143  -1.302   2.601
  374   1HD2  LEU  52          1HD2      LEU  52   8.997  -4.765   3.497
  375   2HD2  LEU  52          2HD2      LEU  52  10.548  -5.141   2.709
  376   3HD2  LEU  52          3HD2      LEU  52  10.525  -4.244   4.246
  377    H    GLN  53           H        GLN  53   9.515  -4.910  -0.413
  378    HA   GLN  53           HA       GLN  53   8.675  -7.488   0.240
  379   1HB   GLN  53          1HB       GLN  53  10.709  -8.204  -1.012
  380   2HB   GLN  53          2HB       GLN  53   9.783  -6.998  -1.883
  381   1HG   GLN  53          1HG       GLN  53  11.766  -5.749  -0.105
  382   2HG   GLN  53          2HG       GLN  53  12.525  -6.862  -1.226
  383   2HE2  GLN  53          2HE2      GLN  53  11.203  -3.802  -0.767
  384   1HE2  GLN  53          1HE2      GLN  53  11.170  -3.236  -2.404
  385    H    GLU  54           H        GLU  54   8.679  -7.184   2.673
  386    HA   GLU  54           HA       GLU  54  10.845  -6.683   4.179
  387   1HB   GLU  54          1HB       GLU  54   9.711  -7.790   5.970
  388   2HB   GLU  54          2HB       GLU  54   8.450  -7.174   4.921
  389   1HG   GLU  54          1HG       GLU  54   7.659  -9.333   5.119
  390   2HG   GLU  54          2HG       GLU  54   8.745  -9.605   3.770
  391    H    ALA  55           H        ALA  55  12.891  -7.499   4.084
  392    HA   ALA  55           HA       ALA  55  13.159 -10.404   3.930
  393   1HB   ALA  55          1HB       ALA  55  13.712 -10.127   1.736
  394   2HB   ALA  55          2HB       ALA  55  15.273  -9.595   2.406
  395   3HB   ALA  55          3HB       ALA  55  14.051  -8.391   1.934
  396    H    GLU  56           H        GLU  56  14.386 -11.081   5.612
  397    HA   GLU  56           HA       GLU  56  15.891 -11.124   7.179
  398   1HB   GLU  56          1HB       GLU  56  17.308 -10.049   5.163
  399   2HB   GLU  56          2HB       GLU  56  17.354  -8.667   6.239
  400   1HG   GLU  56          1HG       GLU  56  19.128  -9.701   7.228
  401   2HG   GLU  56          2HG       GLU  56  17.940 -10.742   7.986
  402    H    CYS  57           H        CYS  57  15.628  -7.554   6.497
  403    HA   CYS  57           HA       CYS  57  14.241  -7.245   9.016
  404   1HB   CYS  57          1HB       CYS  57  16.764  -7.080   9.410
  405   2HB   CYS  57          2HB       CYS  57  16.705  -5.589   8.491
  406    H    THR  58           H        THR  58  16.014  -5.317   6.475
  407    HA   THR  58           HA       THR  58  13.458  -4.170   5.653
  408    HB   THR  58           HB       THR  58  14.232  -2.587   7.341
  409    HG1  THR  58           HG1      THR  58  13.553  -1.638   5.315
  410   1HG2  THR  58          1HG2      THR  58  16.692  -3.364   7.283
  411   2HG2  THR  58          2HG2      THR  58  16.862  -2.411   5.790
  412   3HG2  THR  58          3HG2      THR  58  16.453  -1.601   7.321
  413    H    PHE  59           H        PHE  59  17.021  -4.420   5.127
  414    HA   PHE  59           HA       PHE  59  16.452  -4.915   2.334
  415   1HB   PHE  59          1HB       PHE  59  16.771  -2.375   2.774
  416   2HB   PHE  59          2HB       PHE  59  18.390  -2.745   3.334
  417    HD1  PHE  59           HD1      PHE  59  16.243  -3.453   0.355
  418    HD2  PHE  59           HD2      PHE  59  20.098  -2.459   1.822
  419    HE1  PHE  59           HE1      PHE  59  17.096  -3.286  -2.000
  420    HE2  PHE  59           HE2      PHE  59  20.951  -2.292  -0.533
  421    HZ   PHE  59           HZ       PHE  59  19.440  -2.707  -2.416

  No H/Q in entry =         421
  Start of MODEL    3
    1    H    GLU   1           H        GLU   1   6.888 -14.073  12.583
    2    HA   GLU   1           HA       GLU   1   6.256 -14.902  14.806
    3   1HB   GLU   1          1HB       GLU   1   8.594 -13.848  14.038
    4   2HB   GLU   1          2HB       GLU   1   8.177 -12.614  15.211
    5   1HG   GLU   1          1HG       GLU   1   7.853 -14.395  16.952
    6   2HG   GLU   1          2HG       GLU   1   8.303 -15.615  15.777
    7    H    GLU   2           H        GLU   2   6.659 -11.280  14.821
    8    HA   GLU   2           HA       GLU   2   4.257 -11.167  16.445
    9   1HB   GLU   2          1HB       GLU   2   6.776 -10.947  17.588
   10   2HB   GLU   2          2HB       GLU   2   6.371  -9.268  17.291
   11   1HG   GLU   2          1HG       GLU   2   4.114 -10.826  18.416
   12   2HG   GLU   2          2HG       GLU   2   5.512 -10.781  19.472
   13    H    TYR   3           H        TYR   3   4.142 -10.652  13.787
   14    HA   TYR   3           HA       TYR   3   3.385  -7.934  13.714
   15   1HB   TYR   3          1HB       TYR   3   5.560  -7.201  13.215
   16   2HB   TYR   3          2HB       TYR   3   6.108  -8.829  12.867
   17    HD1  TYR   3           HD1      TYR   3   3.434  -6.762  11.237
   18    HD2  TYR   3           HD2      TYR   3   7.197  -8.753  10.808
   19    HE1  TYR   3           HE1      TYR   3   3.438  -6.234   8.750
   20    HE2  TYR   3           HE2      TYR   3   7.188  -8.218   8.322
   21    HH   TYR   3           HH       TYR   3   5.810  -6.072   6.948
   22    H    VAL   4           H        VAL   4   1.506  -8.194  12.613
   23    HA   VAL   4           HA       VAL   4   1.451  -8.880   9.939
   24    HB   VAL   4           HB       VAL   4   1.996 -11.114  10.463
   25   1HG1  VAL   4          1HG1      VAL   4   1.238 -10.737  12.959
   26   2HG1  VAL   4          2HG1      VAL   4  -0.280 -11.470  12.388
   27   3HG1  VAL   4          3HG1      VAL   4   1.249 -12.370  12.251
   28   1HG2  VAL   4          1HG2      VAL   4  -0.051 -10.613   8.954
   29   2HG2  VAL   4          2HG2      VAL   4   0.213 -12.286   9.504
   30   3HG2  VAL   4          3HG2      VAL   4  -1.013 -11.270  10.300
   31    H    GLY   5           H        GLY   5   0.008  -7.227   9.635
   32   1HA   GLY   5          1HA       GLY   5  -2.323  -7.057  11.398
   33   2HA   GLY   5          2HA       GLY   5  -2.608  -7.375   9.699
   34    H    LEU   6           H        LEU   6  -1.723  -4.981  12.104
   35    HA   LEU   6           HA       LEU   6  -2.526  -2.807  10.773
   36   1HB   LEU   6          1HB       LEU   6  -1.369  -1.520  12.326
   37   2HB   LEU   6          2HB       LEU   6  -1.729  -3.025  13.148
   38    HG   LEU   6           HG       LEU   6   0.703  -3.690  12.358
   39   1HD1  LEU   6          1HD1      LEU   6   0.544  -0.866  11.667
   40   2HD1  LEU   6          2HD1      LEU   6   1.877  -1.211  12.796
   41   3HD1  LEU   6          3HD1      LEU   6   1.772  -2.084  11.248
   42   1HD2  LEU   6          1HD2      LEU   6  -0.311  -2.230  14.720
   43   2HD2  LEU   6          2HD2      LEU   6   0.571  -3.772  14.603
   44   3HD2  LEU   6          3HD2      LEU   6   1.457  -2.231  14.511
   45    H    SER   7           H        SER   7  -1.597  -1.165   9.433
   46    HA   SER   7           HA       SER   7   0.367  -2.289   7.657
   47   1HB   SER   7          1HB       SER   7  -0.172   0.008   6.444
   48   2HB   SER   7          2HB       SER   7  -1.313  -1.320   6.379
   49    HG   SER   7           HG       SER   7  -2.731  -0.008   7.282
   50    H    ALA   8           H        ALA   8   2.481  -1.506   7.402
   51    HA   ALA   8           HA       ALA   8   3.463   0.939   7.971
   52   1HB   ALA   8          1HB       ALA   8   2.720  -0.419  10.422
   53   2HB   ALA   8          2HB       ALA   8   4.480  -0.155  10.377
   54   3HB   ALA   8          3HB       ALA   8   3.368   1.223  10.198
   55    H    ASN   9           H        ASN   9   4.524  -2.226   9.403
   56    HA   ASN   9           HA       ASN   9   7.075  -2.065   8.504
   57   1HB   ASN   9          1HB       ASN   9   5.278  -4.152   9.546
   58   2HB   ASN   9          2HB       ASN   9   6.412  -4.828   8.394
   59   2HD2  ASN   9          2HD2      ASN   9   7.578  -5.948   9.890
   60   1HD2  ASN   9          1HD2      ASN   9   8.624  -5.216  11.060
   61    H    GLN  10           H        GLN  10   4.093  -3.289   6.902
   62    HA   GLN  10           HA       GLN  10   5.524  -4.320   4.675
   63   1HB   GLN  10          1HB       GLN  10   2.586  -3.743   4.488
   64   2HB   GLN  10          2HB       GLN  10   3.478  -5.161   3.972
   65   1HG   GLN  10          1HG       GLN  10   2.580  -6.130   5.843
   66   2HG   GLN  10          2HG       GLN  10   3.883  -5.311   6.682
   67   2HE2  GLN  10          2HE2      GLN  10   0.502  -5.202   5.777
   68   1HE2  GLN  10          1HE2      GLN  10  -0.034  -4.063   6.967
   69    H    CYS  11           H        CYS  11   3.879  -1.289   5.574
   70    HA   CYS  11           HA       CYS  11   4.403  -0.281   2.879
   71   1HB   CYS  11          1HB       CYS  11   2.809   1.382   4.713
   72   2HB   CYS  11          2HB       CYS  11   2.582   1.030   3.011
   73    H    ALA  12           H        ALA  12   6.608  -0.687   4.608
   74    HA   ALA  12           HA       ALA  12   7.122   1.952   5.762
   75   1HB   ALA  12          1HB       ALA  12   9.187   0.611   6.640
   76   2HB   ALA  12          2HB       ALA  12   7.589   0.293   7.355
   77   3HB   ALA  12          3HB       ALA  12   8.259  -0.823   6.141
   78    H    VAL  13           H        VAL  13   6.959   1.738   2.905
   79    HA   VAL  13           HA       VAL  13   9.731   1.618   2.032
   80    HB   VAL  13           HB       VAL  13   7.687   2.389   0.090
   81   1HG1  VAL  13          1HG1      VAL  13  10.085   0.725   0.300
   82   2HG1  VAL  13          2HG1      VAL  13   8.795  -0.044  -0.655
   83   3HG1  VAL  13          3HG1      VAL  13   9.396   1.570  -1.107
   84   1HG2  VAL  13          1HG2      VAL  13   7.297  -0.076   1.780
   85   2HG2  VAL  13          2HG2      VAL  13   6.097   1.114   1.224
   86   3HG2  VAL  13          3HG2      VAL  13   6.792  -0.053   0.073
   87    HA   PRO  14           HA       PRO  14  10.175   5.915   2.067
   88   1HB   PRO  14          1HB       PRO  14  12.118   6.282   0.180
   89   2HB   PRO  14          2HB       PRO  14  12.459   5.758   1.818
   90   1HG   PRO  14          1HG       PRO  14  12.457   4.168  -0.675
   91   2HG   PRO  14          2HG       PRO  14  13.190   3.786   0.870
   92   1HD   PRO  14          1HD       PRO  14  10.760   2.695  -0.192
   93   2HD   PRO  14          2HD       PRO  14  11.432   2.402   1.399
   94    H    ALA  15           H        ALA  15  10.280   4.848  -1.307
   95    HA   ALA  15           HA       ALA  15   7.933   5.742  -2.174
   96   1HB   ALA  15          1HB       ALA  15   9.605   8.035  -1.374
   97   2HB   ALA  15          2HB       ALA  15   7.855   7.950  -1.684
   98   3HB   ALA  15          3HB       ALA  15   8.990   8.149  -3.040
   99    H    LYS  16           H        LYS  16  11.412   5.473  -2.550
  100    HA   LYS  16           HA       LYS  16  11.172   5.425  -5.450
  101   1HB   LYS  16          1HB       LYS  16  13.598   5.398  -5.452
  102   2HB   LYS  16          2HB       LYS  16  13.008   6.705  -4.446
  103   1HG   LYS  16          1HG       LYS  16  14.489   5.855  -2.912
  104   2HG   LYS  16          2HG       LYS  16  13.182   4.743  -2.555
  105   1HD   LYS  16          1HD       LYS  16  15.128   3.374  -2.888
  106   2HD   LYS  16          2HD       LYS  16  14.153   3.172  -4.330
  107   1HE   LYS  16          1HE       LYS  16  15.796   5.428  -4.866
  108   2HE   LYS  16          2HE       LYS  16  16.851   4.278  -4.070
  109   1HZ   LYS  16          1HZ       LYS  16  15.100   3.215  -6.101
  110   2HZ   LYS  16          2HZ       LYS  16  16.316   4.172  -6.624
  111   3HZ   LYS  16          3HZ       LYS  16  16.649   2.830  -5.755
  112    H    ASP  17           H        ASP  17  10.333   3.364  -3.087
  113    HA   ASP  17           HA       ASP  17  11.386   1.086  -4.572
  114   1HB   ASP  17          1HB       ASP  17  11.360   1.691  -1.703
  115   2HB   ASP  17          2HB       ASP  17  10.513   0.190  -2.021
  116    H    ARG  18           H        ARG  18   8.785   2.966  -4.418
  117    HA   ARG  18           HA       ARG  18   6.771   1.161  -3.610
  118   1HB   ARG  18          1HB       ARG  18   6.373   3.607  -5.388
  119   2HB   ARG  18          2HB       ARG  18   5.223   2.902  -4.270
  120   1HG   ARG  18          1HG       ARG  18   7.853   4.240  -3.474
  121   2HG   ARG  18          2HG       ARG  18   6.269   4.981  -3.357
  122   1HD   ARG  18          1HD       ARG  18   5.589   2.989  -1.854
  123   2HD   ARG  18          2HD       ARG  18   7.286   2.553  -1.815
  124    HE   ARG  18           HE       ARG  18   7.610   4.256  -0.262
  125   1HH1  ARG  18          1HH1      ARG  18   4.805   5.067  -2.226
  126   2HH1  ARG  18          2HH1      ARG  18   4.449   6.517  -1.348
  127   1HH2  ARG  18          1HH2      ARG  18   7.142   6.169   0.897
  128   2HH2  ARG  18          2HH2      ARG  18   5.788   7.148   0.441
  129    H    VAL  19           H        VAL  19   6.061  -0.570  -4.817
  130    HA   VAL  19           HA       VAL  19   6.778  -0.709  -7.602
  131    HB   VAL  19           HB       VAL  19   5.305  -2.601  -5.758
  132   1HG1  VAL  19          1HG1      VAL  19   6.218  -2.880  -8.626
  133   2HG1  VAL  19          2HG1      VAL  19   5.980  -4.293  -7.570
  134   3HG1  VAL  19          3HG1      VAL  19   4.615  -3.208  -7.926
  135   1HG2  VAL  19          1HG2      VAL  19   8.197  -2.260  -6.518
  136   2HG2  VAL  19          2HG2      VAL  19   7.469  -2.537  -4.918
  137   3HG2  VAL  19          3HG2      VAL  19   7.568  -3.870  -6.093
  138    H    ASP  20           H        ASP  20   4.260   0.676  -5.791
  139    HA   ASP  20           HA       ASP  20   2.317   1.489  -6.298
  140   1HB   ASP  20          1HB       ASP  20   3.230   2.589  -8.208
  141   2HB   ASP  20          2HB       ASP  20   3.432   1.088  -9.089
  142    H    CYS  21           H        CYS  21   0.466   0.293  -5.831
  143    HA   CYS  21           HA       CYS  21   0.227  -2.353  -6.928
  144   1HB   CYS  21          1HB       CYS  21  -0.391  -1.323  -4.513
  145   2HB   CYS  21          2HB       CYS  21  -1.957  -1.190  -5.290
  146    H    GLY  22           H        GLY  22  -0.892   0.926  -7.511
  147   1HA   GLY  22          1HA       GLY  22  -2.180   0.197  -9.935
  148   2HA   GLY  22          2HA       GLY  22  -2.127   1.783  -9.190
  149    H    TYR  23           H        TYR  23  -3.793   2.453  -7.720
  150    HA   TYR  23           HA       TYR  23  -6.212   0.825  -7.972
  151   1HB   TYR  23          1HB       TYR  23  -4.660   1.784  -5.542
  152   2HB   TYR  23          2HB       TYR  23  -6.407   1.865  -5.428
  153    HD1  TYR  23           HD1      TYR  23  -7.675  -0.376  -6.124
  154    HD2  TYR  23           HD2      TYR  23  -3.590  -0.170  -4.869
  155    HE1  TYR  23           HE1      TYR  23  -7.742  -2.834  -5.479
  156    HE2  TYR  23           HE2      TYR  23  -3.671  -2.628  -4.228
  157    HH   TYR  23           HH       TYR  23  -4.980  -4.621  -4.903
  158    HA   PRO  24           HA       PRO  24  -7.968   4.704  -8.748
  159   1HB   PRO  24          1HB       PRO  24 -10.617   4.153  -8.364
  160   2HB   PRO  24          2HB       PRO  24  -9.759   3.753  -9.838
  161   1HG   PRO  24          1HG       PRO  24 -10.622   1.960  -7.652
  162   2HG   PRO  24          2HG       PRO  24 -10.159   1.548  -9.291
  163   1HD   PRO  24          1HD       PRO  24  -8.571   1.222  -6.925
  164   2HD   PRO  24          2HD       PRO  24  -8.066   0.919  -8.575
  165    H    HIS  25           H        HIS  25 -10.120   3.539  -6.218
  166    HA   HIS  25           HA       HIS  25  -9.729   6.077  -4.897
  167   1HB   HIS  25          1HB       HIS  25 -11.628   5.472  -3.561
  168   2HB   HIS  25          2HB       HIS  25 -11.993   5.154  -5.245
  169    HD1  HIS  25           HD1      HIS  25 -13.729   3.699  -3.305
  170    HD2  HIS  25           HD2      HIS  25 -10.042   2.148  -4.568
  171    HE1  HIS  25           HE1      HIS  25 -13.838   1.181  -2.907
  172    HE2  HIS  25           HE2      HIS  25 -11.566   0.276  -3.753
  173    H    VAL  26           H        VAL  26  -7.503   5.822  -4.231
  174    HA   VAL  26           HA       VAL  26  -7.007   3.658  -2.346
  175    HB   VAL  26           HB       VAL  26  -4.669   4.491  -2.484
  176   1HG1  VAL  26          1HG1      VAL  26  -6.017   3.802  -5.117
  177   2HG1  VAL  26          2HG1      VAL  26  -4.268   3.702  -4.800
  178   3HG1  VAL  26          3HG1      VAL  26  -5.396   2.656  -3.905
  179   1HG2  VAL  26          1HG2      VAL  26  -5.876   6.790  -3.571
  180   2HG2  VAL  26          2HG2      VAL  26  -4.137   6.458  -3.392
  181   3HG2  VAL  26          3HG2      VAL  26  -4.972   6.042  -4.909
  182    H    THR  27           H        THR  27  -6.712   3.966  -0.150
  183    HA   THR  27           HA       THR  27  -6.450   6.650   0.883
  184    HB   THR  27           HB       THR  27  -8.566   6.782   1.928
  185    HG1  THR  27           HG1      THR  27  -9.777   4.713   2.203
  186   1HG2  THR  27          1HG2      THR  27  -9.067   5.055  -0.554
  187   2HG2  THR  27          2HG2      THR  27 -10.334   5.926   0.343
  188   3HG2  THR  27          3HG2      THR  27  -9.057   6.834  -0.502
  189    HA   PRO  28           HA       PRO  28  -4.504   4.579   4.101
  190   1HB   PRO  28          1HB       PRO  28  -5.126   6.004   6.349
  191   2HB   PRO  28          2HB       PRO  28  -3.927   6.528   5.183
  192   1HG   PRO  28          1HG       PRO  28  -6.668   7.549   5.609
  193   2HG   PRO  28          2HG       PRO  28  -5.331   8.311   4.771
  194   1HD   PRO  28          1HD       PRO  28  -7.596   7.022   3.573
  195   2HD   PRO  28          2HD       PRO  28  -6.203   7.681   2.739
  196    H    LYS  29           H        LYS  29  -6.898   3.326   3.310
  197    HA   LYS  29           HA       LYS  29  -7.152   1.529   5.413
  198   1HB   LYS  29          1HB       LYS  29  -8.360   3.682   6.310
  199   2HB   LYS  29          2HB       LYS  29  -9.661   3.176   5.252
  200   1HG   LYS  29          1HG       LYS  29  -8.365   1.294   7.272
  201   2HG   LYS  29          2HG       LYS  29  -9.751   2.290   7.667
  202   1HD   LYS  29          1HD       LYS  29 -10.707   1.186   5.386
  203   2HD   LYS  29          2HD       LYS  29  -9.576  -0.080   5.820
  204   1HE   LYS  29          1HE       LYS  29 -10.902  -0.818   7.520
  205   2HE   LYS  29          2HE       LYS  29 -11.103   0.799   8.167
  206   1HZ   LYS  29          1HZ       LYS  29 -12.721   1.159   6.338
  207   2HZ   LYS  29          2HZ       LYS  29 -12.639  -0.435   5.995
  208   3HZ   LYS  29          3HZ       LYS  29 -13.191   0.060   7.450
  209    H    GLU  30           H        GLU  30  -8.687   3.182   2.614
  210    HA   GLU  30           HA       GLU  30 -10.070   0.813   1.870
  211   1HB   GLU  30          1HB       GLU  30 -11.009   3.031   1.367
  212   2HB   GLU  30          2HB       GLU  30  -9.604   3.447   0.406
  213   1HG   GLU  30          1HG       GLU  30 -10.364   2.299  -1.416
  214   2HG   GLU  30          2HG       GLU  30 -10.810   0.900  -0.460
  215    H    CYS  31           H        CYS  31  -7.032   2.494   0.992
  216    HA   CYS  31           HA       CYS  31  -6.535   0.839  -1.259
  217   1HB   CYS  31          1HB       CYS  31  -5.472   2.852  -1.464
  218   2HB   CYS  31          2HB       CYS  31  -5.060   2.950   0.237
  219    H    ASN  32           H        ASN  32  -5.995   0.740   2.245
  220    HA   ASN  32           HA       ASN  32  -4.133  -1.440   1.957
  221   1HB   ASN  32          1HB       ASN  32  -3.698  -1.163   4.298
  222   2HB   ASN  32          2HB       ASN  32  -3.949   0.471   3.715
  223   2HD2  ASN  32          2HD2      ASN  32  -4.356   0.811   6.027
  224   1HD2  ASN  32          1HD2      ASN  32  -5.960   0.605   6.646
  225    H    ASN  33           H        ASN  33  -7.398  -1.097   1.686
  226    HA   ASN  33           HA       ASN  33  -8.033  -3.390   3.350
  227   1HB   ASN  33          1HB       ASN  33  -9.597  -1.602   3.730
  228   2HB   ASN  33          2HB       ASN  33  -9.698  -1.210   2.025
  229   2HD2  ASN  33          2HD2      ASN  33 -11.077  -2.857   4.596
  230   1HD2  ASN  33          1HD2      ASN  33 -12.226  -3.842   3.753
  231    H    ARG  34           H        ARG  34  -8.199  -2.009   0.012
  232    HA   ARG  34           HA       ARG  34  -9.565  -4.035  -1.196
  233   1HB   ARG  34          1HB       ARG  34  -8.474  -1.685  -2.034
  234   2HB   ARG  34          2HB       ARG  34  -7.280  -2.779  -2.705
  235   1HG   ARG  34          1HG       ARG  34 -10.290  -3.019  -3.174
  236   2HG   ARG  34          2HG       ARG  34  -9.174  -2.260  -4.292
  237   1HD   ARG  34          1HD       ARG  34  -7.864  -4.582  -4.088
  238   2HD   ARG  34          2HD       ARG  34  -9.420  -5.185  -3.555
  239    HE   ARG  34           HE       ARG  34  -8.719  -4.323  -6.261
  240   1HH1  ARG  34          1HH1      ARG  34 -11.373  -4.805  -4.001
  241   2HH1  ARG  34          2HH1      ARG  34 -12.568  -4.980  -5.243
  242   1HH2  ARG  34          1HH2      ARG  34 -10.295  -4.554  -7.900
  243   2HH2  ARG  34          2HH2      ARG  34 -11.950  -4.836  -7.475
  244    H    GLY  35           H        GLY  35  -6.191  -3.836  -0.107
  245   1HA   GLY  35          1HA       GLY  35  -5.670  -6.494  -1.301
  246   2HA   GLY  35          2HA       GLY  35  -5.254  -6.087   0.352
  247    H    CYS  36           H        CYS  36  -3.752  -4.145   0.677
  248    HA   CYS  36           HA       CYS  36  -1.396  -4.528  -0.603
  249   1HB   CYS  36          1HB       CYS  36  -3.131  -3.206  -2.382
  250   2HB   CYS  36          2HB       CYS  36  -2.031  -1.974  -1.795
  251    H    CYS  37           H        CYS  37  -0.481  -1.726  -0.679
  252    HA   CYS  37           HA       CYS  37  -1.028  -0.991   2.106
  253   1HB   CYS  37          1HB       CYS  37   1.536  -1.260   0.619
  254   2HB   CYS  37          2HB       CYS  37   1.398   0.078   1.742
  255    H    PHE  38           H        PHE  38  -0.998   1.363   2.521
  256    HA   PHE  38           HA       PHE  38  -1.446   2.898   0.058
  257   1HB   PHE  38          1HB       PHE  38  -3.510   2.568   1.388
  258   2HB   PHE  38          2HB       PHE  38  -2.670   2.961   2.875
  259    HD1  PHE  38           HD1      PHE  38  -3.948   4.385  -0.286
  260    HD2  PHE  38           HD2      PHE  38  -2.446   5.210   3.596
  261    HE1  PHE  38           HE1      PHE  38  -4.645   6.784  -0.527
  262    HE2  PHE  38           HE2      PHE  38  -3.143   7.609   3.356
  263    HZ   PHE  38           HZ       PHE  38  -4.234   8.368   1.297
  264    H    ASP  39           H        ASP  39  -1.252   5.405   0.602
  265    HA   ASP  39           HA       ASP  39   0.387   6.201   2.666
  266   1HB   ASP  39          1HB       ASP  39   2.159   4.905   1.543
  267   2HB   ASP  39          2HB       ASP  39   1.817   5.695   0.017
  268    H    SER  40           H        SER  40   0.639   8.550   2.566
  269    HA   SER  40           HA       SER  40  -0.221   9.781   0.089
  270   1HB   SER  40          1HB       SER  40  -1.776  11.286   1.295
  271   2HB   SER  40          2HB       SER  40  -2.263   9.610   1.449
  272    HG   SER  40           HG       SER  40  -2.400  10.479   3.515
  273    H    ARG  41           H        ARG  41   2.281   9.381   1.931
  274    HA   ARG  41           HA       ARG  41   2.852  11.824   3.087
  275   1HB   ARG  41          1HB       ARG  41   4.056   9.387   3.085
  276   2HB   ARG  41          2HB       ARG  41   5.092  10.182   1.916
  277   1HG   ARG  41          1HG       ARG  41   4.520  11.821   4.332
  278   2HG   ARG  41          2HG       ARG  41   5.389  10.337   4.670
  279   1HD   ARG  41          1HD       ARG  41   6.954  11.028   2.685
  280   2HD   ARG  41          2HD       ARG  41   6.224  12.614   2.830
  281    HE   ARG  41           HE       ARG  41   7.059  11.712   5.432
  282   1HH1  ARG  41          1HH1      ARG  41   8.379  12.895   2.392
  283   2HH1  ARG  41          2HH1      ARG  41   9.806  13.554   3.120
  284   1HH2  ARG  41          1HH2      ARG  41   8.941  12.582   6.393
  285   2HH2  ARG  41          2HH2      ARG  41  10.127  13.375   5.412
  286    H    ILE  42           H        ILE  42   3.181  10.566  -0.239
  287    HA   ILE  42           HA       ILE  42   3.633  13.236  -1.194
  288    HB   ILE  42           HB       ILE  42   5.640  12.016  -2.570
  289   1HG1  ILE  42          1HG1      ILE  42   7.131  10.976  -0.883
  290   2HG1  ILE  42          2HG1      ILE  42   5.832  11.030   0.292
  291   1HG2  ILE  42          1HG2      ILE  42   5.358  14.054  -0.504
  292   2HG2  ILE  42          2HG2      ILE  42   6.957  13.272  -0.479
  293   3HG2  ILE  42          3HG2      ILE  42   6.363  14.037  -1.973
  294   1HD1  ILE  42          1HD1      ILE  42   5.310   9.735  -2.389
  295   2HD1  ILE  42          2HD1      ILE  42   6.226   8.842  -1.151
  296   3HD1  ILE  42          3HD1      ILE  42   4.567   9.390  -0.809
  297    HA   PRO  43           HA       PRO  43   1.173  11.320  -4.214
  298   1HB   PRO  43          1HB       PRO  43   0.783  13.489  -5.831
  299   2HB   PRO  43          2HB       PRO  43  -0.173  13.179  -4.395
  300   1HG   PRO  43          1HG       PRO  43   1.979  15.166  -4.796
  301   2HG   PRO  43          2HG       PRO  43   0.746  15.119  -3.552
  302   1HD   PRO  43          1HD       PRO  43   3.506  14.396  -3.260
  303   2HD   PRO  43          2HD       PRO  43   2.248  14.240  -2.050
  304    H    GLY  44           H        GLY  44   4.042  13.108  -5.031
  305   1HA   GLY  44          1HA       GLY  44   5.688  12.568  -6.479
  306   2HA   GLY  44          2HA       GLY  44   4.392  12.551  -7.658
  307    H    VAL  45           H        VAL  45   4.437  10.255  -4.933
  308    HA   VAL  45           HA       VAL  45   5.332   8.161  -6.782
  309    HB   VAL  45           HB       VAL  45   6.325   7.115  -5.046
  310   1HG1  VAL  45          1HG1      VAL  45   6.179  10.007  -4.160
  311   2HG1  VAL  45          2HG1      VAL  45   7.207   8.799  -3.353
  312   3HG1  VAL  45          3HG1      VAL  45   7.475   9.192  -5.068
  313   1HG2  VAL  45          1HG2      VAL  45   4.005   8.110  -3.430
  314   2HG2  VAL  45          2HG2      VAL  45   4.637   6.458  -3.627
  315   3HG2  VAL  45          3HG2      VAL  45   5.492   7.620  -2.584
  316    HA   PRO  46           HA       PRO  46   1.488   6.194  -6.501
  317   1HB   PRO  46          1HB       PRO  46   2.034   3.539  -6.152
  318   2HB   PRO  46          2HB       PRO  46   2.174   4.351  -7.698
  319   1HG   PRO  46          1HG       PRO  46   4.320   3.484  -5.859
  320   2HG   PRO  46          2HG       PRO  46   4.431   3.897  -7.559
  321   1HD   PRO  46          1HD       PRO  46   5.233   5.528  -5.340
  322   2HD   PRO  46          2HD       PRO  46   5.236   5.985  -7.031
  323    H    TRP  47           H        TRP  47   0.611   7.296  -4.719
  324    HA   TRP  47           HA       TRP  47   0.985   6.956  -2.150
  325   1HB   TRP  47          1HB       TRP  47  -1.513   7.229  -3.746
  326   2HB   TRP  47          2HB       TRP  47  -1.679   6.866  -2.039
  327    HD1  TRP  47           HD1      TRP  47   1.188   9.168  -3.187
  328    HE1  TRP  47           HE1      TRP  47   0.840  11.636  -2.321
  329    HE3  TRP  47           HE3      TRP  47  -3.507   8.432  -1.379
  330    HZ2  TRP  47           HZ2      TRP  47  -1.311  12.974  -1.007
  331    HZ3  TRP  47           HZ3      TRP  47  -4.661  10.371  -0.320
  332    HH2  TRP  47           HH2      TRP  47  -3.639  12.582  -0.119
  333    H    CYS  48           H        CYS  48  -1.050   4.668  -4.122
  334    HA   CYS  48           HA       CYS  48  -0.895   2.762  -1.946
  335   1HB   CYS  48          1HB       CYS  48  -3.011   3.350  -3.305
  336   2HB   CYS  48          2HB       CYS  48  -2.322   2.343  -4.562
  337    H    PHE  49           H        PHE  49   0.907   1.461  -1.905
  338    HA   PHE  49           HA       PHE  49   1.841   0.433  -4.483
  339   1HB   PHE  49          1HB       PHE  49   4.182   0.651  -3.334
  340   2HB   PHE  49          2HB       PHE  49   3.445   2.147  -3.871
  341    HD1  PHE  49           HD1      PHE  49   3.627  -0.022  -0.839
  342    HD2  PHE  49           HD2      PHE  49   3.327   3.916  -2.390
  343    HE1  PHE  49           HE1      PHE  49   3.819   0.907   1.485
  344    HE2  PHE  49           HE2      PHE  49   3.519   4.846  -0.066
  345    HZ   PHE  49           HZ       PHE  49   3.763   3.330   1.844
  346    H    LYS  50           H        LYS  50   3.266  -1.561  -4.188
  347    HA   LYS  50           HA       LYS  50   1.902  -3.404  -2.569
  348   1HB   LYS  50          1HB       LYS  50   4.598  -3.706  -3.923
  349   2HB   LYS  50          2HB       LYS  50   3.551  -5.000  -3.375
  350   1HG   LYS  50          1HG       LYS  50   1.741  -3.854  -4.931
  351   2HG   LYS  50          2HG       LYS  50   3.121  -3.074  -5.678
  352   1HD   LYS  50          1HD       LYS  50   2.902  -5.023  -6.978
  353   2HD   LYS  50          2HD       LYS  50   4.138  -5.492  -5.828
  354   1HE   LYS  50          1HE       LYS  50   2.669  -6.863  -4.589
  355   2HE   LYS  50          2HE       LYS  50   1.241  -5.994  -5.117
  356   1HZ   LYS  50          1HZ       LYS  50   2.902  -7.635  -6.900
  357   2HZ   LYS  50          2HZ       LYS  50   1.532  -8.159  -6.182
  358   3HZ   LYS  50          3HZ       LYS  50   1.470  -6.941  -7.268
  359    HA   PRO  51           HA       PRO  51   4.094  -3.216   1.142
  360   1HB   PRO  51          1HB       PRO  51   4.134  -5.810   2.000
  361   2HB   PRO  51          2HB       PRO  51   2.730  -4.774   2.150
  362   1HG   PRO  51          1HG       PRO  51   3.208  -6.983   0.244
  363   2HG   PRO  51          2HG       PRO  51   1.691  -6.230   0.693
  364   1HD   PRO  51          1HD       PRO  51   3.166  -5.805  -1.730
  365   2HD   PRO  51          2HD       PRO  51   1.711  -4.968  -1.228
  366    H    LEU  52           H        LEU  52   6.127  -2.661   1.570
  367    HA   LEU  52           HA       LEU  52   8.216  -3.245   0.032
  368   1HB   LEU  52          1HB       LEU  52   8.508  -1.668   1.709
  369   2HB   LEU  52          2HB       LEU  52   7.996  -2.761   2.980
  370    HG   LEU  52           HG       LEU  52  10.570  -3.130   1.432
  371   1HD1  LEU  52          1HD1      LEU  52  10.104  -0.952   2.989
  372   2HD1  LEU  52          2HD1      LEU  52  10.736  -2.101   4.193
  373   3HD1  LEU  52          3HD1      LEU  52  11.700  -1.703   2.751
  374   1HD2  LEU  52          1HD2      LEU  52   9.163  -4.744   3.318
  375   2HD2  LEU  52          2HD2      LEU  52  10.729  -5.048   2.528
  376   3HD2  LEU  52          3HD2      LEU  52  10.668  -4.172   4.076
  377    H    GLN  53           H        GLN  53   9.697  -4.886  -0.342
  378    HA   GLN  53           HA       GLN  53   8.821  -7.461   0.118
  379   1HB   GLN  53          1HB       GLN  53  11.228  -8.059  -0.609
  380   2HB   GLN  53          2HB       GLN  53  10.258  -7.133  -1.736
  381   1HG   GLN  53          1HG       GLN  53  11.834  -5.510   0.219
  382   2HG   GLN  53          2HG       GLN  53  12.788  -6.418  -0.937
  383   2HE2  GLN  53          2HE2      GLN  53  11.441  -3.533  -0.376
  384   1HE2  GLN  53          1HE2      GLN  53  11.151  -2.949  -1.981
  385    H    GLU  54           H        GLU  54   8.364  -7.539   2.442
  386    HA   GLU  54           HA       GLU  54  10.212  -7.009   4.384
  387   1HB   GLU  54          1HB       GLU  54   8.823  -8.573   5.805
  388   2HB   GLU  54          2HB       GLU  54   7.893  -7.356   4.955
  389   1HG   GLU  54          1HG       GLU  54   8.230  -9.764   3.308
  390   2HG   GLU  54          2HG       GLU  54   7.508 -10.156   4.856
  391    H    ALA  55           H        ALA  55  12.316  -7.763   4.141
  392    HA   ALA  55           HA       ALA  55  12.587 -10.685   3.935
  393   1HB   ALA  55          1HB       ALA  55  14.825 -10.147   2.890
  394   2HB   ALA  55          2HB       ALA  55  13.419  -9.657   1.916
  395   3HB   ALA  55          3HB       ALA  55  14.326  -8.440   2.845
  396    H    GLU  56           H        GLU  56  15.274 -10.911   4.634
  397    HA   GLU  56           HA       GLU  56  15.269 -11.139   7.257
  398   1HB   GLU  56          1HB       GLU  56  17.530 -10.399   5.379
  399   2HB   GLU  56          2HB       GLU  56  17.843 -10.629   7.088
  400   1HG   GLU  56          1HG       GLU  56  18.115 -12.827   6.481
  401   2HG   GLU  56          2HG       GLU  56  16.368 -12.875   6.610
  402    H    CYS  57           H        CYS  57  15.175  -9.856   9.064
  403    HA   CYS  57           HA       CYS  57  14.705  -7.144   8.837
  404   1HB   CYS  57          1HB       CYS  57  15.746  -8.493  11.326
  405   2HB   CYS  57          2HB       CYS  57  14.732  -7.068  11.212
  406    H    THR  58           H        THR  58  16.076  -5.319   9.658
  407    HA   THR  58           HA       THR  58  18.926  -5.865   9.817
  408    HB   THR  58           HB       THR  58  17.578  -4.224   7.616
  409    HG1  THR  58           HG1      THR  58  19.656  -6.292   7.705
  410   1HG2  THR  58          1HG2      THR  58  20.009  -3.567   8.931
  411   2HG2  THR  58          2HG2      THR  58  20.497  -4.476   7.480
  412   3HG2  THR  58          3HG2      THR  58  19.496  -3.013   7.319
  413    H    PHE  59           H        PHE  59  16.456  -3.218   9.554
  414    HA   PHE  59           HA       PHE  59  17.924  -1.855  11.682
  415   1HB   PHE  59          1HB       PHE  59  17.491  -0.510   9.686
  416   2HB   PHE  59          2HB       PHE  59  15.856  -1.123   9.544
  417    HD1  PHE  59           HD1      PHE  59  17.818   0.549  12.258
  418    HD2  PHE  59           HD2      PHE  59  14.271   0.490   9.930
  419    HE1  PHE  59           HE1      PHE  59  16.961   2.546  13.514
  420    HE2  PHE  59           HE2      PHE  59  13.413   2.487  11.186
  421    HZ   PHE  59           HZ       PHE  59  14.769   3.491  12.963

  No H/Q in entry =         421
  Start of MODEL    4
    1    H    GLU   1           H        GLU   1   8.850 -14.498   8.149
    2    HA   GLU   1           HA       GLU   1   7.417 -16.530   9.101
    3   1HB   GLU   1          1HB       GLU   1  10.097 -15.907   8.970
    4   2HB   GLU   1          2HB       GLU   1   9.864 -15.977  10.705
    5   1HG   GLU   1          1HG       GLU   1   9.951 -18.237  10.586
    6   2HG   GLU   1          2HG       GLU   1   8.447 -18.218   9.687
    7    H    GLU   2           H        GLU   2   5.785 -14.556  10.014
    8    HA   GLU   2           HA       GLU   2   5.410 -15.261  12.653
    9   1HB   GLU   2          1HB       GLU   2   7.464 -13.463  12.582
   10   2HB   GLU   2          2HB       GLU   2   6.111 -12.355  12.688
   11   1HG   GLU   2          1HG       GLU   2   5.408 -13.190  14.785
   12   2HG   GLU   2          2HG       GLU   2   6.189 -14.741  14.547
   13    H    TYR   3           H        TYR   3   5.075 -12.609  10.219
   14    HA   TYR   3           HA       TYR   3   3.323 -11.421   9.550
   15   1HB   TYR   3          1HB       TYR   3   2.732 -13.935   9.075
   16   2HB   TYR   3          2HB       TYR   3   1.745 -13.879  10.522
   17    HD1  TYR   3           HD1      TYR   3  -0.273 -12.386  10.598
   18    HD2  TYR   3           HD2      TYR   3   1.967 -12.997   7.004
   19    HE1  TYR   3           HE1      TYR   3  -2.221 -11.502   9.224
   20    HE2  TYR   3           HE2      TYR   3   0.012 -12.111   5.643
   21    HH   TYR   3           HH       TYR   3  -2.927 -10.940   7.260
   22    H    VAL   4           H        VAL   4   3.188  -9.698  10.998
   23    HA   VAL   4           HA       VAL   4   0.899  -9.674  12.666
   24    HB   VAL   4           HB       VAL   4   2.321 -10.945  14.147
   25   1HG1  VAL   4          1HG1      VAL   4   4.341  -8.855  13.435
   26   2HG1  VAL   4          2HG1      VAL   4   4.387  -9.549  15.073
   27   3HG1  VAL   4          3HG1      VAL   4   4.536 -10.611  13.652
   28   1HG2  VAL   4          1HG2      VAL   4   0.807  -9.050  14.983
   29   2HG2  VAL   4          2HG2      VAL   4   2.053  -9.655  16.101
   30   3HG2  VAL   4          3HG2      VAL   4   2.306  -8.123  15.232
   31    H    GLY   5           H        GLY   5   1.381  -8.163  10.495
   32   1HA   GLY   5          1HA       GLY   5   1.546  -6.047   9.761
   33   2HA   GLY   5          2HA       GLY   5   2.939  -5.867  10.809
   34    H    LEU   6           H        LEU   6   2.794  -4.564  12.614
   35    HA   LEU   6           HA       LEU   6   0.080  -3.783  13.422
   36   1HB   LEU   6          1HB       LEU   6   1.046  -3.283  15.608
   37   2HB   LEU   6          2HB       LEU   6   1.205  -4.971  15.164
   38    HG   LEU   6           HG       LEU   6   3.605  -4.127  14.323
   39   1HD1  LEU   6          1HD1      LEU   6   2.631  -1.819  15.559
   40   2HD1  LEU   6          2HD1      LEU   6   3.771  -2.523  16.731
   41   3HD1  LEU   6          3HD1      LEU   6   4.309  -2.159  15.074
   42   1HD2  LEU   6          1HD2      LEU   6   2.741  -4.958  17.093
   43   2HD2  LEU   6          2HD2      LEU   6   3.446  -5.951  15.795
   44   3HD2  LEU   6          3HD2      LEU   6   4.453  -4.756  16.647
   45    H    SER   7           H        SER   7   3.258  -2.755  12.259
   46    HA   SER   7           HA       SER   7   2.331   0.000  12.467
   47   1HB   SER   7          1HB       SER   7   4.634   0.699  12.439
   48   2HB   SER   7          2HB       SER   7   4.516  -0.610  13.599
   49    HG   SER   7           HG       SER   7   5.969  -0.468  11.236
   50    H    ALA   8           H        ALA   8   4.392   0.904  10.496
   51    HA   ALA   8           HA       ALA   8   2.963   0.046   8.094
   52   1HB   ALA   8          1HB       ALA   8   4.899   2.296   7.986
   53   2HB   ALA   8          2HB       ALA   8   3.503   2.542   9.063
   54   3HB   ALA   8          3HB       ALA   8   3.244   2.177   7.341
   55    H    ASN   9           H        ASN   9   4.988  -1.645   9.475
   56    HA   ASN   9           HA       ASN   9   7.470  -1.457   8.407
   57   1HB   ASN   9          1HB       ASN   9   5.909  -3.423   9.806
   58   2HB   ASN   9          2HB       ASN   9   6.625  -4.252   8.438
   59   2HD2  ASN   9          2HD2      ASN   9   8.854  -4.384   8.215
   60   1HD2  ASN   9          1HD2      ASN   9   9.952  -4.106   9.525
   61    H    GLN  10           H        GLN  10   4.628  -3.395   7.184
   62    HA   GLN  10           HA       GLN  10   5.903  -4.215   4.857
   63   1HB   GLN  10          1HB       GLN  10   3.488  -4.676   4.091
   64   2HB   GLN  10          2HB       GLN  10   4.015  -5.474   5.559
   65   1HG   GLN  10          1HG       GLN  10   2.898  -2.816   6.134
   66   2HG   GLN  10          2HG       GLN  10   1.750  -3.814   5.265
   67   2HE2  GLN  10          2HE2      GLN  10   2.882  -2.977   8.234
   68   1HE2  GLN  10          1HE2      GLN  10   2.377  -4.335   9.184
   69    H    CYS  11           H        CYS  11   4.212  -1.240   5.761
   70    HA   CYS  11           HA       CYS  11   4.440  -0.351   2.979
   71   1HB   CYS  11          1HB       CYS  11   2.752   1.183   4.872
   72   2HB   CYS  11          2HB       CYS  11   2.539   0.872   3.160
   73    H    ALA  12           H        ALA  12   6.782  -0.421   4.454
   74    HA   ALA  12           HA       ALA  12   7.099   2.371   5.324
   75   1HB   ALA  12          1HB       ALA  12   9.181   1.173   6.503
   76   2HB   ALA  12          2HB       ALA  12   7.573   1.216   7.263
   77   3HB   ALA  12          3HB       ALA  12   8.108  -0.242   6.394
   78    H    VAL  13           H        VAL  13   7.140   2.052   2.643
   79    HA   VAL  13           HA       VAL  13   9.880   1.481   1.854
   80    HB   VAL  13           HB       VAL  13   7.935   2.458  -0.130
   81   1HG1  VAL  13          1HG1      VAL  13  10.185   0.586   0.084
   82   2HG1  VAL  13          2HG1      VAL  13   8.836  -0.040  -0.894
   83   3HG1  VAL  13          3HG1      VAL  13   9.594   1.515  -1.314
   84   1HG2  VAL  13          1HG2      VAL  13   7.358   0.064   1.601
   85   2HG2  VAL  13          2HG2      VAL  13   6.250   1.316   0.989
   86   3HG2  VAL  13          3HG2      VAL  13   6.877   0.067  -0.113
   87    HA   PRO  14           HA       PRO  14  10.966   5.662   1.736
   88   1HB   PRO  14          1HB       PRO  14  13.021   5.633  -0.065
   89   2HB   PRO  14          2HB       PRO  14  13.208   5.152   1.610
   90   1HG   PRO  14          1HG       PRO  14  13.072   3.450  -0.803
   91   2HG   PRO  14          2HG       PRO  14  13.672   3.046   0.793
   92   1HD   PRO  14          1HD       PRO  14  11.151   2.275  -0.339
   93   2HD   PRO  14          2HD       PRO  14  11.703   1.970   1.296
   94    H    ALA  15           H        ALA  15   9.264   4.241  -0.618
   95    HA   ALA  15           HA       ALA  15   7.816   5.265  -2.012
   96   1HB   ALA  15          1HB       ALA  15   9.355   7.811  -2.256
   97   2HB   ALA  15          2HB       ALA  15   7.603   7.544  -2.096
   98   3HB   ALA  15          3HB       ALA  15   8.651   7.454  -0.660
   99    H    LYS  16           H        LYS  16  11.338   5.385  -2.275
  100    HA   LYS  16           HA       LYS  16  11.211   5.504  -5.168
  101   1HB   LYS  16          1HB       LYS  16  13.630   5.618  -5.060
  102   2HB   LYS  16          2HB       LYS  16  12.923   6.791  -3.968
  103   1HG   LYS  16          1HG       LYS  16  14.490   5.860  -2.533
  104   2HG   LYS  16          2HG       LYS  16  13.143   4.791  -2.195
  105   1HD   LYS  16          1HD       LYS  16  14.349   3.014  -2.913
  106   2HD   LYS  16          2HD       LYS  16  14.493   3.736  -4.503
  107   1HE   LYS  16          1HE       LYS  16  16.728   3.882  -4.087
  108   2HE   LYS  16          2HE       LYS  16  16.338   5.212  -3.015
  109   1HZ   LYS  16          1HZ       LYS  16  15.998   3.480  -1.274
  110   2HZ   LYS  16          2HZ       LYS  16  16.663   2.391  -2.292
  111   3HZ   LYS  16          3HZ       LYS  16  17.542   3.666  -1.774
  112    H    ASP  17           H        ASP  17  10.285   3.211  -3.139
  113    HA   ASP  17           HA       ASP  17  11.474   1.139  -4.798
  114   1HB   ASP  17          1HB       ASP  17  11.830   1.494  -1.975
  115   2HB   ASP  17          2HB       ASP  17  10.760   0.120  -2.168
  116    H    ARG  18           H        ARG  18   8.838   2.780  -4.599
  117    HA   ARG  18           HA       ARG  18   6.922   0.948  -3.639
  118   1HB   ARG  18          1HB       ARG  18   6.392   3.267  -5.549
  119   2HB   ARG  18          2HB       ARG  18   5.286   2.579  -4.376
  120   1HG   ARG  18          1HG       ARG  18   7.908   3.756  -3.418
  121   2HG   ARG  18          2HG       ARG  18   6.591   4.834  -3.834
  122   1HD   ARG  18          1HD       ARG  18   5.302   2.912  -2.274
  123   2HD   ARG  18          2HD       ARG  18   6.872   3.019  -1.504
  124    HE   ARG  18           HE       ARG  18   5.563   5.602  -2.117
  125   1HH1  ARG  18          1HH1      ARG  18   6.240   3.120   0.284
  126   2HH1  ARG  18          2HH1      ARG  18   5.897   4.152   1.633
  127   1HH2  ARG  18          1HH2      ARG  18   5.111   6.963  -0.338
  128   2HH2  ARG  18          2HH2      ARG  18   5.251   6.352   1.277
  129    H    VAL  19           H        VAL  19   5.643  -0.538  -4.812
  130    HA   VAL  19           HA       VAL  19   6.556  -1.027  -7.538
  131    HB   VAL  19           HB       VAL  19   4.799  -2.740  -5.779
  132   1HG1  VAL  19          1HG1      VAL  19   6.015  -3.012  -8.457
  133   2HG1  VAL  19          2HG1      VAL  19   6.237  -4.418  -7.388
  134   3HG1  VAL  19          3HG1      VAL  19   4.598  -3.824  -7.748
  135   1HG2  VAL  19          1HG2      VAL  19   7.614  -2.121  -5.487
  136   2HG2  VAL  19          2HG2      VAL  19   6.557  -3.114  -4.456
  137   3HG2  VAL  19          3HG2      VAL  19   7.383  -3.848  -5.852
  138    H    ASP  20           H        ASP  20   4.213   0.770  -5.960
  139    HA   ASP  20           HA       ASP  20   2.276   1.593  -6.494
  140   1HB   ASP  20          1HB       ASP  20   3.306   2.592  -8.396
  141   2HB   ASP  20          2HB       ASP  20   3.472   1.058  -9.228
  142    H    CYS  21           H        CYS  21   0.616   0.215  -5.760
  143    HA   CYS  21           HA       CYS  21   0.175  -2.317  -6.950
  144   1HB   CYS  21          1HB       CYS  21  -0.393  -1.233  -4.531
  145   2HB   CYS  21          2HB       CYS  21  -1.963  -1.107  -5.299
  146    H    GLY  22           H        GLY  22  -0.822   0.994  -7.540
  147   1HA   GLY  22          1HA       GLY  22  -2.136   0.340  -9.953
  148   2HA   GLY  22          2HA       GLY  22  -2.086   1.904  -9.164
  149    H    TYR  23           H        TYR  23  -3.781   2.562  -7.746
  150    HA   TYR  23           HA       TYR  23  -6.185   0.920  -8.022
  151   1HB   TYR  23          1HB       TYR  23  -4.658   1.864  -5.571
  152   2HB   TYR  23          2HB       TYR  23  -6.406   1.945  -5.472
  153    HD1  TYR  23           HD1      TYR  23  -7.659  -0.298  -6.222
  154    HD2  TYR  23           HD2      TYR  23  -3.604  -0.087  -4.876
  155    HE1  TYR  23           HE1      TYR  23  -7.732  -2.761  -5.594
  156    HE2  TYR  23           HE2      TYR  23  -3.690  -2.550  -4.252
  157    HH   TYR  23           HH       TYR  23  -5.744  -4.625  -5.392
  158    HA   PRO  24           HA       PRO  24  -7.957   4.795  -8.782
  159   1HB   PRO  24          1HB       PRO  24 -10.605   4.231  -8.413
  160   2HB   PRO  24          2HB       PRO  24  -9.739   3.842  -9.885
  161   1HG   PRO  24          1HG       PRO  24 -10.605   2.035  -7.711
  162   2HG   PRO  24          2HG       PRO  24 -10.133   1.633  -9.350
  163   1HD   PRO  24          1HD       PRO  24  -8.554   1.302  -6.979
  164   2HD   PRO  24          2HD       PRO  24  -8.041   1.009  -8.629
  165    H    HIS  25           H        HIS  25 -10.141   3.629  -6.285
  166    HA   HIS  25           HA       HIS  25  -9.748   6.154  -4.941
  167   1HB   HIS  25          1HB       HIS  25 -11.668   5.565  -3.642
  168   2HB   HIS  25          2HB       HIS  25 -12.012   5.222  -5.326
  169    HD1  HIS  25           HD1      HIS  25 -13.749   3.803  -3.330
  170    HD2  HIS  25           HD2      HIS  25 -10.091   2.219  -4.638
  171    HE1  HIS  25           HE1      HIS  25 -13.869   1.289  -2.913
  172    HE2  HIS  25           HE2      HIS  25 -11.616   0.363  -3.786
  173    H    VAL  26           H        VAL  26  -7.532   5.889  -4.250
  174    HA   VAL  26           HA       VAL  26  -7.058   3.708  -2.381
  175    HB   VAL  26           HB       VAL  26  -4.721   4.544  -2.479
  176   1HG1  VAL  26          1HG1      VAL  26  -6.048   3.874  -5.126
  177   2HG1  VAL  26          2HG1      VAL  26  -4.297   3.801  -4.816
  178   3HG1  VAL  26          3HG1      VAL  26  -5.404   2.725  -3.929
  179   1HG2  VAL  26          1HG2      VAL  26  -5.885   6.870  -3.498
  180   2HG2  VAL  26          2HG2      VAL  26  -4.147   6.497  -3.406
  181   3HG2  VAL  26          3HG2      VAL  26  -5.058   6.139  -4.894
  182    H    THR  27           H        THR  27  -6.838   3.985  -0.179
  183    HA   THR  27           HA       THR  27  -6.579   6.661   0.890
  184    HB   THR  27           HB       THR  27  -8.710   6.768   1.912
  185    HG1  THR  27           HG1      THR  27  -9.933   4.666   2.066
  186   1HG2  THR  27          1HG2      THR  27  -9.161   5.095  -0.616
  187   2HG2  THR  27          2HG2      THR  27 -10.451   5.931   0.282
  188   3HG2  THR  27          3HG2      THR  27  -9.170   6.873  -0.519
  189    HA   PRO  28           HA       PRO  28  -4.682   4.561   4.119
  190   1HB   PRO  28          1HB       PRO  28  -5.370   5.936   6.379
  191   2HB   PRO  28          2HB       PRO  28  -4.154   6.497   5.248
  192   1HG   PRO  28          1HG       PRO  28  -6.917   7.474   5.635
  193   2HG   PRO  28          2HG       PRO  28  -5.572   8.269   4.839
  194   1HD   PRO  28          1HD       PRO  28  -7.795   6.974   3.570
  195   2HD   PRO  28          2HD       PRO  28  -6.393   7.666   2.778
  196    H    LYS  29           H        LYS  29  -7.045   3.294   3.256
  197    HA   LYS  29           HA       LYS  29  -7.318   1.452   5.315
  198   1HB   LYS  29          1HB       LYS  29  -8.564   3.573   6.236
  199   2HB   LYS  29          2HB       LYS  29  -9.843   3.074   5.147
  200   1HG   LYS  29          1HG       LYS  29  -8.577   1.043   7.012
  201   2HG   LYS  29          2HG       LYS  29  -9.795   2.145   7.624
  202   1HD   LYS  29          1HD       LYS  29 -11.428   1.359   5.966
  203   2HD   LYS  29          2HD       LYS  29 -10.212   0.386   5.163
  204   1HE   LYS  29          1HE       LYS  29 -10.490  -1.332   6.631
  205   2HE   LYS  29          2HE       LYS  29 -10.318  -0.271   8.014
  206   1HZ   LYS  29          1HZ       LYS  29 -12.680   0.438   7.403
  207   2HZ   LYS  29          2HZ       LYS  29 -12.743  -0.955   6.552
  208   3HZ   LYS  29          3HZ       LYS  29 -12.468  -0.993   8.161
  209    H    GLU  30           H        GLU  30  -8.862   3.152   2.544
  210    HA   GLU  30           HA       GLU  30 -10.214   0.803   1.722
  211   1HB   GLU  30          1HB       GLU  30 -11.106   3.047   1.225
  212   2HB   GLU  30          2HB       GLU  30  -9.679   3.440   0.286
  213   1HG   GLU  30          1HG       GLU  30 -10.527   2.423  -1.557
  214   2HG   GLU  30          2HG       GLU  30 -10.794   0.931  -0.676
  215    H    CYS  31           H        CYS  31  -7.164   2.501   0.876
  216    HA   CYS  31           HA       CYS  31  -6.621   0.854  -1.358
  217   1HB   CYS  31          1HB       CYS  31  -5.522   2.846  -1.521
  218   2HB   CYS  31          2HB       CYS  31  -5.172   2.938   0.193
  219    H    ASN  32           H        ASN  32  -6.099   0.734   2.160
  220    HA   ASN  32           HA       ASN  32  -4.277  -1.473   1.878
  221   1HB   ASN  32          1HB       ASN  32  -3.648  -0.979   4.045
  222   2HB   ASN  32          2HB       ASN  32  -4.475   0.537   3.747
  223   2HD2  ASN  32          2HD2      ASN  32  -4.066  -1.487   6.065
  224   1HD2  ASN  32          1HD2      ASN  32  -5.627  -1.605   6.806
  225    H    ASN  33           H        ASN  33  -7.556  -1.059   1.610
  226    HA   ASN  33           HA       ASN  33  -8.239  -3.373   3.215
  227   1HB   ASN  33          1HB       ASN  33  -9.802  -1.587   3.573
  228   2HB   ASN  33          2HB       ASN  33  -9.843  -1.161   1.873
  229   2HD2  ASN  33          2HD2      ASN  33 -11.348  -2.806   4.360
  230   1HD2  ASN  33          1HD2      ASN  33 -12.473  -3.771   3.464
  231    H    ARG  34           H        ARG  34  -8.279  -1.985  -0.120
  232    HA   ARG  34           HA       ARG  34  -9.644  -4.002  -1.365
  233   1HB   ARG  34          1HB       ARG  34  -8.539  -1.647  -2.170
  234   2HB   ARG  34          2HB       ARG  34  -7.332  -2.737  -2.822
  235   1HG   ARG  34          1HG       ARG  34 -10.331  -2.986  -3.348
  236   2HG   ARG  34          2HG       ARG  34  -9.203  -2.206  -4.438
  237   1HD   ARG  34          1HD       ARG  34  -7.878  -4.522  -4.233
  238   2HD   ARG  34          2HD       ARG  34  -9.442  -5.141  -3.740
  239    HE   ARG  34           HE       ARG  34  -9.919  -3.611  -6.061
  240   1HH1  ARG  34          1HH1      ARG  34  -8.060  -6.470  -5.194
  241   2HH1  ARG  34          2HH1      ARG  34  -8.172  -7.177  -6.772
  242   1HH2  ARG  34          1HH2      ARG  34 -10.068  -4.544  -8.142
  243   2HH2  ARG  34          2HH2      ARG  34  -9.321  -6.074  -8.459
  244    H    GLY  35           H        GLY  35  -6.290  -3.802  -0.214
  245   1HA   GLY  35          1HA       GLY  35  -5.741  -6.452  -1.412
  246   2HA   GLY  35          2HA       GLY  35  -5.364  -6.059   0.254
  247    H    CYS  36           H        CYS  36  -3.867  -4.128   0.635
  248    HA   CYS  36           HA       CYS  36  -1.483  -4.495  -0.594
  249   1HB   CYS  36          1HB       CYS  36  -3.177  -3.160  -2.403
  250   2HB   CYS  36          2HB       CYS  36  -2.092  -1.932  -1.781
  251    H    CYS  37           H        CYS  37  -0.570  -1.692  -0.627
  252    HA   CYS  37           HA       CYS  37  -1.187  -0.976   2.148
  253   1HB   CYS  37          1HB       CYS  37   1.422  -1.202   0.718
  254   2HB   CYS  37          2HB       CYS  37   1.241   0.082   1.897
  255    H    PHE  38           H        PHE  38  -1.203   1.366   2.578
  256    HA   PHE  38           HA       PHE  38  -1.563   2.921   0.113
  257   1HB   PHE  38          1HB       PHE  38  -3.664   2.575   1.386
  258   2HB   PHE  38          2HB       PHE  38  -2.867   2.974   2.895
  259    HD1  PHE  38           HD1      PHE  38  -4.044   4.393  -0.310
  260    HD2  PHE  38           HD2      PHE  38  -2.693   5.219   3.627
  261    HE1  PHE  38           HE1      PHE  38  -4.744   6.789  -0.572
  262    HE2  PHE  38           HE2      PHE  38  -3.393   7.615   3.365
  263    HZ   PHE  38           HZ       PHE  38  -4.410   8.371   1.268
  264    H    ASP  39           H        ASP  39  -1.390   5.426   0.685
  265    HA   ASP  39           HA       ASP  39   0.198   6.198   2.801
  266   1HB   ASP  39          1HB       ASP  39   2.026   4.967   1.753
  267   2HB   ASP  39          2HB       ASP  39   1.671   5.664   0.185
  268    H    SER  40           H        SER  40   0.434   8.548   2.747
  269    HA   SER  40           HA       SER  40  -0.455   9.797   0.280
  270   1HB   SER  40          1HB       SER  40  -1.959  11.297   1.503
  271   2HB   SER  40          2HB       SER  40  -2.416   9.632   1.800
  272    HG   SER  40           HG       SER  40  -0.868   9.933   3.778
  273    H    ARG  41           H        ARG  41   2.104   9.350   2.071
  274    HA   ARG  41           HA       ARG  41   2.800  11.741   3.205
  275   1HB   ARG  41          1HB       ARG  41   3.982   9.300   3.003
  276   2HB   ARG  41          2HB       ARG  41   4.936  10.145   1.800
  277   1HG   ARG  41          1HG       ARG  41   5.120  12.014   3.701
  278   2HG   ARG  41          2HG       ARG  41   4.720  10.683   4.769
  279   1HD   ARG  41          1HD       ARG  41   6.691   9.612   3.048
  280   2HD   ARG  41          2HD       ARG  41   7.244  11.245   3.366
  281    HE   ARG  41           HE       ARG  41   7.084   9.055   5.294
  282   1HH1  ARG  41          1HH1      ARG  41   7.093  12.556   4.939
  283   2HH1  ARG  41          2HH1      ARG  41   7.658  12.846   6.550
  284   1HH2  ARG  41          1HH2      ARG  41   7.830   9.437   7.420
  285   2HH2  ARG  41          2HH2      ARG  41   8.080  11.060   7.971
  286    H    ILE  42           H        ILE  42   3.354  10.480  -0.152
  287    HA   ILE  42           HA       ILE  42   3.535  13.227  -1.072
  288    HB   ILE  42           HB       ILE  42   5.552  12.090  -2.516
  289   1HG1  ILE  42          1HG1      ILE  42   7.117  11.097  -0.872
  290   2HG1  ILE  42          2HG1      ILE  42   5.849  11.106   0.337
  291   1HG2  ILE  42          1HG2      ILE  42   5.522  13.878  -0.093
  292   2HG2  ILE  42          2HG2      ILE  42   7.042  13.452  -0.916
  293   3HG2  ILE  42          3HG2      ILE  42   5.756  14.300  -1.807
  294   1HD1  ILE  42          1HD1      ILE  42   5.028   9.859  -2.227
  295   2HD1  ILE  42          2HD1      ILE  42   6.356   9.014  -1.396
  296   3HD1  ILE  42          3HD1      ILE  42   4.808   9.279  -0.559
  297    HA   PRO  43           HA       PRO  43   1.124  11.365  -4.149
  298   1HB   PRO  43          1HB       PRO  43   0.887  13.488  -5.853
  299   2HB   PRO  43          2HB       PRO  43  -0.114  13.286  -4.429
  300   1HG   PRO  43          1HG       PRO  43   2.153  15.136  -4.854
  301   2HG   PRO  43          2HG       PRO  43   0.893  15.205  -3.638
  302   1HD   PRO  43          1HD       PRO  43   3.603  14.344  -3.257
  303   2HD   PRO  43          2HD       PRO  43   2.313  14.303  -2.070
  304    H    GLY  44           H        GLY  44   4.040  13.064  -5.063
  305   1HA   GLY  44          1HA       GLY  44   5.713  12.320  -6.406
  306   2HA   GLY  44          2HA       GLY  44   4.446  12.384  -7.615
  307    H    VAL  45           H        VAL  45   4.908  10.151  -4.789
  308    HA   VAL  45           HA       VAL  45   5.469   7.976  -6.620
  309    HB   VAL  45           HB       VAL  45   6.312   6.868  -4.817
  310   1HG1  VAL  45          1HG1      VAL  45   7.110   9.444  -5.063
  311   2HG1  VAL  45          2HG1      VAL  45   6.604   9.435  -3.356
  312   3HG1  VAL  45          3HG1      VAL  45   7.840   8.287  -3.924
  313   1HG2  VAL  45          1HG2      VAL  45   4.205   8.288  -3.193
  314   2HG2  VAL  45          2HG2      VAL  45   4.474   6.542  -3.414
  315   3HG2  VAL  45          3HG2      VAL  45   5.589   7.493  -2.403
  316    HA   PRO  46           HA       PRO  46   1.536   6.189  -6.402
  317   1HB   PRO  46          1HB       PRO  46   1.965   3.513  -6.052
  318   2HB   PRO  46          2HB       PRO  46   2.160   4.321  -7.595
  319   1HG   PRO  46          1HG       PRO  46   4.243   3.361  -5.730
  320   2HG   PRO  46          2HG       PRO  46   4.394   3.772  -7.427
  321   1HD   PRO  46          1HD       PRO  46   5.234   5.364  -5.194
  322   2HD   PRO  46          2HD       PRO  46   5.278   5.824  -6.884
  323    H    TRP  47           H        TRP  47   0.592   7.268  -4.670
  324    HA   TRP  47           HA       TRP  47   0.928   6.965  -2.087
  325   1HB   TRP  47          1HB       TRP  47  -1.526   7.246  -3.740
  326   2HB   TRP  47          2HB       TRP  47  -1.749   6.867  -2.043
  327    HD1  TRP  47           HD1      TRP  47   1.154   9.176  -3.090
  328    HE1  TRP  47           HE1      TRP  47   0.788  11.635  -2.206
  329    HE3  TRP  47           HE3      TRP  47  -3.584   8.425  -1.404
  330    HZ2  TRP  47           HZ2      TRP  47  -1.393  12.960  -0.929
  331    HZ3  TRP  47           HZ3      TRP  47  -4.761  10.354  -0.352
  332    HH2  TRP  47           HH2      TRP  47  -3.742  12.561  -0.101
  333    H    CYS  48           H        CYS  48  -0.999   4.634  -4.109
  334    HA   CYS  48           HA       CYS  48  -0.919   2.762  -1.893
  335   1HB   CYS  48          1HB       CYS  48  -3.005   3.332  -3.310
  336   2HB   CYS  48          2HB       CYS  48  -2.286   2.306  -4.535
  337    H    PHE  49           H        PHE  49   0.876   1.455  -1.798
  338    HA   PHE  49           HA       PHE  49   1.883   0.421  -4.347
  339   1HB   PHE  49          1HB       PHE  49   4.185   0.623  -3.118
  340   2HB   PHE  49          2HB       PHE  49   3.475   2.124  -3.679
  341    HD1  PHE  49           HD1      PHE  49   3.635  -0.044  -0.651
  342    HD2  PHE  49           HD2      PHE  49   3.222   3.888  -2.193
  343    HE1  PHE  49           HE1      PHE  49   3.753   0.882   1.679
  344    HE2  PHE  49           HE2      PHE  49   3.340   4.814   0.137
  345    HZ   PHE  49           HZ       PHE  49   3.604   3.300   2.045
  346    H    LYS  50           H        LYS  50   3.258  -1.591  -4.031
  347    HA   LYS  50           HA       LYS  50   1.842  -3.409  -2.413
  348   1HB   LYS  50          1HB       LYS  50   4.389  -3.602  -4.033
  349   2HB   LYS  50          2HB       LYS  50   3.742  -4.960  -3.134
  350   1HG   LYS  50          1HG       LYS  50   1.492  -3.988  -4.489
  351   2HG   LYS  50          2HG       LYS  50   2.780  -3.748  -5.654
  352   1HD   LYS  50          1HD       LYS  50   3.214  -6.334  -4.508
  353   2HD   LYS  50          2HD       LYS  50   1.497  -6.230  -4.841
  354   1HE   LYS  50          1HE       LYS  50   2.402  -5.183  -7.170
  355   2HE   LYS  50          2HE       LYS  50   3.815  -6.136  -6.760
  356   1HZ   LYS  50          1HZ       LYS  50   1.557  -7.682  -6.300
  357   2HZ   LYS  50          2HZ       LYS  50   1.410  -7.028  -7.789
  358   3HZ   LYS  50          3HZ       LYS  50   2.729  -7.915  -7.413
  359    HA   PRO  51           HA       PRO  51   4.082  -3.306   1.274
  360   1HB   PRO  51          1HB       PRO  51   4.146  -5.914   2.086
  361   2HB   PRO  51          2HB       PRO  51   2.737  -4.888   2.268
  362   1HG   PRO  51          1HG       PRO  51   3.208  -7.061   0.320
  363   2HG   PRO  51          2HG       PRO  51   1.691  -6.324   0.798
  364   1HD   PRO  51          1HD       PRO  51   3.139  -5.850  -1.633
  365   2HD   PRO  51          2HD       PRO  51   1.685  -5.030  -1.102
  366    H    LEU  52           H        LEU  52   6.115  -2.666   1.552
  367    HA   LEU  52           HA       LEU  52   8.182  -3.254   0.021
  368   1HB   LEU  52          1HB       LEU  52   8.317  -1.673   1.805
  369   2HB   LEU  52          2HB       LEU  52   8.144  -2.925   3.018
  370    HG   LEU  52           HG       LEU  52  10.510  -2.648   1.144
  371   1HD1  LEU  52          1HD1      LEU  52   9.900  -1.008   3.276
  372   2HD1  LEU  52          2HD1      LEU  52  10.985  -2.220   3.998
  373   3HD1  LEU  52          3HD1      LEU  52  11.519  -1.277   2.586
  374   1HD2  LEU  52          1HD2      LEU  52   9.671  -4.727   3.055
  375   2HD2  LEU  52          2HD2      LEU  52  10.791  -4.809   1.674
  376   3HD2  LEU  52          3HD2      LEU  52  11.353  -4.176   3.240
  377    H    GLN  53           H        GLN  53   9.577  -4.912  -0.469
  378    HA   GLN  53           HA       GLN  53   8.750  -7.486   0.169
  379   1HB   GLN  53          1HB       GLN  53  10.971  -8.138  -0.911
  380   2HB   GLN  53          2HB       GLN  53   9.914  -7.144  -1.893
  381   1HG   GLN  53          1HG       GLN  53  11.761  -5.581  -0.167
  382   2HG   GLN  53          2HG       GLN  53  12.579  -6.585  -1.347
  383   2HE2  GLN  53          2HE2      GLN  53  11.472  -3.608  -0.835
  384   1HE2  GLN  53          1HE2      GLN  53  11.073  -3.081  -2.435
  385    H    GLU  54           H        GLU  54   8.635  -7.290   2.579
  386    HA   GLU  54           HA       GLU  54  10.668  -6.721   4.227
  387   1HB   GLU  54          1HB       GLU  54   9.506  -7.956   5.907
  388   2HB   GLU  54          2HB       GLU  54   8.267  -7.411   4.794
  389   1HG   GLU  54          1HG       GLU  54   9.523 -10.191   4.906
  390   2HG   GLU  54          2HG       GLU  54   7.875  -9.769   5.325
  391    H    ALA  55           H        ALA  55  12.724  -7.468   4.498
  392    HA   ALA  55           HA       ALA  55  13.233 -10.297   4.306
  393   1HB   ALA  55          1HB       ALA  55  14.687 -10.261   2.469
  394   2HB   ALA  55          2HB       ALA  55  13.364  -9.196   1.935
  395   3HB   ALA  55          3HB       ALA  55  14.886  -8.493   2.534
  396    H    GLU  56           H        GLU  56  15.601 -10.734   4.918
  397    HA   GLU  56           HA       GLU  56  16.860  -8.540   6.262
  398   1HB   GLU  56          1HB       GLU  56  15.100  -9.707   7.842
  399   2HB   GLU  56          2HB       GLU  56  16.285 -10.994   7.943
  400   1HG   GLU  56          1HG       GLU  56  17.022  -9.690   9.714
  401   2HG   GLU  56          2HG       GLU  56  17.968  -8.962   8.430
  402    H    CYS  57           H        CYS  57  18.953  -8.706   5.596
  403    HA   CYS  57           HA       CYS  57  20.015 -11.423   5.308
  404   1HB   CYS  57          1HB       CYS  57  19.697  -9.697   3.269
  405   2HB   CYS  57          2HB       CYS  57  21.280  -9.184   3.821
  406    H    THR  58           H        THR  58  21.090  -7.954   5.662
  407    HA   THR  58           HA       THR  58  22.311  -8.403   8.167
  408    HB   THR  58           HB       THR  58  23.887  -9.709   6.679
  409    HG1  THR  58           HG1      THR  58  25.670  -8.599   7.674
  410   1HG2  THR  58          1HG2      THR  58  23.552  -7.592   4.872
  411   2HG2  THR  58          2HG2      THR  58  25.125  -7.234   5.624
  412   3HG2  THR  58          3HG2      THR  58  24.862  -8.795   4.810
  413    H    PHE  59           H        PHE  59  22.381  -6.504   9.211
  414    HA   PHE  59           HA       PHE  59  22.047  -4.342   9.542
  415   1HB   PHE  59          1HB       PHE  59  24.449  -4.416   8.802
  416   2HB   PHE  59          2HB       PHE  59  23.951  -4.313   7.125
  417    HD1  PHE  59           HD1      PHE  59  23.473  -2.397  10.301
  418    HD2  PHE  59           HD2      PHE  59  24.131  -2.257   6.111
  419    HE1  PHE  59           HE1      PHE  59  23.625   0.106  10.409
  420    HE2  PHE  59           HE2      PHE  59  24.283   0.246   6.219
  421    HZ   PHE  59           HZ       PHE  59  24.028   1.398   8.367

  No H/Q in entry =         421
  Start of MODEL    5
    1    H    GLU   1           H        GLU   1  10.397 -14.158  19.094
    2    HA   GLU   1           HA       GLU   1   8.405 -13.840  20.377
    3   1HB   GLU   1          1HB       GLU   1   9.963 -11.438  19.417
    4   2HB   GLU   1          2HB       GLU   1   8.602 -11.185  20.490
    5   1HG   GLU   1          1HG       GLU   1   9.711 -13.090  21.950
    6   2HG   GLU   1          2HG       GLU   1  11.154 -12.738  21.019
    7    H    GLU   2           H        GLU   2   7.134 -14.639  18.102
    8    HA   GLU   2           HA       GLU   2   5.315 -14.415  16.939
    9   1HB   GLU   2          1HB       GLU   2   4.760 -12.242  18.992
   10   2HB   GLU   2          2HB       GLU   2   3.595 -12.650  17.747
   11   1HG   GLU   2          1HG       GLU   2   3.266 -14.848  18.584
   12   2HG   GLU   2          2HG       GLU   2   4.791 -14.856  19.448
   13    H    TYR   3           H        TYR   3   5.595 -10.887  17.700
   14    HA   TYR   3           HA       TYR   3   5.832  -9.115  16.389
   15   1HB   TYR   3          1HB       TYR   3   8.082 -10.358  16.113
   16   2HB   TYR   3          2HB       TYR   3   7.427 -11.124  14.679
   17    HD1  TYR   3           HD1      TYR   3   8.477  -7.873  16.128
   18    HD2  TYR   3           HD2      TYR   3   7.368  -9.982  12.574
   19    HE1  TYR   3           HE1      TYR   3   9.281  -5.922  14.710
   20    HE2  TYR   3           HE2      TYR   3   8.176  -8.023  11.169
   21    HH   TYR   3           HH       TYR   3  10.105  -5.580  12.423
   22    H    VAL   4           H        VAL   4   5.329  -8.112  14.231
   23    HA   VAL   4           HA       VAL   4   4.210  -9.612  12.160
   24    HB   VAL   4           HB       VAL   4   2.508 -10.104  13.884
   25   1HG1  VAL   4          1HG1      VAL   4   2.804  -7.411  14.568
   26   2HG1  VAL   4          2HG1      VAL   4   1.191  -7.507  13.820
   27   3HG1  VAL   4          3HG1      VAL   4   1.593  -8.549  15.206
   28   1HG2  VAL   4          1HG2      VAL   4   2.025  -8.891  11.259
   29   2HG2  VAL   4          2HG2      VAL   4   1.349 -10.371  11.981
   30   3HG2  VAL   4          3HG2      VAL   4   0.620  -8.788  12.346
   31    H    GLY   5           H        GLY   5   4.294  -8.318  10.379
   32   1HA   GLY   5          1HA       GLY   5   4.928  -6.440   9.254
   33   2HA   GLY   5          2HA       GLY   5   5.000  -5.543  10.758
   34    H    LEU   6           H        LEU   6   2.113  -6.844  11.256
   35    HA   LEU   6           HA       LEU   6   0.261  -6.107   9.502
   36   1HB   LEU   6          1HB       LEU   6   0.325  -6.743  12.178
   37   2HB   LEU   6          2HB       LEU   6  -0.380  -5.139  12.191
   38    HG   LEU   6           HG       LEU   6  -1.567  -6.901  10.163
   39   1HD1  LEU   6          1HD1      LEU   6  -1.141  -7.952  12.846
   40   2HD1  LEU   6          2HD1      LEU   6  -2.866  -7.857  12.419
   41   3HD1  LEU   6          3HD1      LEU   6  -1.740  -8.758  11.377
   42   1HD2  LEU   6          1HD2      LEU   6  -2.428  -4.668  10.853
   43   2HD2  LEU   6          2HD2      LEU   6  -3.626  -5.978  10.984
   44   3HD2  LEU   6          3HD2      LEU   6  -2.822  -5.357  12.446
   45    H    SER   7           H        SER   7   0.460  -4.397   8.114
   46    HA   SER   7           HA       SER   7   0.498  -2.350   7.397
   47   1HB   SER   7          1HB       SER   7  -0.735  -0.668   8.550
   48   2HB   SER   7          2HB       SER   7  -1.467  -2.183   9.038
   49    HG   SER   7           HG       SER   7  -0.836  -1.873  11.072
   50    H    ALA   8           H        ALA   8   1.748  -0.272   7.438
   51    HA   ALA   8           HA       ALA   8   3.492   1.010   7.950
   52   1HB   ALA   8          1HB       ALA   8   3.749   1.365  10.153
   53   2HB   ALA   8          2HB       ALA   8   2.768  -0.086  10.471
   54   3HB   ALA   8          3HB       ALA   8   4.539  -0.219  10.348
   55    H    ASN   9           H        ASN   9   4.697  -1.993   9.555
   56    HA   ASN   9           HA       ASN   9   7.114  -2.027   8.458
   57   1HB   ASN   9          1HB       ASN   9   5.621  -3.791   9.981
   58   2HB   ASN   9          2HB       ASN   9   5.804  -4.721   8.507
   59   2HD2  ASN   9          2HD2      ASN   9   7.249  -3.626  11.370
   60   1HD2  ASN   9          1HD2      ASN   9   8.857  -4.226  11.136
   61    H    GLN  10           H        GLN  10   4.030  -3.268   7.044
   62    HA   GLN  10           HA       GLN  10   5.296  -4.364   4.770
   63   1HB   GLN  10          1HB       GLN  10   2.825  -4.377   3.926
   64   2HB   GLN  10          2HB       GLN  10   3.248  -5.388   5.293
   65   1HG   GLN  10          1HG       GLN  10   2.197  -3.961   6.856
   66   2HG   GLN  10          2HG       GLN  10   2.306  -2.559   5.809
   67   2HE2  GLN  10          2HE2      GLN  10   1.168  -5.871   5.193
   68   1HE2  GLN  10          1HE2      GLN  10  -0.444  -5.466   4.706
   69    H    CYS  11           H        CYS  11   3.818  -1.234   5.646
   70    HA   CYS  11           HA       CYS  11   4.369  -0.310   2.923
   71   1HB   CYS  11          1HB       CYS  11   2.772   1.424   4.688
   72   2HB   CYS  11          2HB       CYS  11   2.572   1.040   2.990
   73    H    ALA  12           H        ALA  12   6.570  -0.690   4.600
   74    HA   ALA  12           HA       ALA  12   7.098   1.948   5.756
   75   1HB   ALA  12          1HB       ALA  12   9.135  -0.121   6.138
   76   2HB   ALA  12          2HB       ALA  12   7.528  -0.653   6.687
   77   3HB   ALA  12          3HB       ALA  12   8.245   0.836   7.347
   78    H    VAL  13           H        VAL  13   6.936   1.784   2.922
   79    HA   VAL  13           HA       VAL  13   9.707   1.603   2.043
   80    HB   VAL  13           HB       VAL  13   7.680   2.398   0.095
   81   1HG1  VAL  13          1HG1      VAL  13  10.051   0.706   0.316
   82   2HG1  VAL  13          2HG1      VAL  13   8.750  -0.069  -0.620
   83   3HG1  VAL  13          3HG1      VAL  13   9.362   1.531  -1.103
   84   1HG2  VAL  13          1HG2      VAL  13   7.220  -0.023   1.822
   85   2HG2  VAL  13          2HG2      VAL  13   6.050   1.161   1.189
   86   3HG2  VAL  13          3HG2      VAL  13   6.765  -0.054   0.101
   87    HA   PRO  14           HA       PRO  14  10.206   5.894   2.062
   88   1HB   PRO  14          1HB       PRO  14  12.133   6.237   0.155
   89   2HB   PRO  14          2HB       PRO  14  12.485   5.708   1.788
   90   1HG   PRO  14          1HG       PRO  14  12.436   4.119  -0.704
   91   2HG   PRO  14          2HG       PRO  14  13.181   3.727   0.833
   92   1HD   PRO  14          1HD       PRO  14  10.726   2.667  -0.203
   93   2HD   PRO  14          2HD       PRO  14  11.412   2.366   1.381
   94    H    ALA  15           H        ALA  15  10.243   4.811  -1.308
   95    HA   ALA  15           HA       ALA  15   7.910   5.727  -2.160
   96   1HB   ALA  15          1HB       ALA  15   9.739   8.049  -1.601
   97   2HB   ALA  15          2HB       ALA  15   7.976   7.915  -1.395
   98   3HB   ALA  15          3HB       ALA  15   8.669   8.123  -3.021
   99    H    LYS  16           H        LYS  16  11.382   5.444  -2.554
  100    HA   LYS  16           HA       LYS  16  11.131   5.429  -5.454
  101   1HB   LYS  16          1HB       LYS  16  13.546   5.417  -5.478
  102   2HB   LYS  16          2HB       LYS  16  12.978   6.686  -4.413
  103   1HG   LYS  16          1HG       LYS  16  14.556   5.742  -3.006
  104   2HG   LYS  16          2HG       LYS  16  13.183   4.750  -2.557
  105   1HD   LYS  16          1HD       LYS  16  14.373   2.922  -3.172
  106   2HD   LYS  16          2HD       LYS  16  14.267   3.464  -4.835
  107   1HE   LYS  16          1HE       LYS  16  16.365   4.696  -4.655
  108   2HE   LYS  16          2HE       LYS  16  16.422   4.463  -2.919
  109   1HZ   LYS  16          1HZ       LYS  16  16.256   1.961  -3.785
  110   2HZ   LYS  16          2HZ       LYS  16  17.099   2.633  -5.012
  111   3HZ   LYS  16          3HZ       LYS  16  17.667   2.726  -3.483
  112    H    ASP  17           H        ASP  17  10.367   3.343  -3.048
  113    HA   ASP  17           HA       ASP  17  11.385   1.076  -4.574
  114   1HB   ASP  17          1HB       ASP  17  11.373   1.666  -1.710
  115   2HB   ASP  17          2HB       ASP  17  10.488   0.186  -2.020
  116    H    ARG  18           H        ARG  18   8.787   2.955  -4.432
  117    HA   ARG  18           HA       ARG  18   6.768   1.142  -3.645
  118   1HB   ARG  18          1HB       ARG  18   6.369   3.607  -5.394
  119   2HB   ARG  18          2HB       ARG  18   5.225   2.892  -4.276
  120   1HG   ARG  18          1HG       ARG  18   7.864   4.204  -3.468
  121   2HG   ARG  18          2HG       ARG  18   6.293   4.973  -3.366
  122   1HD   ARG  18          1HD       ARG  18   5.571   2.970  -1.880
  123   2HD   ARG  18          2HD       ARG  18   7.268   2.543  -1.804
  124    HE   ARG  18           HE       ARG  18   7.546   4.250  -0.247
  125   1HH1  ARG  18          1HH1      ARG  18   4.794   5.052  -2.287
  126   2HH1  ARG  18          2HH1      ARG  18   4.416   6.506  -1.425
  127   1HH2  ARG  18          1HH2      ARG  18   7.048   6.168   0.891
  128   2HH2  ARG  18          2HH2      ARG  18   5.707   7.145   0.394
  129    H    VAL  19           H        VAL  19   6.027  -0.556  -4.879
  130    HA   VAL  19           HA       VAL  19   6.763  -0.660  -7.665
  131    HB   VAL  19           HB       VAL  19   5.237  -2.599  -5.914
  132   1HG1  VAL  19          1HG1      VAL  19   6.301  -2.743  -8.727
  133   2HG1  VAL  19          2HG1      VAL  19   6.194  -4.215  -7.732
  134   3HG1  VAL  19          3HG1      VAL  19   4.728  -3.268  -8.080
  135   1HG2  VAL  19          1HG2      VAL  19   7.486  -2.179  -5.039
  136   2HG2  VAL  19          2HG2      VAL  19   7.370  -3.815  -5.731
  137   3HG2  VAL  19          3HG2      VAL  19   8.186  -2.520  -6.639
  138    H    ASP  20           H        ASP  20   4.244   0.696  -5.836
  139    HA   ASP  20           HA       ASP  20   2.308   1.528  -6.339
  140   1HB   ASP  20          1HB       ASP  20   3.199   2.626  -8.256
  141   2HB   ASP  20          2HB       ASP  20   3.415   1.123  -9.131
  142    H    CYS  21           H        CYS  21   0.451   0.345  -5.864
  143    HA   CYS  21           HA       CYS  21   0.193  -2.300  -6.964
  144   1HB   CYS  21          1HB       CYS  21  -0.394  -1.264  -4.533
  145   2HB   CYS  21          2HB       CYS  21  -1.971  -1.165  -5.291
  146    H    GLY  22           H        GLY  22  -0.860   0.977  -7.568
  147   1HA   GLY  22          1HA       GLY  22  -2.205   0.278  -9.954
  148   2HA   GLY  22          2HA       GLY  22  -2.147   1.855  -9.192
  149    H    TYR  23           H        TYR  23  -3.812   2.520  -7.732
  150    HA   TYR  23           HA       TYR  23  -6.224   0.884  -7.966
  151   1HB   TYR  23          1HB       TYR  23  -4.661   1.834  -5.538
  152   2HB   TYR  23          2HB       TYR  23  -6.408   1.894  -5.413
  153    HD1  TYR  23           HD1      TYR  23  -7.642  -0.365  -6.158
  154    HD2  TYR  23           HD2      TYR  23  -3.576  -0.102  -4.853
  155    HE1  TYR  23           HE1      TYR  23  -7.675  -2.830  -5.534
  156    HE2  TYR  23           HE2      TYR  23  -3.623  -2.567  -4.233
  157    HH   TYR  23           HH       TYR  23  -5.284  -4.235  -3.616
  158    HA   PRO  24           HA       PRO  24  -7.989   4.768  -8.701
  159   1HB   PRO  24          1HB       PRO  24 -10.636   4.202  -8.323
  160   2HB   PRO  24          2HB       PRO  24  -9.777   3.823  -9.803
  161   1HG   PRO  24          1HG       PRO  24 -10.634   2.001  -7.638
  162   2HG   PRO  24          2HG       PRO  24 -10.169   1.611  -9.282
  163   1HD   PRO  24          1HD       PRO  24  -8.579   1.262  -6.920
  164   2HD   PRO  24          2HD       PRO  24  -8.075   0.980  -8.575
  165    H    HIS  25           H        HIS  25 -10.107   3.542  -6.167
  166    HA   HIS  25           HA       HIS  25  -9.743   6.074  -4.823
  167   1HB   HIS  25          1HB       HIS  25 -11.622   5.415  -3.469
  168   2HB   HIS  25          2HB       HIS  25 -12.000   5.153  -5.160
  169    HD1  HIS  25           HD1      HIS  25 -13.744   3.614  -3.340
  170    HD2  HIS  25           HD2      HIS  25  -9.995   2.146  -4.519
  171    HE1  HIS  25           HE1      HIS  25 -13.829   1.086  -3.005
  172    HE2  HIS  25           HE2      HIS  25 -11.517   0.234  -3.797
  173    H    VAL  26           H        VAL  26  -7.524   5.858  -4.150
  174    HA   VAL  26           HA       VAL  26  -6.996   3.674  -2.290
  175    HB   VAL  26           HB       VAL  26  -4.663   4.504  -2.446
  176   1HG1  VAL  26          1HG1      VAL  26  -6.054   3.827  -5.059
  177   2HG1  VAL  26          2HG1      VAL  26  -4.294   3.764  -4.798
  178   3HG1  VAL  26          3HG1      VAL  26  -5.370   2.685  -3.878
  179   1HG2  VAL  26          1HG2      VAL  26  -5.577   6.882  -3.157
  180   2HG2  VAL  26          2HG2      VAL  26  -3.998   6.295  -3.731
  181   3HG2  VAL  26          3HG2      VAL  26  -5.421   6.206  -4.796
  182    H    THR  27           H        THR  27  -6.637   3.984  -0.097
  183    HA   THR  27           HA       THR  27  -6.409   6.672   0.934
  184    HB   THR  27           HB       THR  27  -8.512   6.786   1.982
  185    HG1  THR  27           HG1      THR  27  -9.482   4.845   2.705
  186   1HG2  THR  27          1HG2      THR  27  -9.008   4.956  -0.424
  187   2HG2  THR  27          2HG2      THR  27 -10.292   5.794   0.480
  188   3HG2  THR  27          3HG2      THR  27  -9.080   6.734  -0.423
  189    HA   PRO  28           HA       PRO  28  -4.388   4.644   4.135
  190   1HB   PRO  28          1HB       PRO  28  -5.072   5.992   6.412
  191   2HB   PRO  28          2HB       PRO  28  -3.901   6.596   5.256
  192   1HG   PRO  28          1HG       PRO  28  -6.686   7.478   5.705
  193   2HG   PRO  28          2HG       PRO  28  -5.387   8.319   4.881
  194   1HD   PRO  28          1HD       PRO  28  -7.592   6.951   3.659
  195   2HD   PRO  28          2HD       PRO  28  -6.232   7.691   2.838
  196    H    LYS  29           H        LYS  29  -6.690   3.271   3.319
  197    HA   LYS  29           HA       LYS  29  -6.865   1.427   5.376
  198   1HB   LYS  29          1HB       LYS  29  -8.164   3.507   6.331
  199   2HB   LYS  29          2HB       LYS  29  -9.452   2.950   5.282
  200   1HG   LYS  29          1HG       LYS  29  -8.407   0.631   6.618
  201   2HG   LYS  29          2HG       LYS  29  -8.608   1.872   7.839
  202   1HD   LYS  29          1HD       LYS  29 -10.948   2.101   6.304
  203   2HD   LYS  29          2HD       LYS  29 -10.661   0.373   6.337
  204   1HE   LYS  29          1HE       LYS  29 -10.998   0.210   8.627
  205   2HE   LYS  29          2HE       LYS  29 -10.317   1.791   8.953
  206   1HZ   LYS  29          1HZ       LYS  29 -12.882   1.486   7.576
  207   2HZ   LYS  29          2HZ       LYS  29 -12.781   1.539   9.205
  208   3HZ   LYS  29          3HZ       LYS  29 -12.287   2.815   8.314
  209    H    GLU  30           H        GLU  30  -8.796   3.079   2.793
  210    HA   GLU  30           HA       GLU  30 -10.013   0.708   1.960
  211   1HB   GLU  30          1HB       GLU  30 -11.032   2.836   1.431
  212   2HB   GLU  30          2HB       GLU  30  -9.591   3.403   0.610
  213   1HG   GLU  30          1HG       GLU  30 -10.050   2.221  -1.319
  214   2HG   GLU  30          2HG       GLU  30 -10.709   0.848  -0.453
  215    H    CYS  31           H        CYS  31  -7.076   2.510   0.886
  216    HA   CYS  31           HA       CYS  31  -6.558   0.890  -1.331
  217   1HB   CYS  31          1HB       CYS  31  -5.418   2.858  -1.442
  218   2HB   CYS  31          2HB       CYS  31  -5.052   2.890   0.271
  219    H    ASN  32           H        ASN  32  -5.870   0.667   2.170
  220    HA   ASN  32           HA       ASN  32  -4.144  -1.588   1.751
  221   1HB   ASN  32          1HB       ASN  32  -3.475  -0.139   3.560
  222   2HB   ASN  32          2HB       ASN  32  -5.105  -0.039   4.195
  223   2HD2  ASN  32          2HD2      ASN  32  -5.197  -0.979   6.081
  224   1HD2  ASN  32          1HD2      ASN  32  -4.522  -2.510   6.528
  225    H    ASN  33           H        ASN  33  -7.441  -1.039   1.705
  226    HA   ASN  33           HA       ASN  33  -8.142  -3.356   3.275
  227   1HB   ASN  33          1HB       ASN  33  -9.593  -1.389   3.521
  228   2HB   ASN  33          2HB       ASN  33  -9.794  -1.255   1.785
  229   2HD2  ASN  33          2HD2      ASN  33 -12.071  -1.253   2.686
  230   1HD2  ASN  33          1HD2      ASN  33 -12.903  -2.771   2.751
  231    H    ARG  34           H        ARG  34  -8.104  -2.050  -0.086
  232    HA   ARG  34           HA       ARG  34  -9.523  -4.086  -1.277
  233   1HB   ARG  34          1HB       ARG  34  -8.437  -1.739  -2.138
  234   2HB   ARG  34          2HB       ARG  34  -7.238  -2.839  -2.791
  235   1HG   ARG  34          1HG       ARG  34 -10.243  -3.133  -3.257
  236   2HG   ARG  34          2HG       ARG  34  -9.159  -2.323  -4.371
  237   1HD   ARG  34          1HD       ARG  34  -7.776  -4.622  -4.166
  238   2HD   ARG  34          2HD       ARG  34  -9.338  -5.261  -3.694
  239    HE   ARG  34           HE       ARG  34  -9.925  -3.794  -5.969
  240   1HH1  ARG  34          1HH1      ARG  34  -7.614  -6.347  -5.244
  241   2HH1  ARG  34          2HH1      ARG  34  -7.604  -6.972  -6.859
  242   1HH2  ARG  34          1HH2      ARG  34  -9.912  -4.619  -8.101
  243   2HH2  ARG  34          2HH2      ARG  34  -8.920  -5.982  -8.495
  244    H    GLY  35           H        GLY  35  -6.199  -3.888  -0.090
  245   1HA   GLY  35          1HA       GLY  35  -5.639  -6.547  -1.264
  246   2HA   GLY  35          2HA       GLY  35  -5.236  -6.105   0.383
  247    H    CYS  36           H        CYS  36  -3.771  -4.107   0.658
  248    HA   CYS  36           HA       CYS  36  -1.399  -4.522  -0.624
  249   1HB   CYS  36          1HB       CYS  36  -3.145  -3.196  -2.384
  250   2HB   CYS  36          2HB       CYS  36  -2.053  -1.960  -1.793
  251    H    CYS  37           H        CYS  37  -0.490  -1.716  -0.690
  252    HA   CYS  37           HA       CYS  37  -1.024  -0.994   2.100
  253   1HB   CYS  37          1HB       CYS  37   1.534  -1.315   0.626
  254   2HB   CYS  37          2HB       CYS  37   1.420   0.064   1.702
  255    H    PHE  38           H        PHE  38  -0.983   1.358   2.523
  256    HA   PHE  38           HA       PHE  38  -1.417   2.903   0.064
  257   1HB   PHE  38          1HB       PHE  38  -3.483   2.584   1.396
  258   2HB   PHE  38          2HB       PHE  38  -2.638   2.970   2.882
  259    HD1  PHE  38           HD1      PHE  38  -3.974   4.390  -0.247
  260    HD2  PHE  38           HD2      PHE  38  -2.336   5.231   3.577
  261    HE1  PHE  38           HE1      PHE  38  -4.655   6.794  -0.484
  262    HE2  PHE  38           HE2      PHE  38  -3.017   7.635   3.340
  263    HZ   PHE  38           HZ       PHE  38  -4.168   8.388   1.312
  264    H    ASP  39           H        ASP  39  -1.208   5.409   0.620
  265    HA   ASP  39           HA       ASP  39   0.456   6.171   2.684
  266   1HB   ASP  39          1HB       ASP  39   2.213   4.899   1.520
  267   2HB   ASP  39          2HB       ASP  39   1.839   5.695   0.005
  268    H    SER  40           H        SER  40   0.666   8.516   2.641
  269    HA   SER  40           HA       SER  40  -0.263   9.782   0.199
  270   1HB   SER  40          1HB       SER  40  -1.745  11.280   1.476
  271   2HB   SER  40          2HB       SER  40  -2.218   9.608   1.702
  272    HG   SER  40           HG       SER  40  -2.074  10.039   3.793
  273    H    ARG  41           H        ARG  41   2.318   9.334   1.951
  274    HA   ARG  41           HA       ARG  41   3.008  11.721   3.103
  275   1HB   ARG  41          1HB       ARG  41   4.202   9.286   2.871
  276   2HB   ARG  41          2HB       ARG  41   5.143  10.150   1.671
  277   1HG   ARG  41          1HG       ARG  41   6.024  11.673   3.253
  278   2HG   ARG  41          2HG       ARG  41   4.709  11.421   4.384
  279   1HD   ARG  41          1HD       ARG  41   5.679   8.900   4.391
  280   2HD   ARG  41          2HD       ARG  41   7.149   9.716   3.896
  281    HE   ARG  41           HE       ARG  41   5.837   9.907   6.516
  282   1HH1  ARG  41          1HH1      ARG  41   8.115  11.417   4.299
  283   2HH1  ARG  41          2HH1      ARG  41   8.939  12.297   5.543
  284   1HH2  ARG  41          1HH2      ARG  41   6.924  11.068   8.158
  285   2HH2  ARG  41          2HH2      ARG  41   8.257  12.097   7.752
  286    H    ILE  42           H        ILE  42   3.327  10.537  -0.289
  287    HA   ILE  42           HA       ILE  42   3.539  13.268  -1.186
  288    HB   ILE  42           HB       ILE  42   5.570  12.217  -2.656
  289   1HG1  ILE  42          1HG1      ILE  42   7.171  11.201  -1.068
  290   2HG1  ILE  42          2HG1      ILE  42   5.925  11.158   0.164
  291   1HG2  ILE  42          1HG2      ILE  42   5.258  14.441  -1.372
  292   2HG2  ILE  42          2HG2      ILE  42   6.140  13.625  -0.059
  293   3HG2  ILE  42          3HG2      ILE  42   6.906  13.830  -1.652
  294   1HD1  ILE  42          1HD1      ILE  42   5.246   9.933  -2.495
  295   2HD1  ILE  42          2HD1      ILE  42   6.399   9.060  -1.457
  296   3HD1  ILE  42          3HD1      ILE  42   4.764   9.429  -0.857
  297    HA   PRO  43           HA       PRO  43   1.146  11.353  -4.246
  298   1HB   PRO  43          1HB       PRO  43   0.818  13.483  -5.926
  299   2HB   PRO  43          2HB       PRO  43  -0.158  13.235  -4.492
  300   1HG   PRO  43          1HG       PRO  43   2.041  15.163  -4.926
  301   2HG   PRO  43          2HG       PRO  43   0.795  15.178  -3.694
  302   1HD   PRO  43          1HD       PRO  43   3.536  14.403  -3.354
  303   2HD   PRO  43          2HD       PRO  43   2.263  14.309  -2.153
  304    H    GLY  44           H        GLY  44   4.009  13.134  -5.156
  305   1HA   GLY  44          1HA       GLY  44   5.683  12.465  -6.533
  306   2HA   GLY  44          2HA       GLY  44   4.401  12.499  -7.728
  307    H    VAL  45           H        VAL  45   4.730  10.238  -4.928
  308    HA   VAL  45           HA       VAL  45   5.409   8.099  -6.788
  309    HB   VAL  45           HB       VAL  45   6.286   6.976  -5.000
  310   1HG1  VAL  45          1HG1      VAL  45   6.705   9.861  -4.930
  311   2HG1  VAL  45          2HG1      VAL  45   6.984   9.108  -3.341
  312   3HG1  VAL  45          3HG1      VAL  45   7.878   8.532  -4.769
  313   1HG2  VAL  45          1HG2      VAL  45   4.248   8.431  -3.317
  314   2HG2  VAL  45          2HG2      VAL  45   4.476   6.681  -3.546
  315   3HG2  VAL  45          3HG2      VAL  45   5.642   7.611  -2.574
  316    HA   PRO  46           HA       PRO  46   1.520   6.227  -6.502
  317   1HB   PRO  46          1HB       PRO  46   2.010   3.559  -6.172
  318   2HB   PRO  46          2HB       PRO  46   2.159   4.377  -7.715
  319   1HG   PRO  46          1HG       PRO  46   4.296   3.452  -5.894
  320   2HG   PRO  46          2HG       PRO  46   4.406   3.874  -7.591
  321   1HD   PRO  46          1HD       PRO  46   5.256   5.473  -5.368
  322   2HD   PRO  46          2HD       PRO  46   5.259   5.941  -7.057
  323    H    TRP  47           H        TRP  47   0.623   7.303  -4.732
  324    HA   TRP  47           HA       TRP  47   1.011   6.970  -2.161
  325   1HB   TRP  47          1HB       TRP  47  -1.485   7.252  -3.753
  326   2HB   TRP  47          2HB       TRP  47  -1.657   6.874  -2.051
  327    HD1  TRP  47           HD1      TRP  47   1.203   9.193  -3.197
  328    HE1  TRP  47           HE1      TRP  47   0.858  11.651  -2.301
  329    HE3  TRP  47           HE3      TRP  47  -3.469   8.424  -1.343
  330    HZ2  TRP  47           HZ2      TRP  47  -1.281  12.968  -0.947
  331    HZ3  TRP  47           HZ3      TRP  47  -4.616  10.348  -0.249
  332    HH2  TRP  47           HH2      TRP  47  -3.597  12.559  -0.036
  333    H    CYS  48           H        CYS  48  -1.027   4.680  -4.125
  334    HA   CYS  48           HA       CYS  48  -0.863   2.776  -1.947
  335   1HB   CYS  48          1HB       CYS  48  -2.988   3.368  -3.292
  336   2HB   CYS  48          2HB       CYS  48  -2.310   2.355  -4.552
  337    H    PHE  49           H        PHE  49   0.906   1.432  -1.921
  338    HA   PHE  49           HA       PHE  49   1.836   0.427  -4.508
  339   1HB   PHE  49          1HB       PHE  49   4.179   0.612  -3.348
  340   2HB   PHE  49          2HB       PHE  49   3.460   2.116  -3.891
  341    HD1  PHE  49           HD1      PHE  49   3.620  -0.051  -0.856
  342    HD2  PHE  49           HD2      PHE  49   3.337   3.888  -2.410
  343    HE1  PHE  49           HE1      PHE  49   3.812   0.880   1.468
  344    HE2  PHE  49           HE2      PHE  49   3.529   4.818  -0.087
  345    HZ   PHE  49           HZ       PHE  49   3.763   3.303   1.824
  346    H    LYS  50           H        LYS  50   3.228  -1.586  -4.242
  347    HA   LYS  50           HA       LYS  50   1.854  -3.443  -2.669
  348   1HB   LYS  50          1HB       LYS  50   4.419  -3.508  -4.254
  349   2HB   LYS  50          2HB       LYS  50   3.910  -4.891  -3.307
  350   1HG   LYS  50          1HG       LYS  50   1.565  -4.141  -4.660
  351   2HG   LYS  50          2HG       LYS  50   2.821  -3.859  -5.849
  352   1HD   LYS  50          1HD       LYS  50   3.477  -6.349  -4.630
  353   2HD   LYS  50          2HD       LYS  50   1.743  -6.396  -4.881
  354   1HE   LYS  50          1HE       LYS  50   2.781  -5.266  -7.267
  355   2HE   LYS  50          2HE       LYS  50   3.902  -6.551  -6.860
  356   1HZ   LYS  50          1HZ       LYS  50   1.860  -7.951  -6.539
  357   2HZ   LYS  50          2HZ       LYS  50   1.014  -6.768  -7.282
  358   3HZ   LYS  50          3HZ       LYS  50   2.213  -7.539  -8.079
  359    HA   PRO  51           HA       PRO  51   3.929  -3.301   1.112
  360   1HB   PRO  51          1HB       PRO  51   3.981  -5.909   1.926
  361   2HB   PRO  51          2HB       PRO  51   2.557  -4.895   2.049
  362   1HG   PRO  51          1HG       PRO  51   3.128  -7.063   0.122
  363   2HG   PRO  51          2HG       PRO  51   1.587  -6.340   0.535
  364   1HD   PRO  51          1HD       PRO  51   3.131  -5.852  -1.832
  365   2HD   PRO  51          2HD       PRO  51   1.648  -5.044  -1.363
  366    H    LEU  52           H        LEU  52   5.941  -2.684   1.548
  367    HA   LEU  52           HA       LEU  52   8.079  -3.258   0.075
  368   1HB   LEU  52          1HB       LEU  52   8.326  -1.651   1.718
  369   2HB   LEU  52          2HB       LEU  52   7.759  -2.706   2.998
  370    HG   LEU  52           HG       LEU  52  10.394  -3.129   1.571
  371   1HD1  LEU  52          1HD1      LEU  52   9.813  -1.514   4.064
  372   2HD1  LEU  52          2HD1      LEU  52  11.433  -2.086   3.599
  373   3HD1  LEU  52          3HD1      LEU  52  10.552  -0.954   2.545
  374   1HD2  LEU  52          1HD2      LEU  52   8.905  -4.670   3.458
  375   2HD2  LEU  52          2HD2      LEU  52  10.498  -5.007   2.740
  376   3HD2  LEU  52          3HD2      LEU  52  10.382  -4.075   4.252
  377    H    GLN  53           H        GLN  53   9.503  -4.914  -0.325
  378    HA   GLN  53           HA       GLN  53   8.669  -7.482   0.309
  379   1HB   GLN  53          1HB       GLN  53  10.928  -8.144  -0.650
  380   2HB   GLN  53          2HB       GLN  53   9.952  -7.127  -1.691
  381   1HG   GLN  53          1HG       GLN  53  11.750  -5.645   0.174
  382   2HG   GLN  53          2HG       GLN  53  12.579  -6.611  -1.030
  383   2HE2  GLN  53          2HE2      GLN  53  11.914  -3.636  -0.513
  384   1HE2  GLN  53          1HE2      GLN  53  11.429  -3.028  -2.061
  385    H    GLU  54           H        GLU  54   8.414  -7.267   2.703
  386    HA   GLU  54           HA       GLU  54  10.448  -6.694   4.411
  387   1HB   GLU  54          1HB       GLU  54   9.161  -7.942   6.100
  388   2HB   GLU  54          2HB       GLU  54   8.086  -7.001   5.085
  389   1HG   GLU  54          1HG       GLU  54   6.937  -8.910   4.661
  390   2HG   GLU  54          2HG       GLU  54   8.313  -9.463   3.727
  391    H    ALA  55           H        ALA  55  12.503  -7.525   4.231
  392    HA   ALA  55           HA       ALA  55  12.707 -10.450   4.294
  393   1HB   ALA  55          1HB       ALA  55  14.437 -10.426   2.644
  394   2HB   ALA  55          2HB       ALA  55  13.112  -9.442   1.980
  395   3HB   ALA  55          3HB       ALA  55  14.544  -8.650   2.678
  396    H    GLU  56           H        GLU  56  13.892 -11.130   6.011
  397    HA   GLU  56           HA       GLU  56  14.962 -10.929   7.920
  398   1HB   GLU  56          1HB       GLU  56  17.250 -10.936   7.581
  399   2HB   GLU  56          2HB       GLU  56  16.719 -11.072   5.916
  400   1HG   GLU  56          1HG       GLU  56  16.706  -8.351   6.161
  401   2HG   GLU  56          2HG       GLU  56  17.950  -8.735   7.334
  402    H    CYS  57           H        CYS  57  16.906  -9.064   8.918
  403    HA   CYS  57           HA       CYS  57  17.067  -7.160   9.995
  404   1HB   CYS  57          1HB       CYS  57  15.359  -6.152   7.721
  405   2HB   CYS  57          2HB       CYS  57  15.919  -5.103   9.009
  406    H    THR  58           H        THR  58  16.036  -6.234  11.830
  407    HA   THR  58           HA       THR  58  13.134  -6.519  12.012
  408    HB   THR  58           HB       THR  58  13.474  -7.622  14.282
  409    HG1  THR  58           HG1      THR  58  15.623  -7.280  14.807
  410   1HG2  THR  58          1HG2      THR  58  13.227  -8.960  12.015
  411   2HG2  THR  58          2HG2      THR  58  14.972  -9.257  12.200
  412   3HG2  THR  58          3HG2      THR  58  13.837  -9.823  13.448
  413    H    PHE  59           H        PHE  59  16.156  -5.468  13.714
  414    HA   PHE  59           HA       PHE  59  14.738  -2.970  14.282
  415   1HB   PHE  59          1HB       PHE  59  14.714  -4.131  16.391
  416   2HB   PHE  59          2HB       PHE  59  16.241  -4.928  16.069
  417    HD1  PHE  59           HD1      PHE  59  14.733  -1.663  16.952
  418    HD2  PHE  59           HD2      PHE  59  18.274  -3.998  16.818
  419    HE1  PHE  59           HE1      PHE  59  15.928   0.070  18.319
  420    HE2  PHE  59           HE2      PHE  59  19.469  -2.265  18.185
  421    HZ   PHE  59           HZ       PHE  59  18.282  -0.252  18.920

  No H/Q in entry =         421
  Start of MODEL    6
    1    H    GLU   1           H        GLU   1  -0.608  -6.422  21.863
    2    HA   GLU   1           HA       GLU   1   0.778  -5.559  23.358
    3   1HB   GLU   1          1HB       GLU   1   0.918  -8.495  23.339
    4   2HB   GLU   1          2HB       GLU   1   2.325  -7.786  24.105
    5   1HG   GLU   1          1HG       GLU   1   0.258  -6.244  25.157
    6   2HG   GLU   1          2HG       GLU   1  -0.500  -7.817  25.011
    7    H    GLU   2           H        GLU   2   2.708  -7.768  21.214
    8    HA   GLU   2           HA       GLU   2   4.551  -5.630  20.782
    9   1HB   GLU   2          1HB       GLU   2   6.551  -6.885  21.517
   10   2HB   GLU   2          2HB       GLU   2   5.463  -6.595  22.860
   11   1HG   GLU   2          1HG       GLU   2   4.687  -9.083  21.613
   12   2HG   GLU   2          2HG       GLU   2   6.422  -9.122  21.855
   13    H    TYR   3           H        TYR   3   3.084  -6.333  18.791
   14    HA   TYR   3           HA       TYR   3   4.817  -7.685  16.999
   15   1HB   TYR   3          1HB       TYR   3   3.459  -9.454  18.484
   16   2HB   TYR   3          2HB       TYR   3   2.074  -8.945  17.539
   17    HD1  TYR   3           HD1      TYR   3   2.576  -8.924  14.867
   18    HD2  TYR   3           HD2      TYR   3   4.582 -11.349  17.766
   19    HE1  TYR   3           HE1      TYR   3   3.216 -10.582  13.048
   20    HE2  TYR   3           HE2      TYR   3   5.215 -12.998  15.937
   21    HH   TYR   3           HH       TYR   3   3.911 -12.697  12.708
   22    H    VAL   4           H        VAL   4   4.508  -6.767  15.025
   23    HA   VAL   4           HA       VAL   4   1.986  -6.302  13.923
   24    HB   VAL   4           HB       VAL   4   1.834  -4.575  15.643
   25   1HG1  VAL   4          1HG1      VAL   4   4.518  -4.236  15.354
   26   2HG1  VAL   4          2HG1      VAL   4   3.907  -2.840  14.434
   27   3HG1  VAL   4          3HG1      VAL   4   3.437  -3.058  16.137
   28   1HG2  VAL   4          1HG2      VAL   4   1.985  -3.821  12.741
   29   2HG2  VAL   4          2HG2      VAL   4   0.571  -3.951  13.814
   30   3HG2  VAL   4          3HG2      VAL   4   1.671  -2.558  13.955
   31    H    GLY   5           H        GLY   5   2.911  -7.276  12.110
   32   1HA   GLY   5          1HA       GLY   5   4.902  -7.517  10.732
   33   2HA   GLY   5          2HA       GLY   5   5.157  -5.790  10.884
   34    H    LEU   6           H        LEU   6   1.836  -6.115  10.782
   35    HA   LEU   6           HA       LEU   6   1.812  -5.967   7.847
   36   1HB   LEU   6          1HB       LEU   6  -0.562  -6.686   8.042
   37   2HB   LEU   6          2HB       LEU   6   0.630  -7.895   8.477
   38    HG   LEU   6           HG       LEU   6  -0.186  -6.425  10.832
   39   1HD1  LEU   6          1HD1      LEU   6  -2.248  -6.018   9.528
   40   2HD1  LEU   6          2HD1      LEU   6  -2.444  -7.776   9.330
   41   3HD1  LEU   6          3HD1      LEU   6  -2.517  -7.050  10.953
   42   1HD2  LEU   6          1HD2      LEU   6  -0.335  -9.317   9.956
   43   2HD2  LEU   6          2HD2      LEU   6   0.865  -8.549  11.023
   44   3HD2  LEU   6          3HD2      LEU   6  -0.817  -8.748  11.572
   45    H    SER   7           H        SER   7   2.632  -3.700   9.149
   46    HA   SER   7           HA       SER   7   0.826  -1.850   8.261
   47   1HB   SER   7          1HB       SER   7   0.220  -0.861  10.607
   48   2HB   SER   7          2HB       SER   7  -0.730  -2.193   9.981
   49    HG   SER   7           HG       SER   7   0.536  -3.662  11.278
   50    H    ALA   8           H        ALA   8   2.235  -0.228   7.719
   51    HA   ALA   8           HA       ALA   8   3.755   1.391   8.033
   52   1HB   ALA   8          1HB       ALA   8   4.628   1.917  10.135
   53   2HB   ALA   8          2HB       ALA   8   4.680   0.215  10.654
   54   3HB   ALA   8          3HB       ALA   8   3.122   1.071  10.563
   55    H    ASN   9           H        ASN   9   5.224  -1.440   9.774
   56    HA   ASN   9           HA       ASN   9   7.645  -1.252   8.573
   57   1HB   ASN   9          1HB       ASN   9   6.123  -3.306  10.060
   58   2HB   ASN   9          2HB       ASN   9   7.246  -4.029   8.925
   59   2HD2  ASN   9          2HD2      ASN   9   7.786  -4.573  11.394
   60   1HD2  ASN   9          1HD2      ASN   9   9.110  -3.667  12.046
   61    H    GLN  10           H        GLN  10   4.588  -2.740   7.454
   62    HA   GLN  10           HA       GLN  10   5.860  -4.052   5.260
   63   1HB   GLN  10          1HB       GLN  10   3.603  -4.602   6.641
   64   2HB   GLN  10          2HB       GLN  10   2.883  -3.657   5.352
   65   1HG   GLN  10          1HG       GLN  10   4.359  -5.192   3.766
   66   2HG   GLN  10          2HG       GLN  10   4.421  -6.261   5.154
   67   2HE2  GLN  10          2HE2      GLN  10   3.267  -7.814   3.985
   68   1HE2  GLN  10          1HE2      GLN  10   1.552  -7.723   3.755
   69    H    CYS  11           H        CYS  11   4.132  -1.010   5.928
   70    HA   CYS  11           HA       CYS  11   4.403  -0.342   3.088
   71   1HB   CYS  11          1HB       CYS  11   2.618   1.244   4.868
   72   2HB   CYS  11          2HB       CYS  11   2.494   0.915   3.151
   73    H    ALA  12           H        ALA  12   6.705  -0.239   4.634
   74    HA   ALA  12           HA       ALA  12   6.938   2.621   5.279
   75   1HB   ALA  12          1HB       ALA  12   9.045   1.485   6.558
   76   2HB   ALA  12          2HB       ALA  12   7.450   1.714   7.313
   77   3HB   ALA  12          3HB       ALA  12   7.887   0.134   6.619
   78    H    VAL  13           H        VAL  13   7.066   2.203   2.653
   79    HA   VAL  13           HA       VAL  13   9.809   1.552   1.942
   80    HB   VAL  13           HB       VAL  13   7.926   2.492  -0.118
   81   1HG1  VAL  13          1HG1      VAL  13  10.141   0.607   0.208
   82   2HG1  VAL  13          2HG1      VAL  13   8.793  -0.071  -0.736
   83   3HG1  VAL  13          3HG1      VAL  13   9.560   1.452  -1.246
   84   1HG2  VAL  13          1HG2      VAL  13   7.281   0.128   1.647
   85   2HG2  VAL  13          2HG2      VAL  13   6.212   1.435   1.083
   86   3HG2  VAL  13          3HG2      VAL  13   6.765   0.183  -0.056
   87    HA   PRO  14           HA       PRO  14  10.989   5.699   1.667
   88   1HB   PRO  14          1HB       PRO  14  13.036   5.569  -0.139
   89   2HB   PRO  14          2HB       PRO  14  13.219   5.136   1.549
   90   1HG   PRO  14          1HG       PRO  14  13.036   3.363  -0.809
   91   2HG   PRO  14          2HG       PRO  14  13.633   2.995   0.797
   92   1HD   PRO  14          1HD       PRO  14  11.092   2.246  -0.303
   93   2HD   PRO  14          2HD       PRO  14  11.643   1.980   1.339
   94    H    ALA  15           H        ALA  15   9.241   4.248  -0.630
   95    HA   ALA  15           HA       ALA  15   7.819   5.245  -2.064
   96   1HB   ALA  15          1HB       ALA  15   9.350   7.773  -2.401
   97   2HB   ALA  15          2HB       ALA  15   8.721   7.464  -0.764
   98   3HB   ALA  15          3HB       ALA  15   7.607   7.515  -2.151
   99    H    LYS  16           H        LYS  16  11.344   5.334  -2.320
  100    HA   LYS  16           HA       LYS  16  11.229   5.395  -5.214
  101   1HB   LYS  16          1HB       LYS  16  13.658   5.455  -5.088
  102   2HB   LYS  16          2HB       LYS  16  12.956   6.682  -4.053
  103   1HG   LYS  16          1HG       LYS  16  14.384   5.815  -2.480
  104   2HG   LYS  16          2HG       LYS  16  13.112   4.629  -2.258
  105   1HD   LYS  16          1HD       LYS  16  15.017   3.274  -2.570
  106   2HD   LYS  16          2HD       LYS  16  14.300   3.287  -4.169
  107   1HE   LYS  16          1HE       LYS  16  16.072   4.409  -5.080
  108   2HE   LYS  16          2HE       LYS  16  16.131   5.565  -3.765
  109   1HZ   LYS  16          1HZ       LYS  16  17.238   3.870  -2.437
  110   2HZ   LYS  16          2HZ       LYS  16  17.232   2.841  -3.705
  111   3HZ   LYS  16          3HZ       LYS  16  18.089   4.229  -3.783
  112    H    ASP  17           H        ASP  17  10.352   3.144  -3.058
  113    HA   ASP  17           HA       ASP  17  11.495   1.026  -4.701
  114   1HB   ASP  17          1HB       ASP  17  11.822   1.442  -1.883
  115   2HB   ASP  17          2HB       ASP  17  10.739   0.076  -2.056
  116    H    ARG  18           H        ARG  18   8.875   2.696  -4.579
  117    HA   ARG  18           HA       ARG  18   6.928   0.908  -3.597
  118   1HB   ARG  18          1HB       ARG  18   6.451   3.189  -5.567
  119   2HB   ARG  18          2HB       ARG  18   5.318   2.536  -4.401
  120   1HG   ARG  18          1HG       ARG  18   7.932   3.702  -3.413
  121   2HG   ARG  18          2HG       ARG  18   6.640   4.789  -3.883
  122   1HD   ARG  18          1HD       ARG  18   5.291   2.917  -2.310
  123   2HD   ARG  18          2HD       ARG  18   6.844   3.024  -1.507
  124    HE   ARG  18           HE       ARG  18   5.551   5.599  -2.209
  125   1HH1  ARG  18          1HH1      ARG  18   6.252   3.198   0.265
  126   2HH1  ARG  18          2HH1      ARG  18   5.917   4.271   1.583
  127   1HH2  ARG  18          1HH2      ARG  18   5.108   7.015  -0.472
  128   2HH2  ARG  18          2HH2      ARG  18   5.261   6.457   1.161
  129    H    VAL  19           H        VAL  19   5.545  -0.507  -4.786
  130    HA   VAL  19           HA       VAL  19   6.519  -1.098  -7.480
  131    HB   VAL  19           HB       VAL  19   4.973  -2.678  -5.424
  132   1HG1  VAL  19          1HG1      VAL  19   5.443  -3.222  -8.348
  133   2HG1  VAL  19          2HG1      VAL  19   5.337  -4.567  -7.188
  134   3HG1  VAL  19          3HG1      VAL  19   3.968  -3.445  -7.377
  135   1HG2  VAL  19          1HG2      VAL  19   7.788  -2.486  -6.246
  136   2HG2  VAL  19          2HG2      VAL  19   7.069  -3.132  -4.752
  137   3HG2  VAL  19          3HG2      VAL  19   7.166  -4.153  -6.207
  138    H    ASP  20           H        ASP  20   4.226   0.805  -5.997
  139    HA   ASP  20           HA       ASP  20   2.284   1.618  -6.541
  140   1HB   ASP  20          1HB       ASP  20   3.349   2.591  -8.435
  141   2HB   ASP  20          2HB       ASP  20   3.517   1.049  -9.250
  142    H    CYS  21           H        CYS  21   0.659   0.196  -5.770
  143    HA   CYS  21           HA       CYS  21   0.188  -2.310  -6.985
  144   1HB   CYS  21          1HB       CYS  21  -0.368  -1.240  -4.559
  145   2HB   CYS  21          2HB       CYS  21  -1.939  -1.094  -5.321
  146    H    GLY  22           H        GLY  22  -0.784   1.007  -7.565
  147   1HA   GLY  22          1HA       GLY  22  -2.106   0.377  -9.977
  148   2HA   GLY  22          2HA       GLY  22  -2.055   1.934  -9.174
  149    H    TYR  23           H        TYR  23  -3.748   2.578  -7.747
  150    HA   TYR  23           HA       TYR  23  -6.154   0.939  -8.038
  151   1HB   TYR  23          1HB       TYR  23  -4.630   1.873  -5.581
  152   2HB   TYR  23          2HB       TYR  23  -6.377   1.950  -5.483
  153    HD1  TYR  23           HD1      TYR  23  -7.616  -0.299  -6.273
  154    HD2  TYR  23           HD2      TYR  23  -3.582  -0.072  -4.867
  155    HE1  TYR  23           HE1      TYR  23  -7.684  -2.765  -5.657
  156    HE2  TYR  23           HE2      TYR  23  -3.663  -2.539  -4.256
  157    HH   TYR  23           HH       TYR  23  -5.837  -4.614  -5.431
  158    HA   PRO  24           HA       PRO  24  -7.924   4.818  -8.784
  159   1HB   PRO  24          1HB       PRO  24 -10.573   4.247  -8.434
  160   2HB   PRO  24          2HB       PRO  24  -9.697   3.870  -9.905
  161   1HG   PRO  24          1HG       PRO  24 -10.573   2.046  -7.750
  162   2HG   PRO  24          2HG       PRO  24 -10.091   1.656  -9.389
  163   1HD   PRO  24          1HD       PRO  24  -8.525   1.310  -7.011
  164   2HD   PRO  24          2HD       PRO  24  -8.002   1.030  -8.660
  165    H    HIS  25           H        HIS  25 -10.102   3.615  -6.296
  166    HA   HIS  25           HA       HIS  25  -9.731   6.135  -4.935
  167   1HB   HIS  25          1HB       HIS  25 -11.645   5.505  -3.628
  168   2HB   HIS  25          2HB       HIS  25 -11.990   5.227  -5.323
  169    HD1  HIS  25           HD1      HIS  25 -13.766   3.727  -3.476
  170    HD2  HIS  25           HD2      HIS  25 -10.040   2.205  -4.656
  171    HE1  HIS  25           HE1      HIS  25 -13.883   1.202  -3.128
  172    HE2  HIS  25           HE2      HIS  25 -11.584   0.316  -3.922
  173    H    VAL  26           H        VAL  26  -7.530   5.897  -4.216
  174    HA   VAL  26           HA       VAL  26  -7.054   3.700  -2.361
  175    HB   VAL  26           HB       VAL  26  -4.715   4.531  -2.455
  176   1HG1  VAL  26          1HG1      VAL  26  -6.028   3.873  -5.114
  177   2HG1  VAL  26          2HG1      VAL  26  -4.282   3.774  -4.779
  178   3HG1  VAL  26          3HG1      VAL  26  -5.417   2.714  -3.909
  179   1HG2  VAL  26          1HG2      VAL  26  -5.832   6.873  -3.415
  180   2HG2  VAL  26          2HG2      VAL  26  -4.102   6.451  -3.442
  181   3HG2  VAL  26          3HG2      VAL  26  -5.116   6.142  -4.872
  182    H    THR  27           H        THR  27  -6.866   3.974  -0.160
  183    HA   THR  27           HA       THR  27  -6.596   6.653   0.908
  184    HB   THR  27           HB       THR  27  -8.730   6.764   1.919
  185    HG1  THR  27           HG1      THR  27  -9.892   4.742   2.289
  186   1HG2  THR  27          1HG2      THR  27  -9.163   5.074  -0.600
  187   2HG2  THR  27          2HG2      THR  27 -10.468   5.888   0.296
  188   3HG2  THR  27          3HG2      THR  27  -9.202   6.851  -0.504
  189    HA   PRO  28           HA       PRO  28  -4.711   4.560   4.149
  190   1HB   PRO  28          1HB       PRO  28  -5.430   5.915   6.411
  191   2HB   PRO  28          2HB       PRO  28  -4.211   6.495   5.293
  192   1HG   PRO  28          1HG       PRO  28  -6.987   7.441   5.663
  193   2HG   PRO  28          2HG       PRO  28  -5.645   8.254   4.883
  194   1HD   PRO  28          1HD       PRO  28  -7.844   6.943   3.590
  195   2HD   PRO  28          2HD       PRO  28  -6.444   7.654   2.812
  196    H    LYS  29           H        LYS  29  -7.058   3.276   3.261
  197    HA   LYS  29           HA       LYS  29  -7.325   1.416   5.304
  198   1HB   LYS  29          1HB       LYS  29  -8.589   3.510   6.247
  199   2HB   LYS  29          2HB       LYS  29  -9.857   3.031   5.137
  200   1HG   LYS  29          1HG       LYS  29  -8.706   0.802   6.753
  201   2HG   LYS  29          2HG       LYS  29  -9.555   2.019   7.684
  202   1HD   LYS  29          1HD       LYS  29 -11.015   1.266   5.229
  203   2HD   LYS  29          2HD       LYS  29 -10.733  -0.106   6.282
  204   1HE   LYS  29          1HE       LYS  29 -11.563   1.552   8.195
  205   2HE   LYS  29          2HE       LYS  29 -12.274   2.437   6.860
  206   1HZ   LYS  29          1HZ       LYS  29 -13.368   0.378   6.194
  207   2HZ   LYS  29          2HZ       LYS  29 -12.755  -0.391   7.497
  208   3HZ   LYS  29          3HZ       LYS  29 -13.809   0.840   7.697
  209    H    GLU  30           H        GLU  30  -8.906   3.128   2.556
  210    HA   GLU  30           HA       GLU  30 -10.223   0.775   1.705
  211   1HB   GLU  30          1HB       GLU  30 -11.150   2.991   1.208
  212   2HB   GLU  30          2HB       GLU  30  -9.708   3.441   0.320
  213   1HG   GLU  30          1HG       GLU  30 -10.328   2.263  -1.553
  214   2HG   GLU  30          2HG       GLU  30 -10.950   0.913  -0.625
  215    H    CYS  31           H        CYS  31  -7.160   2.468   0.928
  216    HA   CYS  31           HA       CYS  31  -6.604   0.846  -1.331
  217   1HB   CYS  31          1HB       CYS  31  -5.527   2.856  -1.472
  218   2HB   CYS  31          2HB       CYS  31  -5.166   2.925   0.242
  219    H    ASN  32           H        ASN  32  -6.207   0.656   2.180
  220    HA   ASN  32           HA       ASN  32  -4.321  -1.509   1.913
  221   1HB   ASN  32          1HB       ASN  32  -5.565  -0.540   4.521
  222   2HB   ASN  32          2HB       ASN  32  -4.004  -1.304   4.290
  223   2HD2  ASN  32          2HD2      ASN  32  -5.901   1.605   3.777
  224   1HD2  ASN  32          1HD2      ASN  32  -4.589   2.725   3.622
  225    H    ASN  33           H        ASN  33  -7.609  -1.109   1.614
  226    HA   ASN  33           HA       ASN  33  -8.294  -3.455   3.169
  227   1HB   ASN  33          1HB       ASN  33  -9.848  -1.625   3.494
  228   2HB   ASN  33          2HB       ASN  33  -9.929  -1.286   1.777
  229   2HD2  ASN  33          2HD2      ASN  33 -12.228  -1.408   2.112
  230   1HD2  ASN  33          1HD2      ASN  33 -13.046  -2.934   2.073
  231    H    ARG  34           H        ARG  34  -8.302  -2.025  -0.150
  232    HA   ARG  34           HA       ARG  34  -9.622  -4.040  -1.441
  233   1HB   ARG  34          1HB       ARG  34  -8.518  -1.665  -2.198
  234   2HB   ARG  34          2HB       ARG  34  -7.299  -2.742  -2.849
  235   1HG   ARG  34          1HG       ARG  34 -10.292  -2.984  -3.418
  236   2HG   ARG  34          2HG       ARG  34  -9.144  -2.203  -4.487
  237   1HD   ARG  34          1HD       ARG  34  -7.831  -4.516  -4.300
  238   2HD   ARG  34          2HD       ARG  34  -9.387  -5.143  -3.793
  239    HE   ARG  34           HE       ARG  34  -9.849  -3.592  -6.124
  240   1HH1  ARG  34          1HH1      ARG  34  -8.130  -6.527  -5.221
  241   2HH1  ARG  34          2HH1      ARG  34  -8.291  -7.255  -6.784
  242   1HH2  ARG  34          1HH2      ARG  34 -10.061  -4.552  -8.187
  243   2HH2  ARG  34          2HH2      ARG  34  -9.396  -6.124  -8.483
  244    H    GLY  35           H        GLY  35  -6.308  -3.842  -0.199
  245   1HA   GLY  35          1HA       GLY  35  -5.721  -6.480  -1.408
  246   2HA   GLY  35          2HA       GLY  35  -5.345  -6.068   0.253
  247    H    CYS  36           H        CYS  36  -3.851  -4.139   0.620
  248    HA   CYS  36           HA       CYS  36  -1.475  -4.496  -0.634
  249   1HB   CYS  36          1HB       CYS  36  -3.185  -3.167  -2.422
  250   2HB   CYS  36          2HB       CYS  36  -2.122  -1.924  -1.792
  251    H    CYS  37           H        CYS  37  -0.582  -1.681  -0.657
  252    HA   CYS  37           HA       CYS  37  -1.173  -0.989   2.130
  253   1HB   CYS  37          1HB       CYS  37   1.425  -1.227   0.687
  254   2HB   CYS  37          2HB       CYS  37   1.259   0.072   1.851
  255    H    PHE  38           H        PHE  38  -1.172   1.352   2.575
  256    HA   PHE  38           HA       PHE  38  -1.551   2.923   0.122
  257   1HB   PHE  38          1HB       PHE  38  -3.644   2.568   1.410
  258   2HB   PHE  38          2HB       PHE  38  -2.836   2.963   2.914
  259    HD1  PHE  38           HD1      PHE  38  -4.041   4.388  -0.277
  260    HD2  PHE  38           HD2      PHE  38  -2.653   5.208   3.648
  261    HE1  PHE  38           HE1      PHE  38  -4.744   6.785  -0.529
  262    HE2  PHE  38           HE2      PHE  38  -3.356   7.604   3.396
  263    HZ   PHE  38           HZ       PHE  38  -4.393   8.364   1.311
  264    H    ASP  39           H        ASP  39  -1.373   5.424   0.711
  265    HA   ASP  39           HA       ASP  39   0.226   6.185   2.821
  266   1HB   ASP  39          1HB       ASP  39   2.043   4.944   1.758
  267   2HB   ASP  39          2HB       ASP  39   1.694   5.664   0.199
  268    H    SER  40           H        SER  40   0.437   8.530   2.785
  269    HA   SER  40           HA       SER  40  -0.458   9.786   0.320
  270   1HB   SER  40          1HB       SER  40  -1.943  11.286   1.551
  271   2HB   SER  40          2HB       SER  40  -2.389   9.626   1.891
  272    HG   SER  40           HG       SER  40  -0.669  10.101   3.789
  273    H    ARG  41           H        ARG  41   2.130   9.324   2.058
  274    HA   ARG  41           HA       ARG  41   2.865  11.701   3.189
  275   1HB   ARG  41          1HB       ARG  41   4.035   9.238   2.870
  276   2HB   ARG  41          2HB       ARG  41   4.994  10.166   1.734
  277   1HG   ARG  41          1HG       ARG  41   4.579  11.565   4.314
  278   2HG   ARG  41          2HG       ARG  41   5.418  10.036   4.490
  279   1HD   ARG  41          1HD       ARG  41   6.636  11.206   2.231
  280   2HD   ARG  41          2HD       ARG  41   6.375  12.562   3.310
  281    HE   ARG  41           HE       ARG  41   7.518  10.189   4.620
  282   1HH1  ARG  41          1HH1      ARG  41   8.205  13.204   2.941
  283   2HH1  ARG  41          2HH1      ARG  41   9.804  13.350   3.592
  284   1HH2  ARG  41          1HH2      ARG  41   9.627  10.382   5.480
  285   2HH2  ARG  41          2HH2      ARG  41  10.618  11.734   5.046
  286    H    ILE  42           H        ILE  42   3.442  10.451  -0.176
  287    HA   ILE  42           HA       ILE  42   3.561  13.211  -1.087
  288    HB   ILE  42           HB       ILE  42   5.565  12.090  -2.563
  289   1HG1  ILE  42          1HG1      ILE  42   7.157  11.101  -0.944
  290   2HG1  ILE  42          2HG1      ILE  42   5.906  11.101   0.284
  291   1HG2  ILE  42          1HG2      ILE  42   5.404  13.978  -0.266
  292   2HG2  ILE  42          2HG2      ILE  42   7.018  13.412  -0.760
  293   3HG2  ILE  42          3HG2      ILE  42   5.966  14.237  -1.935
  294   1HD1  ILE  42          1HD1      ILE  42   5.038   9.857  -2.261
  295   2HD1  ILE  42          2HD1      ILE  42   6.400   9.021  -1.478
  296   3HD1  ILE  42          3HD1      ILE  42   4.876   9.262  -0.591
  297    HA   PRO  43           HA       PRO  43   1.119  11.350  -4.141
  298   1HB   PRO  43          1HB       PRO  43   0.834  13.487  -5.821
  299   2HB   PRO  43          2HB       PRO  43  -0.143  13.261  -4.384
  300   1HG   PRO  43          1HG       PRO  43   2.097  15.138  -4.826
  301   2HG   PRO  43          2HG       PRO  43   0.856  15.182  -3.590
  302   1HD   PRO  43          1HD       PRO  43   3.579  14.347  -3.257
  303   2HD   PRO  43          2HD       PRO  43   2.308  14.281  -2.053
  304    H    GLY  44           H        GLY  44   4.008  13.081  -5.075
  305   1HA   GLY  44          1HA       GLY  44   5.664  12.376  -6.456
  306   2HA   GLY  44          2HA       GLY  44   4.377  12.425  -7.644
  307    H    VAL  45           H        VAL  45   4.838  10.183  -4.831
  308    HA   VAL  45           HA       VAL  45   5.432   8.025  -6.680
  309    HB   VAL  45           HB       VAL  45   6.323   6.924  -4.897
  310   1HG1  VAL  45          1HG1      VAL  45   7.126   9.465  -5.154
  311   2HG1  VAL  45          2HG1      VAL  45   6.551   9.536  -3.471
  312   3HG1  VAL  45          3HG1      VAL  45   7.810   8.365  -3.932
  313   1HG2  VAL  45          1HG2      VAL  45   4.226   8.304  -3.221
  314   2HG2  VAL  45          2HG2      VAL  45   4.488   6.564  -3.486
  315   3HG2  VAL  45          3HG2      VAL  45   5.621   7.490  -2.473
  316    HA   PRO  46           HA       PRO  46   1.529   6.180  -6.401
  317   1HB   PRO  46          1HB       PRO  46   1.994   3.513  -6.028
  318   2HB   PRO  46          2HB       PRO  46   2.165   4.308  -7.581
  319   1HG   PRO  46          1HG       PRO  46   4.276   3.391  -5.726
  320   2HG   PRO  46          2HG       PRO  46   4.406   3.787  -7.428
  321   1HD   PRO  46          1HD       PRO  46   5.248   5.412  -5.218
  322   2HD   PRO  46          2HD       PRO  46   5.271   5.855  -6.914
  323    H    TRP  47           H        TRP  47   0.566   7.249  -4.681
  324    HA   TRP  47           HA       TRP  47   0.943   6.965  -2.090
  325   1HB   TRP  47          1HB       TRP  47  -1.520   7.257  -3.726
  326   2HB   TRP  47          2HB       TRP  47  -1.736   6.873  -2.030
  327    HD1  TRP  47           HD1      TRP  47   1.168   9.176  -3.087
  328    HE1  TRP  47           HE1      TRP  47   0.815  11.633  -2.192
  329    HE3  TRP  47           HE3      TRP  47  -3.560   8.433  -1.371
  330    HZ2  TRP  47           HZ2      TRP  47  -1.353  12.961  -0.895
  331    HZ3  TRP  47           HZ3      TRP  47  -4.725  10.362  -0.303
  332    HH2  TRP  47           HH2      TRP  47  -3.697  12.565  -0.053
  333    H    CYS  48           H        CYS  48  -1.014   4.638  -4.089
  334    HA   CYS  48           HA       CYS  48  -0.924   2.771  -1.870
  335   1HB   CYS  48          1HB       CYS  48  -3.018   3.339  -3.268
  336   2HB   CYS  48          2HB       CYS  48  -2.307   2.323  -4.506
  337    H    PHE  49           H        PHE  49   0.898   1.498  -1.780
  338    HA   PHE  49           HA       PHE  49   1.882   0.443  -4.331
  339   1HB   PHE  49          1HB       PHE  49   4.188   0.641  -3.108
  340   2HB   PHE  49          2HB       PHE  49   3.478   2.144  -3.664
  341    HD1  PHE  49           HD1      PHE  49   3.626  -0.032  -0.640
  342    HD2  PHE  49           HD2      PHE  49   3.248   3.906  -2.175
  343    HE1  PHE  49           HE1      PHE  49   3.752   0.889   1.692
  344    HE2  PHE  49           HE2      PHE  49   3.374   4.827   0.156
  345    HZ   PHE  49           HZ       PHE  49   3.625   3.308   2.062
  346    H    LYS  50           H        LYS  50   3.233  -1.578  -4.032
  347    HA   LYS  50           HA       LYS  50   1.825  -3.382  -2.389
  348   1HB   LYS  50          1HB       LYS  50   4.478  -3.804  -3.791
  349   2HB   LYS  50          2HB       LYS  50   3.356  -5.039  -3.259
  350   1HG   LYS  50          1HG       LYS  50   1.610  -3.793  -4.788
  351   2HG   LYS  50          2HG       LYS  50   3.012  -3.032  -5.512
  352   1HD   LYS  50          1HD       LYS  50   2.701  -4.936  -6.873
  353   2HD   LYS  50          2HD       LYS  50   3.960  -5.456  -5.771
  354   1HE   LYS  50          1HE       LYS  50   2.455  -6.779  -4.472
  355   2HE   LYS  50          2HE       LYS  50   1.041  -5.947  -5.088
  356   1HZ   LYS  50          1HZ       LYS  50   2.803  -7.564  -6.789
  357   2HZ   LYS  50          2HZ       LYS  50   1.467  -8.159  -6.063
  358   3HZ   LYS  50          3HZ       LYS  50   1.331  -6.969  -7.173
  359    HA   PRO  51           HA       PRO  51   4.159  -3.347   1.242
  360   1HB   PRO  51          1HB       PRO  51   4.321  -5.971   1.987
  361   2HB   PRO  51          2HB       PRO  51   2.886  -4.994   2.225
  362   1HG   PRO  51          1HG       PRO  51   3.379  -7.103   0.213
  363   2HG   PRO  51          2HG       PRO  51   1.852  -6.426   0.742
  364   1HD   PRO  51          1HD       PRO  51   3.229  -5.848  -1.706
  365   2HD   PRO  51          2HD       PRO  51   1.762  -5.086  -1.124
  366    H    LEU  52           H        LEU  52   6.183  -2.716   1.600
  367    HA   LEU  52           HA       LEU  52   8.241  -3.121   0.002
  368   1HB   LEU  52          1HB       LEU  52   8.511  -1.687   1.816
  369   2HB   LEU  52          2HB       LEU  52   8.119  -2.926   2.992
  370    HG   LEU  52           HG       LEU  52  10.629  -2.998   1.303
  371   1HD1  LEU  52          1HD1      LEU  52  10.108  -1.645   3.945
  372   2HD1  LEU  52          2HD1      LEU  52  11.728  -2.234   3.500
  373   3HD1  LEU  52          3HD1      LEU  52  10.918  -1.011   2.492
  374   1HD2  LEU  52          1HD2      LEU  52   9.400  -4.857   3.096
  375   2HD2  LEU  52          2HD2      LEU  52  10.925  -5.007   2.189
  376   3HD2  LEU  52          3HD2      LEU  52  10.924  -4.285   3.816
  377    H    GLN  53           H        GLN  53   9.918  -4.625  -0.389
  378    HA   GLN  53           HA       GLN  53   9.128  -7.261  -0.328
  379   1HB   GLN  53          1HB       GLN  53  11.518  -5.723  -1.108
  380   2HB   GLN  53          2HB       GLN  53  11.921  -7.332  -0.542
  381   1HG   GLN  53          1HG       GLN  53  11.458  -7.900  -2.726
  382   2HG   GLN  53          2HG       GLN  53   9.815  -7.987  -2.122
  383   2HE2  GLN  53          2HE2      GLN  53   9.003  -5.477  -1.827
  384   1HE2  GLN  53          1HE2      GLN  53   9.008  -4.596  -3.318
  385    H    GLU  54           H        GLU  54   8.459  -7.726   1.876
  386    HA   GLU  54           HA       GLU  54   9.860  -7.334   4.121
  387   1HB   GLU  54          1HB       GLU  54   8.491  -8.973   5.121
  388   2HB   GLU  54          2HB       GLU  54   7.552  -8.466   3.731
  389   1HG   GLU  54          1HG       GLU  54   8.659 -10.419   2.443
  390   2HG   GLU  54          2HG       GLU  54   9.254 -10.981   3.993
  391    H    ALA  55           H        ALA  55  11.915  -7.819   4.747
  392    HA   ALA  55           HA       ALA  55  13.005 -10.394   3.861
  393   1HB   ALA  55          1HB       ALA  55  14.870  -8.077   4.090
  394   2HB   ALA  55          2HB       ALA  55  14.874  -9.441   2.946
  395   3HB   ALA  55          3HB       ALA  55  13.767  -8.071   2.693
  396    H    GLU  56           H        GLU  56  13.936  -7.528   5.903
  397    HA   GLU  56           HA       GLU  56  15.375  -8.799   7.742
  398   1HB   GLU  56          1HB       GLU  56  13.948  -6.303   7.563
  399   2HB   GLU  56          2HB       GLU  56  13.707  -6.941   9.178
  400   1HG   GLU  56          1HG       GLU  56  16.481  -7.341   8.431
  401   2HG   GLU  56          2HG       GLU  56  16.053  -5.673   8.111
  402    H    CYS  57           H        CYS  57  15.068 -10.468   9.152
  403    HA   CYS  57           HA       CYS  57  12.422 -11.484   9.497
  404   1HB   CYS  57          1HB       CYS  57  13.523 -13.251  10.806
  405   2HB   CYS  57          2HB       CYS  57  14.201 -13.050   9.202
  406    H    THR  58           H        THR  58  11.643 -12.024  11.818
  407    HA   THR  58           HA       THR  58  11.269  -9.723  13.271
  408    HB   THR  58           HB       THR  58  11.152 -12.695  13.968
  409    HG1  THR  58           HG1      THR  58   9.718 -11.474  12.361
  410   1HG2  THR  58          1HG2      THR  58  10.015 -10.321  15.538
  411   2HG2  THR  58          2HG2      THR  58   9.740 -12.043  15.895
  412   3HG2  THR  58          3HG2      THR  58  11.364 -11.342  16.093
  413    H    PHE  59           H        PHE  59  11.956  -9.183  15.513
  414    HA   PHE  59           HA       PHE  59  13.563  -8.525  16.873
  415   1HB   PHE  59          1HB       PHE  59  13.559 -11.332  16.728
  416   2HB   PHE  59          2HB       PHE  59  15.243 -10.967  16.411
  417    HD1  PHE  59           HD1      PHE  59  12.586  -9.837  18.791
  418    HD2  PHE  59           HD2      PHE  59  16.630 -10.997  18.241
  419    HE1  PHE  59           HE1      PHE  59  12.994  -9.584  21.255
  420    HE2  PHE  59           HE2      PHE  59  17.038 -10.745  20.705
  421    HZ   PHE  59           HZ       PHE  59  15.215 -10.041  22.182

  No H/Q in entry =         421
  Start of MODEL    7
    1    H    GLU   1           H        GLU   1   8.153 -12.911  16.855
    2    HA   GLU   1           HA       GLU   1   6.771 -14.726  17.789
    3   1HB   GLU   1          1HB       GLU   1   8.386 -13.903  20.219
    4   2HB   GLU   1          2HB       GLU   1   6.795 -14.611  20.412
    5   1HG   GLU   1          1HG       GLU   1   8.317 -16.171  18.481
    6   2HG   GLU   1          2HG       GLU   1   9.264 -15.972  19.942
    7    H    GLU   2           H        GLU   2   6.112 -12.470  16.587
    8    HA   GLU   2           HA       GLU   2   4.060 -11.452  18.214
    9   1HB   GLU   2          1HB       GLU   2   6.577 -10.012  18.251
   10   2HB   GLU   2          2HB       GLU   2   5.365  -9.020  17.464
   11   1HG   GLU   2          1HG       GLU   2   4.026  -8.877  19.374
   12   2HG   GLU   2          2HG       GLU   2   4.542 -10.435  19.989
   13    H    TYR   3           H        TYR   3   6.185 -10.885  15.339
   14    HA   TYR   3           HA       TYR   3   5.718 -10.475  13.212
   15   1HB   TYR   3          1HB       TYR   3   4.128 -12.538  13.984
   16   2HB   TYR   3          2HB       TYR   3   2.846 -11.368  13.742
   17    HD1  TYR   3           HD1      TYR   3   5.981 -12.053  11.791
   18    HD2  TYR   3           HD2      TYR   3   1.705 -11.930  11.797
   19    HE1  TYR   3           HE1      TYR   3   5.956 -12.588   9.306
   20    HE2  TYR   3           HE2      TYR   3   1.693 -12.466   9.312
   21    HH   TYR   3           HH       TYR   3   4.585 -12.385   7.438
   22    H    VAL   4           H        VAL   4   3.790  -9.461  11.680
   23    HA   VAL   4           HA       VAL   4   2.582  -7.255  13.172
   24    HB   VAL   4           HB       VAL   4   4.882  -6.758  12.064
   25   1HG1  VAL   4          1HG1      VAL   4   4.155  -7.829   9.875
   26   2HG1  VAL   4          2HG1      VAL   4   3.125  -6.399   9.623
   27   3HG1  VAL   4          3HG1      VAL   4   4.890  -6.212   9.751
   28   1HG2  VAL   4          1HG2      VAL   4   2.496  -5.215  12.498
   29   2HG2  VAL   4          2HG2      VAL   4   4.198  -4.710  12.619
   30   3HG2  VAL   4          3HG2      VAL   4   3.344  -4.593  11.063
   31    H    GLY   5           H        GLY   5   1.481  -5.916  10.942
   32   1HA   GLY   5          1HA       GLY   5  -0.754  -7.571  10.396
   33   2HA   GLY   5          2HA       GLY   5   0.302  -7.509   8.999
   34    H    LEU   6           H        LEU   6  -0.012  -4.846  11.382
   35    HA   LEU   6           HA       LEU   6  -1.928  -3.406   9.871
   36   1HB   LEU   6          1HB       LEU   6  -1.732  -1.763  11.493
   37   2HB   LEU   6          2HB       LEU   6  -1.463  -3.267  12.351
   38    HG   LEU   6           HG       LEU   6   0.090  -1.697  13.204
   39   1HD1  LEU   6          1HD1      LEU   6   0.984  -3.954  12.848
   40   2HD1  LEU   6          2HD1      LEU   6   1.584  -3.463  11.245
   41   3HD1  LEU   6          3HD1      LEU   6   2.250  -2.711  12.714
   42   1HD2  LEU   6          1HD2      LEU   6  -0.123  -0.274  11.004
   43   2HD2  LEU   6          2HD2      LEU   6   1.323  -0.154  12.036
   44   3HD2  LEU   6          3HD2      LEU   6   1.366  -1.139  10.554
   45    H    SER   7           H        SER   7  -1.566  -1.348   8.741
   46    HA   SER   7           HA       SER   7   0.523  -1.612   6.914
   47   1HB   SER   7          1HB       SER   7  -0.263   0.625   6.087
   48   2HB   SER   7          2HB       SER   7  -1.558  -0.542   6.267
   49    HG   SER   7           HG       SER   7  -1.226   1.895   7.509
   50    H    ALA   8           H        ALA   8   2.662  -1.169   7.289
   51    HA   ALA   8           HA       ALA   8   3.581   1.292   8.133
   52   1HB   ALA   8          1HB       ALA   8   3.321  -0.772  10.345
   53   2HB   ALA   8          2HB       ALA   8   2.736   0.909  10.333
   54   3HB   ALA   8          3HB       ALA   8   4.482   0.576  10.419
   55    H    ASN   9           H        ASN   9   4.975  -1.640   9.595
   56    HA   ASN   9           HA       ASN   9   7.405  -1.369   8.525
   57   1HB   ASN   9          1HB       ASN   9   6.339  -3.170  10.193
   58   2HB   ASN   9          2HB       ASN   9   6.232  -4.162   8.752
   59   2HD2  ASN   9          2HD2      ASN   9   7.971  -3.881  11.339
   60   1HD2  ASN   9          1HD2      ASN   9   9.584  -4.183  10.786
   61    H    GLN  10           H        GLN  10   4.624  -3.315   7.209
   62    HA   GLN  10           HA       GLN  10   6.026  -4.161   4.940
   63   1HB   GLN  10          1HB       GLN  10   3.653  -4.713   4.108
   64   2HB   GLN  10          2HB       GLN  10   4.163  -5.482   5.598
   65   1HG   GLN  10          1HG       GLN  10   2.987  -2.911   6.243
   66   2HG   GLN  10          2HG       GLN  10   1.894  -3.772   5.179
   67   2HE2  GLN  10          2HE2      GLN  10   1.040  -5.762   5.778
   68   1HE2  GLN  10          1HE2      GLN  10   1.015  -6.322   7.416
   69    H    CYS  11           H        CYS  11   4.195  -1.247   5.774
   70    HA   CYS  11           HA       CYS  11   4.423  -0.377   2.988
   71   1HB   CYS  11          1HB       CYS  11   2.743   1.144   4.908
   72   2HB   CYS  11          2HB       CYS  11   2.526   0.862   3.192
   73    H    ALA  12           H        ALA  12   6.766  -0.432   4.528
   74    HA   ALA  12           HA       ALA  12   7.082   2.388   5.302
   75   1HB   ALA  12          1HB       ALA  12   9.208   0.822   6.342
   76   2HB   ALA  12          2HB       ALA  12   7.875   1.584   7.243
   77   3HB   ALA  12          3HB       ALA  12   7.711  -0.089   6.658
   78    H    VAL  13           H        VAL  13   7.150   2.102   2.655
   79    HA   VAL  13           HA       VAL  13   9.884   1.467   1.879
   80    HB   VAL  13           HB       VAL  13   7.962   2.427  -0.133
   81   1HG1  VAL  13          1HG1      VAL  13  10.197   0.552   0.126
   82   2HG1  VAL  13          2HG1      VAL  13   8.843  -0.110  -0.822
   83   3HG1  VAL  13          3HG1      VAL  13   9.596   1.430  -1.301
   84   1HG2  VAL  13          1HG2      VAL  13   7.322   0.108   1.666
   85   2HG2  VAL  13          2HG2      VAL  13   6.242   1.328   0.949
   86   3HG2  VAL  13          3HG2      VAL  13   6.900   0.019  -0.061
   87    HA   PRO  14           HA       PRO  14  11.001   5.636   1.689
   88   1HB   PRO  14          1HB       PRO  14  13.037   5.573  -0.133
   89   2HB   PRO  14          2HB       PRO  14  13.238   5.108   1.545
   90   1HG   PRO  14          1HG       PRO  14  13.064   3.382  -0.849
   91   2HG   PRO  14          2HG       PRO  14  13.678   2.990   0.745
   92   1HD   PRO  14          1HD       PRO  14  11.140   2.226  -0.352
   93   2HD   PRO  14          2HD       PRO  14  11.706   1.934   1.280
   94    H    ALA  15           H        ALA  15   9.227   4.225  -0.595
   95    HA   ALA  15           HA       ALA  15   7.793   5.221  -2.010
   96   1HB   ALA  15          1HB       ALA  15   8.773   7.443  -0.685
   97   2HB   ALA  15          2HB       ALA  15   7.504   7.464  -1.933
   98   3HB   ALA  15          3HB       ALA  15   9.197   7.788  -2.379
   99    H    LYS  16           H        LYS  16  11.303   5.299  -2.277
  100    HA   LYS  16           HA       LYS  16  11.181   5.474  -5.169
  101   1HB   LYS  16          1HB       LYS  16  13.601   5.554  -5.058
  102   2HB   LYS  16          2HB       LYS  16  12.909   6.719  -3.948
  103   1HG   LYS  16          1HG       LYS  16  14.599   5.675  -2.656
  104   2HG   LYS  16          2HG       LYS  16  13.134   4.871  -2.128
  105   1HD   LYS  16          1HD       LYS  16  13.781   2.852  -2.992
  106   2HD   LYS  16          2HD       LYS  16  14.358   3.567  -4.484
  107   1HE   LYS  16          1HE       LYS  16  16.511   3.990  -3.619
  108   2HE   LYS  16          2HE       LYS  16  15.952   4.037  -1.958
  109   1HZ   LYS  16          1HZ       LYS  16  15.398   1.589  -2.389
  110   2HZ   LYS  16          2HZ       LYS  16  16.444   1.709  -3.637
  111   3HZ   LYS  16          3HZ       LYS  16  16.953   2.005  -2.114
  112    H    ASP  17           H        ASP  17  10.335   3.150  -3.066
  113    HA   ASP  17           HA       ASP  17  11.456   1.090  -4.793
  114   1HB   ASP  17          1HB       ASP  17  11.832   1.416  -1.972
  115   2HB   ASP  17          2HB       ASP  17  10.741   0.059  -2.166
  116    H    ARG  18           H        ARG  18   8.837   2.742  -4.595
  117    HA   ARG  18           HA       ARG  18   6.907   0.922  -3.634
  118   1HB   ARG  18          1HB       ARG  18   6.385   3.249  -5.535
  119   2HB   ARG  18          2HB       ARG  18   5.285   2.570  -4.353
  120   1HG   ARG  18          1HG       ARG  18   7.920   3.707  -3.397
  121   2HG   ARG  18          2HG       ARG  18   6.635   4.815  -3.834
  122   1HD   ARG  18          1HD       ARG  18   5.309   2.902  -2.264
  123   2HD   ARG  18          2HD       ARG  18   6.864   3.054  -1.471
  124    HE   ARG  18           HE       ARG  18   5.483   5.585  -2.178
  125   1HH1  ARG  18          1HH1      ARG  18   6.324   3.236   0.304
  126   2HH1  ARG  18          2HH1      ARG  18   5.983   4.312   1.618
  127   1HH2  ARG  18          1HH2      ARG  18   5.033   7.004  -0.445
  128   2HH2  ARG  18          2HH2      ARG  18   5.244   6.470   1.189
  129    H    VAL  19           H        VAL  19   5.626  -0.557  -4.810
  130    HA   VAL  19           HA       VAL  19   6.530  -1.038  -7.540
  131    HB   VAL  19           HB       VAL  19   4.927  -2.687  -5.576
  132   1HG1  VAL  19          1HG1      VAL  19   5.580  -3.095  -8.471
  133   2HG1  VAL  19          2HG1      VAL  19   5.596  -4.506  -7.386
  134   3HG1  VAL  19          3HG1      VAL  19   4.117  -3.530  -7.554
  135   1HG2  VAL  19          1HG2      VAL  19   7.816  -2.526  -6.312
  136   2HG2  VAL  19          2HG2      VAL  19   7.048  -2.886  -4.747
  137   3HG2  VAL  19          3HG2      VAL  19   7.130  -4.141  -6.007
  138    H    ASP  20           H        ASP  20   4.218   0.794  -5.974
  139    HA   ASP  20           HA       ASP  20   2.281   1.626  -6.496
  140   1HB   ASP  20          1HB       ASP  20   3.336   2.629  -8.386
  141   2HB   ASP  20          2HB       ASP  20   3.475   1.102  -9.234
  142    H    CYS  21           H        CYS  21   0.667   0.189  -5.735
  143    HA   CYS  21           HA       CYS  21   0.194  -2.305  -6.962
  144   1HB   CYS  21          1HB       CYS  21  -0.386  -1.225  -4.542
  145   2HB   CYS  21          2HB       CYS  21  -1.952  -1.098  -5.319
  146    H    GLY  22           H        GLY  22  -0.785   1.013  -7.544
  147   1HA   GLY  22          1HA       GLY  22  -2.088   0.378  -9.967
  148   2HA   GLY  22          2HA       GLY  22  -2.039   1.936  -9.168
  149    H    TYR  23           H        TYR  23  -3.728   2.573  -7.720
  150    HA   TYR  23           HA       TYR  23  -6.139   0.943  -8.031
  151   1HB   TYR  23          1HB       TYR  23  -4.622   1.875  -5.570
  152   2HB   TYR  23          2HB       TYR  23  -6.370   1.958  -5.478
  153    HD1  TYR  23           HD1      TYR  23  -7.617  -0.285  -6.259
  154    HD2  TYR  23           HD2      TYR  23  -3.579  -0.076  -4.861
  155    HE1  TYR  23           HE1      TYR  23  -7.695  -2.751  -5.642
  156    HE2  TYR  23           HE2      TYR  23  -3.671  -2.541  -4.249
  157    HH   TYR  23           HH       TYR  23  -5.815  -4.610  -5.421
  158    HA   PRO  24           HA       PRO  24  -7.903   4.823  -8.784
  159   1HB   PRO  24          1HB       PRO  24 -10.554   4.259  -8.435
  160   2HB   PRO  24          2HB       PRO  24  -9.678   3.876  -9.903
  161   1HG   PRO  24          1HG       PRO  24 -10.559   2.059  -7.745
  162   2HG   PRO  24          2HG       PRO  24 -10.076   1.665  -9.382
  163   1HD   PRO  24          1HD       PRO  24  -8.513   1.321  -7.003
  164   2HD   PRO  24          2HD       PRO  24  -7.990   1.036  -8.651
  165    H    HIS  25           H        HIS  25 -10.103   3.646  -6.306
  166    HA   HIS  25           HA       HIS  25  -9.716   6.163  -4.947
  167   1HB   HIS  25          1HB       HIS  25 -11.639   5.551  -3.648
  168   2HB   HIS  25          2HB       HIS  25 -11.979   5.262  -5.342
  169    HD1  HIS  25           HD1      HIS  25 -13.765   3.785  -3.479
  170    HD2  HIS  25           HD2      HIS  25 -10.049   2.235  -4.655
  171    HE1  HIS  25           HE1      HIS  25 -13.896   1.263  -3.116
  172    HE2  HIS  25           HE2      HIS  25 -11.603   0.360  -3.908
  173    H    VAL  26           H        VAL  26  -7.516   5.910  -4.226
  174    HA   VAL  26           HA       VAL  26  -7.056   3.714  -2.366
  175    HB   VAL  26           HB       VAL  26  -4.714   4.547  -2.448
  176   1HG1  VAL  26          1HG1      VAL  26  -6.006   3.884  -5.116
  177   2HG1  VAL  26          2HG1      VAL  26  -4.266   3.770  -4.756
  178   3HG1  VAL  26          3HG1      VAL  26  -5.422   2.723  -3.898
  179   1HG2  VAL  26          1HG2      VAL  26  -5.552   6.924  -3.151
  180   2HG2  VAL  26          2HG2      VAL  26  -4.009   6.306  -3.789
  181   3HG2  VAL  26          3HG2      VAL  26  -5.472   6.262  -4.801
  182    H    THR  27           H        THR  27  -6.861   3.986  -0.164
  183    HA   THR  27           HA       THR  27  -6.604   6.666   0.906
  184    HB   THR  27           HB       THR  27  -8.738   6.771   1.908
  185    HG1  THR  27           HG1      THR  27  -9.914   4.710   2.219
  186   1HG2  THR  27          1HG2      THR  27  -9.160   5.054  -0.594
  187   2HG2  THR  27          2HG2      THR  27 -10.473   5.859   0.299
  188   3HG2  THR  27          3HG2      THR  27  -9.221   6.831  -0.512
  189    HA   PRO  28           HA       PRO  28  -4.702   4.580   4.143
  190   1HB   PRO  28          1HB       PRO  28  -5.420   5.935   6.405
  191   2HB   PRO  28          2HB       PRO  28  -4.205   6.517   5.283
  192   1HG   PRO  28          1HG       PRO  28  -6.983   7.457   5.659
  193   2HG   PRO  28          2HG       PRO  28  -5.645   8.272   4.874
  194   1HD   PRO  28          1HD       PRO  28  -7.844   6.954   3.588
  195   2HD   PRO  28          2HD       PRO  28  -6.447   7.668   2.806
  196    H    LYS  29           H        LYS  29  -7.032   3.276   3.260
  197    HA   LYS  29           HA       LYS  29  -7.296   1.426   5.311
  198   1HB   LYS  29          1HB       LYS  29  -8.576   3.522   6.236
  199   2HB   LYS  29          2HB       LYS  29  -9.840   3.017   5.132
  200   1HG   LYS  29          1HG       LYS  29  -8.924   0.651   6.475
  201   2HG   LYS  29          2HG       LYS  29  -9.123   1.883   7.705
  202   1HD   LYS  29          1HD       LYS  29 -11.398   2.202   6.078
  203   2HD   LYS  29          2HD       LYS  29 -11.174   0.465   6.133
  204   1HE   LYS  29          1HE       LYS  29 -11.327   0.401   8.527
  205   2HE   LYS  29          2HE       LYS  29 -11.060   2.126   8.679
  206   1HZ   LYS  29          1HZ       LYS  29 -13.360   1.250   7.148
  207   2HZ   LYS  29          2HZ       LYS  29 -13.434   1.115   8.774
  208   3HZ   LYS  29          3HZ       LYS  29 -13.181   2.575   8.086
  209    H    GLU  30           H        GLU  30  -8.943   3.118   2.582
  210    HA   GLU  30           HA       GLU  30 -10.228   0.757   1.732
  211   1HB   GLU  30          1HB       GLU  30 -11.165   2.958   1.213
  212   2HB   GLU  30          2HB       GLU  30  -9.716   3.423   0.344
  213   1HG   GLU  30          1HG       GLU  30 -10.397   2.367  -1.555
  214   2HG   GLU  30          2HG       GLU  30 -10.782   0.893  -0.689
  215    H    CYS  31           H        CYS  31  -7.198   2.494   0.869
  216    HA   CYS  31           HA       CYS  31  -6.630   0.858  -1.357
  217   1HB   CYS  31          1HB       CYS  31  -5.526   2.847  -1.495
  218   2HB   CYS  31          2HB       CYS  31  -5.197   2.928   0.225
  219    H    ASN  32           H        ASN  32  -6.138   0.696   2.163
  220    HA   ASN  32           HA       ASN  32  -4.316  -1.511   1.867
  221   1HB   ASN  32          1HB       ASN  32  -3.663  -0.986   4.009
  222   2HB   ASN  32          2HB       ASN  32  -4.576   0.491   3.774
  223   2HD2  ASN  32          2HD2      ASN  32  -4.086  -2.006   5.799
  224   1HD2  ASN  32          1HD2      ASN  32  -5.597  -2.081   6.642
  225    H    ASN  33           H        ASN  33  -7.583  -1.098   1.567
  226    HA   ASN  33           HA       ASN  33  -8.285  -3.417   3.161
  227   1HB   ASN  33          1HB       ASN  33  -9.819  -1.576   3.497
  228   2HB   ASN  33          2HB       ASN  33  -9.905  -1.230   1.781
  229   2HD2  ASN  33          2HD2      ASN  33 -10.881  -3.364   4.361
  230   1HD2  ASN  33          1HD2      ASN  33 -12.179  -4.169   3.544
  231    H    ARG  34           H        ARG  34  -8.268  -2.014  -0.164
  232    HA   ARG  34           HA       ARG  34  -9.637  -4.028  -1.428
  233   1HB   ARG  34          1HB       ARG  34  -8.555  -1.659  -2.215
  234   2HB   ARG  34          2HB       ARG  34  -7.329  -2.729  -2.865
  235   1HG   ARG  34          1HG       ARG  34 -10.321  -3.008  -3.416
  236   2HG   ARG  34          2HG       ARG  34  -9.189  -2.217  -4.495
  237   1HD   ARG  34          1HD       ARG  34  -7.852  -4.536  -4.254
  238   2HD   ARG  34          2HD       ARG  34  -9.436  -5.152  -3.823
  239    HE   ARG  34           HE       ARG  34  -9.706  -3.548  -6.178
  240   1HH1  ARG  34          1HH1      ARG  34  -8.323  -6.617  -5.152
  241   2HH1  ARG  34          2HH1      ARG  34  -8.481  -7.355  -6.711
  242   1HH2  ARG  34          1HH2      ARG  34  -9.915  -4.522  -8.235
  243   2HH2  ARG  34          2HH2      ARG  34  -9.393  -6.155  -8.476
  244    H    GLY  35           H        GLY  35  -6.317  -3.839  -0.212
  245   1HA   GLY  35          1HA       GLY  35  -5.734  -6.468  -1.443
  246   2HA   GLY  35          2HA       GLY  35  -5.365  -6.078   0.225
  247    H    CYS  36           H        CYS  36  -3.881  -4.138   0.617
  248    HA   CYS  36           HA       CYS  36  -1.493  -4.487  -0.613
  249   1HB   CYS  36          1HB       CYS  36  -3.190  -3.147  -2.411
  250   2HB   CYS  36          2HB       CYS  36  -2.120  -1.915  -1.773
  251    H    CYS  37           H        CYS  37  -0.595  -1.677  -0.618
  252    HA   CYS  37           HA       CYS  37  -1.223  -0.986   2.160
  253   1HB   CYS  37          1HB       CYS  37   1.397  -1.214   0.751
  254   2HB   CYS  37          2HB       CYS  37   1.211   0.066   1.934
  255    H    PHE  38           H        PHE  38  -1.246   1.350   2.605
  256    HA   PHE  38           HA       PHE  38  -1.591   2.921   0.148
  257   1HB   PHE  38          1HB       PHE  38  -3.688   2.585   1.429
  258   2HB   PHE  38          2HB       PHE  38  -2.882   2.971   2.936
  259    HD1  PHE  38           HD1      PHE  38  -4.095   4.405  -0.244
  260    HD2  PHE  38           HD2      PHE  38  -2.657   5.219   3.664
  261    HE1  PHE  38           HE1      PHE  38  -4.779   6.807  -0.493
  262    HE2  PHE  38           HE2      PHE  38  -3.341   7.621   3.416
  263    HZ   PHE  38           HZ       PHE  38  -4.394   8.386   1.340
  264    H    ASP  39           H        ASP  39  -1.392   5.420   0.719
  265    HA   ASP  39           HA       ASP  39   0.187   6.195   2.832
  266   1HB   ASP  39          1HB       ASP  39   1.981   4.876   1.763
  267   2HB   ASP  39          2HB       ASP  39   1.707   5.686   0.233
  268    H    SER  40           H        SER  40   0.425   8.537   2.762
  269    HA   SER  40           HA       SER  40  -0.411   9.761   0.261
  270   1HB   SER  40          1HB       SER  40  -1.905  11.294   1.435
  271   2HB   SER  40          2HB       SER  40  -2.370   9.645   1.806
  272    HG   SER  40           HG       SER  40  -0.484  10.627   3.606
  273    H    ARG  41           H        ARG  41   2.153   9.298   2.007
  274    HA   ARG  41           HA       ARG  41   2.906  11.658   3.151
  275   1HB   ARG  41          1HB       ARG  41   4.063   9.211   2.853
  276   2HB   ARG  41          2HB       ARG  41   4.991  10.085   1.650
  277   1HG   ARG  41          1HG       ARG  41   4.703  11.589   4.182
  278   2HG   ARG  41          2HG       ARG  41   5.504  10.045   4.400
  279   1HD   ARG  41          1HD       ARG  41   7.390  11.176   3.751
  280   2HD   ARG  41          2HD       ARG  41   6.776  10.940   2.126
  281    HE   ARG  41           HE       ARG  41   5.631  13.311   3.362
  282   1HH1  ARG  41          1HH1      ARG  41   8.487  12.088   1.711
  283   2HH1  ARG  41          2HH1      ARG  41   8.973  13.645   1.127
  284   1HH2  ARG  41          1HH2      ARG  41   6.271  15.365   2.592
  285   2HH2  ARG  41          2HH2      ARG  41   7.704  15.521   1.632
  286    H    ILE  42           H        ILE  42   3.432  10.453  -0.237
  287    HA   ILE  42           HA       ILE  42   3.548  13.217  -1.119
  288    HB   ILE  42           HB       ILE  42   5.572  12.147  -2.598
  289   1HG1  ILE  42          1HG1      ILE  42   7.169  11.142  -0.997
  290   2HG1  ILE  42          2HG1      ILE  42   5.919  11.111   0.231
  291   1HG2  ILE  42          1HG2      ILE  42   5.364  14.397  -1.498
  292   2HG2  ILE  42          2HG2      ILE  42   5.971  13.648  -0.001
  293   3HG2  ILE  42          3HG2      ILE  42   6.993  13.681  -1.458
  294   1HD1  ILE  42          1HD1      ILE  42   5.080   9.899  -2.344
  295   2HD1  ILE  42          2HD1      ILE  42   6.429   9.057  -1.544
  296   3HD1  ILE  42          3HD1      ILE  42   4.887   9.288  -0.684
  297    HA   PRO  43           HA       PRO  43   1.146  11.355  -4.203
  298   1HB   PRO  43          1HB       PRO  43   0.858  13.497  -5.876
  299   2HB   PRO  43          2HB       PRO  43  -0.128  13.258  -4.447
  300   1HG   PRO  43          1HG       PRO  43   2.102  15.154  -4.865
  301   2HG   PRO  43          2HG       PRO  43   0.852  15.183  -3.638
  302   1HD   PRO  43          1HD       PRO  43   3.579  14.365  -3.290
  303   2HD   PRO  43          2HD       PRO  43   2.300  14.286  -2.094
  304    H    GLY  44           H        GLY  44   4.001  13.149  -5.148
  305   1HA   GLY  44          1HA       GLY  44   5.668  12.496  -6.537
  306   2HA   GLY  44          2HA       GLY  44   4.371  12.449  -7.714
  307    H    VAL  45           H        VAL  45   4.529  10.270  -4.874
  308    HA   VAL  45           HA       VAL  45   5.366   8.096  -6.646
  309    HB   VAL  45           HB       VAL  45   6.318   7.103  -4.852
  310   1HG1  VAL  45          1HG1      VAL  45   6.197  10.004  -3.961
  311   2HG1  VAL  45          2HG1      VAL  45   7.317   8.783  -3.311
  312   3HG1  VAL  45          3HG1      VAL  45   7.415   9.258  -5.024
  313   1HG2  VAL  45          1HG2      VAL  45   4.132   8.349  -3.170
  314   2HG2  VAL  45          2HG2      VAL  45   4.416   6.629  -3.526
  315   3HG2  VAL  45          3HG2      VAL  45   5.531   7.512  -2.456
  316    HA   PRO  46           HA       PRO  46   1.501   6.176  -6.360
  317   1HB   PRO  46          1HB       PRO  46   2.032   3.523  -5.975
  318   2HB   PRO  46          2HB       PRO  46   2.179   4.314  -7.532
  319   1HG   PRO  46          1HG       PRO  46   4.317   3.460  -5.677
  320   2HG   PRO  46          2HG       PRO  46   4.434   3.850  -7.381
  321   1HD   PRO  46          1HD       PRO  46   5.239   5.506  -5.182
  322   2HD   PRO  46          2HD       PRO  46   5.248   5.941  -6.880
  323    H    TRP  47           H        TRP  47   0.563   7.265  -4.622
  324    HA   TRP  47           HA       TRP  47   0.950   6.966  -2.035
  325   1HB   TRP  47          1HB       TRP  47  -1.537   7.243  -3.647
  326   2HB   TRP  47          2HB       TRP  47  -1.716   6.897  -1.939
  327    HD1  TRP  47           HD1      TRP  47   1.173   9.168  -3.094
  328    HE1  TRP  47           HE1      TRP  47   0.840  11.646  -2.250
  329    HE3  TRP  47           HE3      TRP  47  -3.533   8.480  -1.297
  330    HZ2  TRP  47           HZ2      TRP  47  -1.307  13.010  -0.955
  331    HZ3  TRP  47           HZ3      TRP  47  -4.678  10.435  -0.258
  332    HH2  TRP  47           HH2      TRP  47  -3.640  12.641  -0.072
  333    H    CYS  48           H        CYS  48  -1.012   4.650  -4.040
  334    HA   CYS  48           HA       CYS  48  -0.927   2.774  -1.829
  335   1HB   CYS  48          1HB       CYS  48  -3.016   3.343  -3.227
  336   2HB   CYS  48          2HB       CYS  48  -2.300   2.342  -4.474
  337    H    PHE  49           H        PHE  49   0.872   1.472  -1.734
  338    HA   PHE  49           HA       PHE  49   1.869   0.426  -4.282
  339   1HB   PHE  49          1HB       PHE  49   4.177   0.639  -3.071
  340   2HB   PHE  49          2HB       PHE  49   3.460   2.138  -3.627
  341    HD1  PHE  49           HD1      PHE  49   3.616  -0.031  -0.597
  342    HD2  PHE  49           HD2      PHE  49   3.245   3.904  -2.142
  343    HE1  PHE  49           HE1      PHE  49   3.750   0.896   1.732
  344    HE2  PHE  49           HE2      PHE  49   3.379   4.831   0.186
  345    HZ   PHE  49           HZ       PHE  49   3.630   3.316   2.096
  346    H    LYS  50           H        LYS  50   3.204  -1.597  -3.987
  347    HA   LYS  50           HA       LYS  50   1.811  -3.397  -2.337
  348   1HB   LYS  50          1HB       LYS  50   4.478  -3.802  -3.720
  349   2HB   LYS  50          2HB       LYS  50   3.370  -5.047  -3.181
  350   1HG   LYS  50          1HG       LYS  50   1.608  -3.893  -4.727
  351   2HG   LYS  50          2HG       LYS  50   2.966  -3.034  -5.427
  352   1HD   LYS  50          1HD       LYS  50   2.860  -4.902  -6.832
  353   2HD   LYS  50          2HD       LYS  50   4.044  -5.442  -5.659
  354   1HE   LYS  50          1HE       LYS  50   2.493  -6.853  -4.540
  355   2HE   LYS  50          2HE       LYS  50   1.102  -5.990  -5.166
  356   1HZ   LYS  50          1HZ       LYS  50   1.776  -6.804  -7.388
  357   2HZ   LYS  50          2HZ       LYS  50   2.905  -7.746  -6.676
  358   3HZ   LYS  50          3HZ       LYS  50   1.321  -7.987  -6.359
  359    HA   PRO  51           HA       PRO  51   4.093  -3.286   1.324
  360   1HB   PRO  51          1HB       PRO  51   4.150  -5.890   2.150
  361   2HB   PRO  51          2HB       PRO  51   2.749  -4.854   2.342
  362   1HG   PRO  51          1HG       PRO  51   3.185  -7.041   0.401
  363   2HG   PRO  51          2HG       PRO  51   1.678  -6.292   0.891
  364   1HD   PRO  51          1HD       PRO  51   3.102  -5.840  -1.558
  365   2HD   PRO  51          2HD       PRO  51   1.658  -5.008  -1.016
  366    H    LEU  52           H        LEU  52   6.130  -2.625   1.513
  367    HA   LEU  52           HA       LEU  52   8.171  -3.265  -0.024
  368   1HB   LEU  52          1HB       LEU  52   8.333  -1.638   1.718
  369   2HB   LEU  52          2HB       LEU  52   8.187  -2.861   2.965
  370    HG   LEU  52           HG       LEU  52  10.515  -2.608   1.040
  371   1HD1  LEU  52          1HD1      LEU  52  10.265  -0.736   2.706
  372   2HD1  LEU  52          2HD1      LEU  52  10.483  -1.947   3.992
  373   3HD1  LEU  52          3HD1      LEU  52  11.784  -1.658   2.812
  374   1HD2  LEU  52          1HD2      LEU  52   9.725  -4.668   3.000
  375   2HD2  LEU  52          2HD2      LEU  52  10.790  -4.772   1.577
  376   3HD2  LEU  52          3HD2      LEU  52  11.415  -4.121   3.112
  377    H    GLN  53           H        GLN  53   9.474  -4.967  -0.553
  378    HA   GLN  53           HA       GLN  53   8.674  -7.507   0.226
  379   1HB   GLN  53          1HB       GLN  53  10.762  -8.246  -0.982
  380   2HB   GLN  53          2HB       GLN  53   9.746  -7.166  -1.916
  381   1HG   GLN  53          1HG       GLN  53  11.684  -5.670  -0.285
  382   2HG   GLN  53          2HG       GLN  53  12.488  -6.819  -1.337
  383   2HE2  GLN  53          2HE2      GLN  53  11.028  -3.808  -1.078
  384   1HE2  GLN  53          1HE2      GLN  53  10.916  -3.375  -2.751
  385    H    GLU  54           H        GLU  54   8.683  -7.307   2.616
  386    HA   GLU  54           HA       GLU  54  10.813  -6.672   4.139
  387   1HB   GLU  54          1HB       GLU  54   9.682  -7.717   5.916
  388   2HB   GLU  54          2HB       GLU  54   8.388  -7.389   4.781
  389   1HG   GLU  54          1HG       GLU  54   8.745  -9.760   3.853
  390   2HG   GLU  54          2HG       GLU  54   9.824 -10.047   5.204
  391    H    ALA  55           H        ALA  55  12.884  -7.415   4.230
  392    HA   ALA  55           HA       ALA  55  13.369 -10.245   4.233
  393   1HB   ALA  55          1HB       ALA  55  13.591 -10.312   1.964
  394   2HB   ALA  55          2HB       ALA  55  15.188  -9.605   2.310
  395   3HB   ALA  55          3HB       ALA  55  13.834  -8.553   1.831
  396    H    GLU  56           H        GLU  56  14.381 -10.122   6.216
  397    HA   GLU  56           HA       GLU  56  15.869  -9.630   7.719
  398   1HB   GLU  56          1HB       GLU  56  17.336 -10.326   5.639
  399   2HB   GLU  56          2HB       GLU  56  17.797  -8.636   5.606
  400   1HG   GLU  56          1HG       GLU  56  18.482  -8.810   8.033
  401   2HG   GLU  56          2HG       GLU  56  18.100 -10.521   7.991
  402    H    CYS  57           H        CYS  57  14.747  -7.905   8.738
  403    HA   CYS  57           HA       CYS  57  16.076  -5.385   8.495
  404   1HB   CYS  57          1HB       CYS  57  14.460  -5.155   6.689
  405   2HB   CYS  57          2HB       CYS  57  13.148  -5.590   7.766
  406    H    THR  58           H        THR  58  12.874  -6.741   9.601
  407    HA   THR  58           HA       THR  58  12.697  -5.410  11.981
  408    HB   THR  58           HB       THR  58  10.829  -6.684  11.162
  409    HG1  THR  58           HG1      THR  58  10.432  -7.561  13.181
  410   1HG2  THR  58          1HG2      THR  58  12.769  -8.583  10.353
  411   2HG2  THR  58          2HG2      THR  58  11.858  -9.395  11.649
  412   3HG2  THR  58          3HG2      THR  58  11.003  -8.764  10.221
  413    H    PHE  59           H        PHE  59  14.543  -8.414  11.270
  414    HA   PHE  59           HA       PHE  59  15.808  -8.032  13.891
  415   1HB   PHE  59          1HB       PHE  59  14.148 -10.069  13.380
  416   2HB   PHE  59          2HB       PHE  59  15.471 -10.691  12.414
  417    HD1  PHE  59           HD1      PHE  59  17.758 -10.946  13.616
  418    HD2  PHE  59           HD2      PHE  59  14.062 -10.531  15.659
  419    HE1  PHE  59           HE1      PHE  59  18.780 -11.962  15.672
  420    HE2  PHE  59           HE2      PHE  59  15.083 -11.547  17.714
  421    HZ   PHE  59           HZ       PHE  59  17.430 -12.251  17.696

  No H/Q in entry =         421
  Start of MODEL    8
    1    H    GLU   1           H        GLU   1  11.897 -14.968  12.514
    2    HA   GLU   1           HA       GLU   1  10.752 -16.882  13.706
    3   1HB   GLU   1          1HB       GLU   1  13.445 -16.941  14.794
    4   2HB   GLU   1          2HB       GLU   1  12.303 -16.654  16.092
    5   1HG   GLU   1          1HG       GLU   1  11.084 -18.667  15.625
    6   2HG   GLU   1          2HG       GLU   1  11.801 -18.837  14.035
    7    H    GLU   2           H        GLU   2  10.224 -14.252  13.072
    8    HA   GLU   2           HA       GLU   2   8.766 -13.401  15.208
    9   1HB   GLU   2          1HB       GLU   2  11.427 -12.824  15.749
   10   2HB   GLU   2          2HB       GLU   2  10.870 -11.320  15.044
   11   1HG   GLU   2          1HG       GLU   2   9.560 -10.819  16.850
   12   2HG   GLU   2          2HG       GLU   2   8.922 -12.447  16.957
   13    H    TYR   3           H        TYR   3   7.539 -13.442  13.108
   14    HA   TYR   3           HA       TYR   3   7.719 -10.804  11.854
   15   1HB   TYR   3          1HB       TYR   3   8.859 -12.366  10.330
   16   2HB   TYR   3          2HB       TYR   3   7.678 -13.623  10.639
   17    HD1  TYR   3           HD1      TYR   3   8.108 -10.287   9.030
   18    HD2  TYR   3           HD2      TYR   3   5.765 -13.859   9.267
   19    HE1  TYR   3           HE1      TYR   3   6.795  -9.571   6.974
   20    HE2  TYR   3           HE2      TYR   3   4.460 -13.131   7.210
   21    HH   TYR   3           HH       TYR   3   5.502 -10.554   5.235
   22    H    VAL   4           H        VAL   4   5.773  -9.809  11.973
   23    HA   VAL   4           HA       VAL   4   3.391 -11.052  11.225
   24    HB   VAL   4           HB       VAL   4   3.589 -12.316  13.262
   25   1HG1  VAL   4          1HG1      VAL   4   5.114 -10.777  14.465
   26   2HG1  VAL   4          2HG1      VAL   4   3.748  -9.670  14.744
   27   3HG1  VAL   4          3HG1      VAL   4   3.737 -11.297  15.466
   28   1HG2  VAL   4          1HG2      VAL   4   1.448 -10.371  12.814
   29   2HG2  VAL   4          2HG2      VAL   4   1.358 -12.104  13.212
   30   3HG2  VAL   4          3HG2      VAL   4   1.556 -10.901  14.509
   31    H    GLY   5           H        GLY   5   4.125  -8.904  10.109
   32   1HA   GLY   5          1HA       GLY   5   4.319  -6.473  10.658
   33   2HA   GLY   5          2HA       GLY   5   2.844  -6.680  11.581
   34    H    LEU   6           H        LEU   6   0.937  -6.249  10.554
   35    HA   LEU   6           HA       LEU   6   0.999  -6.324   7.617
   36   1HB   LEU   6          1HB       LEU   6  -1.467  -6.848   7.818
   37   2HB   LEU   6          2HB       LEU   6  -0.333  -8.134   8.178
   38    HG   LEU   6           HG       LEU   6  -1.317  -6.497  10.472
   39   1HD1  LEU   6          1HD1      LEU   6  -3.172  -7.510   8.652
   40   2HD1  LEU   6          2HD1      LEU   6  -3.116  -8.717   9.959
   41   3HD1  LEU   6          3HD1      LEU   6  -3.474  -7.015  10.335
   42   1HD2  LEU   6          1HD2      LEU   6   0.085  -8.954  10.064
   43   2HD2  LEU   6          2HD2      LEU   6  -0.294  -8.115  11.587
   44   3HD2  LEU   6          3HD2      LEU   6  -1.439  -9.300  10.914
   45    H    SER   7           H        SER   7   1.894  -4.057   8.891
   46    HA   SER   7           HA       SER   7   0.297  -2.131   7.832
   47   1HB   SER   7          1HB       SER   7  -0.539  -1.038  10.022
   48   2HB   SER   7          2HB       SER   7  -1.440  -2.413   9.416
   49    HG   SER   7           HG       SER   7  -1.072  -2.671  11.669
   50    H    ALA   8           H        ALA   8   1.768  -0.506   7.475
   51    HA   ALA   8           HA       ALA   8   3.328   1.033   7.957
   52   1HB   ALA   8          1HB       ALA   8   3.937   1.506  10.119
   53   2HB   ALA   8          2HB       ALA   8   4.188  -0.205  10.538
   54   3HB   ALA   8          3HB       ALA   8   2.539   0.462  10.470
   55    H    ASN   9           H        ASN   9   4.465  -2.036   9.549
   56    HA   ASN   9           HA       ASN   9   7.005  -1.905   8.615
   57   1HB   ASN   9          1HB       ASN   9   6.254  -3.553  10.306
   58   2HB   ASN   9          2HB       ASN   9   5.252  -4.366   9.120
   59   2HD2  ASN   9          2HD2      ASN   9   6.581  -6.180   9.969
   60   1HD2  ASN   9          1HD2      ASN   9   8.069  -6.560   9.170
   61    H    GLN  10           H        GLN  10   4.001  -3.158   7.082
   62    HA   GLN  10           HA       GLN  10   5.395  -4.282   4.879
   63   1HB   GLN  10          1HB       GLN  10   2.957  -4.396   3.950
   64   2HB   GLN  10          2HB       GLN  10   3.368  -5.377   5.342
   65   1HG   GLN  10          1HG       GLN  10   2.197  -3.989   6.847
   66   2HG   GLN  10          2HG       GLN  10   2.318  -2.581   5.810
   67   2HE2  GLN  10          2HE2      GLN  10   1.412  -5.838   4.810
   68   1HE2  GLN  10          1HE2      GLN  10  -0.228  -5.501   4.365
   69    H    CYS  11           H        CYS  11   3.690  -1.224   5.638
   70    HA   CYS  11           HA       CYS  11   4.292  -0.303   2.930
   71   1HB   CYS  11          1HB       CYS  11   2.648   1.403   4.689
   72   2HB   CYS  11          2HB       CYS  11   2.473   1.026   2.986
   73    H    ALA  12           H        ALA  12   6.460  -0.640   4.723
   74    HA   ALA  12           HA       ALA  12   6.943   2.043   5.787
   75   1HB   ALA  12          1HB       ALA  12   9.078   0.311   6.427
   76   2HB   ALA  12          2HB       ALA  12   7.761   0.841   7.502
   77   3HB   ALA  12          3HB       ALA  12   7.604  -0.674   6.582
   78    H    VAL  13           H        VAL  13   6.843   1.795   2.957
   79    HA   VAL  13           HA       VAL  13   9.628   1.604   2.133
   80    HB   VAL  13           HB       VAL  13   7.638   2.366   0.135
   81   1HG1  VAL  13          1HG1      VAL  13  10.018   0.722   0.413
   82   2HG1  VAL  13          2HG1      VAL  13   8.734  -0.145  -0.462
   83   3HG1  VAL  13          3HG1      VAL  13   9.295   1.441  -1.046
   84   1HG2  VAL  13          1HG2      VAL  13   7.145  -0.027   1.894
   85   2HG2  VAL  13          2HG2      VAL  13   5.988   1.157   1.239
   86   3HG2  VAL  13          3HG2      VAL  13   6.705  -0.073   0.170
   87    HA   PRO  14           HA       PRO  14  10.140   5.893   2.074
   88   1HB   PRO  14          1HB       PRO  14  12.097   6.193   0.190
   89   2HB   PRO  14          2HB       PRO  14  12.422   5.696   1.838
   90   1HG   PRO  14          1HG       PRO  14  12.406   4.058  -0.623
   91   2HG   PRO  14          2HG       PRO  14  13.127   3.695   0.932
   92   1HD   PRO  14          1HD       PRO  14  10.684   2.621  -0.120
   93   2HD   PRO  14          2HD       PRO  14  11.345   2.349   1.480
   94    H    ALA  15           H        ALA  15  10.287   4.796  -1.289
   95    HA   ALA  15           HA       ALA  15   7.944   5.695  -2.186
   96   1HB   ALA  15          1HB       ALA  15   9.602   7.971  -1.365
   97   2HB   ALA  15          2HB       ALA  15   7.874   7.915  -1.787
   98   3HB   ALA  15          3HB       ALA  15   9.098   8.075  -3.069
   99    H    LYS  16           H        LYS  16  11.423   5.376  -2.530
  100    HA   LYS  16           HA       LYS  16  11.206   5.286  -5.430
  101   1HB   LYS  16          1HB       LYS  16  13.626   5.237  -5.417
  102   2HB   LYS  16          2HB       LYS  16  13.052   6.552  -4.411
  103   1HG   LYS  16          1HG       LYS  16  14.563   5.661  -2.913
  104   2HG   LYS  16          2HG       LYS  16  13.198   4.644  -2.496
  105   1HD   LYS  16          1HD       LYS  16  14.571   2.884  -2.956
  106   2HD   LYS  16          2HD       LYS  16  14.284   3.258  -4.643
  107   1HE   LYS  16          1HE       LYS  16  16.366   4.244  -4.933
  108   2HE   LYS  16          2HE       LYS  16  16.418   4.877  -3.300
  109   1HZ   LYS  16          1HZ       LYS  16  16.706   2.524  -2.580
  110   2HZ   LYS  16          2HZ       LYS  16  16.930   2.118  -4.146
  111   3HZ   LYS  16          3HZ       LYS  16  17.963   3.149  -3.414
  112    H    ASP  17           H        ASP  17  10.344   3.271  -3.020
  113    HA   ASP  17           HA       ASP  17  11.370   0.955  -4.467
  114   1HB   ASP  17          1HB       ASP  17  11.306   1.607  -1.607
  115   2HB   ASP  17          2HB       ASP  17  10.453   0.108  -1.919
  116    H    ARG  18           H        ARG  18   8.793   2.872  -4.382
  117    HA   ARG  18           HA       ARG  18   6.747   1.096  -3.581
  118   1HB   ARG  18          1HB       ARG  18   6.393   3.537  -5.374
  119   2HB   ARG  18          2HB       ARG  18   5.229   2.853  -4.257
  120   1HG   ARG  18          1HG       ARG  18   7.871   4.161  -3.452
  121   2HG   ARG  18          2HG       ARG  18   6.299   4.929  -3.357
  122   1HD   ARG  18          1HD       ARG  18   5.570   2.968  -1.841
  123   2HD   ARG  18          2HD       ARG  18   7.257   2.496  -1.785
  124    HE   ARG  18           HE       ARG  18   7.608   4.208  -0.248
  125   1HH1  ARG  18          1HH1      ARG  18   4.824   5.051  -2.227
  126   2HH1  ARG  18          2HH1      ARG  18   4.490   6.514  -1.361
  127   1HH2  ARG  18          1HH2      ARG  18   7.169   6.138   0.894
  128   2HH2  ARG  18          2HH2      ARG  18   5.833   7.136   0.426
  129    H    VAL  19           H        VAL  19   5.959  -0.596  -4.795
  130    HA   VAL  19           HA       VAL  19   6.723  -0.755  -7.577
  131    HB   VAL  19           HB       VAL  19   5.009  -2.738  -6.121
  132   1HG1  VAL  19          1HG1      VAL  19   7.056  -2.825  -8.342
  133   2HG1  VAL  19          2HG1      VAL  19   6.560  -4.294  -7.467
  134   3HG1  VAL  19          3HG1      VAL  19   5.353  -3.343  -8.365
  135   1HG2  VAL  19          1HG2      VAL  19   7.776  -1.947  -5.422
  136   2HG2  VAL  19          2HG2      VAL  19   6.534  -2.773  -4.450
  137   3HG2  VAL  19          3HG2      VAL  19   7.507  -3.695  -5.622
  138    H    ASP  20           H        ASP  20   4.221   0.662  -5.784
  139    HA   ASP  20           HA       ASP  20   2.282   1.483  -6.294
  140   1HB   ASP  20          1HB       ASP  20   3.190   2.562  -8.215
  141   2HB   ASP  20          2HB       ASP  20   3.399   1.052  -9.079
  142    H    CYS  21           H        CYS  21   0.398   0.333  -5.846
  143    HA   CYS  21           HA       CYS  21   0.144  -2.333  -6.893
  144   1HB   CYS  21          1HB       CYS  21  -0.455  -1.311  -4.496
  145   2HB   CYS  21          2HB       CYS  21  -2.010  -1.072  -5.268
  146    H    GLY  22           H        GLY  22  -1.004   0.953  -7.475
  147   1HA   GLY  22          1HA       GLY  22  -2.260   0.196  -9.921
  148   2HA   GLY  22          2HA       GLY  22  -2.194   1.793  -9.201
  149    H    TYR  23           H        TYR  23  -3.840   2.479  -7.695
  150    HA   TYR  23           HA       TYR  23  -6.289   0.903  -7.973
  151   1HB   TYR  23          1HB       TYR  23  -4.712   1.768  -5.530
  152   2HB   TYR  23          2HB       TYR  23  -6.453   1.921  -5.409
  153    HD1  TYR  23           HD1      TYR  23  -7.802  -0.265  -6.178
  154    HD2  TYR  23           HD2      TYR  23  -3.735  -0.227  -4.851
  155    HE1  TYR  23           HE1      TYR  23  -7.970  -2.728  -5.572
  156    HE2  TYR  23           HE2      TYR  23  -3.917  -2.691  -4.249
  157    HH   TYR  23           HH       TYR  23  -5.982  -4.676  -5.392
  158    HA   PRO  24           HA       PRO  24  -7.950   4.836  -8.698
  159   1HB   PRO  24          1HB       PRO  24 -10.615   4.319  -8.389
  160   2HB   PRO  24          2HB       PRO  24  -9.730   3.945  -9.855
  161   1HG   PRO  24          1HG       PRO  24 -10.672   2.108  -7.739
  162   2HG   PRO  24          2HG       PRO  24 -10.178   1.733  -9.379
  163   1HD   PRO  24          1HD       PRO  24  -8.650   1.315  -6.988
  164   2HD   PRO  24          2HD       PRO  24  -8.113   1.049  -8.634
  165    H    HIS  25           H        HIS  25 -10.140   3.607  -6.227
  166    HA   HIS  25           HA       HIS  25  -9.787   6.116  -4.844
  167   1HB   HIS  25          1HB       HIS  25 -11.690   5.475  -3.551
  168   2HB   HIS  25          2HB       HIS  25 -12.034   5.140  -5.236
  169    HD1  HIS  25           HD1      HIS  25 -13.691   3.680  -3.154
  170    HD2  HIS  25           HD2      HIS  25 -10.089   2.159  -4.673
  171    HE1  HIS  25           HE1      HIS  25 -13.767   1.157  -2.782
  172    HE2  HIS  25           HE2      HIS  25 -11.553   0.271  -3.785
  173    H    VAL  26           H        VAL  26  -7.551   5.863  -4.189
  174    HA   VAL  26           HA       VAL  26  -7.048   3.679  -2.328
  175    HB   VAL  26           HB       VAL  26  -4.711   4.510  -2.463
  176   1HG1  VAL  26          1HG1      VAL  26  -6.087   3.828  -5.083
  177   2HG1  VAL  26          2HG1      VAL  26  -4.328   3.769  -4.813
  178   3HG1  VAL  26          3HG1      VAL  26  -5.406   2.689  -3.897
  179   1HG2  VAL  26          1HG2      VAL  26  -5.894   6.832  -3.484
  180   2HG2  VAL  26          2HG2      VAL  26  -4.155   6.466  -3.390
  181   3HG2  VAL  26          3HG2      VAL  26  -5.064   6.096  -4.875
  182    H    THR  27           H        THR  27  -6.682   3.978  -0.130
  183    HA   THR  27           HA       THR  27  -6.483   6.668   0.909
  184    HB   THR  27           HB       THR  27  -8.572   6.713   2.013
  185    HG1  THR  27           HG1      THR  27  -9.694   4.597   2.310
  186   1HG2  THR  27          1HG2      THR  27  -9.082   4.973  -0.458
  187   2HG2  THR  27          2HG2      THR  27 -10.349   5.806   0.473
  188   3HG2  THR  27          3HG2      THR  27  -9.126   6.752  -0.408
  189    HA   PRO  28           HA       PRO  28  -4.380   4.665   4.072
  190   1HB   PRO  28          1HB       PRO  28  -5.030   6.025   6.351
  191   2HB   PRO  28          2HB       PRO  28  -3.883   6.626   5.170
  192   1HG   PRO  28          1HG       PRO  28  -6.664   7.498   5.663
  193   2HG   PRO  28          2HG       PRO  28  -5.385   8.339   4.811
  194   1HD   PRO  28          1HD       PRO  28  -7.605   6.951   3.638
  195   2HD   PRO  28          2HD       PRO  28  -6.264   7.693   2.787
  196    H    LYS  29           H        LYS  29  -6.698   3.281   3.307
  197    HA   LYS  29           HA       LYS  29  -6.823   1.447   5.379
  198   1HB   LYS  29          1HB       LYS  29  -8.024   3.327   6.541
  199   2HB   LYS  29          2HB       LYS  29  -9.281   3.219   5.326
  200   1HG   LYS  29          1HG       LYS  29  -9.678   1.895   7.500
  201   2HG   LYS  29          2HG       LYS  29  -9.922   1.018   6.003
  202   1HD   LYS  29          1HD       LYS  29  -7.919  -0.217   6.234
  203   2HD   LYS  29          2HD       LYS  29  -7.185   0.971   7.293
  204   1HE   LYS  29          1HE       LYS  29  -9.625  -0.669   8.111
  205   2HE   LYS  29          2HE       LYS  29  -7.984  -1.206   8.413
  206   1HZ   LYS  29          1HZ       LYS  29  -8.285   1.452   9.242
  207   2HZ   LYS  29          2HZ       LYS  29  -9.454   0.539   9.925
  208   3HZ   LYS  29          3HZ       LYS  29  -7.883   0.143  10.131
  209    H    GLU  30           H        GLU  30  -8.746   3.079   2.784
  210    HA   GLU  30           HA       GLU  30  -9.991   0.695   1.999
  211   1HB   GLU  30          1HB       GLU  30 -10.932   2.932   1.522
  212   2HB   GLU  30          2HB       GLU  30  -9.567   3.313   0.491
  213   1HG   GLU  30          1HG       GLU  30 -11.011   2.569  -1.152
  214   2HG   GLU  30          2HG       GLU  30 -10.312   1.020  -0.724
  215    H    CYS  31           H        CYS  31  -7.070   2.496   0.887
  216    HA   CYS  31           HA       CYS  31  -6.581   0.861  -1.331
  217   1HB   CYS  31          1HB       CYS  31  -5.457   2.833  -1.491
  218   2HB   CYS  31          2HB       CYS  31  -5.075   2.900   0.218
  219    H    ASN  32           H        ASN  32  -5.722   0.743   2.154
  220    HA   ASN  32           HA       ASN  32  -3.982  -1.477   1.759
  221   1HB   ASN  32          1HB       ASN  32  -3.357  -0.122   3.610
  222   2HB   ASN  32          2HB       ASN  32  -5.013   0.097   4.139
  223   2HD2  ASN  32          2HD2      ASN  32  -5.230  -0.749   6.062
  224   1HD2  ASN  32          1HD2      ASN  32  -4.696  -2.310   6.589
  225    H    ASN  33           H        ASN  33  -7.347  -0.979   1.854
  226    HA   ASN  33           HA       ASN  33  -7.919  -3.427   3.260
  227   1HB   ASN  33          1HB       ASN  33  -9.420  -1.540   3.699
  228   2HB   ASN  33          2HB       ASN  33  -9.675  -1.270   1.986
  229   2HD2  ASN  33          2HD2      ASN  33 -11.045  -2.446   4.677
  230   1HD2  ASN  33          1HD2      ASN  33 -12.142  -3.624   4.037
  231    H    ARG  34           H        ARG  34  -8.108  -1.885  -0.002
  232    HA   ARG  34           HA       ARG  34  -9.512  -3.827  -1.298
  233   1HB   ARG  34          1HB       ARG  34  -8.346  -1.459  -2.020
  234   2HB   ARG  34          2HB       ARG  34  -7.223  -2.567  -2.783
  235   1HG   ARG  34          1HG       ARG  34  -9.154  -1.864  -4.268
  236   2HG   ARG  34          2HG       ARG  34  -8.979  -3.599  -4.095
  237   1HD   ARG  34          1HD       ARG  34 -10.715  -2.399  -2.012
  238   2HD   ARG  34          2HD       ARG  34 -11.325  -2.153  -3.636
  239    HE   ARG  34           HE       ARG  34 -10.465  -4.890  -3.313
  240   1HH1  ARG  34          1HH1      ARG  34 -13.064  -2.688  -2.430
  241   2HH1  ARG  34          2HH1      ARG  34 -14.247  -3.943  -2.275
  242   1HH2  ARG  34          1HH2      ARG  34 -12.026  -6.547  -3.108
  243   2HH2  ARG  34          2HH2      ARG  34 -13.653  -6.153  -2.663
  244    H    GLY  35           H        GLY  35  -6.254  -3.874  -0.014
  245   1HA   GLY  35          1HA       GLY  35  -5.753  -6.444  -1.393
  246   2HA   GLY  35          2HA       GLY  35  -5.315  -6.100   0.268
  247    H    CYS  36           H        CYS  36  -3.812  -4.116   0.602
  248    HA   CYS  36           HA       CYS  36  -1.448  -4.548  -0.669
  249   1HB   CYS  36          1HB       CYS  36  -3.139  -3.234  -2.465
  250   2HB   CYS  36          2HB       CYS  36  -2.099  -1.970  -1.839
  251    H    CYS  37           H        CYS  37  -0.554  -1.709  -0.747
  252    HA   CYS  37           HA       CYS  37  -1.074  -1.001   2.049
  253   1HB   CYS  37          1HB       CYS  37   1.489  -1.333   0.584
  254   2HB   CYS  37          2HB       CYS  37   1.378   0.038   1.670
  255    H    PHE  38           H        PHE  38  -1.037   1.345   2.474
  256    HA   PHE  38           HA       PHE  38  -1.443   2.897   0.014
  257   1HB   PHE  38          1HB       PHE  38  -3.514   2.591   1.341
  258   2HB   PHE  38          2HB       PHE  38  -2.672   2.972   2.829
  259    HD1  PHE  38           HD1      PHE  38  -4.021   4.391  -0.289
  260    HD2  PHE  38           HD2      PHE  38  -2.326   5.239   3.508
  261    HE1  PHE  38           HE1      PHE  38  -4.686   6.799  -0.530
  262    HE2  PHE  38           HE2      PHE  38  -2.992   7.647   3.267
  263    HZ   PHE  38           HZ       PHE  38  -4.164   8.399   1.251
  264    H    ASP  39           H        ASP  39  -1.228   5.405   0.587
  265    HA   ASP  39           HA       ASP  39   0.437   6.153   2.651
  266   1HB   ASP  39          1HB       ASP  39   2.185   4.863   1.482
  267   2HB   ASP  39          2HB       ASP  39   1.831   5.684  -0.025
  268    H    SER  40           H        SER  40   0.609   8.489   2.634
  269    HA   SER  40           HA       SER  40  -0.258   9.772   0.178
  270   1HB   SER  40          1HB       SER  40  -1.778  11.256   1.430
  271   2HB   SER  40          2HB       SER  40  -2.253   9.581   1.623
  272    HG   SER  40           HG       SER  40  -2.149  11.007   3.620
  273    H    ARG  41           H        ARG  41   2.295   9.322   1.934
  274    HA   ARG  41           HA       ARG  41   2.926  11.733   3.118
  275   1HB   ARG  41          1HB       ARG  41   4.116   9.284   2.991
  276   2HB   ARG  41          2HB       ARG  41   5.124  10.128   1.831
  277   1HG   ARG  41          1HG       ARG  41   5.640  11.881   3.508
  278   2HG   ARG  41          2HG       ARG  41   4.563  11.124   4.665
  279   1HD   ARG  41          1HD       ARG  41   6.239   9.758   5.354
  280   2HD   ARG  41          2HD       ARG  41   6.373   9.085   3.742
  281    HE   ARG  41           HE       ARG  41   7.668  11.699   3.999
  282   1HH1  ARG  41          1HH1      ARG  41   8.084   8.229   4.415
  283   2HH1  ARG  41          2HH1      ARG  41   9.810   8.291   4.286
  284   1HH2  ARG  41          1HH2      ARG  41   9.946  11.781   3.828
  285   2HH2  ARG  41          2HH2      ARG  41  10.876  10.325   3.950
  286    H    ILE  42           H        ILE  42   3.257  10.506  -0.239
  287    HA   ILE  42           HA       ILE  42   3.614  13.207  -1.166
  288    HB   ILE  42           HB       ILE  42   5.627  12.049  -2.585
  289   1HG1  ILE  42          1HG1      ILE  42   7.161  11.011  -0.941
  290   2HG1  ILE  42          2HG1      ILE  42   5.885  11.031   0.261
  291   1HG2  ILE  42          1HG2      ILE  42   5.337  14.043  -0.472
  292   2HG2  ILE  42          2HG2      ILE  42   6.955  13.302  -0.509
  293   3HG2  ILE  42          3HG2      ILE  42   6.300  14.082  -1.969
  294   1HD1  ILE  42          1HD1      ILE  42   5.268   9.774  -2.407
  295   2HD1  ILE  42          2HD1      ILE  42   6.310   8.881  -1.274
  296   3HD1  ILE  42          3HD1      ILE  42   4.663   9.348  -0.787
  297    HA   PRO  43           HA       PRO  43   1.174  11.312  -4.208
  298   1HB   PRO  43          1HB       PRO  43   0.829  13.467  -5.852
  299   2HB   PRO  43          2HB       PRO  43  -0.139  13.191  -4.418
  300   1HG   PRO  43          1HG       PRO  43   2.049  15.135  -4.831
  301   2HG   PRO  43          2HG       PRO  43   0.809  15.126  -3.593
  302   1HD   PRO  43          1HD       PRO  43   3.555  14.358  -3.278
  303   2HD   PRO  43          2HD       PRO  43   2.288  14.239  -2.073
  304    H    GLY  44           H        GLY  44   4.061  13.067  -5.054
  305   1HA   GLY  44          1HA       GLY  44   5.723  12.431  -6.456
  306   2HA   GLY  44          2HA       GLY  44   4.444  12.504  -7.652
  307    H    VAL  45           H        VAL  45   4.781  10.177  -4.904
  308    HA   VAL  45           HA       VAL  45   5.423   8.076  -6.821
  309    HB   VAL  45           HB       VAL  45   6.324   6.914  -5.074
  310   1HG1  VAL  45          1HG1      VAL  45   6.860   9.711  -5.092
  311   2HG1  VAL  45          2HG1      VAL  45   6.879   9.172  -3.396
  312   3HG1  VAL  45          3HG1      VAL  45   7.932   8.381  -4.593
  313   1HG2  VAL  45          1HG2      VAL  45   4.233   8.258  -3.384
  314   2HG2  VAL  45          2HG2      VAL  45   4.603   6.527  -3.576
  315   3HG2  VAL  45          3HG2      VAL  45   5.679   7.566  -2.612
  316    HA   PRO  46           HA       PRO  46   1.536   6.201  -6.513
  317   1HB   PRO  46          1HB       PRO  46   2.011   3.532  -6.167
  318   2HB   PRO  46          2HB       PRO  46   2.166   4.340  -7.714
  319   1HG   PRO  46          1HG       PRO  46   4.296   3.414  -5.886
  320   2HG   PRO  46          2HG       PRO  46   4.410   3.825  -7.586
  321   1HD   PRO  46          1HD       PRO  46   5.267   5.433  -5.370
  322   2HD   PRO  46          2HD       PRO  46   5.273   5.890  -7.062
  323    H    TRP  47           H        TRP  47   0.588   7.255  -4.774
  324    HA   TRP  47           HA       TRP  47   0.990   6.946  -2.189
  325   1HB   TRP  47          1HB       TRP  47  -1.492   7.249  -3.797
  326   2HB   TRP  47          2HB       TRP  47  -1.685   6.861  -2.098
  327    HD1  TRP  47           HD1      TRP  47   1.204   9.166  -3.197
  328    HE1  TRP  47           HE1      TRP  47   0.868  11.620  -2.290
  329    HE3  TRP  47           HE3      TRP  47  -3.495   8.420  -1.403
  330    HZ2  TRP  47           HZ2      TRP  47  -1.278  12.945  -0.953
  331    HZ3  TRP  47           HZ3      TRP  47  -4.640  10.346  -0.311
  332    HH2  TRP  47           HH2      TRP  47  -3.607  12.549  -0.072
  333    H    CYS  48           H        CYS  48  -1.020   4.651  -4.175
  334    HA   CYS  48           HA       CYS  48  -0.894   2.757  -1.983
  335   1HB   CYS  48          1HB       CYS  48  -3.009   3.348  -3.333
  336   2HB   CYS  48          2HB       CYS  48  -2.325   2.349  -4.600
  337    H    PHE  49           H        PHE  49   0.900   1.445  -1.937
  338    HA   PHE  49           HA       PHE  49   1.837   0.414  -4.514
  339   1HB   PHE  49          1HB       PHE  49   4.171   0.602  -3.339
  340   2HB   PHE  49          2HB       PHE  49   3.456   2.105  -3.888
  341    HD1  PHE  49           HD1      PHE  49   3.561  -0.060  -0.847
  342    HD2  PHE  49           HD2      PHE  49   3.360   3.879  -2.413
  343    HE1  PHE  49           HE1      PHE  49   3.738   0.873   1.477
  344    HE2  PHE  49           HE2      PHE  49   3.537   4.812  -0.089
  345    HZ   PHE  49           HZ       PHE  49   3.724   3.298   1.828
  346    H    LYS  50           H        LYS  50   3.260  -1.587  -4.207
  347    HA   LYS  50           HA       LYS  50   1.860  -3.441  -2.639
  348   1HB   LYS  50          1HB       LYS  50   4.441  -3.527  -4.202
  349   2HB   LYS  50          2HB       LYS  50   3.892  -4.907  -3.272
  350   1HG   LYS  50          1HG       LYS  50   1.576  -4.165  -4.632
  351   2HG   LYS  50          2HG       LYS  50   2.823  -3.797  -5.807
  352   1HD   LYS  50          1HD       LYS  50   3.556  -6.316  -4.708
  353   2HD   LYS  50          2HD       LYS  50   1.821  -6.404  -4.939
  354   1HE   LYS  50          1HE       LYS  50   2.793  -5.143  -7.286
  355   2HE   LYS  50          2HE       LYS  50   3.957  -6.409  -6.949
  356   1HZ   LYS  50          1HZ       LYS  50   1.052  -6.838  -7.037
  357   2HZ   LYS  50          2HZ       LYS  50   2.067  -7.147  -8.278
  358   3HZ   LYS  50          3HZ       LYS  50   2.199  -7.991  -6.886
  359    HA   PRO  51           HA       PRO  51   3.929  -3.280   1.144
  360   1HB   PRO  51          1HB       PRO  51   3.969  -5.883   1.975
  361   2HB   PRO  51          2HB       PRO  51   2.549  -4.862   2.089
  362   1HG   PRO  51          1HG       PRO  51   3.115  -7.045   0.177
  363   2HG   PRO  51          2HG       PRO  51   1.575  -6.313   0.583
  364   1HD   PRO  51          1HD       PRO  51   3.125  -5.846  -1.785
  365   2HD   PRO  51          2HD       PRO  51   1.645  -5.030  -1.323
  366    H    LEU  52           H        LEU  52   5.943  -2.674   1.588
  367    HA   LEU  52           HA       LEU  52   8.084  -3.227   0.134
  368   1HB   LEU  52          1HB       LEU  52   8.229  -1.667   1.882
  369   2HB   LEU  52          2HB       LEU  52   7.821  -2.854   3.105
  370    HG   LEU  52           HG       LEU  52  10.389  -2.915   1.500
  371   1HD1  LEU  52          1HD1      LEU  52   9.695  -1.509   4.059
  372   2HD1  LEU  52          2HD1      LEU  52  11.334  -2.159   3.815
  373   3HD1  LEU  52          3HD1      LEU  52  10.676  -0.955   2.681
  374   1HD2  LEU  52          1HD2      LEU  52   9.147  -4.722   3.422
  375   2HD2  LEU  52          2HD2      LEU  52  10.529  -4.978   2.329
  376   3HD2  LEU  52          3HD2      LEU  52  10.780  -4.215   3.917
  377    H    GLN  53           H        GLN  53   9.283  -4.950  -0.489
  378    HA   GLN  53           HA       GLN  53   8.499  -7.499   0.355
  379   1HB   GLN  53          1HB       GLN  53  10.340  -8.292  -1.100
  380   2HB   GLN  53          2HB       GLN  53   9.381  -7.064  -1.902
  381   1HG   GLN  53          1HG       GLN  53  11.557  -5.833  -0.376
  382   2HG   GLN  53          2HG       GLN  53  12.187  -7.038  -1.482
  383   2HE2  GLN  53          2HE2      GLN  53  11.228  -3.886  -1.126
  384   1HE2  GLN  53          1HE2      GLN  53  11.016  -3.420  -2.781
  385    H    GLU  54           H        GLU  54   8.792  -6.962   2.767
  386    HA   GLU  54           HA       GLU  54  11.111  -6.449   3.985
  387   1HB   GLU  54          1HB       GLU  54  10.156  -7.362   5.950
  388   2HB   GLU  54          2HB       GLU  54   8.769  -6.919   4.976
  389   1HG   GLU  54          1HG       GLU  54   9.963  -9.709   5.298
  390   2HG   GLU  54          2HG       GLU  54   8.402  -9.161   5.876
  391    H    ALA  55           H        ALA  55  13.128  -7.335   3.946
  392    HA   ALA  55           HA       ALA  55  13.515 -10.125   4.201
  393   1HB   ALA  55          1HB       ALA  55  12.830  -9.877   1.756
  394   2HB   ALA  55          2HB       ALA  55  14.409 -10.649   2.042
  395   3HB   ALA  55          3HB       ALA  55  14.331  -8.949   1.521
  396    H    GLU  56           H        GLU  56  14.230  -7.739   5.627
  397    HA   GLU  56           HA       GLU  56  17.012  -8.182   5.745
  398   1HB   GLU  56          1HB       GLU  56  17.729  -5.843   5.274
  399   2HB   GLU  56          2HB       GLU  56  17.059  -6.627   3.856
  400   1HG   GLU  56          1HG       GLU  56  15.113  -5.129   5.579
  401   2HG   GLU  56          2HG       GLU  56  16.279  -4.155   4.707
  402    H    CYS  57           H        CYS  57  17.982  -6.388   7.407
  403    HA   CYS  57           HA       CYS  57  16.252  -6.587   9.673
  404   1HB   CYS  57          1HB       CYS  57  18.931  -5.201   9.520
  405   2HB   CYS  57          2HB       CYS  57  18.106  -5.785  10.952
  406    H    THR  58           H        THR  58  17.917  -3.913   7.841
  407    HA   THR  58           HA       THR  58  17.459  -1.744   7.641
  408    HB   THR  58           HB       THR  58  14.664  -2.966   7.806
  409    HG1  THR  58           HG1      THR  58  16.500  -1.871   5.794
  410   1HG2  THR  58          1HG2      THR  58  14.888  -0.348   8.307
  411   2HG2  THR  58          2HG2      THR  58  15.254  -0.263   6.567
  412   3HG2  THR  58          3HG2      THR  58  13.696  -0.926   7.118
  413    H    PHE  59           H        PHE  59  18.619  -1.316   9.635
  414    HA   PHE  59           HA       PHE  59  18.810  -0.633  11.747
  415   1HB   PHE  59          1HB       PHE  59  18.035   1.386  10.477
  416   2HB   PHE  59          2HB       PHE  59  16.363   0.908  10.695
  417    HD1  PHE  59           HD1      PHE  59  19.381   1.681  12.758
  418    HD2  PHE  59           HD2      PHE  59  15.160   1.922  12.381
  419    HE1  PHE  59           HE1      PHE  59  19.269   3.035  14.869
  420    HE2  PHE  59           HE2      PHE  59  15.049   3.275  14.492
  421    HZ   PHE  59           HZ       PHE  59  17.105   3.815  15.711

  No H/Q in entry =         421
  Start of MODEL    9
    1    H    GLU   1           H        GLU   1   4.107 -14.170  20.700
    2    HA   GLU   1           HA       GLU   1   5.588 -12.797  21.496
    3   1HB   GLU   1          1HB       GLU   1   6.835 -13.762  19.008
    4   2HB   GLU   1          2HB       GLU   1   7.455 -12.197  19.494
    5   1HG   GLU   1          1HG       GLU   1   8.537 -13.053  21.320
    6   2HG   GLU   1          2HG       GLU   1   7.175 -14.059  21.774
    7    H    GLU   2           H        GLU   2   5.631 -11.694  18.029
    8    HA   GLU   2           HA       GLU   2   3.919  -9.581  18.387
    9   1HB   GLU   2          1HB       GLU   2   6.396  -9.065  19.661
   10   2HB   GLU   2          2HB       GLU   2   6.460  -8.153  18.167
   11   1HG   GLU   2          1HG       GLU   2   4.027  -7.372  18.799
   12   2HG   GLU   2          2HG       GLU   2   4.419  -7.949  20.407
   13    H    TYR   3           H        TYR   3   3.195  -9.868  16.299
   14    HA   TYR   3           HA       TYR   3   4.592  -8.797  14.167
   15   1HB   TYR   3          1HB       TYR   3   6.102 -10.731  14.352
   16   2HB   TYR   3          2HB       TYR   3   4.766 -11.823  14.657
   17    HD1  TYR   3           HD1      TYR   3   6.179  -9.599  11.999
   18    HD2  TYR   3           HD2      TYR   3   3.840 -13.067  12.898
   19    HE1  TYR   3           HE1      TYR   3   6.084 -10.184   9.527
   20    HE2  TYR   3           HE2      TYR   3   3.753 -13.640  10.423
   21    HH   TYR   3           HH       TYR   3   5.239 -13.159   8.412
   22    H    VAL   4           H        VAL   4   2.687  -7.936  13.415
   23    HA   VAL   4           HA       VAL   4   0.976  -9.555  11.928
   24    HB   VAL   4           HB       VAL   4   0.206 -10.371  14.079
   25   1HG1  VAL   4          1HG1      VAL   4   0.755  -7.892  15.070
   26   2HG1  VAL   4          2HG1      VAL   4  -1.018  -7.817  14.936
   27   3HG1  VAL   4          3HG1      VAL   4  -0.252  -9.106  15.895
   28   1HG2  VAL   4          1HG2      VAL   4  -1.520  -8.854  12.227
   29   2HG2  VAL   4          2HG2      VAL   4  -1.656 -10.528  12.817
   30   3HG2  VAL   4          3HG2      VAL   4  -2.247  -9.181  13.819
   31    H    GLY   5           H        GLY   5   2.435  -7.340  11.293
   32   1HA   GLY   5          1HA       GLY   5   0.607  -5.616  10.153
   33   2HA   GLY   5          2HA       GLY   5   2.303  -5.270  10.429
   34    H    LEU   6           H        LEU   6   2.716  -4.969  13.054
   35    HA   LEU   6           HA       LEU   6   0.558  -3.351  14.144
   36   1HB   LEU   6          1HB       LEU   6   2.017  -3.357  16.179
   37   2HB   LEU   6          2HB       LEU   6   1.370  -4.908  15.683
   38    HG   LEU   6           HG       LEU   6   3.830  -4.745  16.469
   39   1HD1  LEU   6          1HD1      LEU   6   2.451  -6.507  14.815
   40   2HD1  LEU   6          2HD1      LEU   6   3.990  -6.218  13.968
   41   3HD1  LEU   6          3HD1      LEU   6   3.996  -6.805  15.648
   42   1HD2  LEU   6          1HD2      LEU   6   4.127  -3.751  13.622
   43   2HD2  LEU   6          2HD2      LEU   6   4.519  -2.859  15.112
   44   3HD2  LEU   6          3HD2      LEU   6   5.457  -4.305  14.668
   45    H    SER   7           H        SER   7   2.157  -2.536  11.738
   46    HA   SER   7           HA       SER   7   2.480   0.112  12.446
   47   1HB   SER   7          1HB       SER   7   4.944   0.372  12.219
   48   2HB   SER   7          2HB       SER   7   4.512  -0.583  13.624
   49    HG   SER   7           HG       SER   7   4.766  -2.413  11.768
   50    H    ALA   8           H        ALA   8   4.328   1.001  10.500
   51    HA   ALA   8           HA       ALA   8   2.969   0.095   8.086
   52   1HB   ALA   8          1HB       ALA   8   4.921   2.370   8.128
   53   2HB   ALA   8          2HB       ALA   8   3.380   2.580   8.993
   54   3HB   ALA   8          3HB       ALA   8   3.380   2.205   7.253
   55    H    ASN   9           H        ASN   9   4.978  -1.600   9.484
   56    HA   ASN   9           HA       ASN   9   7.468  -1.418   8.427
   57   1HB   ASN   9          1HB       ASN   9   6.597  -3.086  10.169
   58   2HB   ASN   9          2HB       ASN   9   5.914  -4.022   8.854
   59   2HD2  ASN   9          2HD2      ASN   9   8.770  -3.046  10.530
   60   1HD2  ASN   9          1HD2      ASN   9   9.910  -4.084   9.741
   61    H    GLN  10           H        GLN  10   4.623  -3.350   7.205
   62    HA   GLN  10           HA       GLN  10   5.911  -4.184   4.885
   63   1HB   GLN  10          1HB       GLN  10   3.598  -4.802   4.130
   64   2HB   GLN  10          2HB       GLN  10   3.979  -5.384   5.738
   65   1HG   GLN  10          1HG       GLN  10   2.830  -2.689   5.857
   66   2HG   GLN  10          2HG       GLN  10   1.767  -3.777   4.986
   67   2HE2  GLN  10          2HE2      GLN  10   2.745  -2.671   7.974
   68   1HE2  GLN  10          1HE2      GLN  10   2.060  -3.885   9.002
   69    H    CYS  11           H        CYS  11   4.208  -1.214   5.776
   70    HA   CYS  11           HA       CYS  11   4.423  -0.338   2.989
   71   1HB   CYS  11          1HB       CYS  11   2.735   1.192   4.888
   72   2HB   CYS  11          2HB       CYS  11   2.523   0.890   3.175
   73    H    ALA  12           H        ALA  12   6.767  -0.398   4.476
   74    HA   ALA  12           HA       ALA  12   7.081   2.405   5.310
   75   1HB   ALA  12          1HB       ALA  12   9.169   1.185   6.496
   76   2HB   ALA  12          2HB       ALA  12   7.571   1.312   7.270
   77   3HB   ALA  12          3HB       ALA  12   8.041  -0.192   6.442
   78    H    VAL  13           H        VAL  13   7.141   2.082   2.642
   79    HA   VAL  13           HA       VAL  13   9.886   1.491   1.876
   80    HB   VAL  13           HB       VAL  13   7.959   2.426  -0.143
   81   1HG1  VAL  13          1HG1      VAL  13  10.206   0.564   0.131
   82   2HG1  VAL  13          2HG1      VAL  13   8.863  -0.101  -0.829
   83   3HG1  VAL  13          3HG1      VAL  13   9.613   1.444  -1.298
   84   1HG2  VAL  13          1HG2      VAL  13   7.331   0.116   1.668
   85   2HG2  VAL  13          2HG2      VAL  13   6.243   1.313   0.926
   86   3HG2  VAL  13          3HG2      VAL  13   6.927  -0.001  -0.061
   87    HA   PRO  14           HA       PRO  14  10.952   5.675   1.694
   88   1HB   PRO  14          1HB       PRO  14  13.017   5.626  -0.095
   89   2HB   PRO  14          2HB       PRO  14  13.197   5.174   1.588
   90   1HG   PRO  14          1HG       PRO  14  13.082   3.432  -0.798
   91   2HG   PRO  14          2HG       PRO  14  13.676   3.056   0.808
   92   1HD   PRO  14          1HD       PRO  14  11.165   2.255  -0.324
   93   2HD   PRO  14          2HD       PRO  14  11.709   1.980   1.318
   94    H    ALA  15           H        ALA  15   9.229   4.230  -0.607
   95    HA   ALA  15           HA       ALA  15   7.803   5.205  -2.046
   96   1HB   ALA  15          1HB       ALA  15   8.727   7.441  -0.724
   97   2HB   ALA  15          2HB       ALA  15   7.507   7.453  -2.021
   98   3HB   ALA  15          3HB       ALA  15   9.215   7.777  -2.403
   99    H    LYS  16           H        LYS  16  11.298   5.198  -2.258
  100    HA   LYS  16           HA       LYS  16  11.231   5.398  -5.154
  101   1HB   LYS  16          1HB       LYS  16  13.666   5.398  -4.987
  102   2HB   LYS  16          2HB       LYS  16  12.962   6.623  -3.952
  103   1HG   LYS  16          1HG       LYS  16  14.687   5.499  -2.671
  104   2HG   LYS  16          2HG       LYS  16  13.142   5.015  -2.002
  105   1HD   LYS  16          1HD       LYS  16  13.301   2.834  -2.821
  106   2HD   LYS  16          2HD       LYS  16  14.266   3.304  -4.206
  107   1HE   LYS  16          1HE       LYS  16  16.193   3.789  -2.595
  108   2HE   LYS  16          2HE       LYS  16  15.220   3.099  -1.312
  109   1HZ   LYS  16          1HZ       LYS  16  15.096   1.260  -3.284
  110   2HZ   LYS  16          2HZ       LYS  16  16.641   1.782  -3.376
  111   3HZ   LYS  16          3HZ       LYS  16  16.063   1.182  -1.971
  112    H    ASP  17           H        ASP  17  10.321   3.088  -3.057
  113    HA   ASP  17           HA       ASP  17  11.422   1.010  -4.776
  114   1HB   ASP  17          1HB       ASP  17  11.751   1.331  -1.933
  115   2HB   ASP  17          2HB       ASP  17  10.697  -0.048  -2.178
  116    H    ARG  18           H        ARG  18   8.830   2.694  -4.610
  117    HA   ARG  18           HA       ARG  18   6.865   0.920  -3.637
  118   1HB   ARG  18          1HB       ARG  18   6.402   3.228  -5.578
  119   2HB   ARG  18          2HB       ARG  18   5.273   2.580  -4.405
  120   1HG   ARG  18          1HG       ARG  18   7.915   3.712  -3.448
  121   2HG   ARG  18          2HG       ARG  18   6.617   4.809  -3.873
  122   1HD   ARG  18          1HD       ARG  18   5.304   2.907  -2.298
  123   2HD   ARG  18          2HD       ARG  18   6.872   3.021  -1.524
  124    HE   ARG  18           HE       ARG  18   5.549   5.592  -2.178
  125   1HH1  ARG  18          1HH1      ARG  18   6.297   3.168   0.261
  126   2HH1  ARG  18          2HH1      ARG  18   5.973   4.225   1.595
  127   1HH2  ARG  18          1HH2      ARG  18   5.121   6.987  -0.419
  128   2HH2  ARG  18          2HH2      ARG  18   5.299   6.412   1.205
  129    H    VAL  19           H        VAL  19   5.560  -0.551  -4.800
  130    HA   VAL  19           HA       VAL  19   6.473  -1.086  -7.519
  131    HB   VAL  19           HB       VAL  19   4.683  -2.754  -5.751
  132   1HG1  VAL  19          1HG1      VAL  19   5.796  -3.033  -8.440
  133   2HG1  VAL  19          2HG1      VAL  19   6.201  -4.409  -7.386
  134   3HG1  VAL  19          3HG1      VAL  19   4.499  -3.950  -7.636
  135   1HG2  VAL  19          1HG2      VAL  19   6.949  -2.180  -4.719
  136   2HG2  VAL  19          2HG2      VAL  19   6.561  -3.909  -4.893
  137   3HG2  VAL  19          3HG2      VAL  19   7.672  -3.126  -6.043
  138    H    ASP  20           H        ASP  20   4.235   0.856  -6.047
  139    HA   ASP  20           HA       ASP  20   2.278   1.666  -6.555
  140   1HB   ASP  20          1HB       ASP  20   3.346   2.650  -8.443
  141   2HB   ASP  20          2HB       ASP  20   3.495   1.116  -9.277
  142    H    CYS  21           H        CYS  21   0.704   0.187  -5.754
  143    HA   CYS  21           HA       CYS  21   0.198  -2.284  -6.997
  144   1HB   CYS  21          1HB       CYS  21  -0.374  -1.191  -4.572
  145   2HB   CYS  21          2HB       CYS  21  -1.943  -1.093  -5.346
  146    H    GLY  22           H        GLY  22  -0.803   1.043  -7.532
  147   1HA   GLY  22          1HA       GLY  22  -2.109   0.424  -9.962
  148   2HA   GLY  22          2HA       GLY  22  -2.058   1.976  -9.151
  149    H    TYR  23           H        TYR  23  -3.753   2.615  -7.724
  150    HA   TYR  23           HA       TYR  23  -6.158   0.975  -8.021
  151   1HB   TYR  23          1HB       TYR  23  -4.640   1.910  -5.559
  152   2HB   TYR  23          2HB       TYR  23  -6.389   1.968  -5.464
  153    HD1  TYR  23           HD1      TYR  23  -7.609  -0.286  -6.244
  154    HD2  TYR  23           HD2      TYR  23  -3.564  -0.032  -4.873
  155    HE1  TYR  23           HE1      TYR  23  -7.651  -2.755  -5.640
  156    HE2  TYR  23           HE2      TYR  23  -3.620  -2.501  -4.272
  157    HH   TYR  23           HH       TYR  23  -4.902  -4.513  -5.054
  158    HA   PRO  24           HA       PRO  24  -7.924   4.858  -8.758
  159   1HB   PRO  24          1HB       PRO  24 -10.575   4.281  -8.429
  160   2HB   PRO  24          2HB       PRO  24  -9.690   3.915  -9.896
  161   1HG   PRO  24          1HG       PRO  24 -10.577   2.075  -7.759
  162   2HG   PRO  24          2HG       PRO  24 -10.083   1.698  -9.397
  163   1HD   PRO  24          1HD       PRO  24  -8.532   1.337  -7.012
  164   2HD   PRO  24          2HD       PRO  24  -7.998   1.070  -8.659
  165    H    HIS  25           H        HIS  25 -10.104   3.626  -6.284
  166    HA   HIS  25           HA       HIS  25  -9.754   6.141  -4.908
  167   1HB   HIS  25          1HB       HIS  25 -11.673   5.504  -3.621
  168   2HB   HIS  25          2HB       HIS  25 -12.006   5.206  -5.315
  169    HD1  HIS  25           HD1      HIS  25 -13.752   3.716  -3.394
  170    HD2  HIS  25           HD2      HIS  25 -10.056   2.202  -4.676
  171    HE1  HIS  25           HE1      HIS  25 -13.853   1.191  -3.041
  172    HE2  HIS  25           HE2      HIS  25 -11.575   0.310  -3.897
  173    H    VAL  26           H        VAL  26  -7.557   5.918  -4.179
  174    HA   VAL  26           HA       VAL  26  -7.074   3.711  -2.334
  175    HB   VAL  26           HB       VAL  26  -4.738   4.558  -2.419
  176   1HG1  VAL  26          1HG1      VAL  26  -6.019   3.908  -5.096
  177   2HG1  VAL  26          2HG1      VAL  26  -4.284   3.780  -4.719
  178   3HG1  VAL  26          3HG1      VAL  26  -5.457   2.737  -3.879
  179   1HG2  VAL  26          1HG2      VAL  26  -5.823   6.904  -3.326
  180   2HG2  VAL  26          2HG2      VAL  26  -4.107   6.450  -3.468
  181   3HG2  VAL  26          3HG2      VAL  26  -5.215   6.182  -4.835
  182    H    THR  27           H        THR  27  -6.798   3.990  -0.129
  183    HA   THR  27           HA       THR  27  -6.596   6.670   0.938
  184    HB   THR  27           HB       THR  27  -8.720   6.744   1.956
  185    HG1  THR  27           HG1      THR  27  -9.812   4.702   2.404
  186   1HG2  THR  27          1HG2      THR  27  -9.152   4.973  -0.508
  187   2HG2  THR  27          2HG2      THR  27 -10.459   5.784   0.388
  188   3HG2  THR  27          3HG2      THR  27  -9.231   6.751  -0.464
  189    HA   PRO  28           HA       PRO  28  -4.624   4.622   4.158
  190   1HB   PRO  28          1HB       PRO  28  -5.371   5.935   6.436
  191   2HB   PRO  28          2HB       PRO  28  -4.181   6.564   5.313
  192   1HG   PRO  28          1HG       PRO  28  -6.984   7.413   5.712
  193   2HG   PRO  28          2HG       PRO  28  -5.677   8.277   4.928
  194   1HD   PRO  28          1HD       PRO  28  -7.841   6.903   3.641
  195   2HD   PRO  28          2HD       PRO  28  -6.472   7.666   2.858
  196    H    LYS  29           H        LYS  29  -6.897   3.239   3.275
  197    HA   LYS  29           HA       LYS  29  -7.095   1.363   5.300
  198   1HB   LYS  29          1HB       LYS  29  -8.429   3.421   6.260
  199   2HB   LYS  29          2HB       LYS  29  -9.695   2.862   5.185
  200   1HG   LYS  29          1HG       LYS  29  -8.649   0.538   6.505
  201   2HG   LYS  29          2HG       LYS  29  -8.873   1.761   7.740
  202   1HD   LYS  29          1HD       LYS  29 -11.210   2.060   6.311
  203   2HD   LYS  29          2HD       LYS  29 -10.910   0.349   6.075
  204   1HE   LYS  29          1HE       LYS  29 -10.534   0.225   8.648
  205   2HE   LYS  29          2HE       LYS  29 -11.232   1.831   8.717
  206   1HZ   LYS  29          1HZ       LYS  29 -12.576  -0.436   7.426
  207   2HZ   LYS  29          2HZ       LYS  29 -12.824  -0.016   8.984
  208   3HZ   LYS  29          3HZ       LYS  29 -13.222   1.020   7.786
  209    H    GLU  30           H        GLU  30  -8.984   3.041   2.703
  210    HA   GLU  30           HA       GLU  30 -10.181   0.682   1.815
  211   1HB   GLU  30          1HB       GLU  30 -11.159   2.848   1.300
  212   2HB   GLU  30          2HB       GLU  30  -9.709   3.373   0.467
  213   1HG   GLU  30          1HG       GLU  30 -10.302   2.318  -1.467
  214   2HG   GLU  30          2HG       GLU  30 -10.730   0.839  -0.630
  215    H    CYS  31           H        CYS  31  -7.222   2.494   0.816
  216    HA   CYS  31           HA       CYS  31  -6.653   0.895  -1.401
  217   1HB   CYS  31          1HB       CYS  31  -5.497   2.850  -1.476
  218   2HB   CYS  31          2HB       CYS  31  -5.194   2.884   0.250
  219    H    ASN  32           H        ASN  32  -6.017   0.646   2.113
  220    HA   ASN  32           HA       ASN  32  -4.297  -1.612   1.708
  221   1HB   ASN  32          1HB       ASN  32  -3.677  -0.174   3.548
  222   2HB   ASN  32          2HB       ASN  32  -5.320  -0.102   4.152
  223   2HD2  ASN  32          2HD2      ASN  32  -5.571  -1.155   5.955
  224   1HD2  ASN  32          1HD2      ASN  32  -4.841  -2.657   6.413
  225    H    ASN  33           H        ASN  33  -7.590  -1.065   1.584
  226    HA   ASN  33           HA       ASN  33  -8.326  -3.403   3.109
  227   1HB   ASN  33          1HB       ASN  33  -9.773  -1.427   3.352
  228   2HB   ASN  33          2HB       ASN  33  -9.954  -1.285   1.615
  229   2HD2  ASN  33          2HD2      ASN  33 -11.831  -1.914   0.909
  230   1HD2  ASN  33          1HD2      ASN  33 -12.805  -3.216   1.507
  231    H    ARG  34           H        ARG  34  -8.189  -2.048  -0.226
  232    HA   ARG  34           HA       ARG  34  -9.593  -4.069  -1.477
  233   1HB   ARG  34          1HB       ARG  34  -8.515  -1.698  -2.279
  234   2HB   ARG  34          2HB       ARG  34  -7.295  -2.775  -2.930
  235   1HG   ARG  34          1HG       ARG  34 -10.290  -3.074  -3.455
  236   2HG   ARG  34          2HG       ARG  34  -9.183  -2.257  -4.541
  237   1HD   ARG  34          1HD       ARG  34  -7.798  -4.516  -4.415
  238   2HD   ARG  34          2HD       ARG  34  -9.301  -5.206  -3.835
  239    HE   ARG  34           HE       ARG  34  -9.816  -3.637  -6.193
  240   1HH1  ARG  34          1HH1      ARG  34  -8.377  -6.687  -5.189
  241   2HH1  ARG  34          2HH1      ARG  34  -8.680  -7.475  -6.701
  242   1HH2  ARG  34          1HH2      ARG  34 -10.217  -4.676  -8.188
  243   2HH2  ARG  34          2HH2      ARG  34  -9.734  -6.323  -8.419
  244    H    GLY  35           H        GLY  35  -6.299  -3.872  -0.219
  245   1HA   GLY  35          1HA       GLY  35  -5.690  -6.499  -1.442
  246   2HA   GLY  35          2HA       GLY  35  -5.329  -6.093   0.224
  247    H    CYS  36           H        CYS  36  -3.872  -4.116   0.592
  248    HA   CYS  36           HA       CYS  36  -1.473  -4.474  -0.639
  249   1HB   CYS  36          1HB       CYS  36  -3.173  -3.152  -2.435
  250   2HB   CYS  36          2HB       CYS  36  -2.139  -1.896  -1.783
  251    H    CYS  37           H        CYS  37  -0.589  -1.657  -0.636
  252    HA   CYS  37           HA       CYS  37  -1.214  -0.977   2.147
  253   1HB   CYS  37          1HB       CYS  37   1.405  -1.223   0.745
  254   2HB   CYS  37          2HB       CYS  37   1.227   0.075   1.908
  255    H    PHE  38           H        PHE  38  -1.230   1.358   2.599
  256    HA   PHE  38           HA       PHE  38  -1.575   2.935   0.145
  257   1HB   PHE  38          1HB       PHE  38  -3.670   2.604   1.428
  258   2HB   PHE  38          2HB       PHE  38  -2.860   2.980   2.935
  259    HD1  PHE  38           HD1      PHE  38  -4.145   4.416  -0.204
  260    HD2  PHE  38           HD2      PHE  38  -2.552   5.241   3.642
  261    HE1  PHE  38           HE1      PHE  38  -4.821   6.822  -0.440
  262    HE2  PHE  38           HE2      PHE  38  -3.228   7.647   3.406
  263    HZ   PHE  38           HZ       PHE  38  -4.354   8.409   1.368
  264    H    ASP  39           H        ASP  39  -1.370   5.433   0.723
  265    HA   ASP  39           HA       ASP  39   0.223   6.194   2.834
  266   1HB   ASP  39          1HB       ASP  39   2.010   4.886   1.745
  267   2HB   ASP  39          2HB       ASP  39   1.720   5.698   0.219
  268    H    SER  40           H        SER  40   0.452   8.536   2.781
  269    HA   SER  40           HA       SER  40  -0.405   9.778   0.295
  270   1HB   SER  40          1HB       SER  40  -1.882  11.305   1.499
  271   2HB   SER  40          2HB       SER  40  -2.347   9.654   1.859
  272    HG   SER  40           HG       SER  40  -1.851  11.520   3.634
  273    H    ARG  41           H        ARG  41   2.182   9.301   1.996
  274    HA   ARG  41           HA       ARG  41   2.947  11.660   3.146
  275   1HB   ARG  41          1HB       ARG  41   4.095   9.212   2.849
  276   2HB   ARG  41          2HB       ARG  41   5.011  10.073   1.629
  277   1HG   ARG  41          1HG       ARG  41   4.735  11.539   4.207
  278   2HG   ARG  41          2HG       ARG  41   5.624  10.034   4.328
  279   1HD   ARG  41          1HD       ARG  41   7.163  10.753   2.524
  280   2HD   ARG  41          2HD       ARG  41   6.233  12.217   2.276
  281    HE   ARG  41           HE       ARG  41   7.148  11.898   5.040
  282   1HH1  ARG  41          1HH1      ARG  41   8.013  13.085   1.842
  283   2HH1  ARG  41          2HH1      ARG  41   9.192  14.206   2.437
  284   1HH2  ARG  41          1HH2      ARG  41   8.703  13.377   5.826
  285   2HH2  ARG  41          2HH2      ARG  41   9.587  14.373   4.718
  286    H    ILE  42           H        ILE  42   3.493  10.443  -0.238
  287    HA   ILE  42           HA       ILE  42   3.599  13.211  -1.124
  288    HB   ILE  42           HB       ILE  42   5.603  12.114  -2.618
  289   1HG1  ILE  42          1HG1      ILE  42   7.206  11.118  -1.011
  290   2HG1  ILE  42          2HG1      ILE  42   5.956  11.095   0.216
  291   1HG2  ILE  42          1HG2      ILE  42   5.283  14.129  -0.558
  292   2HG2  ILE  42          2HG2      ILE  42   6.905  13.397  -0.506
  293   3HG2  ILE  42          3HG2      ILE  42   6.308  14.132  -2.013
  294   1HD1  ILE  42          1HD1      ILE  42   5.102   9.876  -2.348
  295   2HD1  ILE  42          2HD1      ILE  42   6.462   9.038  -1.563
  296   3HD1  ILE  42          3HD1      ILE  42   4.930   9.264  -0.685
  297    HA   PRO  43           HA       PRO  43   1.149  11.359  -4.178
  298   1HB   PRO  43          1HB       PRO  43   0.822  13.516  -5.824
  299   2HB   PRO  43          2HB       PRO  43  -0.141  13.256  -4.382
  300   1HG   PRO  43          1HG       PRO  43   2.071  15.170  -4.814
  301   2HG   PRO  43          2HG       PRO  43   0.839  15.178  -3.568
  302   1HD   PRO  43          1HD       PRO  43   3.576  14.375  -3.270
  303   2HD   PRO  43          2HD       PRO  43   2.317  14.275  -2.056
  304    H    GLY  44           H        GLY  44   3.998  13.154  -5.121
  305   1HA   GLY  44          1HA       GLY  44   5.640  12.536  -6.551
  306   2HA   GLY  44          2HA       GLY  44   4.326  12.489  -7.710
  307    H    VAL  45           H        VAL  45   4.484  10.284  -4.900
  308    HA   VAL  45           HA       VAL  45   5.328   8.131  -6.699
  309    HB   VAL  45           HB       VAL  45   6.323   7.137  -4.933
  310   1HG1  VAL  45          1HG1      VAL  45   6.161  10.023  -4.003
  311   2HG1  VAL  45          2HG1      VAL  45   7.297   8.812  -3.360
  312   3HG1  VAL  45          3HG1      VAL  45   7.391   9.302  -5.069
  313   1HG2  VAL  45          1HG2      VAL  45   4.122   8.305  -3.218
  314   2HG2  VAL  45          2HG2      VAL  45   4.456   6.597  -3.592
  315   3HG2  VAL  45          3HG2      VAL  45   5.549   7.504  -2.519
  316    HA   PRO  46           HA       PRO  46   1.479   6.186  -6.367
  317   1HB   PRO  46          1HB       PRO  46   2.025   3.536  -5.983
  318   2HB   PRO  46          2HB       PRO  46   2.154   4.324  -7.542
  319   1HG   PRO  46          1HG       PRO  46   4.313   3.482  -5.706
  320   2HG   PRO  46          2HG       PRO  46   4.412   3.870  -7.412
  321   1HD   PRO  46          1HD       PRO  46   5.231   5.534  -5.224
  322   2HD   PRO  46          2HD       PRO  46   5.222   5.965  -6.922
  323    H    TRP  47           H        TRP  47   0.539   7.263  -4.628
  324    HA   TRP  47           HA       TRP  47   0.959   6.969  -2.040
  325   1HB   TRP  47          1HB       TRP  47  -1.540   7.254  -3.631
  326   2HB   TRP  47          2HB       TRP  47  -1.707   6.901  -1.923
  327    HD1  TRP  47           HD1      TRP  47   1.181   9.170  -3.083
  328    HE1  TRP  47           HE1      TRP  47   0.856  11.647  -2.231
  329    HE3  TRP  47           HE3      TRP  47  -3.522   8.488  -1.273
  330    HZ2  TRP  47           HZ2      TRP  47  -1.283  13.012  -0.926
  331    HZ3  TRP  47           HZ3      TRP  47  -4.658  10.444  -0.225
  332    HH2  TRP  47           HH2      TRP  47  -3.615  12.647  -0.036
  333    H    CYS  48           H        CYS  48  -1.025   4.658  -4.030
  334    HA   CYS  48           HA       CYS  48  -0.927   2.780  -1.822
  335   1HB   CYS  48          1HB       CYS  48  -3.026   3.347  -3.197
  336   2HB   CYS  48          2HB       CYS  48  -2.317   2.362  -4.462
  337    H    PHE  49           H        PHE  49   0.886   1.493  -1.739
  338    HA   PHE  49           HA       PHE  49   1.865   0.445  -4.294
  339   1HB   PHE  49          1HB       PHE  49   4.177   0.650  -3.086
  340   2HB   PHE  49          2HB       PHE  49   3.462   2.150  -3.640
  341    HD1  PHE  49           HD1      PHE  49   3.609  -0.019  -0.610
  342    HD2  PHE  49           HD2      PHE  49   3.262   3.917  -2.157
  343    HE1  PHE  49           HE1      PHE  49   3.748   0.908   1.719
  344    HE2  PHE  49           HE2      PHE  49   3.401   4.844   0.172
  345    HZ   PHE  49           HZ       PHE  49   3.642   3.329   2.082
  346    H    LYS  50           H        LYS  50   3.210  -1.577  -4.003
  347    HA   LYS  50           HA       LYS  50   1.816  -3.389  -2.373
  348   1HB   LYS  50          1HB       LYS  50   4.376  -3.592  -3.974
  349   2HB   LYS  50          2HB       LYS  50   3.695  -4.948  -3.098
  350   1HG   LYS  50          1HG       LYS  50   1.480  -3.932  -4.477
  351   2HG   LYS  50          2HG       LYS  50   2.788  -3.694  -5.620
  352   1HD   LYS  50          1HD       LYS  50   3.237  -6.283  -4.570
  353   2HD   LYS  50          2HD       LYS  50   1.498  -6.192  -4.770
  354   1HE   LYS  50          1HE       LYS  50   2.459  -5.023  -7.131
  355   2HE   LYS  50          2HE       LYS  50   3.619  -6.301  -6.828
  356   1HZ   LYS  50          1HZ       LYS  50   0.727  -6.768  -6.724
  357   2HZ   LYS  50          2HZ       LYS  50   1.593  -6.934  -8.099
  358   3HZ   LYS  50          3HZ       LYS  50   1.917  -7.883  -6.810
  359    HA   PRO  51           HA       PRO  51   4.053  -3.272   1.316
  360   1HB   PRO  51          1HB       PRO  51   4.094  -5.876   2.144
  361   2HB   PRO  51          2HB       PRO  51   2.694  -4.836   2.319
  362   1HG   PRO  51          1HG       PRO  51   3.146  -7.025   0.384
  363   2HG   PRO  51          2HG       PRO  51   1.636  -6.273   0.857
  364   1HD   PRO  51          1HD       PRO  51   3.089  -5.826  -1.576
  365   2HD   PRO  51          2HD       PRO  51   1.641  -4.989  -1.051
  366    H    LEU  52           H        LEU  52   6.090  -2.610   1.512
  367    HA   LEU  52           HA       LEU  52   8.144  -3.270  -0.001
  368   1HB   LEU  52          1HB       LEU  52   8.313  -1.621   1.707
  369   2HB   LEU  52          2HB       LEU  52   8.114  -2.811   2.978
  370    HG   LEU  52           HG       LEU  52  10.492  -2.664   1.104
  371   1HD1  LEU  52          1HD1      LEU  52   9.848  -1.062   3.375
  372   2HD1  LEU  52          2HD1      LEU  52  11.206  -2.130   3.806
  373   3HD1  LEU  52          3HD1      LEU  52  11.328  -1.063   2.386
  374   1HD2  LEU  52          1HD2      LEU  52   9.602  -4.642   3.088
  375   2HD2  LEU  52          2HD2      LEU  52  10.759  -4.793   1.744
  376   3HD2  LEU  52          3HD2      LEU  52  11.284  -4.098   3.297
  377    H    GLN  53           H        GLN  53   9.493  -4.965  -0.463
  378    HA   GLN  53           HA       GLN  53   8.668  -7.501   0.321
  379   1HB   GLN  53          1HB       GLN  53  10.798  -8.244  -0.830
  380   2HB   GLN  53          2HB       GLN  53   9.771  -7.209  -1.803
  381   1HG   GLN  53          1HG       GLN  53  11.735  -5.716  -0.148
  382   2HG   GLN  53          2HG       GLN  53  12.476  -6.785  -1.323
  383   2HE2  GLN  53          2HE2      GLN  53  11.229  -3.772  -0.794
  384   1HE2  GLN  53          1HE2      GLN  53  10.932  -3.247  -2.417
  385    H    GLU  54           H        GLU  54   8.641  -7.192   2.721
  386    HA   GLU  54           HA       GLU  54  10.839  -6.606   4.209
  387   1HB   GLU  54          1HB       GLU  54   9.685  -7.693   6.063
  388   2HB   GLU  54          2HB       GLU  54   8.505  -6.862   5.068
  389   1HG   GLU  54          1HG       GLU  54   7.376  -8.836   4.993
  390   2HG   GLU  54          2HG       GLU  54   8.610  -9.381   3.875
  391    H    ALA  55           H        ALA  55  12.835  -7.492   3.693
  392    HA   ALA  55           HA       ALA  55  13.133 -10.313   4.269
  393   1HB   ALA  55          1HB       ALA  55  12.801 -10.634   1.980
  394   2HB   ALA  55          2HB       ALA  55  14.567 -10.423   2.067
  395   3HB   ALA  55          3HB       ALA  55  13.533  -9.069   1.550
  396    H    GLU  56           H        GLU  56  15.036  -7.674   2.642
  397    HA   GLU  56           HA       GLU  56  16.754  -7.682   4.982
  398   1HB   GLU  56          1HB       GLU  56  17.523  -8.363   2.161
  399   2HB   GLU  56          2HB       GLU  56  18.649  -7.375   3.071
  400   1HG   GLU  56          1HG       GLU  56  17.663  -9.582   4.723
  401   2HG   GLU  56          2HG       GLU  56  18.332 -10.194   3.223
  402    H    CYS  57           H        CYS  57  18.643  -5.803   4.219
  403    HA   CYS  57           HA       CYS  57  17.275  -3.435   4.515
  404   1HB   CYS  57          1HB       CYS  57  20.068  -4.132   3.678
  405   2HB   CYS  57          2HB       CYS  57  19.531  -2.466   3.590
  406    H    THR  58           H        THR  58  16.767  -1.715   3.004
  407    HA   THR  58           HA       THR  58  15.728  -2.551   0.564
  408    HB   THR  58           HB       THR  58  15.505  -0.060   0.203
  409    HG1  THR  58           HG1      THR  58  17.333   0.848   1.131
  410   1HG2  THR  58          1HG2      THR  58  14.350  -1.540   2.295
  411   2HG2  THR  58          2HG2      THR  58  15.044  -0.125   3.123
  412   3HG2  THR  58          3HG2      THR  58  13.869   0.103   1.805
  413    H    PHE  59           H        PHE  59  18.726  -0.588   1.152
  414    HA   PHE  59           HA       PHE  59  19.513  -0.592  -1.509
  415   1HB   PHE  59          1HB       PHE  59  20.436   0.894   0.255
  416   2HB   PHE  59          2HB       PHE  59  20.988  -0.485   1.185
  417    HD1  PHE  59           HD1      PHE  59  21.457   1.029  -2.198
  418    HD2  PHE  59           HD2      PHE  59  23.217  -1.066   1.046
  419    HE1  PHE  59           HE1      PHE  59  23.696   1.167  -3.323
  420    HE2  PHE  59           HE2      PHE  59  25.456  -0.927  -0.079
  421    HZ   PHE  59           HZ       PHE  59  25.669   0.187  -2.251

  No H/Q in entry =         421
  Start of MODEL   10
    1    H    GLU   1           H        GLU   1  10.747 -13.096  18.553
    2    HA   GLU   1           HA       GLU   1  11.228 -12.552  16.034
    3   1HB   GLU   1          1HB       GLU   1   8.732 -13.749  17.278
    4   2HB   GLU   1          2HB       GLU   1   8.921 -13.677  15.537
    5   1HG   GLU   1          1HG       GLU   1  10.826 -15.108  15.553
    6   2HG   GLU   1          2HG       GLU   1  11.144 -14.827  17.253
    7    H    GLU   2           H        GLU   2   9.339 -11.997  14.264
    8    HA   GLU   2           HA       GLU   2   8.650  -9.266  14.922
    9   1HB   GLU   2          1HB       GLU   2   9.176 -10.801  12.405
   10   2HB   GLU   2          2HB       GLU   2   8.012  -9.496  12.286
   11   1HG   GLU   2          1HG       GLU   2   9.590  -7.842  12.774
   12   2HG   GLU   2          2HG       GLU   2  10.577  -8.913  13.749
   13    H    TYR   3           H        TYR   3   6.486  -8.630  13.436
   14    HA   TYR   3           HA       TYR   3   4.425 -10.431  14.501
   15   1HB   TYR   3          1HB       TYR   3   4.754  -7.879  15.118
   16   2HB   TYR   3          2HB       TYR   3   4.234  -7.538  13.479
   17    HD1  TYR   3           HD1      TYR   3   1.903  -8.049  12.768
   18    HD2  TYR   3           HD2      TYR   3   3.179  -8.548  16.821
   19    HE1  TYR   3           HE1      TYR   3  -0.521  -8.122  13.530
   20    HE2  TYR   3           HE2      TYR   3   0.750  -8.619  17.569
   21    HH   TYR   3           HH       TYR   3  -1.794  -9.030  15.394
   22    H    VAL   4           H        VAL   4   5.346  -8.408  11.639
   23    HA   VAL   4           HA       VAL   4   4.964  -8.722   9.477
   24    HB   VAL   4           HB       VAL   4   3.595 -11.327  10.150
   25   1HG1  VAL   4          1HG1      VAL   4   4.041  -9.977   7.719
   26   2HG1  VAL   4          2HG1      VAL   4   5.232 -11.299   7.763
   27   3HG1  VAL   4          3HG1      VAL   4   3.498 -11.656   7.945
   28   1HG2  VAL   4          1HG2      VAL   4   5.858 -11.112  11.246
   29   2HG2  VAL   4          2HG2      VAL   4   5.706 -12.451  10.082
   30   3HG2  VAL   4          3HG2      VAL   4   6.557 -10.959   9.616
   31    H    GLY   5           H        GLY   5   3.457  -6.883  10.502
   32   1HA   GLY   5          1HA       GLY   5   0.631  -7.513  10.335
   33   2HA   GLY   5          2HA       GLY   5   1.255  -6.551   9.010
   34    H    LEU   6           H        LEU   6   2.822  -6.294  12.170
   35    HA   LEU   6           HA       LEU   6   1.192  -4.132  13.073
   36   1HB   LEU   6          1HB       LEU   6   2.207  -4.464  15.014
   37   2HB   LEU   6          2HB       LEU   6   2.814  -5.933  14.276
   38    HG   LEU   6           HG       LEU   6   4.782  -4.305  13.501
   39   1HD1  LEU   6          1HD1      LEU   6   3.657  -2.978  15.978
   40   2HD1  LEU   6          2HD1      LEU   6   5.316  -2.732  15.380
   41   3HD1  LEU   6          3HD1      LEU   6   3.927  -2.255  14.374
   42   1HD2  LEU   6          1HD2      LEU   6   4.337  -6.024  15.852
   43   2HD2  LEU   6          2HD2      LEU   6   5.648  -6.028  14.647
   44   3HD2  LEU   6          3HD2      LEU   6   5.691  -4.879  16.006
   45    H    SER   7           H        SER   7   1.785  -1.899  13.233
   46    HA   SER   7           HA       SER   7   2.503  -0.029  12.393
   47   1HB   SER   7          1HB       SER   7   5.088  -0.023  11.803
   48   2HB   SER   7          2HB       SER   7   4.559  -0.186  13.465
   49    HG   SER   7           HG       SER   7   5.833  -2.049  11.794
   50    H    ALA   8           H        ALA   8   4.142   0.847  10.351
   51    HA   ALA   8           HA       ALA   8   2.826  -0.333   8.043
   52   1HB   ALA   8          1HB       ALA   8   4.376   1.844   7.221
   53   2HB   ALA   8          2HB       ALA   8   3.832   2.294   8.855
   54   3HB   ALA   8          3HB       ALA   8   2.638   1.870   7.605
   55    H    ASN   9           H        ASN   9   5.029  -1.726   9.565
   56    HA   ASN   9           HA       ASN   9   7.463  -1.529   8.499
   57   1HB   ASN   9          1HB       ASN   9   6.291  -3.319  10.143
   58   2HB   ASN   9          2HB       ASN   9   6.266  -4.304   8.694
   59   2HD2  ASN   9          2HD2      ASN   9   8.362  -2.323  10.748
   60   1HD2  ASN   9          1HD2      ASN   9   9.831  -3.205  10.494
   61    H    GLN  10           H        GLN  10   4.559  -3.192   7.117
   62    HA   GLN  10           HA       GLN  10   5.980  -4.134   4.859
   63   1HB   GLN  10          1HB       GLN  10   2.991  -3.879   4.798
   64   2HB   GLN  10          2HB       GLN  10   4.004  -5.216   4.291
   65   1HG   GLN  10          1HG       GLN  10   3.300  -6.187   6.243
   66   2HG   GLN  10          2HG       GLN  10   4.556  -5.209   6.976
   67   2HE2  GLN  10          2HE2      GLN  10   3.575  -4.925   8.912
   68   1HE2  GLN  10          1HE2      GLN  10   2.142  -3.985   9.164
   69    H    CYS  11           H        CYS  11   4.180  -1.210   5.734
   70    HA   CYS  11           HA       CYS  11   4.426  -0.305   2.960
   71   1HB   CYS  11          1HB       CYS  11   2.745   1.208   4.884
   72   2HB   CYS  11          2HB       CYS  11   2.531   0.934   3.166
   73    H    ALA  12           H        ALA  12   6.756  -0.399   4.525
   74    HA   ALA  12           HA       ALA  12   7.084   2.406   5.348
   75   1HB   ALA  12          1HB       ALA  12   9.095   1.343   6.626
   76   2HB   ALA  12          2HB       ALA  12   7.454   1.113   7.276
   77   3HB   ALA  12          3HB       ALA  12   8.242  -0.197   6.364
   78    H    VAL  13           H        VAL  13   7.145   2.159   2.689
   79    HA   VAL  13           HA       VAL  13   9.894   1.570   1.916
   80    HB   VAL  13           HB       VAL  13   7.947   2.482  -0.098
   81   1HG1  VAL  13          1HG1      VAL  13  10.227   0.647   0.164
   82   2HG1  VAL  13          2HG1      VAL  13   8.898  -0.006  -0.824
   83   3HG1  VAL  13          3HG1      VAL  13   9.640   1.556  -1.249
   84   1HG2  VAL  13          1HG2      VAL  13   7.406   0.093   1.655
   85   2HG2  VAL  13          2HG2      VAL  13   6.279   1.326   1.040
   86   3HG2  VAL  13          3HG2      VAL  13   6.924   0.083  -0.058
   87    HA   PRO  14           HA       PRO  14  10.900   5.770   1.753
   88   1HB   PRO  14          1HB       PRO  14  12.986   5.751  -0.013
   89   2HB   PRO  14          2HB       PRO  14  13.153   5.302   1.672
   90   1HG   PRO  14          1HG       PRO  14  13.091   3.557  -0.713
   91   2HG   PRO  14          2HG       PRO  14  13.671   3.191   0.899
   92   1HD   PRO  14          1HD       PRO  14  11.185   2.353  -0.260
   93   2HD   PRO  14          2HD       PRO  14  11.715   2.086   1.389
   94    H    ALA  15           H        ALA  15   9.227   4.297  -0.569
   95    HA   ALA  15           HA       ALA  15   7.800   5.254  -2.021
   96   1HB   ALA  15          1HB       ALA  15   8.667   7.501  -0.693
   97   2HB   ALA  15          2HB       ALA  15   7.484   7.502  -2.023
   98   3HB   ALA  15          3HB       ALA  15   9.199   7.841  -2.358
   99    H    LYS  16           H        LYS  16  11.289   5.244  -2.194
  100    HA   LYS  16           HA       LYS  16  11.256   5.455  -5.092
  101   1HB   LYS  16          1HB       LYS  16  13.696   5.445  -4.889
  102   2HB   LYS  16          2HB       LYS  16  12.971   6.689  -3.892
  103   1HG   LYS  16          1HG       LYS  16  14.684   5.576  -2.571
  104   2HG   LYS  16          2HG       LYS  16  13.123   5.142  -1.903
  105   1HD   LYS  16          1HD       LYS  16  13.247   2.934  -2.657
  106   2HD   LYS  16          2HD       LYS  16  14.240   3.343  -4.041
  107   1HE   LYS  16          1HE       LYS  16  16.217   3.194  -2.851
  108   2HE   LYS  16          2HE       LYS  16  15.513   3.847  -1.385
  109   1HZ   LYS  16          1HZ       LYS  16  14.331   1.695  -1.173
  110   2HZ   LYS  16          2HZ       LYS  16  15.225   1.113  -2.410
  111   3HZ   LYS  16          3HZ       LYS  16  15.954   1.584  -1.026
  112    H    ASP  17           H        ASP  17  10.330   3.141  -3.007
  113    HA   ASP  17           HA       ASP  17  11.451   1.069  -4.719
  114   1HB   ASP  17          1HB       ASP  17  11.762   1.389  -1.871
  115   2HB   ASP  17          2HB       ASP  17  10.725   0.000  -2.128
  116    H    ARG  18           H        ARG  18   8.853   2.741  -4.562
  117    HA   ARG  18           HA       ARG  18   6.889   0.970  -3.590
  118   1HB   ARG  18          1HB       ARG  18   6.437   3.258  -5.557
  119   2HB   ARG  18          2HB       ARG  18   5.295   2.614  -4.394
  120   1HG   ARG  18          1HG       ARG  18   7.924   3.782  -3.432
  121   2HG   ARG  18          2HG       ARG  18   6.600   4.851  -3.849
  122   1HD   ARG  18          1HD       ARG  18   5.329   2.929  -2.272
  123   2HD   ARG  18          2HD       ARG  18   6.901   3.054  -1.508
  124    HE   ARG  18           HE       ARG  18   5.573   5.624  -2.135
  125   1HH1  ARG  18          1HH1      ARG  18   6.268   3.161   0.281
  126   2HH1  ARG  18          2HH1      ARG  18   5.921   4.199   1.624
  127   1HH2  ARG  18          1HH2      ARG  18   5.115   6.993  -0.363
  128   2HH2  ARG  18          2HH2      ARG  18   5.261   6.393   1.255
  129    H    VAL  19           H        VAL  19   5.572  -0.500  -4.750
  130    HA   VAL  19           HA       VAL  19   6.512  -1.075  -7.453
  131    HB   VAL  19           HB       VAL  19   4.731  -2.706  -5.637
  132   1HG1  VAL  19          1HG1      VAL  19   5.835  -3.062  -8.350
  133   2HG1  VAL  19          2HG1      VAL  19   6.077  -4.452  -7.264
  134   3HG1  VAL  19          3HG1      VAL  19   4.435  -3.833  -7.567
  135   1HG2  VAL  19          1HG2      VAL  19   7.743  -2.605  -5.876
  136   2HG2  VAL  19          2HG2      VAL  19   6.734  -2.516  -4.412
  137   3HG2  VAL  19          3HG2      VAL  19   6.890  -4.055  -5.293
  138    H    ASP  20           H        ASP  20   4.189   0.799  -5.936
  139    HA   ASP  20           HA       ASP  20   2.257   1.624  -6.492
  140   1HB   ASP  20          1HB       ASP  20   3.341   2.613  -8.371
  141   2HB   ASP  20          2HB       ASP  20   3.495   1.080  -9.206
  142    H    CYS  21           H        CYS  21   0.639   0.184  -5.738
  143    HA   CYS  21           HA       CYS  21   0.178  -2.309  -6.982
  144   1HB   CYS  21          1HB       CYS  21  -0.387  -1.276  -4.548
  145   2HB   CYS  21          2HB       CYS  21  -1.954  -1.102  -5.313
  146    H    GLY  22           H        GLY  22  -0.841   1.017  -7.496
  147   1HA   GLY  22          1HA       GLY  22  -2.140   0.401  -9.935
  148   2HA   GLY  22          2HA       GLY  22  -2.088   1.953  -9.121
  149    H    TYR  23           H        TYR  23  -3.780   2.587  -7.685
  150    HA   TYR  23           HA       TYR  23  -6.186   0.947  -7.986
  151   1HB   TYR  23          1HB       TYR  23  -4.662   1.879  -5.529
  152   2HB   TYR  23          2HB       TYR  23  -6.410   1.959  -5.430
  153    HD1  TYR  23           HD1      TYR  23  -7.672  -0.273  -6.164
  154    HD2  TYR  23           HD2      TYR  23  -3.598  -0.083  -4.872
  155    HE1  TYR  23           HE1      TYR  23  -7.744  -2.739  -5.550
  156    HE2  TYR  23           HE2      TYR  23  -3.684  -2.550  -4.262
  157    HH   TYR  23           HH       TYR  23  -4.832  -4.426  -4.520
  158    HA   PRO  24           HA       PRO  24  -7.959   4.825  -8.732
  159   1HB   PRO  24          1HB       PRO  24 -10.608   4.248  -8.394
  160   2HB   PRO  24          2HB       PRO  24  -9.727   3.876  -9.862
  161   1HG   PRO  24          1HG       PRO  24 -10.607   2.045  -7.714
  162   2HG   PRO  24          2HG       PRO  24 -10.117   1.660  -9.352
  163   1HD   PRO  24          1HD       PRO  24  -8.559   1.312  -6.969
  164   2HD   PRO  24          2HD       PRO  24  -8.030   1.037  -8.617
  165    H    HIS  25           H        HIS  25 -10.169   3.633  -6.272
  166    HA   HIS  25           HA       HIS  25  -9.810   6.145  -4.904
  167   1HB   HIS  25          1HB       HIS  25 -11.717   5.498  -3.598
  168   2HB   HIS  25          2HB       HIS  25 -12.058   5.203  -5.292
  169    HD1  HIS  25           HD1      HIS  25 -13.825   3.689  -3.462
  170    HD2  HIS  25           HD2      HIS  25 -10.057   2.217  -4.573
  171    HE1  HIS  25           HE1      HIS  25 -13.904   1.166  -3.089
  172    HE2  HIS  25           HE2      HIS  25 -11.581   0.311  -3.840
  173    H    VAL  26           H        VAL  26  -7.576   5.885  -4.235
  174    HA   VAL  26           HA       VAL  26  -7.076   3.709  -2.370
  175    HB   VAL  26           HB       VAL  26  -4.752   4.604  -2.451
  176   1HG1  VAL  26          1HG1      VAL  26  -6.045   3.894  -5.106
  177   2HG1  VAL  26          2HG1      VAL  26  -4.298   3.844  -4.770
  178   3HG1  VAL  26          3HG1      VAL  26  -5.405   2.760  -3.893
  179   1HG2  VAL  26          1HG2      VAL  26  -5.525   6.960  -3.079
  180   2HG2  VAL  26          2HG2      VAL  26  -4.101   6.325  -3.938
  181   3HG2  VAL  26          3HG2      VAL  26  -5.689   6.346  -4.742
  182    H    THR  27           H        THR  27  -6.838   3.974  -0.165
  183    HA   THR  27           HA       THR  27  -6.649   6.648   0.923
  184    HB   THR  27           HB       THR  27  -8.775   6.682   1.966
  185    HG1  THR  27           HG1      THR  27  -9.934   4.569   2.139
  186   1HG2  THR  27          1HG2      THR  27  -9.210   5.033  -0.581
  187   2HG2  THR  27          2HG2      THR  27 -10.502   5.852   0.329
  188   3HG2  THR  27          3HG2      THR  27  -9.233   6.810  -0.472
  189    HA   PRO  28           HA       PRO  28  -4.672   4.577   4.122
  190   1HB   PRO  28          1HB       PRO  28  -5.369   5.928   6.393
  191   2HB   PRO  28          2HB       PRO  28  -4.176   6.520   5.254
  192   1HG   PRO  28          1HG       PRO  28  -6.956   7.435   5.668
  193   2HG   PRO  28          2HG       PRO  28  -5.637   8.261   4.864
  194   1HD   PRO  28          1HD       PRO  28  -7.842   6.922   3.610
  195   2HD   PRO  28          2HD       PRO  28  -6.464   7.648   2.808
  196    H    LYS  29           H        LYS  29  -7.000   3.250   3.274
  197    HA   LYS  29           HA       LYS  29  -7.217   1.397   5.326
  198   1HB   LYS  29          1HB       LYS  29  -8.505   3.497   6.260
  199   2HB   LYS  29          2HB       LYS  29  -9.786   2.946   5.199
  200   1HG   LYS  29          1HG       LYS  29  -8.466   0.863   6.920
  201   2HG   LYS  29          2HG       LYS  29  -9.487   2.029   7.737
  202   1HD   LYS  29          1HD       LYS  29 -11.434   1.310   6.651
  203   2HD   LYS  29          2HD       LYS  29 -10.570   0.755   5.231
  204   1HE   LYS  29          1HE       LYS  29 -10.824  -1.340   6.098
  205   2HE   LYS  29          2HE       LYS  29  -9.527  -0.909   7.194
  206   1HZ   LYS  29          1HZ       LYS  29 -12.321  -0.278   7.803
  207   2HZ   LYS  29          2HZ       LYS  29 -11.653  -1.710   8.210
  208   3HZ   LYS  29          3HZ       LYS  29 -11.053  -0.324   8.830
  209    H    GLU  30           H        GLU  30  -8.834   3.080   2.586
  210    HA   GLU  30           HA       GLU  30 -10.144   0.707   1.766
  211   1HB   GLU  30          1HB       GLU  30 -11.050   2.977   1.306
  212   2HB   GLU  30          2HB       GLU  30  -9.669   3.334   0.288
  213   1HG   GLU  30          1HG       GLU  30 -10.913   2.518  -1.436
  214   2HG   GLU  30          2HG       GLU  30 -10.565   0.928  -0.787
  215    H    CYS  31           H        CYS  31  -7.145   2.479   0.881
  216    HA   CYS  31           HA       CYS  31  -6.593   0.853  -1.363
  217   1HB   CYS  31          1HB       CYS  31  -5.536   2.867  -1.530
  218   2HB   CYS  31          2HB       CYS  31  -5.170   2.958   0.182
  219    H    ASN  32           H        ASN  32  -6.076   0.695   2.144
  220    HA   ASN  32           HA       ASN  32  -4.200  -1.470   1.827
  221   1HB   ASN  32          1HB       ASN  32  -3.531  -0.950   3.971
  222   2HB   ASN  32          2HB       ASN  32  -4.424   0.535   3.716
  223   2HD2  ASN  32          2HD2      ASN  32  -3.888  -1.626   5.941
  224   1HD2  ASN  32          1HD2      ASN  32  -5.418  -1.772   6.739
  225    H    ASN  33           H        ASN  33  -7.476  -1.121   1.578
  226    HA   ASN  33           HA       ASN  33  -8.106  -3.445   3.197
  227   1HB   ASN  33          1HB       ASN  33  -9.694  -1.693   3.592
  228   2HB   ASN  33          2HB       ASN  33  -9.758  -1.243   1.899
  229   2HD2  ASN  33          2HD2      ASN  33 -12.011  -1.381   1.959
  230   1HD2  ASN  33          1HD2      ASN  33 -12.855  -2.892   1.901
  231    H    ARG  34           H        ARG  34  -8.261  -2.032  -0.129
  232    HA   ARG  34           HA       ARG  34  -9.602  -4.061  -1.363
  233   1HB   ARG  34          1HB       ARG  34  -8.522  -1.689  -2.170
  234   2HB   ARG  34          2HB       ARG  34  -7.329  -2.772  -2.858
  235   1HG   ARG  34          1HG       ARG  34 -10.337  -3.042  -3.313
  236   2HG   ARG  34          2HG       ARG  34  -9.251  -2.224  -4.418
  237   1HD   ARG  34          1HD       ARG  34  -7.884  -4.518  -4.299
  238   2HD   ARG  34          2HD       ARG  34  -9.417  -5.175  -3.763
  239    HE   ARG  34           HE       ARG  34  -9.695  -3.513  -6.148
  240   1HH1  ARG  34          1HH1      ARG  34  -8.899  -6.740  -4.993
  241   2HH1  ARG  34          2HH1      ARG  34  -9.318  -7.515  -6.485
  242   1HH2  ARG  34          1HH2      ARG  34 -10.247  -4.535  -8.116
  243   2HH2  ARG  34          2HH2      ARG  34 -10.090  -6.253  -8.273
  244    H    GLY  35           H        GLY  35  -6.263  -3.864  -0.204
  245   1HA   GLY  35          1HA       GLY  35  -5.689  -6.485  -1.453
  246   2HA   GLY  35          2HA       GLY  35  -5.307  -6.109   0.215
  247    H    CYS  36           H        CYS  36  -3.830  -4.160   0.607
  248    HA   CYS  36           HA       CYS  36  -1.446  -4.494  -0.627
  249   1HB   CYS  36          1HB       CYS  36  -3.161  -3.157  -2.423
  250   2HB   CYS  36          2HB       CYS  36  -2.068  -1.935  -1.805
  251    H    CYS  37           H        CYS  37  -0.559  -1.683  -0.649
  252    HA   CYS  37           HA       CYS  37  -1.190  -0.977   2.125
  253   1HB   CYS  37          1HB       CYS  37   1.427  -1.204   0.713
  254   2HB   CYS  37          2HB       CYS  37   1.239   0.093   1.876
  255    H    PHE  38           H        PHE  38  -1.187   1.372   2.559
  256    HA   PHE  38           HA       PHE  38  -1.561   2.923   0.093
  257   1HB   PHE  38          1HB       PHE  38  -3.657   2.585   1.372
  258   2HB   PHE  38          2HB       PHE  38  -2.854   2.975   2.879
  259    HD1  PHE  38           HD1      PHE  38  -4.043   4.408  -0.314
  260    HD2  PHE  38           HD2      PHE  38  -2.664   5.219   3.617
  261    HE1  PHE  38           HE1      PHE  38  -4.736   6.807  -0.566
  262    HE2  PHE  38           HE2      PHE  38  -3.358   7.618   3.365
  263    HZ   PHE  38           HZ       PHE  38  -4.386   8.383   1.277
  264    H    ASP  39           H        ASP  39  -1.381   5.428   0.657
  265    HA   ASP  39           HA       ASP  39   0.203   6.214   2.765
  266   1HB   ASP  39          1HB       ASP  39   2.005   4.919   1.689
  267   2HB   ASP  39          2HB       ASP  39   1.706   5.713   0.155
  268    H    SER  40           H        SER  40   0.464   8.563   2.678
  269    HA   SER  40           HA       SER  40  -0.392   9.788   0.189
  270   1HB   SER  40          1HB       SER  40  -1.933  11.282   1.342
  271   2HB   SER  40          2HB       SER  40  -2.370   9.626   1.712
  272    HG   SER  40           HG       SER  40  -2.393  10.823   3.652
  273    H    ARG  41           H        ARG  41   2.155   9.352   1.959
  274    HA   ARG  41           HA       ARG  41   2.840  11.743   3.112
  275   1HB   ARG  41          1HB       ARG  41   4.024   9.300   2.914
  276   2HB   ARG  41          2HB       ARG  41   4.986  10.150   1.722
  277   1HG   ARG  41          1HG       ARG  41   4.582  11.673   4.243
  278   2HG   ARG  41          2HG       ARG  41   5.455  10.169   4.459
  279   1HD   ARG  41          1HD       ARG  41   6.537  11.380   2.102
  280   2HD   ARG  41          2HD       ARG  41   6.390  12.665   3.284
  281    HE   ARG  41           HE       ARG  41   8.070  11.653   4.565
  282   1HH1  ARG  41          1HH1      ARG  41   6.832   9.324   2.236
  283   2HH1  ARG  41          2HH1      ARG  41   8.041   8.135   2.590
  284   1HH2  ARG  41          1HH2      ARG  41   9.666  10.085   5.032
  285   2HH2  ARG  41          2HH2      ARG  41   9.664   8.571   4.191
  286    H    ILE  42           H        ILE  42   3.363  10.490  -0.248
  287    HA   ILE  42           HA       ILE  42   3.569  13.234  -1.164
  288    HB   ILE  42           HB       ILE  42   5.587  12.098  -2.605
  289   1HG1  ILE  42          1HG1      ILE  42   7.147  11.097  -0.959
  290   2HG1  ILE  42          2HG1      ILE  42   5.872  11.098   0.244
  291   1HG2  ILE  42          1HG2      ILE  42   5.375  14.012  -0.349
  292   2HG2  ILE  42          2HG2      ILE  42   7.003  13.398  -0.725
  293   3HG2  ILE  42          3HG2      ILE  42   6.049  14.221  -1.983
  294   1HD1  ILE  42          1HD1      ILE  42   5.104   9.861  -2.352
  295   2HD1  ILE  42          2HD1      ILE  42   6.383   9.004  -1.458
  296   3HD1  ILE  42          3HD1      ILE  42   4.804   9.299  -0.690
  297    HA   PRO  43           HA       PRO  43   1.140  11.348  -4.218
  298   1HB   PRO  43          1HB       PRO  43   0.803  13.502  -5.866
  299   2HB   PRO  43          2HB       PRO  43  -0.167  13.231  -4.432
  300   1HG   PRO  43          1HG       PRO  43   2.028  15.168  -4.846
  301   2HG   PRO  43          2HG       PRO  43   0.786  15.164  -3.609
  302   1HD   PRO  43          1HD       PRO  43   3.529  14.388  -3.291
  303   2HD   PRO  43          2HD       PRO  43   2.262  14.274  -2.086
  304    H    GLY  44           H        GLY  44   3.975  13.177  -5.143
  305   1HA   GLY  44          1HA       GLY  44   5.635  12.574  -6.558
  306   2HA   GLY  44          2HA       GLY  44   4.331  12.517  -7.728
  307    H    VAL  45           H        VAL  45   4.445  10.304  -4.929
  308    HA   VAL  45           HA       VAL  45   5.338   8.163  -6.721
  309    HB   VAL  45           HB       VAL  45   6.334   7.179  -4.953
  310   1HG1  VAL  45          1HG1      VAL  45   6.123  10.064  -4.037
  311   2HG1  VAL  45          2HG1      VAL  45   7.243   8.870  -3.339
  312   3HG1  VAL  45          3HG1      VAL  45   7.394   9.337  -5.050
  313   1HG2  VAL  45          1HG2      VAL  45   4.090   8.296  -3.260
  314   2HG2  VAL  45          2HG2      VAL  45   4.473   6.597  -3.629
  315   3HG2  VAL  45          3HG2      VAL  45   5.528   7.531  -2.541
  316    HA   PRO  46           HA       PRO  46   1.500   6.189  -6.423
  317   1HB   PRO  46          1HB       PRO  46   2.063   3.542  -6.043
  318   2HB   PRO  46          2HB       PRO  46   2.198   4.337  -7.599
  319   1HG   PRO  46          1HG       PRO  46   4.350   3.505  -5.751
  320   2HG   PRO  46          2HG       PRO  46   4.458   3.899  -7.455
  321   1HD   PRO  46          1HD       PRO  46   5.249   5.561  -5.255
  322   2HD   PRO  46          2HD       PRO  46   5.249   5.998  -6.952
  323    H    TRP  47           H        TRP  47   0.554   7.264  -4.681
  324    HA   TRP  47           HA       TRP  47   0.954   6.962  -2.094
  325   1HB   TRP  47          1HB       TRP  47  -1.542   7.224  -3.697
  326   2HB   TRP  47          2HB       TRP  47  -1.709   6.878  -1.987
  327    HD1  TRP  47           HD1      TRP  47   1.167   9.162  -3.142
  328    HE1  TRP  47           HE1      TRP  47   0.819  11.641  -2.307
  329    HE3  TRP  47           HE3      TRP  47  -3.544   8.457  -1.363
  330    HZ2  TRP  47           HZ2      TRP  47  -1.339  12.998  -1.025
  331    HZ3  TRP  47           HZ3      TRP  47  -4.701  10.411  -0.335
  332    HH2  TRP  47           HH2      TRP  47  -3.674  12.622  -0.151
  333    H    CYS  48           H        CYS  48  -1.014   4.645  -4.093
  334    HA   CYS  48           HA       CYS  48  -0.916   2.762  -1.892
  335   1HB   CYS  48          1HB       CYS  48  -2.992   3.330  -3.336
  336   2HB   CYS  48          2HB       CYS  48  -2.261   2.289  -4.541
  337    H    PHE  49           H        PHE  49   0.869   1.444  -1.789
  338    HA   PHE  49           HA       PHE  49   1.894   0.413  -4.329
  339   1HB   PHE  49          1HB       PHE  49   4.197   0.647  -3.112
  340   2HB   PHE  49          2HB       PHE  49   3.470   2.139  -3.677
  341    HD1  PHE  49           HD1      PHE  49   3.620  -0.015  -0.636
  342    HD2  PHE  49           HD2      PHE  49   3.252   3.911  -2.203
  343    HE1  PHE  49           HE1      PHE  49   3.740   0.924   1.689
  344    HE2  PHE  49           HE2      PHE  49   3.371   4.850   0.122
  345    HZ   PHE  49           HZ       PHE  49   3.614   3.345   2.040
  346    H    LYS  50           H        LYS  50   3.272  -1.589  -4.006
  347    HA   LYS  50           HA       LYS  50   1.879  -3.397  -2.356
  348   1HB   LYS  50          1HB       LYS  50   4.470  -3.654  -3.910
  349   2HB   LYS  50          2HB       LYS  50   3.665  -4.989  -3.111
  350   1HG   LYS  50          1HG       LYS  50   1.553  -3.951  -4.517
  351   2HG   LYS  50          2HG       LYS  50   2.870  -3.495  -5.580
  352   1HD   LYS  50          1HD       LYS  50   3.468  -6.158  -4.863
  353   2HD   LYS  50          2HD       LYS  50   1.727  -6.158  -5.068
  354   1HE   LYS  50          1HE       LYS  50   2.611  -4.643  -7.255
  355   2HE   LYS  50          2HE       LYS  50   3.855  -5.867  -7.101
  356   1HZ   LYS  50          1HZ       LYS  50   1.553  -7.236  -6.769
  357   2HZ   LYS  50          2HZ       LYS  50   1.164  -6.156  -7.930
  358   3HZ   LYS  50          3HZ       LYS  50   2.428  -7.167  -8.146
  359    HA   PRO  51           HA       PRO  51   4.157  -3.245   1.306
  360   1HB   PRO  51          1HB       PRO  51   4.227  -5.843   2.150
  361   2HB   PRO  51          2HB       PRO  51   2.821  -4.813   2.334
  362   1HG   PRO  51          1HG       PRO  51   3.269  -7.011   0.408
  363   2HG   PRO  51          2HG       PRO  51   1.758  -6.267   0.892
  364   1HD   PRO  51          1HD       PRO  51   3.180  -5.825  -1.559
  365   2HD   PRO  51          2HD       PRO  51   1.732  -4.996  -1.023
  366    H    LEU  52           H        LEU  52   6.193  -2.599   1.543
  367    HA   LEU  52           HA       LEU  52   8.243  -3.205   0.004
  368   1HB   LEU  52          1HB       LEU  52   8.462  -1.610   1.730
  369   2HB   LEU  52          2HB       LEU  52   8.185  -2.801   2.985
  370    HG   LEU  52           HG       LEU  52  10.599  -2.912   1.171
  371   1HD1  LEU  52          1HD1      LEU  52  10.458  -0.712   2.364
  372   2HD1  LEU  52          2HD1      LEU  52  10.511  -1.608   3.901
  373   3HD1  LEU  52          3HD1      LEU  52  11.885  -1.695   2.772
  374   1HD2  LEU  52          1HD2      LEU  52   9.601  -4.465   3.460
  375   2HD2  LEU  52          2HD2      LEU  52  10.750  -4.908   2.175
  376   3HD2  LEU  52          3HD2      LEU  52  11.309  -3.980   3.587
  377    H    GLN  53           H        GLN  53   9.701  -4.843  -0.429
  378    HA   GLN  53           HA       GLN  53   8.881  -7.416   0.023
  379   1HB   GLN  53          1HB       GLN  53  11.365  -6.091  -0.981
  380   2HB   GLN  53          2HB       GLN  53  11.549  -7.756  -0.467
  381   1HG   GLN  53          1HG       GLN  53  10.782  -8.316  -2.537
  382   2HG   GLN  53          2HG       GLN  53   9.194  -7.886  -1.933
  383   2HE2  GLN  53          2HE2      GLN  53   8.746  -5.454  -1.953
  384   1HE2  GLN  53          1HE2      GLN  53   9.144  -4.599  -3.406
  385    H    GLU  54           H        GLU  54   8.403  -7.738   2.268
  386    HA   GLU  54           HA       GLU  54  10.270  -7.180   4.260
  387   1HB   GLU  54          1HB       GLU  54   8.785  -8.603   5.693
  388   2HB   GLU  54          2HB       GLU  54   7.904  -7.391   4.785
  389   1HG   GLU  54          1HG       GLU  54   8.124  -9.792   3.168
  390   2HG   GLU  54          2HG       GLU  54   7.525 -10.234   4.754
  391    H    ALA  55           H        ALA  55  12.320  -8.059   3.652
  392    HA   ALA  55           HA       ALA  55  12.422 -10.986   3.888
  393   1HB   ALA  55          1HB       ALA  55  14.147 -11.032   2.179
  394   2HB   ALA  55          2HB       ALA  55  12.724 -10.187   1.524
  395   3HB   ALA  55          3HB       ALA  55  14.140  -9.256   2.065
  396    H    GLU  56           H        GLU  56  13.939 -11.765   5.326
  397    HA   GLU  56           HA       GLU  56  16.048 -10.013   6.157
  398   1HB   GLU  56          1HB       GLU  56  14.161  -9.356   7.645
  399   2HB   GLU  56          2HB       GLU  56  13.982 -11.020   8.163
  400   1HG   GLU  56          1HG       GLU  56  16.766 -10.125   8.434
  401   2HG   GLU  56          2HG       GLU  56  15.676  -9.065   9.306
  402    H    CYS  57           H        CYS  57  17.833 -11.302   6.079
  403    HA   CYS  57           HA       CYS  57  19.124 -13.074   6.157
  404   1HB   CYS  57          1HB       CYS  57  18.990 -13.077   8.476
  405   2HB   CYS  57          2HB       CYS  57  17.318 -13.600   8.493
  406    H    THR  58           H        THR  58  18.794 -14.049   4.134
  407    HA   THR  58           HA       THR  58  17.043 -16.379   4.150
  408    HB   THR  58           HB       THR  58  15.599 -14.596   3.262
  409    HG1  THR  58           HG1      THR  58  16.912 -16.025   1.067
  410   1HG2  THR  58          1HG2      THR  58  17.456 -13.020   2.524
  411   2HG2  THR  58          2HG2      THR  58  17.807 -14.142   1.188
  412   3HG2  THR  58          3HG2      THR  58  16.235 -13.310   1.262
  413    H    PHE  59           H        PHE  59  19.446 -14.376   2.340
  414    HA   PHE  59           HA       PHE  59  20.267 -16.470   0.678
  415   1HB   PHE  59          1HB       PHE  59  20.683 -13.996   0.366
  416   2HB   PHE  59          2HB       PHE  59  21.685 -13.979   1.803
  417    HD1  PHE  59           HD1      PHE  59  21.515 -16.067  -1.299
  418    HD2  PHE  59           HD2      PHE  59  23.926 -13.791   1.349
  419    HE1  PHE  59           HE1      PHE  59  23.535 -16.576  -2.700
  420    HE2  PHE  59           HE2      PHE  59  25.945 -14.299  -0.052
  421    HZ   PHE  59           HZ       PHE  59  25.726 -15.686  -2.060

  No H/Q in entry =         421
  Start of MODEL   11
    1    H    GLU   1           H        GLU   1   4.594 -19.119  14.523
    2    HA   GLU   1           HA       GLU   1   5.448 -17.125  16.406
    3   1HB   GLU   1          1HB       GLU   1   6.797 -18.954  17.378
    4   2HB   GLU   1          2HB       GLU   1   5.130 -19.450  17.165
    5   1HG   GLU   1          1HG       GLU   1   5.741 -21.142  15.782
    6   2HG   GLU   1          2HG       GLU   1   6.610 -20.039  14.734
    7    H    GLU   2           H        GLU   2   6.103 -15.859  14.260
    8    HA   GLU   2           HA       GLU   2   8.948 -16.294  14.025
    9   1HB   GLU   2          1HB       GLU   2   7.407 -17.307  12.043
   10   2HB   GLU   2          2HB       GLU   2   7.518 -15.657  11.464
   11   1HG   GLU   2          1HG       GLU   2   9.976 -15.748  11.502
   12   2HG   GLU   2          2HG       GLU   2   9.947 -17.328  12.259
   13    H    TYR   3           H        TYR   3   6.333 -14.265  12.500
   14    HA   TYR   3           HA       TYR   3   7.088 -11.954  13.951
   15   1HB   TYR   3          1HB       TYR   3   8.167 -10.770  12.082
   16   2HB   TYR   3          2HB       TYR   3   8.981 -12.316  12.217
   17    HD1  TYR   3           HD1      TYR   3   8.631 -14.079  10.532
   18    HD2  TYR   3           HD2      TYR   3   6.744 -10.256  10.170
   19    HE1  TYR   3           HE1      TYR   3   8.104 -14.562   8.093
   20    HE2  TYR   3           HE2      TYR   3   6.223 -10.753   7.732
   21    HH   TYR   3           HH       TYR   3   7.534 -12.487   5.929
   22    H    VAL   4           H        VAL   4   5.995  -9.921  12.846
   23    HA   VAL   4           HA       VAL   4   3.958 -10.318  10.985
   24    HB   VAL   4           HB       VAL   4   2.903 -11.714  12.619
   25   1HG1  VAL   4          1HG1      VAL   4   4.181 -10.204  14.521
   26   2HG1  VAL   4          2HG1      VAL   4   2.495  -9.659  14.693
   27   3HG1  VAL   4          3HG1      VAL   4   2.892 -11.388  14.848
   28   1HG2  VAL   4          1HG2      VAL   4   1.732  -9.020  12.067
   29   2HG2  VAL   4          2HG2      VAL   4   1.186 -10.635  11.556
   30   3HG2  VAL   4          3HG2      VAL   4   0.885 -10.079  13.219
   31    H    GLY   5           H        GLY   5   4.406  -8.347  10.091
   32   1HA   GLY   5          1HA       GLY   5   4.872  -6.127   9.987
   33   2HA   GLY   5          2HA       GLY   5   4.993  -6.060  11.734
   34    H    LEU   6           H        LEU   6   3.287  -5.256  12.944
   35    HA   LEU   6           HA       LEU   6   0.808  -4.756  11.446
   36   1HB   LEU   6          1HB       LEU   6  -0.304  -4.814  13.677
   37   2HB   LEU   6          2HB       LEU   6   0.305  -6.349  13.090
   38    HG   LEU   6           HG       LEU   6   2.367  -5.186  14.673
   39   1HD1  LEU   6          1HD1      LEU   6  -0.384  -4.962  15.894
   40   2HD1  LEU   6          2HD1      LEU   6   1.087  -5.147  16.880
   41   3HD1  LEU   6          3HD1      LEU   6   0.906  -3.738  15.807
   42   1HD2  LEU   6          1HD2      LEU   6   1.951  -7.587  14.274
   43   2HD2  LEU   6          2HD2      LEU   6   2.109  -7.193  16.003
   44   3HD2  LEU   6          3HD2      LEU   6   0.500  -7.490  15.301
   45    H    SER   7           H        SER   7   1.938  -2.792  10.644
   46    HA   SER   7           HA       SER   7   1.152  -0.592  12.110
   47   1HB   SER   7          1HB       SER   7   3.572   0.352  12.445
   48   2HB   SER   7          2HB       SER   7   2.919  -0.747  13.643
   49    HG   SER   7           HG       SER   7   4.076  -2.295  11.773
   50    H    ALA   8           H        ALA   8   4.353  -0.564  10.525
   51    HA   ALA   8           HA       ALA   8   3.101   0.208   7.998
   52   1HB   ALA   8          1HB       ALA   8   4.677   1.916   9.850
   53   2HB   ALA   8          2HB       ALA   8   5.172   1.981   8.141
   54   3HB   ALA   8          3HB       ALA   8   3.496   2.370   8.598
   55    H    ASN   9           H        ASN   9   4.794  -2.055   9.450
   56    HA   ASN   9           HA       ASN   9   7.298  -2.088   8.372
   57   1HB   ASN   9          1HB       ASN   9   6.490  -3.728  10.058
   58   2HB   ASN   9          2HB       ASN   9   5.376  -4.417   8.895
   59   2HD2  ASN   9          2HD2      ASN   9   8.434  -4.562  10.246
   60   1HD2  ASN   9          1HD2      ASN   9   9.213  -5.645   9.141
   61    H    GLN  10           H        GLN  10   4.153  -3.388   7.092
   62    HA   GLN  10           HA       GLN  10   5.279  -4.405   4.743
   63   1HB   GLN  10          1HB       GLN  10   2.768  -4.288   3.991
   64   2HB   GLN  10          2HB       GLN  10   3.217  -5.366   5.298
   65   1HG   GLN  10          1HG       GLN  10   2.591  -2.628   6.234
   66   2HG   GLN  10          2HG       GLN  10   1.242  -3.390   5.416
   67   2HE2  GLN  10          2HE2      GLN  10   2.653  -2.924   8.315
   68   1HE2  GLN  10          1HE2      GLN  10   2.094  -4.301   9.204
   69    H    CYS  11           H        CYS  11   3.867  -1.247   5.675
   70    HA   CYS  11           HA       CYS  11   4.411  -0.307   2.957
   71   1HB   CYS  11          1HB       CYS  11   2.894   1.474   4.729
   72   2HB   CYS  11          2HB       CYS  11   2.623   1.039   3.053
   73    H    ALA  12           H        ALA  12   6.634  -0.746   4.581
   74    HA   ALA  12           HA       ALA  12   7.239   1.880   5.734
   75   1HB   ALA  12          1HB       ALA  12   9.295  -0.033   6.241
   76   2HB   ALA  12          2HB       ALA  12   8.128   0.659   7.394
   77   3HB   ALA  12          3HB       ALA  12   7.736  -0.844   6.524
   78    H    VAL  13           H        VAL  13   7.072   1.846   2.954
   79    HA   VAL  13           HA       VAL  13   9.837   1.531   2.056
   80    HB   VAL  13           HB       VAL  13   7.842   2.332   0.085
   81   1HG1  VAL  13          1HG1      VAL  13  10.212   0.719   0.304
   82   2HG1  VAL  13          2HG1      VAL  13   8.912  -0.245  -0.437
   83   3HG1  VAL  13          3HG1      VAL  13   9.387   1.312  -1.157
   84   1HG2  VAL  13          1HG2      VAL  13   7.347  -0.135   1.764
   85   2HG2  VAL  13          2HG2      VAL  13   6.209   1.162   1.327
   86   3HG2  VAL  13          3HG2      VAL  13   6.763   0.009   0.089
   87    HA   PRO  14           HA       PRO  14  10.409   5.812   1.963
   88   1HB   PRO  14          1HB       PRO  14  12.228   6.115  -0.053
   89   2HB   PRO  14          2HB       PRO  14  12.664   5.588   1.561
   90   1HG   PRO  14          1HG       PRO  14  12.448   3.990  -0.917
   91   2HG   PRO  14          2HG       PRO  14  13.274   3.593   0.577
   92   1HD   PRO  14          1HD       PRO  14  10.747   2.568  -0.312
   93   2HD   PRO  14          2HD       PRO  14  11.518   2.262   1.232
   94    H    ALA  15           H        ALA  15  10.279   4.751  -1.412
   95    HA   ALA  15           HA       ALA  15   7.900   5.690  -2.131
   96   1HB   ALA  15          1HB       ALA  15   9.675   7.951  -1.448
   97   2HB   ALA  15          2HB       ALA  15   7.903   7.895  -1.605
   98   3HB   ALA  15          3HB       ALA  15   8.919   8.081  -3.054
   99    H    LYS  16           H        LYS  16  11.360   5.423  -2.733
  100    HA   LYS  16           HA       LYS  16  10.949   5.391  -5.607
  101   1HB   LYS  16          1HB       LYS  16  13.358   5.311  -5.753
  102   2HB   LYS  16          2HB       LYS  16  12.881   6.587  -4.651
  103   1HG   LYS  16          1HG       LYS  16  14.533   5.568  -3.369
  104   2HG   LYS  16          2HG       LYS  16  13.135   4.675  -2.804
  105   1HD   LYS  16          1HD       LYS  16  14.118   2.753  -3.490
  106   2HD   LYS  16          2HD       LYS  16  14.006   3.310  -5.147
  107   1HE   LYS  16          1HE       LYS  16  16.220   4.035  -5.211
  108   2HE   LYS  16          2HE       LYS  16  16.255   4.442  -3.507
  109   1HZ   LYS  16          1HZ       LYS  16  15.849   1.697  -3.782
  110   2HZ   LYS  16          2HZ       LYS  16  17.137   2.121  -4.692
  111   3HZ   LYS  16          3HZ       LYS  16  17.112   2.474  -3.098
  112    H    ASP  17           H        ASP  17  10.477   3.286  -3.045
  113    HA   ASP  17           HA       ASP  17  11.258   1.014  -4.694
  114   1HB   ASP  17          1HB       ASP  17  11.418   1.589  -1.817
  115   2HB   ASP  17          2HB       ASP  17  10.551   0.094  -2.108
  116    H    ARG  18           H        ARG  18   8.722   2.908  -4.475
  117    HA   ARG  18           HA       ARG  18   6.717   1.188  -3.477
  118   1HB   ARG  18          1HB       ARG  18   6.268   3.565  -5.333
  119   2HB   ARG  18          2HB       ARG  18   5.174   2.936  -4.117
  120   1HG   ARG  18          1HG       ARG  18   7.913   4.040  -3.372
  121   2HG   ARG  18          2HG       ARG  18   6.518   5.088  -3.535
  122   1HD   ARG  18          1HD       ARG  18   5.494   3.060  -1.939
  123   2HD   ARG  18          2HD       ARG  18   7.160   3.119  -1.398
  124    HE   ARG  18           HE       ARG  18   6.002   5.783  -1.618
  125   1HH1  ARG  18          1HH1      ARG  18   6.220   2.949   0.458
  126   2HH1  ARG  18          2HH1      ARG  18   5.900   3.833   1.913
  127   1HH2  ARG  18          1HH2      ARG  18   5.580   6.949   0.302
  128   2HH2  ARG  18          2HH2      ARG  18   5.533   6.123   1.824
  129    H    VAL  19           H        VAL  19   6.362  -0.729  -4.598
  130    HA   VAL  19           HA       VAL  19   6.817  -0.992  -7.358
  131    HB   VAL  19           HB       VAL  19   5.140  -2.694  -5.504
  132   1HG1  VAL  19          1HG1      VAL  19   6.005  -2.959  -8.308
  133   2HG1  VAL  19          2HG1      VAL  19   6.361  -4.379  -7.296
  134   3HG1  VAL  19          3HG1      VAL  19   4.691  -3.775  -7.427
  135   1HG2  VAL  19          1HG2      VAL  19   7.879  -2.080  -5.301
  136   2HG2  VAL  19          2HG2      VAL  19   6.995  -3.384  -4.473
  137   3HG2  VAL  19          3HG2      VAL  19   7.803  -3.704  -6.026
  138    H    ASP  20           H        ASP  20   4.295   0.515  -5.565
  139    HA   ASP  20           HA       ASP  20   2.396   1.399  -6.122
  140   1HB   ASP  20          1HB       ASP  20   3.384   2.497  -7.990
  141   2HB   ASP  20          2HB       ASP  20   3.592   1.001  -8.879
  142    H    CYS  21           H        CYS  21   0.479   0.276  -5.751
  143    HA   CYS  21           HA       CYS  21   0.197  -2.354  -6.891
  144   1HB   CYS  21          1HB       CYS  21  -0.474  -1.294  -4.471
  145   2HB   CYS  21          2HB       CYS  21  -2.016  -1.222  -5.300
  146    H    GLY  22           H        GLY  22  -0.775   0.965  -7.453
  147   1HA   GLY  22          1HA       GLY  22  -2.025   0.352  -9.913
  148   2HA   GLY  22          2HA       GLY  22  -1.985   1.905  -9.102
  149    H    TYR  23           H        TYR  23  -3.676   2.501  -7.607
  150    HA   TYR  23           HA       TYR  23  -6.096   0.892  -8.000
  151   1HB   TYR  23          1HB       TYR  23  -4.629   1.841  -5.511
  152   2HB   TYR  23          2HB       TYR  23  -6.380   1.897  -5.454
  153    HD1  TYR  23           HD1      TYR  23  -7.589  -0.357  -6.223
  154    HD2  TYR  23           HD2      TYR  23  -3.557  -0.101  -4.815
  155    HE1  TYR  23           HE1      TYR  23  -7.641  -2.823  -5.605
  156    HE2  TYR  23           HE2      TYR  23  -3.622  -2.568  -4.202
  157    HH   TYR  23           HH       TYR  23  -5.678  -4.207  -3.558
  158    HA   PRO  24           HA       PRO  24  -7.845   4.772  -8.789
  159   1HB   PRO  24          1HB       PRO  24 -10.502   4.209  -8.483
  160   2HB   PRO  24          2HB       PRO  24  -9.601   3.824  -9.936
  161   1HG   PRO  24          1HG       PRO  24 -10.520   2.010  -7.790
  162   2HG   PRO  24          2HG       PRO  24 -10.009   1.613  -9.419
  163   1HD   PRO  24          1HD       PRO  24  -8.486   1.272  -7.012
  164   2HD   PRO  24          2HD       PRO  24  -7.936   0.985  -8.651
  165    H    HIS  25           H        HIS  25 -10.006   3.536  -6.293
  166    HA   HIS  25           HA       HIS  25  -9.687   6.079  -4.953
  167   1HB   HIS  25          1HB       HIS  25 -11.602   5.424  -3.647
  168   2HB   HIS  25          2HB       HIS  25 -11.935   5.167  -5.348
  169    HD1  HIS  25           HD1      HIS  25 -13.737   3.627  -3.593
  170    HD2  HIS  25           HD2      HIS  25  -9.953   2.153  -4.646
  171    HE1  HIS  25           HE1      HIS  25 -13.837   1.099  -3.263
  172    HE2  HIS  25           HE2      HIS  25 -11.502   0.244  -3.977
  173    H    VAL  26           H        VAL  26  -7.494   5.871  -4.208
  174    HA   VAL  26           HA       VAL  26  -7.021   3.687  -2.332
  175    HB   VAL  26           HB       VAL  26  -4.681   4.527  -2.423
  176   1HG1  VAL  26          1HG1      VAL  26  -5.987   3.797  -5.066
  177   2HG1  VAL  26          2HG1      VAL  26  -4.239   3.731  -4.739
  178   3HG1  VAL  26          3HG1      VAL  26  -5.353   2.675  -3.837
  179   1HG2  VAL  26          1HG2      VAL  26  -5.754   6.857  -3.377
  180   2HG2  VAL  26          2HG2      VAL  26  -4.041   6.393  -3.515
  181   3HG2  VAL  26          3HG2      VAL  26  -5.154   6.103  -4.874
  182    H    THR  27           H        THR  27  -6.670   4.013  -0.130
  183    HA   THR  27           HA       THR  27  -6.490   6.707   0.889
  184    HB   THR  27           HB       THR  27  -8.613   6.813   1.895
  185    HG1  THR  27           HG1      THR  27  -9.551   4.884   2.655
  186   1HG2  THR  27          1HG2      THR  27  -9.055   4.952  -0.499
  187   2HG2  THR  27          2HG2      THR  27 -10.359   5.796   0.372
  188   3HG2  THR  27          3HG2      THR  27  -9.135   6.730  -0.522
  189    HA   PRO  28           HA       PRO  28  -4.511   4.712   4.137
  190   1HB   PRO  28          1HB       PRO  28  -5.243   6.069   6.393
  191   2HB   PRO  28          2HB       PRO  28  -4.057   6.674   5.254
  192   1HG   PRO  28          1HG       PRO  28  -6.855   7.540   5.648
  193   2HG   PRO  28          2HG       PRO  28  -5.548   8.384   4.843
  194   1HD   PRO  28          1HD       PRO  28  -7.722   6.994   3.591
  195   2HD   PRO  28          2HD       PRO  28  -6.353   7.738   2.788
  196    H    LYS  29           H        LYS  29  -6.783   3.314   3.289
  197    HA   LYS  29           HA       LYS  29  -6.983   1.482   5.353
  198   1HB   LYS  29          1HB       LYS  29  -8.320   3.571   6.259
  199   2HB   LYS  29          2HB       LYS  29  -9.587   2.967   5.210
  200   1HG   LYS  29          1HG       LYS  29  -8.147   1.128   7.161
  201   2HG   LYS  29          2HG       LYS  29  -9.515   2.097   7.670
  202   1HD   LYS  29          1HD       LYS  29 -10.960   1.047   5.974
  203   2HD   LYS  29          2HD       LYS  29  -9.598   0.177   5.296
  204   1HE   LYS  29          1HE       LYS  29 -10.504  -1.477   6.675
  205   2HE   LYS  29          2HE       LYS  29  -9.329  -0.773   7.767
  206   1HZ   LYS  29          1HZ       LYS  29 -12.066   0.246   7.664
  207   2HZ   LYS  29          2HZ       LYS  29 -11.687  -1.051   8.580
  208   3HZ   LYS  29          3HZ       LYS  29 -10.973   0.389   8.869
  209    H    GLU  30           H        GLU  30  -8.912   3.104   2.745
  210    HA   GLU  30           HA       GLU  30 -10.094   0.726   1.901
  211   1HB   GLU  30          1HB       GLU  30 -11.110   2.841   1.330
  212   2HB   GLU  30          2HB       GLU  30  -9.652   3.413   0.545
  213   1HG   GLU  30          1HG       GLU  30 -10.104   2.292  -1.404
  214   2HG   GLU  30          2HG       GLU  30 -10.648   0.851  -0.568
  215    H    CYS  31           H        CYS  31  -7.156   2.537   0.831
  216    HA   CYS  31           HA       CYS  31  -6.590   0.904  -1.353
  217   1HB   CYS  31          1HB       CYS  31  -5.430   2.857  -1.449
  218   2HB   CYS  31          2HB       CYS  31  -5.117   2.903   0.274
  219    H    ASN  32           H        ASN  32  -5.927   0.699   2.161
  220    HA   ASN  32           HA       ASN  32  -4.223  -1.573   1.773
  221   1HB   ASN  32          1HB       ASN  32  -3.567  -0.147   3.596
  222   2HB   ASN  32          2HB       ASN  32  -5.210  -0.001   4.188
  223   2HD2  ASN  32          2HD2      ASN  32  -5.737  -1.160   5.870
  224   1HD2  ASN  32          1HD2      ASN  32  -4.985  -2.620   6.420
  225    H    ASN  33           H        ASN  33  -7.517  -1.010   1.671
  226    HA   ASN  33           HA       ASN  33  -8.250  -3.330   3.223
  227   1HB   ASN  33          1HB       ASN  33  -9.673  -1.317   3.436
  228   2HB   ASN  33          2HB       ASN  33  -9.900  -1.247   1.700
  229   2HD2  ASN  33          2HD2      ASN  33 -12.103  -1.405   1.809
  230   1HD2  ASN  33          1HD2      ASN  33 -12.952  -2.855   2.229
  231    H    ARG  34           H        ARG  34  -8.113  -2.017  -0.126
  232    HA   ARG  34           HA       ARG  34  -9.543  -4.039  -1.348
  233   1HB   ARG  34          1HB       ARG  34  -8.447  -1.687  -2.181
  234   2HB   ARG  34          2HB       ARG  34  -7.240  -2.782  -2.826
  235   1HG   ARG  34          1HG       ARG  34 -10.242  -3.028  -3.341
  236   2HG   ARG  34          2HG       ARG  34  -9.106  -2.282  -4.448
  237   1HD   ARG  34          1HD       ARG  34  -7.796  -4.554  -4.310
  238   2HD   ARG  34          2HD       ARG  34  -9.268  -5.204  -3.617
  239    HE   ARG  34           HE       ARG  34 -10.214  -3.933  -5.861
  240   1HH1  ARG  34          1HH1      ARG  34  -7.590  -6.224  -5.361
  241   2HH1  ARG  34          2HH1      ARG  34  -7.716  -6.909  -6.947
  242   1HH2  ARG  34          1HH2      ARG  34 -10.380  -4.836  -7.954
  243   2HH2  ARG  34          2HH2      ARG  34  -9.313  -6.114  -8.432
  244    H    GLY  35           H        GLY  35  -6.221  -3.835  -0.141
  245   1HA   GLY  35          1HA       GLY  35  -5.645  -6.486  -1.326
  246   2HA   GLY  35          2HA       GLY  35  -5.274  -6.068   0.335
  247    H    CYS  36           H        CYS  36  -3.813  -4.080   0.670
  248    HA   CYS  36           HA       CYS  36  -1.415  -4.469  -0.554
  249   1HB   CYS  36          1HB       CYS  36  -3.126  -3.136  -2.355
  250   2HB   CYS  36          2HB       CYS  36  -2.027  -1.914  -1.748
  251    H    CYS  37           H        CYS  37  -0.496  -1.677  -0.592
  252    HA   CYS  37           HA       CYS  37  -1.119  -0.942   2.177
  253   1HB   CYS  37          1HB       CYS  37   1.481  -1.265   0.779
  254   2HB   CYS  37          2HB       CYS  37   1.334   0.117   1.846
  255    H    PHE  38           H        PHE  38  -1.112   1.405   2.594
  256    HA   PHE  38           HA       PHE  38  -1.494   2.941   0.120
  257   1HB   PHE  38          1HB       PHE  38  -3.569   2.638   1.444
  258   2HB   PHE  38          2HB       PHE  38  -2.732   3.038   2.930
  259    HD1  PHE  38           HD1      PHE  38  -4.044   4.427  -0.223
  260    HD2  PHE  38           HD2      PHE  38  -2.429   5.306   3.602
  261    HE1  PHE  38           HE1      PHE  38  -4.717   6.830  -0.491
  262    HE2  PHE  38           HE2      PHE  38  -3.102   7.709   3.334
  263    HZ   PHE  38           HZ       PHE  38  -4.238   8.442   1.291
  264    H    ASP  39           H        ASP  39  -1.266   5.445   0.641
  265    HA   ASP  39           HA       ASP  39   0.371   6.231   2.715
  266   1HB   ASP  39          1HB       ASP  39   2.132   4.913   1.601
  267   2HB   ASP  39          2HB       ASP  39   1.802   5.700   0.071
  268    H    SER  40           H        SER  40   0.534   8.564   2.658
  269    HA   SER  40           HA       SER  40  -0.300   9.796   0.162
  270   1HB   SER  40          1HB       SER  40  -1.800  11.332   1.393
  271   2HB   SER  40          2HB       SER  40  -2.305   9.665   1.585
  272    HG   SER  40           HG       SER  40  -0.806  11.247   3.494
  273    H    ARG  41           H        ARG  41   2.253   9.371   1.908
  274    HA   ARG  41           HA       ARG  41   2.912  11.772   3.076
  275   1HB   ARG  41          1HB       ARG  41   4.107   9.341   2.922
  276   2HB   ARG  41          2HB       ARG  41   5.064  10.162   1.706
  277   1HG   ARG  41          1HG       ARG  41   5.093  12.060   3.686
  278   2HG   ARG  41          2HG       ARG  41   4.956  10.611   4.662
  279   1HD   ARG  41          1HD       ARG  41   7.086   9.908   4.154
  280   2HD   ARG  41          2HD       ARG  41   6.950  10.377   2.471
  281    HE   ARG  41           HE       ARG  41   7.042  12.780   3.963
  282   1HH1  ARG  41          1HH1      ARG  41   9.135  10.023   3.330
  283   2HH1  ARG  41          2HH1      ARG  41  10.599  10.925   3.533
  284   1HH2  ARG  41          1HH2      ARG  41   8.974  13.971   4.232
  285   2HH2  ARG  41          2HH2      ARG  41  10.507  13.186   4.050
  286    H    ILE  42           H        ILE  42   3.302  10.544  -0.294
  287    HA   ILE  42           HA       ILE  42   3.576  13.272  -1.204
  288    HB   ILE  42           HB       ILE  42   5.568  12.112  -2.667
  289   1HG1  ILE  42          1HG1      ILE  42   7.138  11.113  -1.024
  290   2HG1  ILE  42          2HG1      ILE  42   5.869  11.123   0.185
  291   1HG2  ILE  42          1HG2      ILE  42   5.316  14.115  -0.545
  292   2HG2  ILE  42          2HG2      ILE  42   6.942  13.401  -0.662
  293   3HG2  ILE  42          3HG2      ILE  42   6.205  14.172  -2.086
  294   1HD1  ILE  42          1HD1      ILE  42   5.057   9.887  -2.391
  295   2HD1  ILE  42          2HD1      ILE  42   6.367   9.031  -1.542
  296   3HD1  ILE  42          3HD1      ILE  42   4.811   9.311  -0.725
  297    HA   PRO  43           HA       PRO  43   1.093  11.405  -4.227
  298   1HB   PRO  43          1HB       PRO  43   0.736  13.570  -5.857
  299   2HB   PRO  43          2HB       PRO  43  -0.214  13.292  -4.411
  300   1HG   PRO  43          1HG       PRO  43   1.977  15.228  -4.845
  301   2HG   PRO  43          2HG       PRO  43   0.754  15.218  -3.591
  302   1HD   PRO  43          1HD       PRO  43   3.500  14.437  -3.316
  303   2HD   PRO  43          2HD       PRO  43   2.250  14.318  -2.095
  304    H    GLY  44           H        GLY  44   3.934  13.213  -5.161
  305   1HA   GLY  44          1HA       GLY  44   5.561  12.640  -6.620
  306   2HA   GLY  44          2HA       GLY  44   4.238  12.557  -7.766
  307    H    VAL  45           H        VAL  45   4.375  10.363  -4.964
  308    HA   VAL  45           HA       VAL  45   5.299   8.221  -6.741
  309    HB   VAL  45           HB       VAL  45   6.298   7.256  -4.965
  310   1HG1  VAL  45          1HG1      VAL  45   6.061  10.145  -4.067
  311   2HG1  VAL  45          2HG1      VAL  45   7.190   8.964  -3.359
  312   3HG1  VAL  45          3HG1      VAL  45   7.340   9.422  -5.073
  313   1HG2  VAL  45          1HG2      VAL  45   4.072   8.390  -3.253
  314   2HG2  VAL  45          2HG2      VAL  45   4.398   6.688  -3.661
  315   3HG2  VAL  45          3HG2      VAL  45   5.494   7.567  -2.568
  316    HA   PRO  46           HA       PRO  46   1.479   6.215  -6.446
  317   1HB   PRO  46          1HB       PRO  46   2.067   3.574  -6.063
  318   2HB   PRO  46          2HB       PRO  46   2.195   4.368  -7.620
  319   1HG   PRO  46          1HG       PRO  46   4.353   3.559  -5.769
  320   2HG   PRO  46          2HG       PRO  46   4.459   3.953  -7.474
  321   1HD   PRO  46          1HD       PRO  46   5.233   5.625  -5.275
  322   2HD   PRO  46          2HD       PRO  46   5.229   6.060  -6.973
  323    H    TRP  47           H        TRP  47   0.571   7.317  -4.683
  324    HA   TRP  47           HA       TRP  47   0.960   7.005  -2.106
  325   1HB   TRP  47          1HB       TRP  47  -1.537   7.263  -3.706
  326   2HB   TRP  47          2HB       TRP  47  -1.706   6.907  -1.998
  327    HD1  TRP  47           HD1      TRP  47   1.147   9.218  -3.172
  328    HE1  TRP  47           HE1      TRP  47   0.795  11.687  -2.310
  329    HE3  TRP  47           HE3      TRP  47  -3.526   8.461  -1.316
  330    HZ2  TRP  47           HZ2      TRP  47  -1.351  13.016  -0.978
  331    HZ3  TRP  47           HZ3      TRP  47  -4.680  10.396  -0.251
  332    HH2  TRP  47           HH2      TRP  47  -3.667  12.613  -0.065
  333    H    CYS  48           H        CYS  48  -1.020   4.684  -4.091
  334    HA   CYS  48           HA       CYS  48  -0.868   2.795  -1.894
  335   1HB   CYS  48          1HB       CYS  48  -2.998   3.369  -3.236
  336   2HB   CYS  48          2HB       CYS  48  -2.314   2.364  -4.498
  337    H    PHE  49           H        PHE  49   0.878   1.424  -1.864
  338    HA   PHE  49           HA       PHE  49   1.827   0.433  -4.449
  339   1HB   PHE  49          1HB       PHE  49   4.166   0.617  -3.277
  340   2HB   PHE  49          2HB       PHE  49   3.449   2.119  -3.826
  341    HD1  PHE  49           HD1      PHE  49   3.582  -0.042  -0.785
  342    HD2  PHE  49           HD2      PHE  49   3.332   3.895  -2.351
  343    HE1  PHE  49           HE1      PHE  49   3.762   0.894   1.537
  344    HE2  PHE  49           HE2      PHE  49   3.511   4.830  -0.029
  345    HZ   PHE  49           HZ       PHE  49   3.724   3.318   1.887
  346    H    LYS  50           H        LYS  50   3.264  -1.564  -4.151
  347    HA   LYS  50           HA       LYS  50   1.871  -3.421  -2.568
  348   1HB   LYS  50          1HB       LYS  50   4.586  -3.733  -3.879
  349   2HB   LYS  50          2HB       LYS  50   3.504  -5.018  -3.381
  350   1HG   LYS  50          1HG       LYS  50   1.751  -3.829  -4.958
  351   2HG   LYS  50          2HG       LYS  50   3.150  -3.030  -5.648
  352   1HD   LYS  50          1HD       LYS  50   2.926  -4.953  -7.004
  353   2HD   LYS  50          2HD       LYS  50   4.177  -5.423  -5.871
  354   1HE   LYS  50          1HE       LYS  50   2.724  -6.827  -4.633
  355   2HE   LYS  50          2HE       LYS  50   1.283  -5.998  -5.185
  356   1HZ   LYS  50          1HZ       LYS  50   2.479  -6.944  -7.443
  357   2HZ   LYS  50          2HZ       LYS  50   2.627  -8.165  -6.368
  358   3HZ   LYS  50          3HZ       LYS  50   1.152  -7.557  -6.716
  359    HA   PRO  51           HA       PRO  51   4.031  -3.288   1.165
  360   1HB   PRO  51          1HB       PRO  51   4.095  -5.897   1.978
  361   2HB   PRO  51          2HB       PRO  51   2.676  -4.879   2.132
  362   1HG   PRO  51          1HG       PRO  51   3.199  -7.049   0.193
  363   2HG   PRO  51          2HG       PRO  51   1.669  -6.322   0.641
  364   1HD   PRO  51          1HD       PRO  51   3.162  -5.838  -1.760
  365   2HD   PRO  51          2HD       PRO  51   1.692  -5.026  -1.259
  366    H    LEU  52           H        LEU  52   6.053  -2.763   1.691
  367    HA   LEU  52           HA       LEU  52   8.171  -3.243   0.158
  368   1HB   LEU  52          1HB       LEU  52   8.502  -1.772   1.887
  369   2HB   LEU  52          2HB       LEU  52   7.852  -2.859   3.099
  370    HG   LEU  52           HG       LEU  52  10.491  -3.366   1.712
  371   1HD1  LEU  52          1HD1      LEU  52   9.974  -1.823   4.267
  372   2HD1  LEU  52          2HD1      LEU  52  11.567  -2.425   3.749
  373   3HD1  LEU  52          3HD1      LEU  52  10.709  -1.215   2.764
  374   1HD2  LEU  52          1HD2      LEU  52   8.891  -4.916   3.453
  375   2HD2  LEU  52          2HD2      LEU  52  10.538  -5.254   2.871
  376   3HD2  LEU  52          3HD2      LEU  52  10.298  -4.367   4.395
  377    H    GLN  53           H        GLN  53   9.664  -4.851  -0.292
  378    HA   GLN  53           HA       GLN  53   8.784  -7.467   0.141
  379   1HB   GLN  53          1HB       GLN  53  11.066  -6.117  -1.206
  380   2HB   GLN  53          2HB       GLN  53  11.412  -7.745  -0.657
  381   1HG   GLN  53          1HG       GLN  53  10.379  -8.478  -2.545
  382   2HG   GLN  53          2HG       GLN  53   8.867  -8.008  -1.793
  383   2HE2  GLN  53          2HE2      GLN  53   8.681  -5.424  -1.825
  384   1HE2  GLN  53          1HE2      GLN  53   8.803  -4.728  -3.407
  385    H    GLU  54           H        GLU  54   8.577  -7.355   2.563
  386    HA   GLU  54           HA       GLU  54  10.561  -6.894   4.301
  387   1HB   GLU  54          1HB       GLU  54   9.328  -8.197   5.886
  388   2HB   GLU  54          2HB       GLU  54   8.140  -7.548   4.773
  389   1HG   GLU  54          1HG       GLU  54   7.441  -9.746   4.717
  390   2HG   GLU  54          2HG       GLU  54   8.663  -9.861   3.467
  391    H    ALA  55           H        ALA  55  12.628  -7.638   4.463
  392    HA   ALA  55           HA       ALA  55  13.149 -10.434   4.463
  393   1HB   ALA  55          1HB       ALA  55  13.527 -10.701   2.260
  394   2HB   ALA  55          2HB       ALA  55  14.939  -9.635   2.455
  395   3HB   ALA  55          3HB       ALA  55  13.372  -8.954   1.956
  396    H    GLU  56           H        GLU  56  15.790 -10.621   4.397
  397    HA   GLU  56           HA       GLU  56  16.575  -9.148   6.632
  398   1HB   GLU  56          1HB       GLU  56  18.799 -10.237   6.249
  399   2HB   GLU  56          2HB       GLU  56  17.467 -11.375   6.222
  400   1HG   GLU  56          1HG       GLU  56  17.623 -10.585   3.550
  401   2HG   GLU  56          2HG       GLU  56  19.306 -10.579   4.039
  402    H    CYS  57           H        CYS  57  19.097  -8.188   6.382
  403    HA   CYS  57           HA       CYS  57  20.393  -6.595   5.577
  404   1HB   CYS  57          1HB       CYS  57  18.706  -6.291   3.103
  405   2HB   CYS  57          2HB       CYS  57  20.401  -5.910   3.327
  406    H    THR  58           H        THR  58  20.206  -4.703   6.722
  407    HA   THR  58           HA       THR  58  17.750  -3.554   7.379
  408    HB   THR  58           HB       THR  58  19.903  -3.340   8.657
  409    HG1  THR  58           HG1      THR  58  18.830  -0.850   7.531
  410   1HG2  THR  58          1HG2      THR  58  20.691  -1.905   6.124
  411   2HG2  THR  58          2HG2      THR  58  21.217  -1.187   7.666
  412   3HG2  THR  58          3HG2      THR  58  21.702  -2.847   7.246
  413    H    PHE  59           H        PHE  59  17.018  -1.304   6.890
  414    HA   PHE  59           HA       PHE  59  16.226  -1.006   4.365
  415   1HB   PHE  59          1HB       PHE  59  16.984   0.866   6.631
  416   2HB   PHE  59          2HB       PHE  59  16.591   1.613   5.095
  417    HD1  PHE  59           HD1      PHE  59  15.258  -0.565   7.768
  418    HD2  PHE  59           HD2      PHE  59  14.344   1.812   4.374
  419    HE1  PHE  59           HE1      PHE  59  12.814  -0.722   8.317
  420    HE2  PHE  59           HE2      PHE  59  11.900   1.656   4.923
  421    HZ   PHE  59           HZ       PHE  59  11.164   0.391   6.887

  No H/Q in entry =         421
  Start of MODEL   12
    1    H    GLU   1           H        GLU   1  10.752 -16.395  14.603
    2    HA   GLU   1           HA       GLU   1   8.769 -17.670  15.729
    3   1HB   GLU   1          1HB       GLU   1   9.406 -15.310  17.433
    4   2HB   GLU   1          2HB       GLU   1   7.707 -15.504  17.049
    5   1HG   GLU   1          1HG       GLU   1   8.683 -18.116  17.697
    6   2HG   GLU   1          2HG       GLU   1   9.341 -17.034  18.908
    7    H    GLU   2           H        GLU   2   6.625 -17.029  14.887
    8    HA   GLU   2           HA       GLU   2   6.635 -16.091  12.410
    9   1HB   GLU   2          1HB       GLU   2   4.226 -15.688  12.645
   10   2HB   GLU   2          2HB       GLU   2   4.680 -17.123  13.542
   11   1HG   GLU   2          1HG       GLU   2   3.675 -16.188  15.351
   12   2HG   GLU   2          2HG       GLU   2   5.020 -15.067  15.422
   13    H    TYR   3           H        TYR   3   5.756 -14.016  11.421
   14    HA   TYR   3           HA       TYR   3   6.331 -11.677  13.088
   15   1HB   TYR   3          1HB       TYR   3   7.905 -10.899  11.451
   16   2HB   TYR   3          2HB       TYR   3   8.234 -12.620  11.462
   17    HD1  TYR   3           HD1      TYR   3   6.658  -9.867   9.576
   18    HD2  TYR   3           HD2      TYR   3   7.681 -14.021   9.560
   19    HE1  TYR   3           HE1      TYR   3   6.189  -9.980   7.080
   20    HE2  TYR   3           HE2      TYR   3   7.208 -14.120   7.064
   21    HH   TYR   3           HH       TYR   3   7.164 -12.605   5.181
   22    H    VAL   4           H        VAL   4   5.370  -9.671  12.255
   23    HA   VAL   4           HA       VAL   4   3.440 -10.020  10.113
   24    HB   VAL   4           HB       VAL   4   1.728  -8.886  11.667
   25   1HG1  VAL   4          1HG1      VAL   4   2.074 -11.455  10.846
   26   2HG1  VAL   4          2HG1      VAL   4   2.070 -11.673  12.612
   27   3HG1  VAL   4          3HG1      VAL   4   0.687 -10.891  11.809
   28   1HG2  VAL   4          1HG2      VAL   4   3.841  -9.038  13.485
   29   2HG2  VAL   4          2HG2      VAL   4   2.141  -8.660  13.853
   30   3HG2  VAL   4          3HG2      VAL   4   2.729 -10.334  13.989
   31    H    GLY   5           H        GLY   5   2.114  -7.588  10.334
   32   1HA   GLY   5          1HA       GLY   5   3.837  -5.788   9.187
   33   2HA   GLY   5          2HA       GLY   5   3.914  -5.438  10.902
   34    H    LEU   6           H        LEU   6   1.922  -5.363   7.987
   35    HA   LEU   6           HA       LEU   6   0.273  -3.885   7.555
   36   1HB   LEU   6          1HB       LEU   6  -1.847  -4.742   8.291
   37   2HB   LEU   6          2HB       LEU   6  -0.769  -6.056   7.864
   38    HG   LEU   6           HG       LEU   6  -0.575  -5.481  10.698
   39   1HD1  LEU   6          1HD1      LEU   6  -2.961  -4.678  10.137
   40   2HD1  LEU   6          2HD1      LEU   6  -3.327  -6.404   9.898
   41   3HD1  LEU   6          3HD1      LEU   6  -2.741  -5.829  11.477
   42   1HD2  LEU   6          1HD2      LEU   6  -0.964  -7.792   8.884
   43   2HD2  LEU   6          2HD2      LEU   6   0.137  -7.579  10.267
   44   3HD2  LEU   6          3HD2      LEU   6  -1.575  -7.980  10.545
   45    H    SER   7           H        SER   7   1.124  -1.880   8.289
   46    HA   SER   7           HA       SER   7  -0.395  -0.403   9.863
   47   1HB   SER   7          1HB       SER   7   1.191  -0.311  12.012
   48   2HB   SER   7          2HB       SER   7  -0.158  -1.426  11.923
   49    HG   SER   7           HG       SER   7   2.372  -2.280  10.899
   50    H    ALA   8           H        ALA   8   2.844  -1.326   8.803
   51    HA   ALA   8           HA       ALA   8   3.437   1.079   7.645
   52   1HB   ALA   8          1HB       ALA   8   4.238   2.464   9.227
   53   2HB   ALA   8          2HB       ALA   8   5.271   1.183   9.906
   54   3HB   ALA   8          3HB       ALA   8   3.582   1.343  10.444
   55    H    ASN   9           H        ASN   9   4.526  -1.821   9.414
   56    HA   ASN   9           HA       ASN   9   7.082  -1.973   8.494
   57   1HB   ASN   9          1HB       ASN   9   6.088  -3.531  10.171
   58   2HB   ASN   9          2HB       ASN   9   5.063  -4.236   8.936
   59   2HD2  ASN   9          2HD2      ASN   9   5.760  -6.225   8.661
   60   1HD2  ASN   9          1HD2      ASN   9   7.384  -6.719   8.318
   61    H    GLN  10           H        GLN  10   4.002  -3.288   7.065
   62    HA   GLN  10           HA       GLN  10   5.278  -4.337   4.802
   63   1HB   GLN  10          1HB       GLN  10   2.836  -4.367   3.916
   64   2HB   GLN  10          2HB       GLN  10   3.204  -5.327   5.335
   65   1HG   GLN  10          1HG       GLN  10   2.119  -3.828   6.805
   66   2HG   GLN  10          2HG       GLN  10   2.284  -2.469   5.711
   67   2HE2  GLN  10          2HE2      GLN  10   1.246  -5.715   4.823
   68   1HE2  GLN  10          1HE2      GLN  10  -0.388  -5.332   4.392
   69    H    CYS  11           H        CYS  11   3.760  -1.198   5.609
   70    HA   CYS  11           HA       CYS  11   4.374  -0.299   2.893
   71   1HB   CYS  11          1HB       CYS  11   2.779   1.467   4.628
   72   2HB   CYS  11          2HB       CYS  11   2.590   1.069   2.932
   73    H    ALA  12           H        ALA  12   6.554  -0.687   4.599
   74    HA   ALA  12           HA       ALA  12   7.094   1.945   5.759
   75   1HB   ALA  12          1HB       ALA  12   9.205   0.066   6.209
   76   2HB   ALA  12          2HB       ALA  12   8.045   0.726   7.386
   77   3HB   ALA  12          3HB       ALA  12   7.662  -0.771   6.502
   78    H    VAL  13           H        VAL  13   6.920   1.764   2.908
   79    HA   VAL  13           HA       VAL  13   9.694   1.628   2.032
   80    HB   VAL  13           HB       VAL  13   7.649   2.383   0.084
   81   1HG1  VAL  13          1HG1      VAL  13  10.061   0.752   0.298
   82   2HG1  VAL  13          2HG1      VAL  13   8.777  -0.063  -0.627
   83   3HG1  VAL  13          3HG1      VAL  13   9.342   1.551  -1.121
   84   1HG2  VAL  13          1HG2      VAL  13   7.259  -0.066   1.795
   85   2HG2  VAL  13          2HG2      VAL  13   6.058   1.108   1.207
   86   3HG2  VAL  13          3HG2      VAL  13   6.773  -0.072   0.083
   87    HA   PRO  14           HA       PRO  14  10.120   5.927   2.050
   88   1HB   PRO  14          1HB       PRO  14  12.067   6.293   0.166
   89   2HB   PRO  14          2HB       PRO  14  12.405   5.778   1.807
   90   1HG   PRO  14          1HG       PRO  14  12.416   4.177  -0.678
   91   2HG   PRO  14          2HG       PRO  14  13.147   3.805   0.870
   92   1HD   PRO  14          1HD       PRO  14  10.723   2.699  -0.193
   93   2HD   PRO  14          2HD       PRO  14  11.393   2.416   1.401
   94    H    ALA  15           H        ALA  15  10.285   4.887  -1.331
   95    HA   ALA  15           HA       ALA  15   7.920   5.755  -2.207
   96   1HB   ALA  15          1HB       ALA  15   9.533   8.045  -1.350
   97   2HB   ALA  15          2HB       ALA  15   7.812   7.970  -1.797
   98   3HB   ALA  15          3HB       ALA  15   9.052   8.165  -3.059
   99    H    LYS  16           H        LYS  16  11.401   5.488  -2.565
  100    HA   LYS  16           HA       LYS  16  11.177   5.435  -5.466
  101   1HB   LYS  16          1HB       LYS  16  13.600   5.410  -5.457
  102   2HB   LYS  16          2HB       LYS  16  13.010   6.710  -4.441
  103   1HG   LYS  16          1HG       LYS  16  14.520   5.832  -2.939
  104   2HG   LYS  16          2HG       LYS  16  13.178   4.775  -2.547
  105   1HD   LYS  16          1HD       LYS  16  15.121   3.369  -2.888
  106   2HD   LYS  16          2HD       LYS  16  14.051   3.113  -4.251
  107   1HE   LYS  16          1HE       LYS  16  15.596   5.239  -5.152
  108   2HE   LYS  16          2HE       LYS  16  16.753   4.352  -4.179
  109   1HZ   LYS  16          1HZ       LYS  16  16.029   2.347  -5.414
  110   2HZ   LYS  16          2HZ       LYS  16  15.167   3.307  -6.415
  111   3HZ   LYS  16          3HZ       LYS  16  16.791   3.460  -6.334
  112    H    ASP  17           H        ASP  17  10.375   3.375  -3.060
  113    HA   ASP  17           HA       ASP  17  11.417   1.093  -4.549
  114   1HB   ASP  17          1HB       ASP  17  11.363   1.709  -1.684
  115   2HB   ASP  17          2HB       ASP  17  10.512   0.210  -2.003
  116    H    ARG  18           H        ARG  18   8.815   2.971  -4.441
  117    HA   ARG  18           HA       ARG  18   6.795   1.159  -3.653
  118   1HB   ARG  18          1HB       ARG  18   6.406   3.615  -5.419
  119   2HB   ARG  18          2HB       ARG  18   5.251   2.902  -4.311
  120   1HG   ARG  18          1HG       ARG  18   7.875   4.233  -3.487
  121   2HG   ARG  18          2HG       ARG  18   6.294   4.983  -3.388
  122   1HD   ARG  18          1HD       ARG  18   5.585   2.993  -1.897
  123   2HD   ARG  18          2HD       ARG  18   7.279   2.547  -1.837
  124    HE   ARG  18           HE       ARG  18   7.592   4.245  -0.277
  125   1HH1  ARG  18          1HH1      ARG  18   4.820   5.078  -2.278
  126   2HH1  ARG  18          2HH1      ARG  18   4.463   6.530  -1.403
  127   1HH2  ARG  18          1HH2      ARG  18   7.121   6.160   0.878
  128   2HH2  ARG  18          2HH2      ARG  18   5.781   7.149   0.404
  129    H    VAL  19           H        VAL  19   5.997  -0.516  -4.886
  130    HA   VAL  19           HA       VAL  19   6.771  -0.645  -7.668
  131    HB   VAL  19           HB       VAL  19   5.087  -2.648  -6.193
  132   1HG1  VAL  19          1HG1      VAL  19   7.174  -2.843  -8.390
  133   2HG1  VAL  19          2HG1      VAL  19   6.376  -4.236  -7.622
  134   3HG1  VAL  19          3HG1      VAL  19   5.415  -3.063  -8.553
  135   1HG2  VAL  19          1HG2      VAL  19   7.944  -1.938  -5.685
  136   2HG2  VAL  19          2HG2      VAL  19   6.703  -2.570  -4.576
  137   3HG2  VAL  19          3HG2      VAL  19   7.511  -3.664  -5.725
  138    H    ASP  20           H        ASP  20   4.245   0.711  -5.849
  139    HA   ASP  20           HA       ASP  20   2.306   1.533  -6.357
  140   1HB   ASP  20          1HB       ASP  20   3.201   2.629  -8.274
  141   2HB   ASP  20          2HB       ASP  20   3.419   1.126  -9.147
  142    H    CYS  21           H        CYS  21   0.454   0.342  -5.883
  143    HA   CYS  21           HA       CYS  21   0.209  -2.306  -6.979
  144   1HB   CYS  21          1HB       CYS  21  -0.384  -1.279  -4.552
  145   2HB   CYS  21          2HB       CYS  21  -1.959  -1.162  -5.311
  146    H    GLY  22           H        GLY  22  -0.901   0.972  -7.550
  147   1HA   GLY  22          1HA       GLY  22  -2.224   0.257  -9.955
  148   2HA   GLY  22          2HA       GLY  22  -2.167   1.837  -9.200
  149    H    TYR  23           H        TYR  23  -3.825   2.501  -7.726
  150    HA   TYR  23           HA       TYR  23  -6.240   0.869  -7.960
  151   1HB   TYR  23          1HB       TYR  23  -4.670   1.810  -5.534
  152   2HB   TYR  23          2HB       TYR  23  -6.416   1.878  -5.405
  153    HD1  TYR  23           HD1      TYR  23  -7.667  -0.371  -6.134
  154    HD2  TYR  23           HD2      TYR  23  -3.586  -0.136  -4.870
  155    HE1  TYR  23           HE1      TYR  23  -7.710  -2.836  -5.514
  156    HE2  TYR  23           HE2      TYR  23  -3.643  -2.602  -4.254
  157    HH   TYR  23           HH       TYR  23  -5.729  -4.687  -5.359
  158    HA   PRO  24           HA       PRO  24  -8.010   4.753  -8.677
  159   1HB   PRO  24          1HB       PRO  24 -10.654   4.197  -8.265
  160   2HB   PRO  24          2HB       PRO  24  -9.814   3.810  -9.754
  161   1HG   PRO  24          1HG       PRO  24 -10.649   1.998  -7.572
  162   2HG   PRO  24          2HG       PRO  24 -10.206   1.600  -9.220
  163   1HD   PRO  24          1HD       PRO  24  -8.588   1.255  -6.877
  164   2HD   PRO  24          2HD       PRO  24  -8.104   0.966  -8.537
  165    H    HIS  25           H        HIS  25 -10.136   3.570  -6.136
  166    HA   HIS  25           HA       HIS  25  -9.726   6.094  -4.795
  167   1HB   HIS  25          1HB       HIS  25 -11.609   5.477  -3.441
  168   2HB   HIS  25          2HB       HIS  25 -11.995   5.183  -5.125
  169    HD1  HIS  25           HD1      HIS  25 -13.725   3.702  -3.216
  170    HD2  HIS  25           HD2      HIS  25 -10.033   2.166  -4.482
  171    HE1  HIS  25           HE1      HIS  25 -13.835   1.180  -2.844
  172    HE2  HIS  25           HE2      HIS  25 -11.559   0.286  -3.691
  173    H    VAL  26           H        VAL  26  -7.500   5.841  -4.144
  174    HA   VAL  26           HA       VAL  26  -6.986   3.657  -2.285
  175    HB   VAL  26           HB       VAL  26  -4.647   4.479  -2.444
  176   1HG1  VAL  26          1HG1      VAL  26  -6.040   3.810  -5.059
  177   2HG1  VAL  26          2HG1      VAL  26  -4.283   3.724  -4.786
  178   3HG1  VAL  26          3HG1      VAL  26  -5.379   2.660  -3.872
  179   1HG2  VAL  26          1HG2      VAL  26  -5.485   6.861  -3.109
  180   2HG2  VAL  26          2HG2      VAL  26  -3.976   6.234  -3.813
  181   3HG2  VAL  26          3HG2      VAL  26  -5.480   6.208  -4.764
  182    H    THR  27           H        THR  27  -6.662   3.949  -0.091
  183    HA   THR  27           HA       THR  27  -6.396   6.633   0.952
  184    HB   THR  27           HB       THR  27  -8.495   6.748   2.019
  185    HG1  THR  27           HG1      THR  27  -9.590   4.750   2.545
  186   1HG2  THR  27          1HG2      THR  27  -9.012   4.982  -0.432
  187   2HG2  THR  27          2HG2      THR  27 -10.284   5.824   0.487
  188   3HG2  THR  27          3HG2      THR  27  -9.052   6.762  -0.392
  189    HA   PRO  28           HA       PRO  28  -4.386   4.571   4.138
  190   1HB   PRO  28          1HB       PRO  28  -5.039   5.931   6.417
  191   2HB   PRO  28          2HB       PRO  28  -3.864   6.515   5.256
  192   1HG   PRO  28          1HG       PRO  28  -6.633   7.441   5.717
  193   2HG   PRO  28          2HG       PRO  28  -5.325   8.261   4.887
  194   1HD   PRO  28          1HD       PRO  28  -7.556   6.926   3.675
  195   2HD   PRO  28          2HD       PRO  28  -6.189   7.645   2.848
  196    H    LYS  29           H        LYS  29  -6.725   3.244   3.334
  197    HA   LYS  29           HA       LYS  29  -6.916   1.401   5.396
  198   1HB   LYS  29          1HB       LYS  29  -8.181   3.499   6.350
  199   2HB   LYS  29          2HB       LYS  29  -9.478   2.968   5.299
  200   1HG   LYS  29          1HG       LYS  29  -8.114   0.967   7.125
  201   2HG   LYS  29          2HG       LYS  29  -9.331   2.046   7.778
  202   1HD   LYS  29          1HD       LYS  29 -11.016   1.220   6.216
  203   2HD   LYS  29          2HD       LYS  29  -9.817   0.314   5.314
  204   1HE   LYS  29          1HE       LYS  29  -9.511  -0.606   7.966
  205   2HE   LYS  29          2HE       LYS  29 -11.245  -0.430   7.777
  206   1HZ   LYS  29          1HZ       LYS  29  -9.714  -1.731   5.669
  207   2HZ   LYS  29          2HZ       LYS  29 -10.092  -2.571   7.018
  208   3HZ   LYS  29          3HZ       LYS  29 -11.278  -1.944   6.087
  209    H    GLU  30           H        GLU  30  -8.724   3.078   2.752
  210    HA   GLU  30           HA       GLU  30 -10.003   0.711   1.942
  211   1HB   GLU  30          1HB       GLU  30 -10.980   2.887   1.439
  212   2HB   GLU  30          2HB       GLU  30  -9.554   3.384   0.551
  213   1HG   GLU  30          1HG       GLU  30 -10.170   2.240  -1.339
  214   2HG   GLU  30          2HG       GLU  30 -10.709   0.838  -0.436
  215    H    CYS  31           H        CYS  31  -7.018   2.461   0.950
  216    HA   CYS  31           HA       CYS  31  -6.522   0.822  -1.286
  217   1HB   CYS  31          1HB       CYS  31  -5.423   2.816  -1.447
  218   2HB   CYS  31          2HB       CYS  31  -5.023   2.877   0.258
  219    H    ASN  32           H        ASN  32  -5.846   0.684   2.215
  220    HA   ASN  32           HA       ASN  32  -4.058  -1.532   1.855
  221   1HB   ASN  32          1HB       ASN  32  -3.277  -0.804   3.873
  222   2HB   ASN  32          2HB       ASN  32  -4.502   0.449   3.872
  223   2HD2  ASN  32          2HD2      ASN  32  -6.748  -0.317   4.478
  224   1HD2  ASN  32          1HD2      ASN  32  -6.887  -1.374   5.843
  225    H    ASN  33           H        ASN  33  -7.371  -1.066   1.772
  226    HA   ASN  33           HA       ASN  33  -8.003  -3.414   3.336
  227   1HB   ASN  33          1HB       ASN  33  -9.527  -1.570   3.709
  228   2HB   ASN  33          2HB       ASN  33  -9.671  -1.239   1.994
  229   2HD2  ASN  33          2HD2      ASN  33 -11.977  -1.339   2.776
  230   1HD2  ASN  33          1HD2      ASN  33 -12.803  -2.856   2.652
  231    H    ARG  34           H        ARG  34  -8.131  -2.012   0.008
  232    HA   ARG  34           HA       ARG  34  -9.522  -4.022  -1.212
  233   1HB   ARG  34          1HB       ARG  34  -8.427  -1.669  -2.035
  234   2HB   ARG  34          2HB       ARG  34  -7.237  -2.761  -2.716
  235   1HG   ARG  34          1HG       ARG  34 -10.250  -2.977  -3.184
  236   2HG   ARG  34          2HG       ARG  34  -9.124  -2.232  -4.301
  237   1HD   ARG  34          1HD       ARG  34  -7.836  -4.514  -4.220
  238   2HD   ARG  34          2HD       ARG  34  -9.292  -5.160  -3.491
  239    HE   ARG  34           HE       ARG  34 -10.098  -3.721  -5.801
  240   1HH1  ARG  34          1HH1      ARG  34  -8.198  -6.575  -5.010
  241   2HH1  ARG  34          2HH1      ARG  34  -8.539  -7.374  -6.508
  242   1HH2  ARG  34          1HH2      ARG  34 -10.549  -4.774  -7.778
  243   2HH2  ARG  34          2HH2      ARG  34  -9.885  -6.343  -8.093
  244    H    GLY  35           H        GLY  35  -6.154  -3.850  -0.112
  245   1HA   GLY  35          1HA       GLY  35  -5.642  -6.499  -1.329
  246   2HA   GLY  35          2HA       GLY  35  -5.217  -6.099   0.323
  247    H    CYS  36           H        CYS  36  -3.711  -4.157   0.644
  248    HA   CYS  36           HA       CYS  36  -1.360  -4.545  -0.647
  249   1HB   CYS  36          1HB       CYS  36  -3.099  -3.217  -2.416
  250   2HB   CYS  36          2HB       CYS  36  -1.999  -1.986  -1.829
  251    H    CYS  37           H        CYS  37  -0.441  -1.744  -0.721
  252    HA   CYS  37           HA       CYS  37  -0.969  -1.017   2.069
  253   1HB   CYS  37          1HB       CYS  37   1.578  -1.327   0.577
  254   2HB   CYS  37          2HB       CYS  37   1.466   0.058   1.644
  255    H    PHE  38           H        PHE  38  -0.942   1.334   2.493
  256    HA   PHE  38           HA       PHE  38  -1.406   2.878   0.038
  257   1HB   PHE  38          1HB       PHE  38  -3.458   2.540   1.388
  258   2HB   PHE  38          2HB       PHE  38  -2.605   2.937   2.866
  259    HD1  PHE  38           HD1      PHE  38  -3.933   4.349  -0.276
  260    HD2  PHE  38           HD2      PHE  38  -2.362   5.191   3.575
  261    HE1  PHE  38           HE1      PHE  38  -4.637   6.747  -0.513
  262    HE2  PHE  38           HE2      PHE  38  -3.066   7.589   3.338
  263    HZ   PHE  38           HZ       PHE  38  -4.195   8.338   1.297
  264    H    ASP  39           H        ASP  39  -1.210   5.384   0.593
  265    HA   ASP  39           HA       ASP  39   0.453   6.167   2.645
  266   1HB   ASP  39          1HB       ASP  39   2.204   4.873   1.468
  267   2HB   ASP  39          2HB       ASP  39   1.851   5.709  -0.031
  268    H    SER  40           H        SER  40   0.663   8.513   2.579
  269    HA   SER  40           HA       SER  40  -0.230   9.763   0.120
  270   1HB   SER  40          1HB       SER  40  -1.778  11.239   1.344
  271   2HB   SER  40          2HB       SER  40  -2.234   9.560   1.555
  272    HG   SER  40           HG       SER  40  -1.399   9.559   3.658
  273    H    ARG  41           H        ARG  41   2.293   9.351   1.965
  274    HA   ARG  41           HA       ARG  41   2.893  11.778   3.113
  275   1HB   ARG  41          1HB       ARG  41   4.109   9.343   3.028
  276   2HB   ARG  41          2HB       ARG  41   5.117  10.176   1.861
  277   1HG   ARG  41          1HG       ARG  41   6.012  11.622   3.444
  278   2HG   ARG  41          2HG       ARG  41   4.544  11.665   4.401
  279   1HD   ARG  41          1HD       ARG  41   5.004   9.415   5.303
  280   2HD   ARG  41          2HD       ARG  41   6.387   9.231   4.243
  281    HE   ARG  41           HE       ARG  41   6.576  11.616   5.921
  282   1HH1  ARG  41          1HH1      ARG  41   7.154   8.147   5.807
  283   2HH1  ARG  41          2HH1      ARG  41   8.366   8.180   7.044
  284   1HH2  ARG  41          1HH2      ARG  41   8.175  11.660   7.553
  285   2HH2  ARG  41          2HH2      ARG  41   8.951  10.191   8.043
  286    H    ILE  42           H        ILE  42   3.181  10.564  -0.239
  287    HA   ILE  42           HA       ILE  42   3.567  13.253  -1.169
  288    HB   ILE  42           HB       ILE  42   5.579  12.096  -2.586
  289   1HG1  ILE  42          1HG1      ILE  42   7.113  11.054  -0.943
  290   2HG1  ILE  42          2HG1      ILE  42   5.836  11.073   0.258
  291   1HG2  ILE  42          1HG2      ILE  42   5.353  14.020  -0.355
  292   2HG2  ILE  42          2HG2      ILE  42   6.980  13.354  -0.635
  293   3HG2  ILE  42          3HG2      ILE  42   6.120  14.186  -1.953
  294   1HD1  ILE  42          1HD1      ILE  42   5.267   9.807  -2.425
  295   2HD1  ILE  42          2HD1      ILE  42   6.243   8.913  -1.234
  296   3HD1  ILE  42          3HD1      ILE  42   4.585   9.419  -0.827
  297    HA   PRO  43           HA       PRO  43   1.129  11.354  -4.210
  298   1HB   PRO  43          1HB       PRO  43   0.795  13.503  -5.865
  299   2HB   PRO  43          2HB       PRO  43  -0.177  13.238  -4.432
  300   1HG   PRO  43          1HG       PRO  43   2.019  15.172  -4.849
  301   2HG   PRO  43          2HG       PRO  43   0.777  15.172  -3.614
  302   1HD   PRO  43          1HD       PRO  43   3.519  14.396  -3.289
  303   2HD   PRO  43          2HD       PRO  43   2.249  14.287  -2.086
  304    H    GLY  44           H        GLY  44   3.996  13.137  -5.098
  305   1HA   GLY  44          1HA       GLY  44   5.667  12.478  -6.484
  306   2HA   GLY  44          2HA       GLY  44   4.387  12.546  -7.678
  307    H    VAL  45           H        VAL  45   4.792  10.236  -4.918
  308    HA   VAL  45           HA       VAL  45   5.412   8.126  -6.826
  309    HB   VAL  45           HB       VAL  45   6.303   6.967  -5.067
  310   1HG1  VAL  45          1HG1      VAL  45   6.858   9.760  -5.121
  311   2HG1  VAL  45          2HG1      VAL  45   6.883   9.239  -3.419
  312   3HG1  VAL  45          3HG1      VAL  45   7.924   8.428  -4.614
  313   1HG2  VAL  45          1HG2      VAL  45   4.254   8.373  -3.365
  314   2HG2  VAL  45          2HG2      VAL  45   4.548   6.631  -3.577
  315   3HG2  VAL  45          3HG2      VAL  45   5.679   7.613  -2.616
  316    HA   PRO  46           HA       PRO  46   1.526   6.249  -6.522
  317   1HB   PRO  46          1HB       PRO  46   2.009   3.579  -6.195
  318   2HB   PRO  46          2HB       PRO  46   2.157   4.398  -7.738
  319   1HG   PRO  46          1HG       PRO  46   4.296   3.466  -5.923
  320   2HG   PRO  46          2HG       PRO  46   4.403   3.888  -7.620
  321   1HD   PRO  46          1HD       PRO  46   5.263   5.484  -5.397
  322   2HD   PRO  46          2HD       PRO  46   5.263   5.952  -7.086
  323    H    TRP  47           H        TRP  47   0.587   7.293  -4.771
  324    HA   TRP  47           HA       TRP  47   0.991   6.978  -2.193
  325   1HB   TRP  47          1HB       TRP  47  -1.503   7.247  -3.790
  326   2HB   TRP  47          2HB       TRP  47  -1.680   6.860  -2.090
  327    HD1  TRP  47           HD1      TRP  47   1.169   9.203  -3.215
  328    HE1  TRP  47           HE1      TRP  47   0.805  11.654  -2.309
  329    HE3  TRP  47           HE3      TRP  47  -3.504   8.394  -1.381
  330    HZ2  TRP  47           HZ2      TRP  47  -1.348  12.951  -0.957
  331    HZ3  TRP  47           HZ3      TRP  47  -4.668  10.305  -0.283
  332    HH2  TRP  47           HH2      TRP  47  -3.664  12.523  -0.056
  333    H    CYS  48           H        CYS  48  -1.011   4.665  -4.166
  334    HA   CYS  48           HA       CYS  48  -0.839   2.767  -1.981
  335   1HB   CYS  48          1HB       CYS  48  -2.970   3.343  -3.329
  336   2HB   CYS  48          2HB       CYS  48  -2.286   2.328  -4.582
  337    H    PHE  49           H        PHE  49   0.925   1.417  -1.957
  338    HA   PHE  49           HA       PHE  49   1.864   0.425  -4.545
  339   1HB   PHE  49          1HB       PHE  49   4.207   0.623  -3.386
  340   2HB   PHE  49          2HB       PHE  49   3.479   2.122  -3.929
  341    HD1  PHE  49           HD1      PHE  49   3.644  -0.043  -0.892
  342    HD2  PHE  49           HD2      PHE  49   3.356   3.894  -2.450
  343    HE1  PHE  49           HE1      PHE  49   3.831   0.890   1.430
  344    HE2  PHE  49           HE2      PHE  49   3.543   4.827  -0.127
  345    HZ   PHE  49           HZ       PHE  49   3.779   3.314   1.785
  346    H    LYS  50           H        LYS  50   3.271  -1.579  -4.278
  347    HA   LYS  50           HA       LYS  50   1.908  -3.445  -2.706
  348   1HB   LYS  50          1HB       LYS  50   4.494  -3.507  -4.263
  349   2HB   LYS  50          2HB       LYS  50   3.941  -4.897  -3.350
  350   1HG   LYS  50          1HG       LYS  50   1.631  -4.153  -4.712
  351   2HG   LYS  50          2HG       LYS  50   2.878  -3.752  -5.876
  352   1HD   LYS  50          1HD       LYS  50   3.632  -6.283  -4.821
  353   2HD   LYS  50          2HD       LYS  50   1.899  -6.384  -5.059
  354   1HE   LYS  50          1HE       LYS  50   2.773  -5.096  -7.390
  355   2HE   LYS  50          2HE       LYS  50   4.063  -6.238  -7.070
  356   1HZ   LYS  50          1HZ       LYS  50   2.284  -7.932  -6.814
  357   2HZ   LYS  50          2HZ       LYS  50   1.210  -6.840  -7.380
  358   3HZ   LYS  50          3HZ       LYS  50   2.442  -7.339  -8.328
  359    HA   PRO  51           HA       PRO  51   3.977  -3.283   1.077
  360   1HB   PRO  51          1HB       PRO  51   4.026  -5.888   1.901
  361   2HB   PRO  51          2HB       PRO  51   2.603  -4.872   2.019
  362   1HG   PRO  51          1HG       PRO  51   3.174  -7.048   0.100
  363   2HG   PRO  51          2HG       PRO  51   1.632  -6.322   0.510
  364   1HD   PRO  51          1HD       PRO  51   3.179  -5.844  -1.858
  365   2HD   PRO  51          2HD       PRO  51   1.697  -5.033  -1.393
  366    H    LEU  52           H        LEU  52   5.990  -2.657   1.496
  367    HA   LEU  52           HA       LEU  52   8.126  -3.249   0.030
  368   1HB   LEU  52          1HB       LEU  52   8.468  -1.640   1.612
  369   2HB   LEU  52          2HB       LEU  52   7.755  -2.583   2.906
  370    HG   LEU  52           HG       LEU  52  10.392  -3.387   1.686
  371   1HD1  LEU  52          1HD1      LEU  52  10.389  -0.946   2.430
  372   2HD1  LEU  52          2HD1      LEU  52  10.182  -1.567   4.085
  373   3HD1  LEU  52          3HD1      LEU  52  11.623  -2.013   3.141
  374   1HD2  LEU  52          1HD2      LEU  52   8.781  -4.137   4.060
  375   2HD2  LEU  52          2HD2      LEU  52   9.873  -5.112   3.048
  376   3HD2  LEU  52          3HD2      LEU  52  10.542  -4.033   4.295
  377    H    GLN  53           H        GLN  53   9.671  -4.863  -0.231
  378    HA   GLN  53           HA       GLN  53   8.837  -7.441   0.205
  379   1HB   GLN  53          1HB       GLN  53  11.300  -8.002  -0.312
  380   2HB   GLN  53          2HB       GLN  53  10.428  -7.078  -1.519
  381   1HG   GLN  53          1HG       GLN  53  11.758  -5.405   0.550
  382   2HG   GLN  53          2HG       GLN  53  12.869  -6.353  -0.419
  383   2HE2  GLN  53          2HE2      GLN  53  11.467  -3.456  -0.181
  384   1HE2  GLN  53          1HE2      GLN  53  11.399  -2.945  -1.835
  385    H    GLU  54           H        GLU  54   8.197  -7.651   2.441
  386    HA   GLU  54           HA       GLU  54   9.857  -7.026   4.551
  387   1HB   GLU  54          1HB       GLU  54   8.353  -8.468   5.890
  388   2HB   GLU  54          2HB       GLU  54   7.443  -7.442   4.800
  389   1HG   GLU  54          1HG       GLU  54   8.041  -9.832   3.341
  390   2HG   GLU  54          2HG       GLU  54   7.515 -10.346   4.932
  391    H    ALA  55           H        ALA  55  12.006  -7.745   4.277
  392    HA   ALA  55           HA       ALA  55  12.317 -10.669   4.202
  393   1HB   ALA  55          1HB       ALA  55  14.169 -10.407   2.851
  394   2HB   ALA  55          2HB       ALA  55  14.556  -8.798   3.505
  395   3HB   ALA  55          3HB       ALA  55  13.229  -8.987   2.333
  396    H    GLU  56           H        GLU  56  12.115 -10.965   6.475
  397    HA   GLU  56           HA       GLU  56  13.732  -9.367   8.191
  398   1HB   GLU  56          1HB       GLU  56  11.415 -10.921   8.484
  399   2HB   GLU  56          2HB       GLU  56  12.628 -11.834   9.359
  400   1HG   GLU  56          1HG       GLU  56  13.270  -9.453  10.372
  401   2HG   GLU  56          2HG       GLU  56  11.652  -9.014   9.863
  402    H    CYS  57           H        CYS  57  13.894 -12.538   6.587
  403    HA   CYS  57           HA       CYS  57  15.478 -14.047   6.434
  404   1HB   CYS  57          1HB       CYS  57  17.229 -11.737   7.281
  405   2HB   CYS  57          2HB       CYS  57  17.872 -13.310   6.853
  406    H    THR  58           H        THR  58  17.466 -15.085   7.897
  407    HA   THR  58           HA       THR  58  16.347 -16.195  10.104
  408    HB   THR  58           HB       THR  58  18.401 -17.029   9.061
  409    HG1  THR  58           HG1      THR  58  18.580 -17.631  11.200
  410   1HG2  THR  58          1HG2      THR  58  19.277 -14.484   8.789
  411   2HG2  THR  58          2HG2      THR  58  20.043 -14.852  10.354
  412   3HG2  THR  58          3HG2      THR  58  20.417 -15.845   8.925
  413    H    PHE  59           H        PHE  59  18.378 -13.201  10.047
  414    HA   PHE  59           HA       PHE  59  16.894 -12.096  12.174
  415   1HB   PHE  59          1HB       PHE  59  19.387 -13.695  12.666
  416   2HB   PHE  59          2HB       PHE  59  19.417 -12.107  13.405
  417    HD1  PHE  59           HD1      PHE  59  16.780 -11.637  14.385
  418    HD2  PHE  59           HD2      PHE  59  18.921 -15.298  14.248
  419    HE1  PHE  59           HE1      PHE  59  15.419 -12.505  16.306
  420    HE2  PHE  59           HE2      PHE  59  17.560 -16.166  16.170
  421    HZ   PHE  59           HZ       PHE  59  15.825 -14.759  17.176

  No H/Q in entry =         421
  Start of MODEL   13
    1    H    GLU   1           H        GLU   1   9.213  -9.893  17.555
    2    HA   GLU   1           HA       GLU   1   9.171 -11.652  19.076
    3   1HB   GLU   1          1HB       GLU   1   7.641  -9.704  20.622
    4   2HB   GLU   1          2HB       GLU   1   6.813 -11.249  20.601
    5   1HG   GLU   1          1HG       GLU   1   8.265 -11.483  22.443
    6   2HG   GLU   1          2HG       GLU   1   9.154 -12.285  21.163
    7    H    GLU   2           H        GLU   2   6.074  -9.972  18.182
    8    HA   GLU   2           HA       GLU   2   5.199 -12.511  17.062
    9   1HB   GLU   2          1HB       GLU   2   2.921 -11.624  17.208
   10   2HB   GLU   2          2HB       GLU   2   3.711 -11.470  18.765
   11   1HG   GLU   2          1HG       GLU   2   4.135  -9.111  17.027
   12   2HG   GLU   2          2HG       GLU   2   2.441  -9.407  17.366
   13    H    TYR   3           H        TYR   3   4.305 -12.579  14.893
   14    HA   TYR   3           HA       TYR   3   5.594 -10.687  13.146
   15   1HB   TYR   3          1HB       TYR   3   5.206 -13.318  12.995
   16   2HB   TYR   3          2HB       TYR   3   3.570 -12.909  12.518
   17    HD1  TYR   3           HD1      TYR   3   7.073 -11.896  11.595
   18    HD2  TYR   3           HD2      TYR   3   3.134 -12.882  10.245
   19    HE1  TYR   3           HE1      TYR   3   7.831 -11.650   9.181
   20    HE2  TYR   3           HE2      TYR   3   3.906 -12.632   7.835
   21    HH   TYR   3           HH       TYR   3   7.167 -11.493   7.096
   22    H    VAL   4           H        VAL   4   3.985 -10.331  11.010
   23    HA   VAL   4           HA       VAL   4   2.315  -9.139  10.191
   24    HB   VAL   4           HB       VAL   4   1.044 -10.455  12.539
   25   1HG1  VAL   4          1HG1      VAL   4  -0.067  -8.039  11.132
   26   2HG1  VAL   4          2HG1      VAL   4  -1.163  -9.323  11.696
   27   3HG1  VAL   4          3HG1      VAL   4  -0.117  -8.473  12.858
   28   1HG2  VAL   4          1HG2      VAL   4   0.963 -10.593   9.573
   29   2HG2  VAL   4          2HG2      VAL   4   0.854 -11.888  10.790
   30   3HG2  VAL   4          3HG2      VAL   4  -0.576 -10.895  10.415
   31    H    GLY   5           H        GLY   5   3.408  -7.153  10.237
   32   1HA   GLY   5          1HA       GLY   5   4.090  -5.149  11.086
   33   2HA   GLY   5          2HA       GLY   5   3.442  -5.575  12.658
   34    H    LEU   6           H        LEU   6   0.946  -6.364  10.635
   35    HA   LEU   6           HA       LEU   6  -0.811  -5.283   9.751
   36   1HB   LEU   6          1HB       LEU   6  -2.052  -4.001  11.512
   37   2HB   LEU   6          2HB       LEU   6  -1.595  -5.643  11.917
   38    HG   LEU   6           HG       LEU   6   0.132  -3.332  12.779
   39   1HD1  LEU   6          1HD1      LEU   6  -2.352  -4.332  14.198
   40   2HD1  LEU   6          2HD1      LEU   6  -1.117  -3.270  14.917
   41   3HD1  LEU   6          3HD1      LEU   6  -2.076  -2.706  13.527
   42   1HD2  LEU   6          1HD2      LEU   6   0.093  -6.194  13.183
   43   2HD2  LEU   6          2HD2      LEU   6   1.341  -4.998  13.609
   44   3HD2  LEU   6          3HD2      LEU   6   0.007  -5.333  14.739
   45    H    SER   7           H        SER   7   0.034  -4.087   8.011
   46    HA   SER   7           HA       SER   7   0.622  -2.333   6.870
   47   1HB   SER   7          1HB       SER   7  -0.676  -0.369   7.143
   48   2HB   SER   7          2HB       SER   7  -1.673  -1.637   7.826
   49    HG   SER   7           HG       SER   7  -1.435   0.392   9.131
   50    H    ALA   8           H        ALA   8   1.456   0.262   7.309
   51    HA   ALA   8           HA       ALA   8   3.132   1.516   8.027
   52   1HB   ALA   8          1HB       ALA   8   2.353  -0.025  10.426
   53   2HB   ALA   8          2HB       ALA   8   2.661   1.718  10.236
   54   3HB   ALA   8          3HB       ALA   8   4.022   0.594  10.467
   55    H    ASN   9           H        ASN   9   4.106  -1.639   9.533
   56    HA   ASN   9           HA       ASN   9   6.705  -1.483   8.816
   57   1HB   ASN   9          1HB       ASN   9   4.945  -3.444   9.927
   58   2HB   ASN   9          2HB       ASN   9   5.765  -4.253   8.606
   59   2HD2  ASN   9          2HD2      ASN   9   5.889  -3.699  11.788
   60   1HD2  ASN   9          1HD2      ASN   9   7.588  -3.798  12.109
   61    H    GLN  10           H        GLN  10   4.206  -3.606   7.200
   62    HA   GLN  10           HA       GLN  10   5.714  -4.264   5.033
   63   1HB   GLN  10          1HB       GLN  10   3.368  -4.541   3.902
   64   2HB   GLN  10          2HB       GLN  10   3.751  -5.515   5.308
   65   1HG   GLN  10          1HG       GLN  10   2.669  -3.002   6.237
   66   2HG   GLN  10          2HG       GLN  10   1.607  -3.615   4.985
   67   2HE2  GLN  10          2HE2      GLN  10   3.676  -5.402   7.241
   68   1HE2  GLN  10          1HE2      GLN  10   2.422  -6.267   8.065
   69    H    CYS  11           H        CYS  11   3.726  -1.345   5.638
   70    HA   CYS  11           HA       CYS  11   4.367  -0.395   2.961
   71   1HB   CYS  11          1HB       CYS  11   2.713   1.266   4.768
   72   2HB   CYS  11          2HB       CYS  11   2.548   0.946   3.053
   73    H    ALA  12           H        ALA  12   6.540  -0.707   4.793
   74    HA   ALA  12           HA       ALA  12   7.010   1.994   5.807
   75   1HB   ALA  12          1HB       ALA  12   8.679  -0.514   6.206
   76   2HB   ALA  12          2HB       ALA  12   7.308  -0.078   7.253
   77   3HB   ALA  12          3HB       ALA  12   8.726   0.992   7.153
   78    H    VAL  13           H        VAL  13   6.898   1.755   2.991
   79    HA   VAL  13           HA       VAL  13   9.672   1.548   2.138
   80    HB   VAL  13           HB       VAL  13   7.671   2.343   0.165
   81   1HG1  VAL  13          1HG1      VAL  13  10.025   0.646   0.419
   82   2HG1  VAL  13          2HG1      VAL  13   8.720  -0.163  -0.481
   83   3HG1  VAL  13          3HG1      VAL  13   9.326   1.420  -1.023
   84   1HG2  VAL  13          1HG2      VAL  13   7.165  -0.050   1.919
   85   2HG2  VAL  13          2HG2      VAL  13   6.016   1.146   1.272
   86   3HG2  VAL  13          3HG2      VAL  13   6.714  -0.090   0.197
   87    HA   PRO  14           HA       PRO  14  10.228   5.832   2.090
   88   1HB   PRO  14          1HB       PRO  14  12.144   6.129   0.164
   89   2HB   PRO  14          2HB       PRO  14  12.502   5.614   1.800
   90   1HG   PRO  14          1HG       PRO  14  12.412   3.998  -0.674
   91   2HG   PRO  14          2HG       PRO  14  13.165   3.614   0.861
   92   1HD   PRO  14          1HD       PRO  14  10.688   2.574  -0.143
   93   2HD   PRO  14          2HD       PRO  14  11.383   2.281   1.439
   94    H    ALA  15           H        ALA  15  10.277   4.756  -1.282
   95    HA   ALA  15           HA       ALA  15   7.929   5.681  -2.122
   96   1HB   ALA  15          1HB       ALA  15   9.631   7.944  -1.328
   97   2HB   ALA  15          2HB       ALA  15   7.884   7.894  -1.666
   98   3HB   ALA  15          3HB       ALA  15   9.045   8.068  -3.004
   99    H    LYS  16           H        LYS  16  11.397   5.346  -2.539
  100    HA   LYS  16           HA       LYS  16  11.124   5.300  -5.436
  101   1HB   LYS  16          1HB       LYS  16  13.546   5.227  -5.466
  102   2HB   LYS  16          2HB       LYS  16  12.998   6.540  -4.444
  103   1HG   LYS  16          1HG       LYS  16  14.535   5.624  -2.984
  104   2HG   LYS  16          2HG       LYS  16  13.162   4.631  -2.538
  105   1HD   LYS  16          1HD       LYS  16  14.963   3.093  -2.902
  106   2HD   LYS  16          2HD       LYS  16  13.936   2.944  -4.314
  107   1HE   LYS  16          1HE       LYS  16  15.818   3.316  -5.544
  108   2HE   LYS  16          2HE       LYS  16  15.664   4.996  -5.070
  109   1HZ   LYS  16          1HZ       LYS  16  16.868   3.909  -2.949
  110   2HZ   LYS  16          2HZ       LYS  16  17.522   3.033  -4.163
  111   3HZ   LYS  16          3HZ       LYS  16  17.648   4.662  -4.171
  112    H    ASP  17           H        ASP  17  10.393   3.249  -2.965
  113    HA   ASP  17           HA       ASP  17  11.351   0.950  -4.483
  114   1HB   ASP  17          1HB       ASP  17  11.323   1.574  -1.617
  115   2HB   ASP  17          2HB       ASP  17  10.458   0.082  -1.930
  116    H    ARG  18           H        ARG  18   8.779   2.867  -4.359
  117    HA   ARG  18           HA       ARG  18   6.737   1.091  -3.548
  118   1HB   ARG  18          1HB       ARG  18   6.374   3.544  -5.322
  119   2HB   ARG  18          2HB       ARG  18   5.215   2.854  -4.203
  120   1HG   ARG  18          1HG       ARG  18   7.867   4.145  -3.401
  121   2HG   ARG  18          2HG       ARG  18   6.300   4.923  -3.298
  122   1HD   ARG  18          1HD       ARG  18   5.570   2.934  -1.801
  123   2HD   ARG  18          2HD       ARG  18   7.264   2.492  -1.730
  124    HE   ARG  18           HE       ARG  18   7.565   4.203  -0.182
  125   1HH1  ARG  18          1HH1      ARG  18   4.804   5.016  -2.207
  126   2HH1  ARG  18          2HH1      ARG  18   4.440   6.475  -1.347
  127   1HH2  ARG  18          1HH2      ARG  18   7.085   6.128   0.953
  128   2HH2  ARG  18          2HH2      ARG  18   5.747   7.112   0.462
  129    H    VAL  19           H        VAL  19   5.978  -0.614  -4.761
  130    HA   VAL  19           HA       VAL  19   6.702  -0.754  -7.549
  131    HB   VAL  19           HB       VAL  19   4.997  -2.732  -6.070
  132   1HG1  VAL  19          1HG1      VAL  19   6.111  -2.648  -8.624
  133   2HG1  VAL  19          2HG1      VAL  19   7.194  -3.727  -7.713
  134   3HG1  VAL  19          3HG1      VAL  19   5.451  -4.080  -7.798
  135   1HG2  VAL  19          1HG2      VAL  19   7.743  -1.925  -5.386
  136   2HG2  VAL  19          2HG2      VAL  19   6.556  -2.868  -4.454
  137   3HG2  VAL  19          3HG2      VAL  19   7.557  -3.669  -5.689
  138    H    ASP  20           H        ASP  20   4.197   0.632  -5.717
  139    HA   ASP  20           HA       ASP  20   2.266   1.475  -6.220
  140   1HB   ASP  20          1HB       ASP  20   3.169   2.549  -8.148
  141   2HB   ASP  20          2HB       ASP  20   3.351   1.038  -9.018
  142    H    CYS  21           H        CYS  21   0.361   0.352  -5.786
  143    HA   CYS  21           HA       CYS  21   0.101  -2.327  -6.795
  144   1HB   CYS  21          1HB       CYS  21  -0.511  -1.288  -4.422
  145   2HB   CYS  21          2HB       CYS  21  -2.050  -1.001  -5.209
  146    H    GLY  22           H        GLY  22  -1.024   0.957  -7.444
  147   1HA   GLY  22          1HA       GLY  22  -2.250   0.164  -9.895
  148   2HA   GLY  22          2HA       GLY  22  -2.184   1.773  -9.202
  149    H    TYR  23           H        TYR  23  -3.832   2.475  -7.688
  150    HA   TYR  23           HA       TYR  23  -6.298   0.933  -8.002
  151   1HB   TYR  23          1HB       TYR  23  -4.737   1.764  -5.535
  152   2HB   TYR  23          2HB       TYR  23  -6.478   1.936  -5.434
  153    HD1  TYR  23           HD1      TYR  23  -7.797  -0.263  -6.353
  154    HD2  TYR  23           HD2      TYR  23  -3.836  -0.214  -4.737
  155    HE1  TYR  23           HE1      TYR  23  -7.999  -2.728  -5.764
  156    HE2  TYR  23           HE2      TYR  23  -4.052  -2.679  -4.153
  157    HH   TYR  23           HH       TYR  23  -6.707  -4.578  -5.305
  158    HA   PRO  24           HA       PRO  24  -7.891   4.893  -8.728
  159   1HB   PRO  24          1HB       PRO  24 -10.568   4.403  -8.480
  160   2HB   PRO  24          2HB       PRO  24  -9.657   4.034  -9.931
  161   1HG   PRO  24          1HG       PRO  24 -10.664   2.186  -7.855
  162   2HG   PRO  24          2HG       PRO  24 -10.140   1.823  -9.488
  163   1HD   PRO  24          1HD       PRO  24  -8.667   1.362  -7.070
  164   2HD   PRO  24          2HD       PRO  24  -8.099   1.108  -8.708
  165    H    HIS  25           H        HIS  25 -10.027   3.573  -6.243
  166    HA   HIS  25           HA       HIS  25  -9.737   6.097  -4.854
  167   1HB   HIS  25          1HB       HIS  25 -11.644   5.433  -3.581
  168   2HB   HIS  25          2HB       HIS  25 -11.975   5.104  -5.270
  169    HD1  HIS  25           HD1      HIS  25 -13.595   3.629  -3.132
  170    HD2  HIS  25           HD2      HIS  25 -10.044   2.128  -4.784
  171    HE1  HIS  25           HE1      HIS  25 -13.663   1.100  -2.794
  172    HE2  HIS  25           HE2      HIS  25 -11.481   0.228  -3.878
  173    H    VAL  26           H        VAL  26  -7.517   5.876  -4.166
  174    HA   VAL  26           HA       VAL  26  -7.019   3.677  -2.312
  175    HB   VAL  26           HB       VAL  26  -4.674   4.481  -2.458
  176   1HG1  VAL  26          1HG1      VAL  26  -5.459   2.661  -3.889
  177   2HG1  VAL  26          2HG1      VAL  26  -6.017   3.835  -5.105
  178   3HG1  VAL  26          3HG1      VAL  26  -4.279   3.673  -4.757
  179   1HG2  VAL  26          1HG2      VAL  26  -5.872   6.790  -3.565
  180   2HG2  VAL  26          2HG2      VAL  26  -4.138   6.459  -3.338
  181   3HG2  VAL  26          3HG2      VAL  26  -4.932   6.036  -4.874
  182    H    THR  27           H        THR  27  -6.735   3.981  -0.118
  183    HA   THR  27           HA       THR  27  -6.463   6.678   0.904
  184    HB   THR  27           HB       THR  27  -8.567   6.794   1.957
  185    HG1  THR  27           HG1      THR  27  -9.582   4.836   2.619
  186   1HG2  THR  27          1HG2      THR  27  -9.079   4.972  -0.454
  187   2HG2  THR  27          2HG2      THR  27 -10.347   5.844   0.441
  188   3HG2  THR  27          3HG2      THR  27  -9.111   6.752  -0.462
  189    HA   PRO  28           HA       PRO  28  -4.452   4.656   4.115
  190   1HB   PRO  28          1HB       PRO  28  -5.132   6.018   6.384
  191   2HB   PRO  28          2HB       PRO  28  -3.958   6.611   5.227
  192   1HG   PRO  28          1HG       PRO  28  -6.740   7.507   5.668
  193   2HG   PRO  28          2HG       PRO  28  -5.437   8.338   4.842
  194   1HD   PRO  28          1HD       PRO  28  -7.646   6.973   3.625
  195   2HD   PRO  28          2HD       PRO  28  -6.283   7.703   2.801
  196    H    LYS  29           H        LYS  29  -6.760   3.290   3.303
  197    HA   LYS  29           HA       LYS  29  -6.943   1.455   5.369
  198   1HB   LYS  29          1HB       LYS  29  -8.256   3.577   6.272
  199   2HB   LYS  29          2HB       LYS  29  -9.545   2.936   5.273
  200   1HG   LYS  29          1HG       LYS  29  -8.115   0.940   6.990
  201   2HG   LYS  29          2HG       LYS  29  -9.082   2.126   7.845
  202   1HD   LYS  29          1HD       LYS  29 -10.506   1.054   5.501
  203   2HD   LYS  29          2HD       LYS  29 -10.025  -0.222   6.601
  204   1HE   LYS  29          1HE       LYS  29 -10.980   1.720   8.356
  205   2HE   LYS  29          2HE       LYS  29 -12.037   1.929   6.974
  206   1HZ   LYS  29          1HZ       LYS  29 -11.817  -0.768   7.328
  207   2HZ   LYS  29          2HZ       LYS  29 -11.981  -0.169   8.838
  208   3HZ   LYS  29          3HZ       LYS  29 -13.105   0.164   7.701
  209    H    GLU  30           H        GLU  30  -8.855   3.104   2.770
  210    HA   GLU  30           HA       GLU  30 -10.086   0.734   1.949
  211   1HB   GLU  30          1HB       GLU  30 -11.077   2.888   1.420
  212   2HB   GLU  30          2HB       GLU  30  -9.641   3.408   0.561
  213   1HG   GLU  30          1HG       GLU  30 -10.352   2.429  -1.359
  214   2HG   GLU  30          2HG       GLU  30 -10.556   0.884  -0.558
  215    H    CYS  31           H        CYS  31  -7.128   2.507   0.891
  216    HA   CYS  31           HA       CYS  31  -6.613   0.895  -1.330
  217   1HB   CYS  31          1HB       CYS  31  -5.440   2.842  -1.422
  218   2HB   CYS  31          2HB       CYS  31  -5.098   2.865   0.296
  219    H    ASN  32           H        ASN  32  -5.781   0.716   2.168
  220    HA   ASN  32           HA       ASN  32  -4.114  -1.553   1.766
  221   1HB   ASN  32          1HB       ASN  32  -3.505  -0.195   3.639
  222   2HB   ASN  32          2HB       ASN  32  -5.165  -0.026   4.177
  223   2HD2  ASN  32          2HD2      ASN  32  -5.951  -1.355   5.655
  224   1HD2  ASN  32          1HD2      ASN  32  -5.179  -2.775   6.277
  225    H    ASN  33           H        ASN  33  -7.461  -0.978   1.788
  226    HA   ASN  33           HA       ASN  33  -8.133  -3.408   3.178
  227   1HB   ASN  33          1HB       ASN  33  -9.586  -1.451   3.541
  228   2HB   ASN  33          2HB       ASN  33  -9.817  -1.244   1.817
  229   2HD2  ASN  33          2HD2      ASN  33 -12.047  -1.329   3.052
  230   1HD2  ASN  33          1HD2      ASN  33 -12.874  -2.848   2.961
  231    H    ARG  34           H        ARG  34  -8.080  -1.903  -0.093
  232    HA   ARG  34           HA       ARG  34  -9.513  -3.837  -1.419
  233   1HB   ARG  34          1HB       ARG  34  -8.349  -1.466  -2.121
  234   2HB   ARG  34          2HB       ARG  34  -7.190  -2.565  -2.843
  235   1HG   ARG  34          1HG       ARG  34  -9.102  -1.876  -4.378
  236   2HG   ARG  34          2HG       ARG  34  -8.875  -3.607  -4.222
  237   1HD   ARG  34          1HD       ARG  34 -10.820  -3.895  -2.937
  238   2HD   ARG  34          2HD       ARG  34 -10.769  -2.267  -2.292
  239    HE   ARG  34           HE       ARG  34 -12.080  -1.574  -4.089
  240   1HH1  ARG  34          1HH1      ARG  34 -10.403  -4.530  -5.004
  241   2HH1  ARG  34          2HH1      ARG  34 -11.190  -4.652  -6.542
  242   1HH2  ARG  34          1HH2      ARG  34 -13.118  -1.734  -6.119
  243   2HH2  ARG  34          2HH2      ARG  34 -12.744  -3.051  -7.181
  244    H    GLY  35           H        GLY  35  -6.284  -3.864  -0.061
  245   1HA   GLY  35          1HA       GLY  35  -5.747  -6.443  -1.409
  246   2HA   GLY  35          2HA       GLY  35  -5.336  -6.078   0.255
  247    H    CYS  36           H        CYS  36  -3.832  -4.110   0.601
  248    HA   CYS  36           HA       CYS  36  -1.457  -4.540  -0.655
  249   1HB   CYS  36          1HB       CYS  36  -3.129  -3.219  -2.457
  250   2HB   CYS  36          2HB       CYS  36  -2.108  -1.951  -1.809
  251    H    CYS  37           H        CYS  37  -0.562  -1.698  -0.706
  252    HA   CYS  37           HA       CYS  37  -1.099  -1.013   2.092
  253   1HB   CYS  37          1HB       CYS  37   1.481  -1.295   0.630
  254   2HB   CYS  37          2HB       CYS  37   1.346   0.018   1.783
  255    H    PHE  38           H        PHE  38  -1.094   1.322   2.535
  256    HA   PHE  38           HA       PHE  38  -1.488   2.892   0.085
  257   1HB   PHE  38          1HB       PHE  38  -3.545   2.586   1.439
  258   2HB   PHE  38          2HB       PHE  38  -2.682   2.970   2.915
  259    HD1  PHE  38           HD1      PHE  38  -4.053   4.387  -0.198
  260    HD2  PHE  38           HD2      PHE  38  -2.340   5.235   3.591
  261    HE1  PHE  38           HE1      PHE  38  -4.716   6.796  -0.437
  262    HE2  PHE  38           HE2      PHE  38  -3.003   7.643   3.352
  263    HZ   PHE  38           HZ       PHE  38  -4.184   8.395   1.341
  264    H    ASP  39           H        ASP  39  -1.249   5.394   0.655
  265    HA   ASP  39           HA       ASP  39   0.412   6.156   2.705
  266   1HB   ASP  39          1HB       ASP  39   2.146   4.798   1.572
  267   2HB   ASP  39          2HB       ASP  39   1.847   5.632   0.060
  268    H    SER  40           H        SER  40   0.606   8.487   2.643
  269    HA   SER  40           HA       SER  40  -0.197   9.727   0.142
  270   1HB   SER  40          1HB       SER  40  -1.700  11.273   1.352
  271   2HB   SER  40          2HB       SER  40  -2.218   9.610   1.548
  272    HG   SER  40           HG       SER  40  -1.912  11.257   3.506
  273    H    ARG  41           H        ARG  41   2.339   9.278   1.892
  274    HA   ARG  41           HA       ARG  41   3.009  11.664   3.085
  275   1HB   ARG  41          1HB       ARG  41   4.188   9.222   2.904
  276   2HB   ARG  41          2HB       ARG  41   5.161  10.061   1.712
  277   1HG   ARG  41          1HG       ARG  41   4.924  11.816   3.973
  278   2HG   ARG  41          2HG       ARG  41   5.304  10.226   4.604
  279   1HD   ARG  41          1HD       ARG  41   7.045  10.360   2.459
  280   2HD   ARG  41          2HD       ARG  41   6.973  12.046   2.930
  281    HE   ARG  41           HE       ARG  41   7.292  10.576   5.322
  282   1HH1  ARG  41          1HH1      ARG  41   9.101  11.134   2.356
  283   2HH1  ARG  41          2HH1      ARG  41  10.647  10.911   3.106
  284   1HH2  ARG  41          1HH2      ARG  41   9.331  10.281   6.312
  285   2HH2  ARG  41          2HH2      ARG  41  10.778  10.423   5.371
  286    H    ILE  42           H        ILE  42   3.260  10.509  -0.304
  287    HA   ILE  42           HA       ILE  42   3.568  13.218  -1.197
  288    HB   ILE  42           HB       ILE  42   5.613  12.156  -2.633
  289   1HG1  ILE  42          1HG1      ILE  42   7.180  11.126  -1.007
  290   2HG1  ILE  42          2HG1      ILE  42   5.894  11.062   0.182
  291   1HG2  ILE  42          1HG2      ILE  42   5.271  14.365  -1.272
  292   2HG2  ILE  42          2HG2      ILE  42   6.223  13.515  -0.030
  293   3HG2  ILE  42          3HG2      ILE  42   6.911  13.784  -1.649
  294   1HD1  ILE  42          1HD1      ILE  42   5.546   9.817  -2.570
  295   2HD1  ILE  42          2HD1      ILE  42   6.318   8.929  -1.234
  296   3HD1  ILE  42          3HD1      ILE  42   4.632   9.480  -1.080
  297    HA   PRO  43           HA       PRO  43   1.209  11.319  -4.293
  298   1HB   PRO  43          1HB       PRO  43   0.927  13.449  -5.981
  299   2HB   PRO  43          2HB       PRO  43  -0.074  13.211  -4.563
  300   1HG   PRO  43          1HG       PRO  43   2.148  15.119  -4.964
  301   2HG   PRO  43          2HG       PRO  43   0.882  15.147  -3.752
  302   1HD   PRO  43          1HD       PRO  43   3.610  14.350  -3.366
  303   2HD   PRO  43          2HD       PRO  43   2.318  14.268  -2.186
  304    H    GLY  44           H        GLY  44   4.095  13.084  -5.169
  305   1HA   GLY  44          1HA       GLY  44   5.782  12.416  -6.527
  306   2HA   GLY  44          2HA       GLY  44   4.513  12.417  -7.734
  307    H    VAL  45           H        VAL  45   4.632  10.193  -4.917
  308    HA   VAL  45           HA       VAL  45   5.409   8.029  -6.728
  309    HB   VAL  45           HB       VAL  45   6.305   6.953  -4.931
  310   1HG1  VAL  45          1HG1      VAL  45   6.465   9.917  -4.428
  311   2HG1  VAL  45          2HG1      VAL  45   7.251   8.774  -3.313
  312   3HG1  VAL  45          3HG1      VAL  45   7.712   8.799  -5.032
  313   1HG2  VAL  45          1HG2      VAL  45   4.201   8.347  -3.278
  314   2HG2  VAL  45          2HG2      VAL  45   4.489   6.604  -3.501
  315   3HG2  VAL  45          3HG2      VAL  45   5.608   7.572  -2.511
  316    HA   PRO  46           HA       PRO  46   1.513   6.175  -6.434
  317   1HB   PRO  46          1HB       PRO  46   1.999   3.508  -6.088
  318   2HB   PRO  46          2HB       PRO  46   2.149   4.316  -7.636
  319   1HG   PRO  46          1HG       PRO  46   4.285   3.399  -5.810
  320   2HG   PRO  46          2HG       PRO  46   4.395   3.810  -7.510
  321   1HD   PRO  46          1HD       PRO  46   5.248   5.422  -5.296
  322   2HD   PRO  46          2HD       PRO  46   5.251   5.879  -6.988
  323    H    TRP  47           H        TRP  47   0.603   7.252  -4.677
  324    HA   TRP  47           HA       TRP  47   1.001   6.929  -2.099
  325   1HB   TRP  47          1HB       TRP  47  -1.504   7.215  -3.685
  326   2HB   TRP  47          2HB       TRP  47  -1.659   6.876  -1.973
  327    HD1  TRP  47           HD1      TRP  47   1.209   9.140  -3.203
  328    HE1  TRP  47           HE1      TRP  47   0.900  11.620  -2.357
  329    HE3  TRP  47           HE3      TRP  47  -3.447   8.458  -1.278
  330    HZ2  TRP  47           HZ2      TRP  47  -1.210  12.988  -1.008
  331    HZ3  TRP  47           HZ3      TRP  47  -4.562  10.418  -0.213
  332    HH2  TRP  47           HH2      TRP  47  -3.519  12.623  -0.061
  333    H    CYS  48           H        CYS  48  -1.016   4.643  -4.087
  334    HA   CYS  48           HA       CYS  48  -0.888   2.744  -1.897
  335   1HB   CYS  48          1HB       CYS  48  -3.011   3.346  -3.228
  336   2HB   CYS  48          2HB       CYS  48  -2.341   2.352  -4.506
  337    H    PHE  49           H        PHE  49   0.907   1.432  -1.868
  338    HA   PHE  49           HA       PHE  49   1.820   0.404  -4.455
  339   1HB   PHE  49          1HB       PHE  49   4.162   0.577  -3.296
  340   2HB   PHE  49          2HB       PHE  49   3.449   2.087  -3.829
  341    HD1  PHE  49           HD1      PHE  49   3.592  -0.100  -0.807
  342    HD2  PHE  49           HD2      PHE  49   3.346   3.850  -2.338
  343    HE1  PHE  49           HE1      PHE  49   3.789   0.816   1.522
  344    HE2  PHE  49           HE2      PHE  49   3.543   4.766  -0.009
  345    HZ   PHE  49           HZ       PHE  49   3.762   3.237   1.893
  346    H    LYS  50           H        LYS  50   3.243  -1.603  -4.162
  347    HA   LYS  50           HA       LYS  50   1.842  -3.453  -2.582
  348   1HB   LYS  50          1HB       LYS  50   4.362  -3.540  -4.230
  349   2HB   LYS  50          2HB       LYS  50   3.892  -4.914  -3.250
  350   1HG   LYS  50          1HG       LYS  50   1.505  -4.147  -4.557
  351   2HG   LYS  50          2HG       LYS  50   2.745  -3.958  -5.781
  352   1HD   LYS  50          1HD       LYS  50   3.344  -6.411  -4.455
  353   2HD   LYS  50          2HD       LYS  50   1.607  -6.413  -4.690
  354   1HE   LYS  50          1HE       LYS  50   2.668  -5.422  -7.130
  355   2HE   LYS  50          2HE       LYS  50   3.738  -6.734  -6.675
  356   1HZ   LYS  50          1HZ       LYS  50   1.408  -7.838  -6.179
  357   2HZ   LYS  50          2HZ       LYS  50   0.948  -6.825  -7.374
  358   3HZ   LYS  50          3HZ       LYS  50   2.127  -7.922  -7.643
  359    HA   PRO  51           HA       PRO  51   3.989  -3.337   1.159
  360   1HB   PRO  51          1HB       PRO  51   4.054  -5.949   1.963
  361   2HB   PRO  51          2HB       PRO  51   2.633  -4.934   2.115
  362   1HG   PRO  51          1HG       PRO  51   3.168  -7.095   0.170
  363   2HG   PRO  51          2HG       PRO  51   1.635  -6.373   0.614
  364   1HD   PRO  51          1HD       PRO  51   3.136  -5.877  -1.779
  365   2HD   PRO  51          2HD       PRO  51   1.663  -5.070  -1.280
  366    H    LEU  52           H        LEU  52   6.009  -2.712   1.541
  367    HA   LEU  52           HA       LEU  52   8.122  -3.248   0.049
  368   1HB   LEU  52          1HB       LEU  52   8.238  -1.707   1.846
  369   2HB   LEU  52          2HB       LEU  52   7.964  -2.957   3.043
  370    HG   LEU  52           HG       LEU  52  10.435  -2.774   1.297
  371   1HD1  LEU  52          1HD1      LEU  52   9.742  -1.087   3.400
  372   2HD1  LEU  52          2HD1      LEU  52  10.838  -2.284   4.134
  373   3HD1  LEU  52          3HD1      LEU  52  11.367  -1.341   2.720
  374   1HD2  LEU  52          1HD2      LEU  52   9.423  -4.781   3.187
  375   2HD2  LEU  52          2HD2      LEU  52  10.657  -4.914   1.911
  376   3HD2  LEU  52          3HD2      LEU  52  11.094  -4.257   3.506
  377    H    GLN  53           H        GLN  53   9.246  -4.981  -0.660
  378    HA   GLN  53           HA       GLN  53   8.518  -7.531   0.228
  379   1HB   GLN  53          1HB       GLN  53  10.062  -8.345  -1.418
  380   2HB   GLN  53          2HB       GLN  53   9.356  -6.887  -2.088
  381   1HG   GLN  53          1HG       GLN  53  12.153  -7.368  -1.103
  382   2HG   GLN  53          2HG       GLN  53  11.610  -6.469  -2.505
  383   2HE2  GLN  53          2HE2      GLN  53  10.379  -4.451  -2.066
  384   1HE2  GLN  53          1HE2      GLN  53  10.902  -3.429  -0.769
  385    H    GLU  54           H        GLU  54   9.015  -6.731   2.622
  386    HA   GLU  54           HA       GLU  54  11.387  -6.307   3.676
  387   1HB   GLU  54          1HB       GLU  54  10.587  -7.277   5.722
  388   2HB   GLU  54          2HB       GLU  54   9.176  -6.666   4.881
  389   1HG   GLU  54          1HG       GLU  54   8.323  -8.757   5.259
  390   2HG   GLU  54          2HG       GLU  54   9.270  -9.210   3.856
  391    H    ALA  55           H        ALA  55  13.387  -7.255   3.745
  392    HA   ALA  55           HA       ALA  55  13.730 -10.048   3.913
  393   1HB   ALA  55          1HB       ALA  55  14.069 -10.700   1.771
  394   2HB   ALA  55          2HB       ALA  55  13.158  -9.234   1.334
  395   3HB   ALA  55          3HB       ALA  55  14.937  -9.202   1.356
  396    H    GLU  56           H        GLU  56  15.435  -7.270   2.290
  397    HA   GLU  56           HA       GLU  56  17.089  -6.815   4.480
  398   1HB   GLU  56          1HB       GLU  56  17.953  -9.096   3.568
  399   2HB   GLU  56          2HB       GLU  56  18.579  -8.180   2.212
  400   1HG   GLU  56          1HG       GLU  56  19.213  -7.487   5.116
  401   2HG   GLU  56          2HG       GLU  56  20.217  -8.549   4.148
  402    H    CYS  57           H        CYS  57  16.632  -4.631   4.044
  403    HA   CYS  57           HA       CYS  57  17.676  -3.668   1.479
  404   1HB   CYS  57          1HB       CYS  57  15.093  -3.406   2.473
  405   2HB   CYS  57          2HB       CYS  57  15.835  -1.860   2.838
  406    H    THR  58           H        THR  58  16.842  -2.514   4.839
  407    HA   THR  58           HA       THR  58  18.908  -0.560   4.817
  408    HB   THR  58           HB       THR  58  17.018  -1.738   6.908
  409    HG1  THR  58           HG1      THR  58  15.868  -0.136   5.908
  410   1HG2  THR  58          1HG2      THR  58  19.419  -0.532   7.607
  411   2HG2  THR  58          2HG2      THR  58  18.345   0.877   7.436
  412   3HG2  THR  58          3HG2      THR  58  17.928  -0.427   8.574
  413    H    PHE  59           H        PHE  59  21.028  -0.800   5.090
  414    HA   PHE  59           HA       PHE  59  22.952  -1.876   5.399
  415   1HB   PHE  59          1HB       PHE  59  21.448  -1.458   7.864
  416   2HB   PHE  59          2HB       PHE  59  22.367  -2.939   8.050
  417    HD1  PHE  59           HD1      PHE  59  23.082   0.382   6.478
  418    HD2  PHE  59           HD2      PHE  59  24.291  -2.591   9.255
  419    HE1  PHE  59           HE1      PHE  59  25.132   1.723   7.022
  420    HE2  PHE  59           HE2      PHE  59  26.341  -1.250   9.799
  421    HZ   PHE  59           HZ       PHE  59  26.737   0.892   8.676

  No H/Q in entry =         421
  Start of MODEL   14
    1    H    GLU   1           H        GLU   1   9.666 -14.194  21.910
    2    HA   GLU   1           HA       GLU   1   7.285 -14.522  20.589
    3   1HB   GLU   1          1HB       GLU   1   8.757 -12.303  21.891
    4   2HB   GLU   1          2HB       GLU   1   7.632 -11.767  20.659
    5   1HG   GLU   1          1HG       GLU   1   6.859 -13.725  22.869
    6   2HG   GLU   1          2HG       GLU   1   6.666 -11.990  23.024
    7    H    GLU   2           H        GLU   2   6.505 -13.998  18.525
    8    HA   GLU   2           HA       GLU   2   8.609 -13.401  16.617
    9   1HB   GLU   2          1HB       GLU   2   6.940 -15.446  16.496
   10   2HB   GLU   2          2HB       GLU   2   5.808 -14.266  15.865
   11   1HG   GLU   2          1HG       GLU   2   8.540 -14.212  14.644
   12   2HG   GLU   2          2HG       GLU   2   7.592 -15.647  14.308
   13    H    TYR   3           H        TYR   3   8.488 -11.627  15.182
   14    HA   TYR   3           HA       TYR   3   7.099  -9.380  16.116
   15   1HB   TYR   3          1HB       TYR   3   9.242  -9.858  14.544
   16   2HB   TYR   3          2HB       TYR   3   8.060  -9.855  13.250
   17    HD1  TYR   3           HD1      TYR   3   8.461  -7.699  16.302
   18    HD2  TYR   3           HD2      TYR   3   8.259  -7.890  12.033
   19    HE1  TYR   3           HE1      TYR   3   8.598  -5.163  16.174
   20    HE2  TYR   3           HE2      TYR   3   8.397  -5.354  11.920
   21    HH   TYR   3           HH       TYR   3   8.327  -3.412  14.861
   22    H    VAL   4           H        VAL   4   5.674  -7.999  14.565
   23    HA   VAL   4           HA       VAL   4   3.931  -9.622  12.915
   24    HB   VAL   4           HB       VAL   4   3.147  -8.356  15.515
   25   1HG1  VAL   4          1HG1      VAL   4   1.647  -8.186  12.996
   26   2HG1  VAL   4          2HG1      VAL   4   0.729  -8.942  14.320
   27   3HG1  VAL   4          3HG1      VAL   4   1.418  -7.314  14.531
   28   1HG2  VAL   4          1HG2      VAL   4   2.924 -11.020  14.191
   29   2HG2  VAL   4          2HG2      VAL   4   3.264 -10.604  15.888
   30   3HG2  VAL   4          3HG2      VAL   4   1.596 -10.527  15.270
   31    H    GLY   5           H        GLY   5   3.879  -8.521  11.030
   32   1HA   GLY   5          1HA       GLY   5   4.733  -6.439   9.999
   33   2HA   GLY   5          2HA       GLY   5   3.794  -5.566  11.194
   34    H    LEU   6           H        LEU   6   1.597  -5.189  10.861
   35    HA   LEU   6           HA       LEU   6   0.440  -6.507   8.505
   36   1HB   LEU   6          1HB       LEU   6  -1.750  -5.810   9.656
   37   2HB   LEU   6          2HB       LEU   6  -0.877  -7.216  10.235
   38    HG   LEU   6           HG       LEU   6  -0.212  -4.659  11.583
   39   1HD1  LEU   6          1HD1      LEU   6  -2.643  -4.416  11.243
   40   2HD1  LEU   6          2HD1      LEU   6  -2.898  -5.984  12.047
   41   3HD1  LEU   6          3HD1      LEU   6  -2.209  -4.619  12.957
   42   1HD2  LEU   6          1HD2      LEU   6  -0.366  -7.554  12.205
   43   2HD2  LEU   6          2HD2      LEU   6   0.827  -6.327  12.696
   44   3HD2  LEU   6          3HD2      LEU   6  -0.738  -6.434  13.538
   45    H    SER   7           H        SER   7   1.622  -3.567   9.881
   46    HA   SER   7           HA       SER   7   0.929  -2.200   7.500
   47   1HB   SER   7          1HB       SER   7  -0.288  -0.324   8.619
   48   2HB   SER   7          2HB       SER   7  -1.177  -1.833   8.671
   49    HG   SER   7           HG       SER   7   0.486  -0.842  10.828
   50    H    ALA   8           H        ALA   8   1.910   0.098   7.545
   51    HA   ALA   8           HA       ALA   8   3.534   1.528   8.047
   52   1HB   ALA   8          1HB       ALA   8   2.888   0.368  10.591
   53   2HB   ALA   8          2HB       ALA   8   4.657   0.539  10.488
   54   3HB   ALA   8          3HB       ALA   8   3.610   1.959  10.248
   55    H    ASN   9           H        ASN   9   4.995  -1.263   9.799
   56    HA   ASN   9           HA       ASN   9   7.409  -1.089   8.642
   57   1HB   ASN   9          1HB       ASN   9   5.832  -3.460   9.714
   58   2HB   ASN   9          2HB       ASN   9   7.438  -3.716   9.061
   59   2HD2  ASN   9          2HD2      ASN   9   5.769  -3.223  11.802
   60   1HD2  ASN   9          1HD2      ASN   9   6.963  -2.490  12.821
   61    H    GLN  10           H        GLN  10   4.477  -2.892   7.526
   62    HA   GLN  10           HA       GLN  10   5.806  -4.068   5.334
   63   1HB   GLN  10          1HB       GLN  10   3.511  -4.640   6.646
   64   2HB   GLN  10          2HB       GLN  10   2.824  -3.723   5.320
   65   1HG   GLN  10          1HG       GLN  10   4.162  -5.210   3.719
   66   2HG   GLN  10          2HG       GLN  10   4.596  -6.198   5.100
   67   2HE2  GLN  10          2HE2      GLN  10   3.187  -7.615   5.946
   68   1HE2  GLN  10          1HE2      GLN  10   1.590  -7.919   5.349
   69    H    CYS  11           H        CYS  11   4.066  -1.032   5.939
   70    HA   CYS  11           HA       CYS  11   4.368  -0.390   3.096
   71   1HB   CYS  11          1HB       CYS  11   2.576   1.221   4.847
   72   2HB   CYS  11          2HB       CYS  11   2.465   0.878   3.132
   73    H    ALA  12           H        ALA  12   6.660  -0.284   4.649
   74    HA   ALA  12           HA       ALA  12   6.901   2.579   5.280
   75   1HB   ALA  12          1HB       ALA  12   8.941   1.595   6.645
   76   2HB   ALA  12          2HB       ALA  12   7.295   1.534   7.320
   77   3HB   ALA  12          3HB       ALA  12   8.001   0.086   6.563
   78    H    VAL  13           H        VAL  13   7.036   2.146   2.657
   79    HA   VAL  13           HA       VAL  13   9.776   1.478   1.956
   80    HB   VAL  13           HB       VAL  13   7.908   2.431  -0.111
   81   1HG1  VAL  13          1HG1      VAL  13  10.103   0.525   0.226
   82   2HG1  VAL  13          2HG1      VAL  13   8.753  -0.139  -0.724
   83   3HG1  VAL  13          3HG1      VAL  13   9.538   1.376  -1.232
   84   1HG2  VAL  13          1HG2      VAL  13   7.235   0.079   1.657
   85   2HG2  VAL  13          2HG2      VAL  13   6.180   1.392   1.082
   86   3HG2  VAL  13          3HG2      VAL  13   6.728   0.131  -0.049
   87    HA   PRO  14           HA       PRO  14  10.991   5.615   1.681
   88   1HB   PRO  14          1HB       PRO  14  13.044   5.466  -0.117
   89   2HB   PRO  14          2HB       PRO  14  13.216   5.034   1.572
   90   1HG   PRO  14          1HG       PRO  14  13.028   3.260  -0.785
   91   2HG   PRO  14          2HG       PRO  14  13.616   2.889   0.823
   92   1HD   PRO  14          1HD       PRO  14  11.073   2.159  -0.285
   93   2HD   PRO  14          2HD       PRO  14  11.615   1.891   1.360
   94    H    ALA  15           H        ALA  15   9.230   4.182  -0.612
   95    HA   ALA  15           HA       ALA  15   7.826   5.185  -2.057
   96   1HB   ALA  15          1HB       ALA  15   8.755   7.400  -0.754
   97   2HB   ALA  15          2HB       ALA  15   7.618   7.451  -2.123
   98   3HB   ALA  15          3HB       ALA  15   9.358   7.705  -2.401
   99    H    LYS  16           H        LYS  16  11.345   5.212  -2.290
  100    HA   LYS  16           HA       LYS  16  11.253   5.300  -5.186
  101   1HB   LYS  16          1HB       LYS  16  13.671   5.345  -5.054
  102   2HB   LYS  16          2HB       LYS  16  12.990   6.548  -3.977
  103   1HG   LYS  16          1HG       LYS  16  14.615   5.531  -2.611
  104   2HG   LYS  16          2HG       LYS  16  13.156   4.687  -2.132
  105   1HD   LYS  16          1HD       LYS  16  13.925   2.691  -2.920
  106   2HD   LYS  16          2HD       LYS  16  14.418   3.392  -4.448
  107   1HE   LYS  16          1HE       LYS  16  16.591   3.777  -3.738
  108   2HE   LYS  16          2HE       LYS  16  16.108   4.136  -2.092
  109   1HZ   LYS  16          1HZ       LYS  16  15.977   1.427  -3.209
  110   2HZ   LYS  16          2HZ       LYS  16  17.295   1.999  -2.433
  111   3HZ   LYS  16          3HZ       LYS  16  15.875   1.863  -1.639
  112    H    ASP  17           H        ASP  17  10.318   3.051  -3.058
  113    HA   ASP  17           HA       ASP  17  11.437   0.925  -4.705
  114   1HB   ASP  17          1HB       ASP  17  11.759   1.317  -1.882
  115   2HB   ASP  17          2HB       ASP  17  10.657  -0.032  -2.071
  116    H    ARG  18           H        ARG  18   8.845   2.636  -4.583
  117    HA   ARG  18           HA       ARG  18   6.866   0.866  -3.623
  118   1HB   ARG  18          1HB       ARG  18   6.419   3.176  -5.565
  119   2HB   ARG  18          2HB       ARG  18   5.285   2.532  -4.394
  120   1HG   ARG  18          1HG       ARG  18   7.926   3.648  -3.420
  121   2HG   ARG  18          2HG       ARG  18   6.648   4.759  -3.870
  122   1HD   ARG  18          1HD       ARG  18   5.294   2.878  -2.298
  123   2HD   ARG  18          2HD       ARG  18   6.851   2.994  -1.502
  124    HE   ARG  18           HE       ARG  18   5.553   5.564  -2.206
  125   1HH1  ARG  18          1HH1      ARG  18   6.242   3.163   0.272
  126   2HH1  ARG  18          2HH1      ARG  18   5.900   4.236   1.588
  127   1HH2  ARG  18          1HH2      ARG  18   5.101   6.981  -0.470
  128   2HH2  ARG  18          2HH2      ARG  18   5.247   6.422   1.163
  129    H    VAL  19           H        VAL  19   5.569  -0.600  -4.800
  130    HA   VAL  19           HA       VAL  19   6.503  -1.131  -7.512
  131    HB   VAL  19           HB       VAL  19   4.883  -2.736  -5.528
  132   1HG1  VAL  19          1HG1      VAL  19   5.708  -3.371  -8.374
  133   2HG1  VAL  19          2HG1      VAL  19   5.243  -4.618  -7.192
  134   3HG1  VAL  19          3HG1      VAL  19   4.071  -3.368  -7.675
  135   1HG2  VAL  19          1HG2      VAL  19   7.612  -2.305  -5.630
  136   2HG2  VAL  19          2HG2      VAL  19   6.802  -3.687  -4.854
  137   3HG2  VAL  19          3HG2      VAL  19   7.418  -3.835  -6.517
  138    H    ASP  20           H        ASP  20   4.217   0.767  -6.011
  139    HA   ASP  20           HA       ASP  20   2.285   1.603  -6.553
  140   1HB   ASP  20          1HB       ASP  20   3.363   2.579  -8.440
  141   2HB   ASP  20          2HB       ASP  20   3.511   1.042  -9.268
  142    H    CYS  21           H        CYS  21   0.648   0.190  -5.794
  143    HA   CYS  21           HA       CYS  21   0.157  -2.304  -7.024
  144   1HB   CYS  21          1HB       CYS  21  -0.401  -1.231  -4.595
  145   2HB   CYS  21          2HB       CYS  21  -1.970  -1.093  -5.364
  146    H    GLY  22           H        GLY  22  -0.818   1.029  -7.556
  147   1HA   GLY  22          1HA       GLY  22  -2.131   0.424  -9.985
  148   2HA   GLY  22          2HA       GLY  22  -2.067   1.974  -9.172
  149    H    TYR  23           H        TYR  23  -3.758   2.627  -7.748
  150    HA   TYR  23           HA       TYR  23  -6.175   1.008  -8.047
  151   1HB   TYR  23          1HB       TYR  23  -4.647   1.916  -5.582
  152   2HB   TYR  23          2HB       TYR  23  -6.395   1.997  -5.485
  153    HD1  TYR  23           HD1      TYR  23  -7.645  -0.238  -6.270
  154    HD2  TYR  23           HD2      TYR  23  -3.595  -0.043  -4.906
  155    HE1  TYR  23           HE1      TYR  23  -7.719  -2.708  -5.675
  156    HE2  TYR  23           HE2      TYR  23  -3.683  -2.514  -4.315
  157    HH   TYR  23           HH       TYR  23  -5.363  -4.167  -3.744
  158    HA   PRO  24           HA       PRO  24  -7.911   4.908  -8.764
  159   1HB   PRO  24          1HB       PRO  24 -10.565   4.356  -8.425
  160   2HB   PRO  24          2HB       PRO  24  -9.690   3.985  -9.897
  161   1HG   PRO  24          1HG       PRO  24 -10.585   2.149  -7.759
  162   2HG   PRO  24          2HG       PRO  24 -10.103   1.770  -9.400
  163   1HD   PRO  24          1HD       PRO  24  -8.544   1.390  -7.022
  164   2HD   PRO  24          2HD       PRO  24  -8.021   1.121  -8.673
  165    H    HIS  25           H        HIS  25 -10.083   3.686  -6.278
  166    HA   HIS  25           HA       HIS  25  -9.701   6.197  -4.899
  167   1HB   HIS  25          1HB       HIS  25 -11.622   5.575  -3.603
  168   2HB   HIS  25          2HB       HIS  25 -11.967   5.302  -5.299
  169    HD1  HIS  25           HD1      HIS  25 -13.747   3.812  -3.436
  170    HD2  HIS  25           HD2      HIS  25 -10.043   2.266  -4.656
  171    HE1  HIS  25           HE1      HIS  25 -13.881   1.286  -3.099
  172    HE2  HIS  25           HE2      HIS  25 -11.597   0.386  -3.917
  173    H    VAL  26           H        VAL  26  -7.504   5.939  -4.180
  174    HA   VAL  26           HA       VAL  26  -7.045   3.720  -2.345
  175    HB   VAL  26           HB       VAL  26  -4.699   4.532  -2.432
  176   1HG1  VAL  26          1HG1      VAL  26  -6.014   3.915  -5.100
  177   2HG1  VAL  26          2HG1      VAL  26  -4.271   3.791  -4.760
  178   3HG1  VAL  26          3HG1      VAL  26  -5.422   2.736  -3.905
  179   1HG2  VAL  26          1HG2      VAL  26  -5.786   6.896  -3.355
  180   2HG2  VAL  26          2HG2      VAL  26  -4.064   6.449  -3.415
  181   3HG2  VAL  26          3HG2      VAL  26  -5.104   6.175  -4.833
  182    H    THR  27           H        THR  27  -6.837   3.976  -0.141
  183    HA   THR  27           HA       THR  27  -6.551   6.641   0.950
  184    HB   THR  27           HB       THR  27  -8.684   6.763   1.962
  185    HG1  THR  27           HG1      THR  27  -9.892   4.722   2.241
  186   1HG2  THR  27          1HG2      THR  27  -9.141   5.096  -0.568
  187   2HG2  THR  27          2HG2      THR  27 -10.430   5.931   0.332
  188   3HG2  THR  27          3HG2      THR  27  -9.147   6.873  -0.465
  189    HA   PRO  28           HA       PRO  28  -4.687   4.502   4.174
  190   1HB   PRO  28          1HB       PRO  28  -5.394   5.843   6.447
  191   2HB   PRO  28          2HB       PRO  28  -4.170   6.421   5.335
  192   1HG   PRO  28          1HG       PRO  28  -6.937   7.391   5.713
  193   2HG   PRO  28          2HG       PRO  28  -5.587   8.198   4.940
  194   1HD   PRO  28          1HD       PRO  28  -7.798   6.919   3.634
  195   2HD   PRO  28          2HD       PRO  28  -6.391   7.624   2.863
  196    H    LYS  29           H        LYS  29  -7.050   3.252   3.273
  197    HA   LYS  29           HA       LYS  29  -7.335   1.376   5.301
  198   1HB   LYS  29          1HB       LYS  29  -8.579   3.470   6.263
  199   2HB   LYS  29          2HB       LYS  29  -9.849   3.021   5.142
  200   1HG   LYS  29          1HG       LYS  29  -8.997   0.604   6.436
  201   2HG   LYS  29          2HG       LYS  29  -9.175   1.813   7.692
  202   1HD   LYS  29          1HD       LYS  29 -11.376   1.833   5.695
  203   2HD   LYS  29          2HD       LYS  29 -11.253   0.332   6.591
  204   1HE   LYS  29          1HE       LYS  29 -11.988   1.293   8.531
  205   2HE   LYS  29          2HE       LYS  29 -10.950   2.692   8.339
  206   1HZ   LYS  29          1HZ       LYS  29 -13.090   2.598   6.458
  207   2HZ   LYS  29          2HZ       LYS  29 -13.599   2.695   8.006
  208   3HZ   LYS  29          3HZ       LYS  29 -12.590   3.831   7.406
  209    H    GLU  30           H        GLU  30  -8.919   3.125   2.575
  210    HA   GLU  30           HA       GLU  30 -10.248   0.790   1.701
  211   1HB   GLU  30          1HB       GLU  30 -11.154   3.020   1.222
  212   2HB   GLU  30          2HB       GLU  30  -9.708   3.463   0.337
  213   1HG   GLU  30          1HG       GLU  30 -10.365   2.344  -1.551
  214   2HG   GLU  30          2HG       GLU  30 -10.931   0.953  -0.648
  215    H    CYS  31           H        CYS  31  -7.169   2.461   0.938
  216    HA   CYS  31           HA       CYS  31  -6.630   0.843  -1.330
  217   1HB   CYS  31          1HB       CYS  31  -5.545   2.848  -1.475
  218   2HB   CYS  31          2HB       CYS  31  -5.179   2.917   0.237
  219    H    ASN  32           H        ASN  32  -6.228   0.647   2.178
  220    HA   ASN  32           HA       ASN  32  -4.345  -1.518   1.909
  221   1HB   ASN  32          1HB       ASN  32  -5.601  -0.528   4.506
  222   2HB   ASN  32          2HB       ASN  32  -4.061  -1.338   4.302
  223   2HD2  ASN  32          2HD2      ASN  32  -2.407  -0.072   4.589
  224   1HD2  ASN  32          1HD2      ASN  32  -2.264   1.598   4.152
  225    H    ASN  33           H        ASN  33  -7.629  -1.123   1.594
  226    HA   ASN  33           HA       ASN  33  -8.316  -3.477   3.138
  227   1HB   ASN  33          1HB       ASN  33  -9.862  -1.632   3.468
  228   2HB   ASN  33          2HB       ASN  33  -9.961  -1.312   1.748
  229   2HD2  ASN  33          2HD2      ASN  33 -12.195  -1.479   1.789
  230   1HD2  ASN  33          1HD2      ASN  33 -13.030  -2.993   1.886
  231    H    ARG  34           H        ARG  34  -8.352  -2.017  -0.171
  232    HA   ARG  34           HA       ARG  34  -9.664  -4.020  -1.477
  233   1HB   ARG  34          1HB       ARG  34  -8.549  -1.645  -2.215
  234   2HB   ARG  34          2HB       ARG  34  -7.334  -2.722  -2.874
  235   1HG   ARG  34          1HG       ARG  34 -10.327  -2.949  -3.446
  236   2HG   ARG  34          2HG       ARG  34  -9.177  -2.162  -4.508
  237   1HD   ARG  34          1HD       ARG  34  -7.869  -4.476  -4.347
  238   2HD   ARG  34          2HD       ARG  34  -9.421  -5.107  -3.836
  239    HE   ARG  34           HE       ARG  34  -8.720  -4.147  -6.519
  240   1HH1  ARG  34          1HH1      ARG  34 -11.356  -4.840  -4.292
  241   2HH1  ARG  34          2HH1      ARG  34 -12.534  -5.036  -5.547
  242   1HH2  ARG  34          1HH2      ARG  34 -10.274  -4.406  -8.174
  243   2HH2  ARG  34          2HH2      ARG  34 -11.914  -4.788  -7.770
  244    H    GLY  35           H        GLY  35  -6.342  -3.837  -0.244
  245   1HA   GLY  35          1HA       GLY  35  -5.769  -6.472  -1.466
  246   2HA   GLY  35          2HA       GLY  35  -5.389  -6.072   0.197
  247    H    CYS  36           H        CYS  36  -3.889  -4.152   0.576
  248    HA   CYS  36           HA       CYS  36  -1.515  -4.509  -0.681
  249   1HB   CYS  36          1HB       CYS  36  -3.222  -3.157  -2.458
  250   2HB   CYS  36          2HB       CYS  36  -2.147  -1.928  -1.824
  251    H    CYS  37           H        CYS  37  -0.612  -1.696  -0.688
  252    HA   CYS  37           HA       CYS  37  -1.200  -1.018   2.103
  253   1HB   CYS  37          1HB       CYS  37   1.395  -1.276   0.665
  254   2HB   CYS  37          2HB       CYS  37   1.240   0.037   1.816
  255    H    PHE  38           H        PHE  38  -1.198   1.319   2.561
  256    HA   PHE  38           HA       PHE  38  -1.567   2.905   0.116
  257   1HB   PHE  38          1HB       PHE  38  -3.660   2.551   1.405
  258   2HB   PHE  38          2HB       PHE  38  -2.849   2.939   2.909
  259    HD1  PHE  38           HD1      PHE  38  -4.042   4.380  -0.281
  260    HD2  PHE  38           HD2      PHE  38  -2.670   5.178   3.654
  261    HE1  PHE  38           HE1      PHE  38  -4.737   6.779  -0.525
  262    HE2  PHE  38           HE2      PHE  38  -3.365   7.577   3.410
  263    HZ   PHE  38           HZ       PHE  38  -4.390   8.349   1.323
  264    H    ASP  39           H        ASP  39  -1.375   5.401   0.715
  265    HA   ASP  39           HA       ASP  39   0.228   6.144   2.828
  266   1HB   ASP  39          1HB       ASP  39   2.035   4.895   1.748
  267   2HB   ASP  39          2HB       ASP  39   1.693   5.642   0.200
  268    H    SER  40           H        SER  40   0.492   8.494   2.787
  269    HA   SER  40           HA       SER  40  -0.422   9.763   0.337
  270   1HB   SER  40          1HB       SER  40  -1.906  11.250   1.559
  271   2HB   SER  40          2HB       SER  40  -2.332   9.598   1.956
  272    HG   SER  40           HG       SER  40  -1.853  11.483   3.696
  273    H    ARG  41           H        ARG  41   2.170   9.273   2.073
  274    HA   ARG  41           HA       ARG  41   2.936  11.638   3.202
  275   1HB   ARG  41          1HB       ARG  41   4.082   9.186   2.922
  276   2HB   ARG  41          2HB       ARG  41   5.006  10.040   1.703
  277   1HG   ARG  41          1HG       ARG  41   5.161  11.870   3.720
  278   2HG   ARG  41          2HG       ARG  41   4.982  10.415   4.680
  279   1HD   ARG  41          1HD       ARG  41   6.997  10.483   2.410
  280   2HD   ARG  41          2HD       ARG  41   7.400  11.207   3.953
  281    HE   ARG  41           HE       ARG  41   6.316   8.495   4.201
  282   1HH1  ARG  41          1HH1      ARG  41   9.233  10.401   3.707
  283   2HH1  ARG  41          2HH1      ARG  41  10.295   9.159   4.282
  284   1HH2  ARG  41          1HH2      ARG  41   7.716   6.857   4.959
  285   2HH2  ARG  41          2HH2      ARG  41   9.426   7.130   4.999
  286    H    ILE  42           H        ILE  42   3.542  10.393  -0.165
  287    HA   ILE  42           HA       ILE  42   3.654  13.161  -1.065
  288    HB   ILE  42           HB       ILE  42   5.641  12.015  -2.556
  289   1HG1  ILE  42          1HG1      ILE  42   7.233  11.031  -0.930
  290   2HG1  ILE  42          2HG1      ILE  42   5.981  11.042   0.296
  291   1HG2  ILE  42          1HG2      ILE  42   5.407  14.006  -0.408
  292   2HG2  ILE  42          2HG2      ILE  42   7.040  13.324  -0.600
  293   3HG2  ILE  42          3HG2      ILE  42   6.230  14.097  -1.984
  294   1HD1  ILE  42          1HD1      ILE  42   5.070   9.796  -2.219
  295   2HD1  ILE  42          2HD1      ILE  42   6.473   8.969  -1.501
  296   3HD1  ILE  42          3HD1      ILE  42   4.982   9.180  -0.551
  297    HA   PRO  43           HA       PRO  43   1.180  11.343  -4.119
  298   1HB   PRO  43          1HB       PRO  43   0.911  13.490  -5.787
  299   2HB   PRO  43          2HB       PRO  43  -0.062  13.268  -4.347
  300   1HG   PRO  43          1HG       PRO  43   2.197  15.123  -4.790
  301   2HG   PRO  43          2HG       PRO  43   0.961  15.175  -3.548
  302   1HD   PRO  43          1HD       PRO  43   3.677  14.307  -3.232
  303   2HD   PRO  43          2HD       PRO  43   2.411  14.250  -2.022
  304    H    GLY  44           H        GLY  44   4.072  13.062  -5.073
  305   1HA   GLY  44          1HA       GLY  44   5.716  12.352  -6.467
  306   2HA   GLY  44          2HA       GLY  44   4.418  12.398  -7.643
  307    H    VAL  45           H        VAL  45   4.847  10.161  -4.827
  308    HA   VAL  45           HA       VAL  45   5.449   7.997  -6.671
  309    HB   VAL  45           HB       VAL  45   6.340   6.901  -4.888
  310   1HG1  VAL  45          1HG1      VAL  45   7.179   9.407  -5.150
  311   2HG1  VAL  45          2HG1      VAL  45   6.540   9.544  -3.494
  312   3HG1  VAL  45          3HG1      VAL  45   7.803   8.345  -3.865
  313   1HG2  VAL  45          1HG2      VAL  45   4.240   8.278  -3.211
  314   2HG2  VAL  45          2HG2      VAL  45   4.496   6.538  -3.485
  315   3HG2  VAL  45          3HG2      VAL  45   5.632   7.455  -2.466
  316    HA   PRO  46           HA       PRO  46   1.536   6.174  -6.394
  317   1HB   PRO  46          1HB       PRO  46   1.990   3.503  -6.038
  318   2HB   PRO  46          2HB       PRO  46   2.159   4.306  -7.586
  319   1HG   PRO  46          1HG       PRO  46   4.272   3.370  -5.743
  320   2HG   PRO  46          2HG       PRO  46   4.399   3.775  -7.443
  321   1HD   PRO  46          1HD       PRO  46   5.254   5.384  -5.227
  322   2HD   PRO  46          2HD       PRO  46   5.274   5.836  -6.920
  323    H    TRP  47           H        TRP  47   0.591   7.245  -4.661
  324    HA   TRP  47           HA       TRP  47   0.973   6.940  -2.075
  325   1HB   TRP  47          1HB       TRP  47  -1.497   7.254  -3.698
  326   2HB   TRP  47          2HB       TRP  47  -1.704   6.870  -2.001
  327    HD1  TRP  47           HD1      TRP  47   1.215   9.149  -3.063
  328    HE1  TRP  47           HE1      TRP  47   0.883  11.610  -2.169
  329    HE3  TRP  47           HE3      TRP  47  -3.521   8.449  -1.348
  330    HZ2  TRP  47           HZ2      TRP  47  -1.274  12.957  -0.874
  331    HZ3  TRP  47           HZ3      TRP  47  -4.669  10.388  -0.282
  332    HH2  TRP  47           HH2      TRP  47  -3.621  12.583  -0.032
  333    H    CYS  48           H        CYS  48  -1.015   4.642  -4.077
  334    HA   CYS  48           HA       CYS  48  -0.933   2.760  -1.872
  335   1HB   CYS  48          1HB       CYS  48  -3.023   3.348  -3.263
  336   2HB   CYS  48          2HB       CYS  48  -2.319   2.342  -4.512
  337    H    PHE  49           H        PHE  49   0.883   1.478  -1.787
  338    HA   PHE  49           HA       PHE  49   1.860   0.428  -4.343
  339   1HB   PHE  49          1HB       PHE  49   4.166   0.605  -3.116
  340   2HB   PHE  49          2HB       PHE  49   3.468   2.114  -3.671
  341    HD1  PHE  49           HD1      PHE  49   3.603  -0.067  -0.650
  342    HD2  PHE  49           HD2      PHE  49   3.242   3.875  -2.179
  343    HE1  PHE  49           HE1      PHE  49   3.732   0.850   1.683
  344    HE2  PHE  49           HE2      PHE  49   3.370   4.792   0.154
  345    HZ   PHE  49           HZ       PHE  49   3.613   3.268   2.057
  346    H    LYS  50           H        LYS  50   3.206  -1.601  -4.048
  347    HA   LYS  50           HA       LYS  50   1.782  -3.413  -2.436
  348   1HB   LYS  50          1HB       LYS  50   4.458  -3.805  -3.806
  349   2HB   LYS  50          2HB       LYS  50   3.356  -5.059  -3.274
  350   1HG   LYS  50          1HG       LYS  50   1.588  -3.950  -4.818
  351   2HG   LYS  50          2HG       LYS  50   2.910  -3.020  -5.493
  352   1HD   LYS  50          1HD       LYS  50   2.927  -4.841  -6.943
  353   2HD   LYS  50          2HD       LYS  50   4.075  -5.404  -5.745
  354   1HE   LYS  50          1HE       LYS  50   2.527  -6.895  -4.755
  355   2HE   LYS  50          2HE       LYS  50   1.135  -6.010  -5.349
  356   1HZ   LYS  50          1HZ       LYS  50   1.755  -6.714  -7.586
  357   2HZ   LYS  50          2HZ       LYS  50   2.987  -7.600  -6.983
  358   3HZ   LYS  50          3HZ       LYS  50   1.445  -7.987  -6.611
  359    HA   PRO  51           HA       PRO  51   4.046  -3.392   1.240
  360   1HB   PRO  51          1HB       PRO  51   4.199  -6.020   1.974
  361   2HB   PRO  51          2HB       PRO  51   2.758  -5.048   2.190
  362   1HG   PRO  51          1HG       PRO  51   3.294  -7.145   0.176
  363   2HG   PRO  51          2HG       PRO  51   1.756  -6.474   0.679
  364   1HD   PRO  51          1HD       PRO  51   3.179  -5.879  -1.739
  365   2HD   PRO  51          2HD       PRO  51   1.699  -5.124  -1.181
  366    H    LEU  52           H        LEU  52   6.061  -2.757   1.636
  367    HA   LEU  52           HA       LEU  52   8.148  -3.182   0.061
  368   1HB   LEU  52          1HB       LEU  52   8.302  -1.696   1.885
  369   2HB   LEU  52          2HB       LEU  52   8.031  -2.967   3.060
  370    HG   LEU  52           HG       LEU  52  10.493  -2.778   1.305
  371   1HD1  LEU  52          1HD1      LEU  52   9.860  -1.583   3.973
  372   2HD1  LEU  52          2HD1      LEU  52  11.507  -2.184   3.665
  373   3HD1  LEU  52          3HD1      LEU  52  10.808  -0.927   2.616
  374   1HD2  LEU  52          1HD2      LEU  52   9.466  -4.807   3.123
  375   2HD2  LEU  52          2HD2      LEU  52  10.801  -4.886   1.948
  376   3HD2  LEU  52          3HD2      LEU  52  11.092  -4.246   3.584
  377    H    GLN  53           H        GLN  53   9.429  -4.821  -0.645
  378    HA   GLN  53           HA       GLN  53   8.727  -7.433   0.046
  379   1HB   GLN  53          1HB       GLN  53  10.956  -7.911  -1.280
  380   2HB   GLN  53          2HB       GLN  53   9.567  -7.254  -2.122
  381   1HG   GLN  53          1HG       GLN  53  11.732  -6.058  -2.647
  382   2HG   GLN  53          2HG       GLN  53  10.471  -5.000  -2.045
  383   2HE2  GLN  53          2HE2      GLN  53  10.878  -3.741  -0.382
  384   1HE2  GLN  53          1HE2      GLN  53  12.230  -3.848   0.696
  385    H    GLU  54           H        GLU  54   9.052  -6.717   2.515
  386    HA   GLU  54           HA       GLU  54  11.359  -6.333   3.728
  387   1HB   GLU  54          1HB       GLU  54  10.380  -7.204   5.679
  388   2HB   GLU  54          2HB       GLU  54   8.984  -6.834   4.687
  389   1HG   GLU  54          1HG       GLU  54   9.115  -9.282   3.844
  390   2HG   GLU  54          2HG       GLU  54  10.263  -9.562   5.139
  391    H    ALA  55           H        ALA  55  13.368  -7.230   3.623
  392    HA   ALA  55           HA       ALA  55  13.638 -10.091   3.700
  393   1HB   ALA  55          1HB       ALA  55  13.547 -10.193   1.407
  394   2HB   ALA  55          2HB       ALA  55  15.258  -9.736   1.579
  395   3HB   ALA  55          3HB       ALA  55  14.039  -8.495   1.202
  396    H    GLU  56           H        GLU  56  14.841  -9.942   5.580
  397    HA   GLU  56           HA       GLU  56  16.630  -9.688   6.790
  398   1HB   GLU  56          1HB       GLU  56  17.742  -9.962   4.349
  399   2HB   GLU  56          2HB       GLU  56  18.256  -8.317   4.666
  400   1HG   GLU  56          1HG       GLU  56  20.009  -9.321   5.748
  401   2HG   GLU  56          2HG       GLU  56  18.875  -9.464   7.076
  402    H    CYS  57           H        CYS  57  16.546  -6.832   4.528
  403    HA   CYS  57           HA       CYS  57  15.749  -5.117   6.639
  404   1HB   CYS  57          1HB       CYS  57  18.468  -5.564   6.586
  405   2HB   CYS  57          2HB       CYS  57  18.308  -4.109   5.621
  406    H    THR  58           H        THR  58  17.705  -5.093   3.559
  407    HA   THR  58           HA       THR  58  15.578  -4.175   1.974
  408    HB   THR  58           HB       THR  58  15.788  -2.083   3.250
  409    HG1  THR  58           HG1      THR  58  15.881  -0.991   1.304
  410   1HG2  THR  58          1HG2      THR  58  18.377  -2.638   3.744
  411   2HG2  THR  58          2HG2      THR  58  18.615  -1.706   2.246
  412   3HG2  THR  58          3HG2      THR  58  17.809  -0.953   3.644
  413    H    PHE  59           H        PHE  59  19.146  -4.098   2.511
  414    HA   PHE  59           HA       PHE  59  19.631  -5.740   0.315
  415   1HB   PHE  59          1HB       PHE  59  18.881  -3.544  -0.816
  416   2HB   PHE  59          2HB       PHE  59  20.234  -2.743  -0.043
  417    HD1  PHE  59           HD1      PHE  59  22.591  -3.814  -0.526
  418    HD2  PHE  59           HD2      PHE  59  19.157  -4.394  -2.951
  419    HE1  PHE  59           HE1      PHE  59  24.063  -4.431  -2.463
  420    HE2  PHE  59           HE2      PHE  59  20.629  -5.011  -4.888
  421    HZ   PHE  59           HZ       PHE  59  23.064  -5.022  -4.621

  No H/Q in entry =         421
  Start of MODEL   15
    1    H    GLU   1           H        GLU   1   3.816 -14.600  19.565
    2    HA   GLU   1           HA       GLU   1   5.483 -14.684  20.984
    3   1HB   GLU   1          1HB       GLU   1   6.655 -16.330  18.796
    4   2HB   GLU   1          2HB       GLU   1   7.830 -15.568  19.849
    5   1HG   GLU   1          1HG       GLU   1   5.491 -16.890  21.192
    6   2HG   GLU   1          2HG       GLU   1   6.653 -17.954  20.424
    7    H    GLU   2           H        GLU   2   6.380 -13.693  17.630
    8    HA   GLU   2           HA       GLU   2   6.887 -11.082  18.452
    9   1HB   GLU   2          1HB       GLU   2   9.003 -12.544  19.207
   10   2HB   GLU   2          2HB       GLU   2   9.460 -12.348  17.526
   11   1HG   GLU   2          1HG       GLU   2   8.521  -9.845  18.842
   12   2HG   GLU   2          2HG       GLU   2   9.992 -10.511  19.524
   13    H    TYR   3           H        TYR   3   5.667 -10.411  16.689
   14    HA   TYR   3           HA       TYR   3   6.937 -10.750  14.098
   15   1HB   TYR   3          1HB       TYR   3   5.046 -12.548  14.779
   16   2HB   TYR   3          2HB       TYR   3   3.940 -11.215  14.515
   17    HD1  TYR   3           HD1      TYR   3   6.932 -12.593  12.696
   18    HD2  TYR   3           HD2      TYR   3   2.852 -11.325  12.478
   19    HE1  TYR   3           HE1      TYR   3   6.897 -13.109  10.206
   20    HE2  TYR   3           HE2      TYR   3   2.830 -11.845   9.990
   21    HH   TYR   3           HH       TYR   3   4.523 -13.706   8.526
   22    H    VAL   4           H        VAL   4   6.634  -8.979  12.749
   23    HA   VAL   4           HA       VAL   4   4.485  -7.174  13.116
   24    HB   VAL   4           HB       VAL   4   5.711  -6.523  15.082
   25   1HG1  VAL   4          1HG1      VAL   4   7.960  -7.370  13.920
   26   2HG1  VAL   4          2HG1      VAL   4   8.118  -5.636  13.550
   27   3HG1  VAL   4          3HG1      VAL   4   7.967  -6.176  15.239
   28   1HG2  VAL   4          1HG2      VAL   4   4.761  -4.813  13.276
   29   2HG2  VAL   4          2HG2      VAL   4   5.601  -4.257  14.744
   30   3HG2  VAL   4          3HG2      VAL   4   6.472  -4.331  13.193
   31    H    GLY   5           H        GLY   5   4.368  -7.823  10.856
   32   1HA   GLY   5          1HA       GLY   5   5.727  -8.000   8.784
   33   2HA   GLY   5          2HA       GLY   5   6.395  -6.436   9.205
   34    H    LEU   6           H        LEU   6   3.206  -6.450  10.316
   35    HA   LEU   6           HA       LEU   6   2.242  -5.347   7.769
   36   1HB   LEU   6          1HB       LEU   6   0.174  -6.052   9.673
   37   2HB   LEU   6          2HB       LEU   6   0.346  -6.471   7.980
   38    HG   LEU   6           HG       LEU   6   0.273  -8.510   9.162
   39   1HD1  LEU   6          1HD1      LEU   6   2.504  -7.798   7.639
   40   2HD1  LEU   6          2HD1      LEU   6   3.164  -8.678   9.039
   41   3HD1  LEU   6          3HD1      LEU   6   1.928  -9.441   8.010
   42   1HD2  LEU   6          1HD2      LEU   6   1.451  -7.035  11.274
   43   2HD2  LEU   6          2HD2      LEU   6   0.814  -8.697  11.303
   44   3HD2  LEU   6          3HD2      LEU   6   2.529  -8.408  10.925
   45    H    SER   7           H        SER   7   0.693  -3.506   7.986
   46    HA   SER   7           HA       SER   7   0.206  -1.510   8.683
   47   1HB   SER   7          1HB       SER   7  -0.409  -1.156  10.957
   48   2HB   SER   7          2HB       SER   7  -0.688  -2.862  10.671
   49    HG   SER   7           HG       SER   7   1.247  -1.591  12.301
   50    H    ALA   8           H        ALA   8   1.794  -0.133   7.899
   51    HA   ALA   8           HA       ALA   8   3.425   1.386   8.130
   52   1HB   ALA   8          1HB       ALA   8   4.333   1.895  10.183
   53   2HB   ALA   8          2HB       ALA   8   4.566   0.187  10.626
   54   3HB   ALA   8          3HB       ALA   8   2.948   0.920  10.729
   55    H    ASN   9           H        ASN   9   4.704  -1.673   9.635
   56    HA   ASN   9           HA       ASN   9   7.130  -1.642   8.512
   57   1HB   ASN   9          1HB       ASN   9   5.379  -4.142   8.783
   58   2HB   ASN   9          2HB       ASN   9   7.131  -4.116   8.769
   59   2HD2  ASN   9          2HD2      ASN   9   4.233  -3.300  10.537
   60   1HD2  ASN   9          1HD2      ASN   9   4.947  -3.085  12.100
   61    H    GLN  10           H        GLN  10   4.384  -3.680   7.227
   62    HA   GLN  10           HA       GLN  10   5.477  -4.364   4.875
   63   1HB   GLN  10          1HB       GLN  10   3.019  -4.396   4.031
   64   2HB   GLN  10          2HB       GLN  10   3.422  -5.381   5.423
   65   1HG   GLN  10          1HG       GLN  10   2.604  -3.567   6.943
   66   2HG   GLN  10          2HG       GLN  10   2.200  -2.583   5.550
   67   2HE2  GLN  10          2HE2      GLN  10   1.134  -4.336   3.793
   68   1HE2  GLN  10          1HE2      GLN  10  -0.332  -5.033   4.397
   69    H    CYS  11           H        CYS  11   3.778  -1.294   5.685
   70    HA   CYS  11           HA       CYS  11   4.394  -0.337   2.997
   71   1HB   CYS  11          1HB       CYS  11   2.770   1.299   4.872
   72   2HB   CYS  11          2HB       CYS  11   2.642   1.111   3.135
   73    H    ALA  12           H        ALA  12   6.600  -0.720   4.699
   74    HA   ALA  12           HA       ALA  12   7.132   1.920   5.841
   75   1HB   ALA  12          1HB       ALA  12   8.949   0.806   7.018
   76   2HB   ALA  12          2HB       ALA  12   8.692  -0.683   6.078
   77   3HB   ALA  12          3HB       ALA  12   7.454  -0.137   7.234
   78    H    VAL  13           H        VAL  13   6.933   1.707   2.986
   79    HA   VAL  13           HA       VAL  13   9.693   1.582   2.079
   80    HB   VAL  13           HB       VAL  13   7.598   2.357   0.181
   81   1HG1  VAL  13          1HG1      VAL  13  10.054   0.796   0.294
   82   2HG1  VAL  13          2HG1      VAL  13   8.767  -0.061  -0.588
   83   3HG1  VAL  13          3HG1      VAL  13   9.258   1.573  -1.096
   84   1HG2  VAL  13          1HG2      VAL  13   7.312  -0.147   1.836
   85   2HG2  VAL  13          2HG2      VAL  13   6.070   1.028   1.342
   86   3HG2  VAL  13          3HG2      VAL  13   6.754  -0.098   0.146
   87    HA   PRO  14           HA       PRO  14  10.147   5.879   2.129
   88   1HB   PRO  14          1HB       PRO  14  12.096   6.240   0.248
   89   2HB   PRO  14          2HB       PRO  14  12.431   5.716   1.886
   90   1HG   PRO  14          1HG       PRO  14  12.432   4.124  -0.605
   91   2HG   PRO  14          2HG       PRO  14  13.160   3.742   0.942
   92   1HD   PRO  14          1HD       PRO  14  10.730   2.656  -0.127
   93   2HD   PRO  14          2HD       PRO  14  11.397   2.363   1.467
   94    H    ALA  15           H        ALA  15  10.207   4.768  -1.231
   95    HA   ALA  15           HA       ALA  15   7.887   5.674  -2.112
   96   1HB   ALA  15          1HB       ALA  15   9.695   8.007  -1.543
   97   2HB   ALA  15          2HB       ALA  15   7.930   7.866  -1.364
   98   3HB   ALA  15          3HB       ALA  15   8.646   8.069  -2.980
   99    H    LYS  16           H        LYS  16  11.355   5.372  -2.466
  100    HA   LYS  16           HA       LYS  16  11.137   5.354  -5.371
  101   1HB   LYS  16          1HB       LYS  16  13.555   5.336  -5.366
  102   2HB   LYS  16          2HB       LYS  16  12.971   6.620  -4.326
  103   1HG   LYS  16          1HG       LYS  16  14.527   5.697  -2.883
  104   2HG   LYS  16          2HG       LYS  16  13.151   4.704  -2.444
  105   1HD   LYS  16          1HD       LYS  16  14.236   2.837  -3.129
  106   2HD   LYS  16          2HD       LYS  16  14.401   3.494  -4.745
  107   1HE   LYS  16          1HE       LYS  16  16.506   4.556  -4.211
  108   2HE   LYS  16          2HE       LYS  16  16.277   4.319  -2.490
  109   1HZ   LYS  16          1HZ       LYS  16  16.122   1.849  -3.759
  110   2HZ   LYS  16          2HZ       LYS  16  17.473   2.599  -4.285
  111   3HZ   LYS  16          3HZ       LYS  16  17.238   2.367  -2.685
  112    H    ASP  17           H        ASP  17  10.360   3.279  -2.954
  113    HA   ASP  17           HA       ASP  17  11.384   1.006  -4.468
  114   1HB   ASP  17          1HB       ASP  17  11.342   1.605  -1.597
  115   2HB   ASP  17          2HB       ASP  17  10.502   0.102  -1.925
  116    H    ARG  18           H        ARG  18   8.785   2.879  -4.344
  117    HA   ARG  18           HA       ARG  18   6.764   1.084  -3.535
  118   1HB   ARG  18          1HB       ARG  18   6.386   3.517  -5.334
  119   2HB   ARG  18          2HB       ARG  18   5.222   2.819  -4.226
  120   1HG   ARG  18          1HG       ARG  18   7.844   4.158  -3.406
  121   2HG   ARG  18          2HG       ARG  18   6.261   4.904  -3.314
  122   1HD   ARG  18          1HD       ARG  18   5.555   2.927  -1.806
  123   2HD   ARG  18          2HD       ARG  18   7.249   2.481  -1.744
  124    HE   ARG  18           HE       ARG  18   7.566   4.193  -0.200
  125   1HH1  ARG  18          1HH1      ARG  18   4.784   5.004  -2.196
  126   2HH1  ARG  18          2HH1      ARG  18   4.426   6.461  -1.330
  127   1HH2  ARG  18          1HH2      ARG  18   7.094   6.115   0.943
  128   2HH2  ARG  18          2HH2      ARG  18   5.748   7.097   0.468
  129    H    VAL  19           H        VAL  19   6.028  -0.642  -4.733
  130    HA   VAL  19           HA       VAL  19   6.788  -0.832  -7.502
  131    HB   VAL  19           HB       VAL  19   5.010  -2.759  -6.047
  132   1HG1  VAL  19          1HG1      VAL  19   6.163  -2.750  -8.557
  133   2HG1  VAL  19          2HG1      VAL  19   7.288  -3.753  -7.610
  134   3HG1  VAL  19          3HG1      VAL  19   5.563  -4.185  -7.691
  135   1HG2  VAL  19          1HG2      VAL  19   7.782  -2.015  -5.315
  136   2HG2  VAL  19          2HG2      VAL  19   6.508  -2.801  -4.352
  137   3HG2  VAL  19          3HG2      VAL  19   7.478  -3.760  -5.495
  138    H    ASP  20           H        ASP  20   4.268   0.633  -5.759
  139    HA   ASP  20           HA       ASP  20   2.350   1.477  -6.310
  140   1HB   ASP  20          1HB       ASP  20   3.638   2.335  -8.294
  141   2HB   ASP  20          2HB       ASP  20   3.180   0.903  -9.195
  142    H    CYS  21           H        CYS  21   0.487   0.296  -5.852
  143    HA   CYS  21           HA       CYS  21   0.210  -2.335  -6.977
  144   1HB   CYS  21          1HB       CYS  21  -0.429  -1.271  -4.557
  145   2HB   CYS  21          2HB       CYS  21  -1.986  -1.203  -5.357
  146    H    GLY  22           H        GLY  22  -0.877   0.971  -7.502
  147   1HA   GLY  22          1HA       GLY  22  -2.148   0.305  -9.953
  148   2HA   GLY  22          2HA       GLY  22  -2.099   1.871  -9.169
  149    H    TYR  23           H        TYR  23  -3.775   2.507  -7.695
  150    HA   TYR  23           HA       TYR  23  -6.188   0.873  -7.991
  151   1HB   TYR  23          1HB       TYR  23  -4.665   1.840  -5.547
  152   2HB   TYR  23          2HB       TYR  23  -6.413   1.913  -5.449
  153    HD1  TYR  23           HD1      TYR  23  -7.683  -0.318  -6.093
  154    HD2  TYR  23           HD2      TYR  23  -3.571  -0.125  -4.928
  155    HE1  TYR  23           HE1      TYR  23  -7.743  -2.777  -5.449
  156    HE2  TYR  23           HE2      TYR  23  -3.644  -2.584  -4.287
  157    HH   TYR  23           HH       TYR  23  -5.130  -4.611  -5.102
  158    HA   PRO  24           HA       PRO  24  -7.960   4.742  -8.786
  159   1HB   PRO  24          1HB       PRO  24 -10.610   4.169  -8.439
  160   2HB   PRO  24          2HB       PRO  24  -9.728   3.779  -9.903
  161   1HG   PRO  24          1HG       PRO  24 -10.608   1.975  -7.732
  162   2HG   PRO  24          2HG       PRO  24 -10.119   1.570  -9.366
  163   1HD   PRO  24          1HD       PRO  24  -8.561   1.251  -6.979
  164   2HD   PRO  24          2HD       PRO  24  -8.032   0.955  -8.623
  165    H    HIS  25           H        HIS  25 -10.070   3.505  -6.246
  166    HA   HIS  25           HA       HIS  25  -9.733   6.059  -4.923
  167   1HB   HIS  25          1HB       HIS  25 -11.670   5.508  -3.678
  168   2HB   HIS  25          2HB       HIS  25 -11.987   5.048  -5.339
  169    HD1  HIS  25           HD1      HIS  25 -13.528   3.796  -2.911
  170    HD2  HIS  25           HD2      HIS  25 -10.202   2.069  -4.795
  171    HE1  HIS  25           HE1      HIS  25 -13.652   1.293  -2.428
  172    HE2  HIS  25           HE2      HIS  25 -11.613   0.279  -3.657
  173    H    VAL  26           H        VAL  26  -7.544   5.851  -4.183
  174    HA   VAL  26           HA       VAL  26  -7.063   3.662  -2.315
  175    HB   VAL  26           HB       VAL  26  -4.723   4.466  -2.428
  176   1HG1  VAL  26          1HG1      VAL  26  -6.069   3.819  -5.071
  177   2HG1  VAL  26          2HG1      VAL  26  -4.315   3.741  -4.780
  178   3HG1  VAL  26          3HG1      VAL  26  -5.415   2.664  -3.886
  179   1HG2  VAL  26          1HG2      VAL  26  -5.912   6.788  -3.532
  180   2HG2  VAL  26          2HG2      VAL  26  -4.184   6.464  -3.255
  181   3HG2  VAL  26          3HG2      VAL  26  -4.927   6.056  -4.820
  182    H    THR  27           H        THR  27  -6.717   3.982  -0.116
  183    HA   THR  27           HA       THR  27  -6.514   6.674   0.907
  184    HB   THR  27           HB       THR  27  -8.626   6.762   1.966
  185    HG1  THR  27           HG1      THR  27  -9.796   4.663   2.234
  186   1HG2  THR  27          1HG2      THR  27  -9.110   5.023  -0.511
  187   2HG2  THR  27          2HG2      THR  27 -10.384   5.881   0.390
  188   3HG2  THR  27          3HG2      THR  27  -9.124   6.802  -0.466
  189    HA   PRO  28           HA       PRO  28  -4.512   4.660   4.126
  190   1HB   PRO  28          1HB       PRO  28  -5.169   6.065   6.376
  191   2HB   PRO  28          2HB       PRO  28  -3.987   6.623   5.208
  192   1HG   PRO  28          1HG       PRO  28  -6.755   7.567   5.639
  193   2HG   PRO  28          2HG       PRO  28  -5.441   8.366   4.799
  194   1HD   PRO  28          1HD       PRO  28  -7.672   7.017   3.604
  195   2HD   PRO  28          2HD       PRO  28  -6.298   7.714   2.768
  196    H    LYS  29           H        LYS  29  -6.846   3.320   3.337
  197    HA   LYS  29           HA       LYS  29  -7.054   1.519   5.431
  198   1HB   LYS  29          1HB       LYS  29  -8.320   3.653   6.329
  199   2HB   LYS  29          2HB       LYS  29  -9.619   3.072   5.306
  200   1HG   LYS  29          1HG       LYS  29  -8.283   1.018   7.037
  201   2HG   LYS  29          2HG       LYS  29  -9.243   2.224   7.871
  202   1HD   LYS  29          1HD       LYS  29 -11.142   1.694   6.214
  203   2HD   LYS  29          2HD       LYS  29 -10.180   0.336   5.666
  204   1HE   LYS  29          1HE       LYS  29 -10.148   0.099   8.480
  205   2HE   LYS  29          2HE       LYS  29 -11.785   0.610   8.117
  206   1HZ   LYS  29          1HZ       LYS  29 -11.318  -1.239   6.242
  207   2HZ   LYS  29          2HZ       LYS  29 -10.494  -1.855   7.510
  208   3HZ   LYS  29          3HZ       LYS  29 -12.086  -1.522   7.655
  209    H    GLU  30           H        GLU  30  -8.795   3.157   2.726
  210    HA   GLU  30           HA       GLU  30 -10.103   0.781   1.963
  211   1HB   GLU  30          1HB       GLU  30 -10.998   3.035   1.452
  212   2HB   GLU  30          2HB       GLU  30  -9.615   3.374   0.430
  213   1HG   GLU  30          1HG       GLU  30 -10.597   2.334  -1.328
  214   2HG   GLU  30          2HG       GLU  30 -10.762   0.852  -0.408
  215    H    CYS  31           H        CYS  31  -7.118   2.515   0.936
  216    HA   CYS  31           HA       CYS  31  -6.611   0.853  -1.270
  217   1HB   CYS  31          1HB       CYS  31  -5.482   2.828  -1.428
  218   2HB   CYS  31          2HB       CYS  31  -5.103   2.894   0.282
  219    H    ASN  32           H        ASN  32  -5.830   0.782   2.233
  220    HA   ASN  32           HA       ASN  32  -4.091  -1.450   1.912
  221   1HB   ASN  32          1HB       ASN  32  -3.397  -0.756   3.974
  222   2HB   ASN  32          2HB       ASN  32  -4.615   0.503   3.926
  223   2HD2  ASN  32          2HD2      ASN  32  -6.893  -0.271   4.420
  224   1HD2  ASN  32          1HD2      ASN  32  -7.093  -1.329   5.777
  225    H    ASN  33           H        ASN  33  -7.433  -0.982   1.819
  226    HA   ASN  33           HA       ASN  33  -8.048  -3.409   3.264
  227   1HB   ASN  33          1HB       ASN  33  -9.570  -1.569   3.719
  228   2HB   ASN  33          2HB       ASN  33  -9.746  -1.198   2.016
  229   2HD2  ASN  33          2HD2      ASN  33 -12.038  -1.339   2.786
  230   1HD2  ASN  33          1HD2      ASN  33 -12.850  -2.863   2.655
  231    H    ARG  34           H        ARG  34  -8.123  -1.860   0.008
  232    HA   ARG  34           HA       ARG  34  -9.538  -3.783  -1.322
  233   1HB   ARG  34          1HB       ARG  34  -8.370  -1.417  -2.017
  234   2HB   ARG  34          2HB       ARG  34  -7.211  -2.511  -2.745
  235   1HG   ARG  34          1HG       ARG  34  -9.061  -1.857  -4.318
  236   2HG   ARG  34          2HG       ARG  34  -8.950  -3.589  -4.079
  237   1HD   ARG  34          1HD       ARG  34 -10.739  -2.190  -2.143
  238   2HD   ARG  34          2HD       ARG  34 -11.276  -2.120  -3.810
  239    HE   ARG  34           HE       ARG  34 -10.658  -4.769  -3.571
  240   1HH1  ARG  34          1HH1      ARG  34 -12.524  -2.621  -1.500
  241   2HH1  ARG  34          2HH1      ARG  34 -13.551  -3.881  -0.902
  242   1HH2  ARG  34          1HH2      ARG  34 -12.013  -6.432  -2.783
  243   2HH2  ARG  34          2HH2      ARG  34 -13.258  -6.063  -1.636
  244    H    GLY  35           H        GLY  35  -6.244  -3.791  -0.069
  245   1HA   GLY  35          1HA       GLY  35  -5.756  -6.382  -1.415
  246   2HA   GLY  35          2HA       GLY  35  -5.327  -6.038   0.249
  247    H    CYS  36           H        CYS  36  -3.811  -4.080   0.602
  248    HA   CYS  36           HA       CYS  36  -1.447  -4.504  -0.660
  249   1HB   CYS  36          1HB       CYS  36  -3.127  -3.182  -2.462
  250   2HB   CYS  36          2HB       CYS  36  -2.082  -1.924  -1.832
  251    H    CYS  37           H        CYS  37  -0.535  -1.675  -0.726
  252    HA   CYS  37           HA       CYS  37  -1.062  -0.977   2.072
  253   1HB   CYS  37          1HB       CYS  37   1.493  -1.285   0.591
  254   2HB   CYS  37          2HB       CYS  37   1.380   0.088   1.675
  255    H    PHE  38           H        PHE  38  -1.061   1.362   2.512
  256    HA   PHE  38           HA       PHE  38  -1.498   2.926   0.065
  257   1HB   PHE  38          1HB       PHE  38  -3.547   2.585   1.424
  258   2HB   PHE  38          2HB       PHE  38  -2.688   2.989   2.897
  259    HD1  PHE  38           HD1      PHE  38  -4.048   4.381  -0.238
  260    HD2  PHE  38           HD2      PHE  38  -2.423   5.251   3.584
  261    HE1  PHE  38           HE1      PHE  38  -4.752   6.777  -0.485
  262    HE2  PHE  38           HE2      PHE  38  -3.127   7.648   3.337
  263    HZ   PHE  38           HZ       PHE  38  -4.283   8.382   1.306
  264    H    ASP  39           H        ASP  39  -1.293   5.431   0.641
  265    HA   ASP  39           HA       ASP  39   0.362   6.209   2.691
  266   1HB   ASP  39          1HB       ASP  39   2.138   4.916   1.598
  267   2HB   ASP  39          2HB       ASP  39   1.783   5.653   0.048
  268    H    SER  40           H        SER  40   0.530   8.544   2.636
  269    HA   SER  40           HA       SER  40  -0.316   9.780   0.146
  270   1HB   SER  40          1HB       SER  40  -1.829  11.297   1.366
  271   2HB   SER  40          2HB       SER  40  -2.311   9.629   1.598
  272    HG   SER  40           HG       SER  40  -1.865  11.396   3.505
  273    H    ARG  41           H        ARG  41   2.229   9.354   1.933
  274    HA   ARG  41           HA       ARG  41   2.887  11.761   3.080
  275   1HB   ARG  41          1HB       ARG  41   4.080   9.322   2.934
  276   2HB   ARG  41          2HB       ARG  41   5.053  10.153   1.736
  277   1HG   ARG  41          1HG       ARG  41   5.619  11.923   3.381
  278   2HG   ARG  41          2HG       ARG  41   4.583  11.172   4.578
  279   1HD   ARG  41          1HD       ARG  41   6.019   9.066   4.390
  280   2HD   ARG  41          2HD       ARG  41   7.110   9.967   3.355
  281    HE   ARG  41           HE       ARG  41   6.754  11.544   5.671
  282   1HH1  ARG  41          1HH1      ARG  41   8.039   8.367   4.874
  283   2HH1  ARG  41          2HH1      ARG  41   9.165   8.351   6.191
  284   1HH2  ARG  41          1HH2      ARG  41   8.239  11.525   7.407
  285   2HH2  ARG  41          2HH2      ARG  41   9.279  10.160   7.641
  286    H    ILE  42           H        ILE  42   3.286  10.515  -0.280
  287    HA   ILE  42           HA       ILE  42   3.544  13.229  -1.217
  288    HB   ILE  42           HB       ILE  42   5.593  12.135  -2.626
  289   1HG1  ILE  42          1HG1      ILE  42   7.148  11.126  -0.983
  290   2HG1  ILE  42          2HG1      ILE  42   5.869  11.104   0.214
  291   1HG2  ILE  42          1HG2      ILE  42   5.408  14.390  -1.575
  292   2HG2  ILE  42          2HG2      ILE  42   5.909  13.662  -0.030
  293   3HG2  ILE  42          3HG2      ILE  42   7.016  13.643  -1.423
  294   1HD1  ILE  42          1HD1      ILE  42   5.245   9.862  -2.449
  295   2HD1  ILE  42          2HD1      ILE  42   6.372   8.990  -1.382
  296   3HD1  ILE  42          3HD1      ILE  42   4.727   9.372  -0.818
  297    HA   PRO  43           HA       PRO  43   1.182  11.275  -4.279
  298   1HB   PRO  43          1HB       PRO  43   0.850  13.398  -5.967
  299   2HB   PRO  43          2HB       PRO  43  -0.138  13.143  -4.543
  300   1HG   PRO  43          1HG       PRO  43   2.045  15.092  -4.958
  301   2HG   PRO  43          2HG       PRO  43   0.787  15.097  -3.739
  302   1HD   PRO  43          1HD       PRO  43   3.531  14.351  -3.369
  303   2HD   PRO  43          2HD       PRO  43   2.247  14.246  -2.181
  304    H    GLY  44           H        GLY  44   4.060  13.049  -5.130
  305   1HA   GLY  44          1HA       GLY  44   5.744  12.414  -6.503
  306   2HA   GLY  44          2HA       GLY  44   4.475  12.416  -7.711
  307    H    VAL  45           H        VAL  45   4.591  10.169  -4.914
  308    HA   VAL  45           HA       VAL  45   5.395   8.025  -6.737
  309    HB   VAL  45           HB       VAL  45   6.258   6.921  -4.931
  310   1HG1  VAL  45          1HG1      VAL  45   6.642   9.820  -4.849
  311   2HG1  VAL  45          2HG1      VAL  45   6.945   9.044  -3.275
  312   3HG1  VAL  45          3HG1      VAL  45   7.832   8.502  -4.720
  313   1HG2  VAL  45          1HG2      VAL  45   4.194   8.378  -3.280
  314   2HG2  VAL  45          2HG2      VAL  45   4.429   6.628  -3.498
  315   3HG2  VAL  45          3HG2      VAL  45   5.581   7.565  -2.517
  316    HA   PRO  46           HA       PRO  46   1.511   6.139  -6.481
  317   1HB   PRO  46          1HB       PRO  46   2.009   3.476  -6.127
  318   2HB   PRO  46          2HB       PRO  46   2.171   4.284  -7.674
  319   1HG   PRO  46          1HG       PRO  46   4.292   3.381  -5.823
  320   2HG   PRO  46          2HG       PRO  46   4.419   3.791  -7.522
  321   1HD   PRO  46          1HD       PRO  46   5.237   5.410  -5.300
  322   2HD   PRO  46          2HD       PRO  46   5.257   5.865  -6.992
  323    H    TRP  47           H        TRP  47   0.614   7.239  -4.717
  324    HA   TRP  47           HA       TRP  47   0.974   6.911  -2.143
  325   1HB   TRP  47          1HB       TRP  47  -1.515   7.188  -3.754
  326   2HB   TRP  47          2HB       TRP  47  -1.689   6.843  -2.044
  327    HD1  TRP  47           HD1      TRP  47   1.201   9.112  -3.195
  328    HE1  TRP  47           HE1      TRP  47   0.865  11.592  -2.359
  329    HE3  TRP  47           HE3      TRP  47  -3.515   8.431  -1.419
  330    HZ2  TRP  47           HZ2      TRP  47  -1.287  12.961  -1.078
  331    HZ3  TRP  47           HZ3      TRP  47  -4.663  10.391  -0.391
  332    HH2  TRP  47           HH2      TRP  47  -3.625  12.596  -0.205
  333    H    CYS  48           H        CYS  48  -1.087   4.635  -4.103
  334    HA   CYS  48           HA       CYS  48  -0.942   2.734  -1.923
  335   1HB   CYS  48          1HB       CYS  48  -3.058   3.334  -3.269
  336   2HB   CYS  48          2HB       CYS  48  -2.382   2.332  -4.537
  337    H    PHE  49           H        PHE  49   0.903   1.487  -1.884
  338    HA   PHE  49           HA       PHE  49   1.810   0.427  -4.463
  339   1HB   PHE  49          1HB       PHE  49   4.147   0.616  -3.297
  340   2HB   PHE  49          2HB       PHE  49   3.428   2.121  -3.833
  341    HD1  PHE  49           HD1      PHE  49   3.589  -0.062  -0.811
  342    HD2  PHE  49           HD2      PHE  49   3.297   3.885  -2.342
  343    HE1  PHE  49           HE1      PHE  49   3.775   0.856   1.518
  344    HE2  PHE  49           HE2      PHE  49   3.483   4.802  -0.013
  345    HZ   PHE  49           HZ       PHE  49   3.720   3.277   1.889
  346    H    LYS  50           H        LYS  50   3.265  -1.563  -4.141
  347    HA   LYS  50           HA       LYS  50   1.859  -3.409  -2.544
  348   1HB   LYS  50          1HB       LYS  50   4.563  -3.767  -3.862
  349   2HB   LYS  50          2HB       LYS  50   3.442  -5.025  -3.383
  350   1HG   LYS  50          1HG       LYS  50   1.727  -3.902  -4.969
  351   2HG   LYS  50          2HG       LYS  50   3.064  -2.949  -5.582
  352   1HD   LYS  50          1HD       LYS  50   3.084  -4.764  -7.065
  353   2HD   LYS  50          2HD       LYS  50   4.272  -5.279  -5.884
  354   1HE   LYS  50          1HE       LYS  50   2.837  -6.871  -4.919
  355   2HE   LYS  50          2HE       LYS  50   1.385  -6.013  -5.394
  356   1HZ   LYS  50          1HZ       LYS  50   2.456  -6.599  -7.751
  357   2HZ   LYS  50          2HZ       LYS  50   2.942  -7.895  -6.883
  358   3HZ   LYS  50          3HZ       LYS  50   1.353  -7.536  -6.996
  359    HA   PRO  51           HA       PRO  51   4.070  -3.284   1.160
  360   1HB   PRO  51          1HB       PRO  51   4.160  -5.893   1.967
  361   2HB   PRO  51          2HB       PRO  51   2.737  -4.885   2.141
  362   1HG   PRO  51          1HG       PRO  51   3.249  -7.048   0.192
  363   2HG   PRO  51          2HG       PRO  51   1.720  -6.331   0.660
  364   1HD   PRO  51          1HD       PRO  51   3.179  -5.834  -1.759
  365   2HD   PRO  51          2HD       PRO  51   1.711  -5.032  -1.237
  366    H    LEU  52           H        LEU  52   6.095  -2.759   1.678
  367    HA   LEU  52           HA       LEU  52   8.200  -3.193   0.123
  368   1HB   LEU  52          1HB       LEU  52   8.479  -1.766   1.924
  369   2HB   LEU  52          2HB       LEU  52   7.945  -2.954   3.096
  370    HG   LEU  52           HG       LEU  52  10.543  -3.212   1.567
  371   1HD1  LEU  52          1HD1      LEU  52   9.886  -1.614   3.998
  372   2HD1  LEU  52          2HD1      LEU  52  11.427  -2.504   3.970
  373   3HD1  LEU  52          3HD1      LEU  52  11.068  -1.308   2.702
  374   1HD2  LEU  52          1HD2      LEU  52   9.102  -4.933   3.353
  375   2HD2  LEU  52          2HD2      LEU  52  10.640  -5.218   2.504
  376   3HD2  LEU  52          3HD2      LEU  52  10.639  -4.449   4.109
  377    H    GLN  53           H        GLN  53   9.557  -4.818  -0.518
  378    HA   GLN  53           HA       GLN  53   8.732  -7.434  -0.056
  379   1HB   GLN  53          1HB       GLN  53  10.864  -6.045  -1.561
  380   2HB   GLN  53          2HB       GLN  53  11.346  -7.635  -1.003
  381   1HG   GLN  53          1HG       GLN  53  10.256  -7.678  -3.270
  382   2HG   GLN  53          2HG       GLN  53   9.434  -8.686  -2.095
  383   2HE2  GLN  53          2HE2      GLN  53   9.433  -5.160  -2.523
  384   1HE2  GLN  53          1HE2      GLN  53   7.734  -4.968  -2.800
  385    H    GLU  54           H        GLU  54   8.673  -7.416   2.362
  386    HA   GLU  54           HA       GLU  54  10.725  -6.960   4.011
  387   1HB   GLU  54          1HB       GLU  54   9.573  -8.244   5.612
  388   2HB   GLU  54          2HB       GLU  54   8.307  -7.808   4.481
  389   1HG   GLU  54          1HG       GLU  54   8.821 -10.051   3.278
  390   2HG   GLU  54          2HG       GLU  54   9.773 -10.470   4.689
  391    H    ALA  55           H        ALA  55  12.810  -7.662   4.128
  392    HA   ALA  55           HA       ALA  55  13.405 -10.442   3.876
  393   1HB   ALA  55          1HB       ALA  55  13.353 -10.052   1.524
  394   2HB   ALA  55          2HB       ALA  55  15.074 -10.003   1.979
  395   3HB   ALA  55          3HB       ALA  55  14.186  -8.487   1.688
  396    H    GLU  56           H        GLU  56  15.159  -7.310   3.285
  397    HA   GLU  56           HA       GLU  56  17.400  -7.927   4.626
  398   1HB   GLU  56          1HB       GLU  56  17.636  -5.426   5.004
  399   2HB   GLU  56          2HB       GLU  56  17.274  -5.892   3.354
  400   1HG   GLU  56          1HG       GLU  56  14.732  -5.593   4.218
  401   2HG   GLU  56          2HG       GLU  56  15.505  -4.531   5.379
  402    H    CYS  57           H        CYS  57  14.478  -6.278   6.030
  403    HA   CYS  57           HA       CYS  57  14.496  -7.689   8.380
  404   1HB   CYS  57          1HB       CYS  57  16.680  -5.963   8.382
  405   2HB   CYS  57          2HB       CYS  57  15.469  -5.106   9.315
  406    H    THR  58           H        THR  58  13.136  -6.337  10.126
  407    HA   THR  58           HA       THR  58  11.091  -4.922   8.582
  408    HB   THR  58           HB       THR  58   9.733  -5.415  10.675
  409    HG1  THR  58           HG1      THR  58  11.572  -5.507  12.132
  410   1HG2  THR  58          1HG2      THR  58  11.143  -7.615   9.136
  411   2HG2  THR  58          2HG2      THR  58  10.144  -8.050  10.544
  412   3HG2  THR  58          3HG2      THR  58   9.412  -7.202   9.161
  413    H    PHE  59           H        PHE  59   9.882  -3.193  10.055
  414    HA   PHE  59           HA       PHE  59  11.513  -1.006  10.155
  415   1HB   PHE  59          1HB       PHE  59   8.912  -1.327  10.279
  416   2HB   PHE  59          2HB       PHE  59   9.126  -1.593  11.997
  417    HD1  PHE  59           HD1      PHE  59  10.060   0.267  13.412
  418    HD2  PHE  59           HD2      PHE  59   8.882   0.862   9.379
  419    HE1  PHE  59           HE1      PHE  59   9.951   2.743  13.809
  420    HE2  PHE  59           HE2      PHE  59   8.773   3.338   9.776
  421    HZ   PHE  59           HZ       PHE  59   9.309   4.249  11.986

  No H/Q in entry =         421
  Start of MODEL   16
    1    H    GLU   1           H        GLU   1   5.961 -12.928  16.918
    2    HA   GLU   1           HA       GLU   1   6.634 -12.106  19.065
    3   1HB   GLU   1          1HB       GLU   1   8.274 -12.226  16.708
    4   2HB   GLU   1          2HB       GLU   1   8.857 -10.890  17.681
    5   1HG   GLU   1          1HG       GLU   1   8.548 -12.702  19.668
    6   2HG   GLU   1          2HG       GLU   1   8.763 -13.826  18.341
    7    H    GLU   2           H        GLU   2   6.335  -9.635  16.472
    8    HA   GLU   2           HA       GLU   2   5.464  -7.728  18.321
    9   1HB   GLU   2          1HB       GLU   2   7.370  -6.069  17.909
   10   2HB   GLU   2          2HB       GLU   2   7.730  -7.397  18.994
   11   1HG   GLU   2          1HG       GLU   2   8.475  -8.552  16.639
   12   2HG   GLU   2          2HG       GLU   2   8.754  -6.873  16.222
   13    H    TYR   3           H        TYR   3   7.306  -7.981  15.189
   14    HA   TYR   3           HA       TYR   3   5.376  -6.147  13.994
   15   1HB   TYR   3          1HB       TYR   3   7.671  -5.613  13.488
   16   2HB   TYR   3          2HB       TYR   3   8.145  -7.300  13.451
   17    HD1  TYR   3           HD1      TYR   3   5.207  -6.008  11.607
   18    HD2  TYR   3           HD2      TYR   3   9.313  -7.180  11.347
   19    HE1  TYR   3           HE1      TYR   3   5.056  -5.998   9.069
   20    HE2  TYR   3           HE2      TYR   3   9.149  -7.166   8.810
   21    HH   TYR   3           HH       TYR   3   7.740  -7.140   7.100
   22    H    VAL   4           H        VAL   4   3.509  -7.398  13.650
   23    HA   VAL   4           HA       VAL   4   3.831  -9.396  11.554
   24    HB   VAL   4           HB       VAL   4   2.004 -10.693  12.926
   25   1HG1  VAL   4          1HG1      VAL   4   4.994 -10.774  13.409
   26   2HG1  VAL   4          2HG1      VAL   4   3.872 -12.010  14.025
   27   3HG1  VAL   4          3HG1      VAL   4   4.035 -11.751  12.272
   28   1HG2  VAL   4          1HG2      VAL   4   3.510  -9.189  15.090
   29   2HG2  VAL   4          2HG2      VAL   4   1.762  -9.141  14.760
   30   3HG2  VAL   4          3HG2      VAL   4   2.510 -10.635  15.372
   31    H    GLY   5           H        GLY   5   3.101  -6.795  11.089
   32   1HA   GLY   5          1HA       GLY   5   0.150  -6.908  10.908
   33   2HA   GLY   5          2HA       GLY   5   1.163  -6.475   9.545
   34    H    LEU   6           H        LEU   6   0.681  -5.577  13.038
   35    HA   LEU   6           HA       LEU   6  -0.063  -3.016  12.700
   36   1HB   LEU   6          1HB       LEU   6   0.990  -2.600  14.936
   37   2HB   LEU   6          2HB       LEU   6  -0.134  -3.940  14.840
   38    HG   LEU   6           HG       LEU   6   2.101  -4.181  16.163
   39   1HD1  LEU   6          1HD1      LEU   6   0.317  -5.976  15.000
   40   2HD1  LEU   6          2HD1      LEU   6   1.925  -6.596  14.557
   41   3HD1  LEU   6          3HD1      LEU   6   1.517  -6.324  16.268
   42   1HD2  LEU   6          1HD2      LEU   6   3.488  -3.407  14.212
   43   2HD2  LEU   6          2HD2      LEU   6   4.007  -4.938  14.956
   44   3HD2  LEU   6          3HD2      LEU   6   3.111  -4.955  13.418
   45    H    SER   7           H        SER   7   1.141  -0.925  13.006
   46    HA   SER   7           HA       SER   7   2.731   0.489  12.535
   47   1HB   SER   7          1HB       SER   7   4.982  -0.067  12.719
   48   2HB   SER   7          2HB       SER   7   4.251  -1.432  13.539
   49    HG   SER   7           HG       SER   7   5.951  -1.688  11.645
   50    H    ALA   8           H        ALA   8   4.546   0.857  10.545
   51    HA   ALA   8           HA       ALA   8   3.025   0.113   8.148
   52   1HB   ALA   8          1HB       ALA   8   4.051   2.591   9.161
   53   2HB   ALA   8          2HB       ALA   8   4.934   2.197   7.667
   54   3HB   ALA   8          3HB       ALA   8   3.157   2.298   7.651
   55    H    ASN   9           H        ASN   9   5.344  -1.252   9.849
   56    HA   ASN   9           HA       ASN   9   7.675  -1.264   8.582
   57   1HB   ASN   9          1HB       ASN   9   6.078  -3.263  10.079
   58   2HB   ASN   9          2HB       ASN   9   7.213  -4.014   8.975
   59   2HD2  ASN   9          2HD2      ASN   9   9.456  -3.142   8.999
   60   1HD2  ASN   9          1HD2      ASN   9  10.167  -2.736  10.526
   61    H    GLN  10           H        GLN  10   4.577  -2.735   7.520
   62    HA   GLN  10           HA       GLN  10   5.802  -4.082   5.327
   63   1HB   GLN  10          1HB       GLN  10   3.540  -4.560   6.737
   64   2HB   GLN  10          2HB       GLN  10   2.835  -3.634   5.427
   65   1HG   GLN  10          1HG       GLN  10   4.092  -5.190   3.804
   66   2HG   GLN  10          2HG       GLN  10   4.486  -6.188   5.190
   67   2HE2  GLN  10          2HE2      GLN  10   2.311  -6.196   6.723
   68   1HE2  GLN  10          1HE2      GLN  10   0.936  -6.877   5.917
   69    H    CYS  11           H        CYS  11   4.090  -1.015   5.957
   70    HA   CYS  11           HA       CYS  11   4.379  -0.383   3.110
   71   1HB   CYS  11          1HB       CYS  11   2.607   1.248   4.859
   72   2HB   CYS  11          2HB       CYS  11   2.476   0.879   3.151
   73    H    ALA  12           H        ALA  12   6.681  -0.278   4.653
   74    HA   ALA  12           HA       ALA  12   6.935   2.587   5.268
   75   1HB   ALA  12          1HB       ALA  12   9.002   1.554   6.600
   76   2HB   ALA  12          2HB       ALA  12   7.371   1.599   7.311
   77   3HB   ALA  12          3HB       ALA  12   7.981   0.097   6.578
   78    H    VAL  13           H        VAL  13   7.058   2.174   2.652
   79    HA   VAL  13           HA       VAL  13   9.789   1.483   1.934
   80    HB   VAL  13           HB       VAL  13   7.916   2.437  -0.126
   81   1HG1  VAL  13          1HG1      VAL  13  10.104   0.522   0.208
   82   2HG1  VAL  13          2HG1      VAL  13   8.744  -0.144  -0.728
   83   3HG1  VAL  13          3HG1      VAL  13   9.530   1.364  -1.252
   84   1HG2  VAL  13          1HG2      VAL  13   7.233   0.103   1.661
   85   2HG2  VAL  13          2HG2      VAL  13   6.184   1.413   1.069
   86   3HG2  VAL  13          3HG2      VAL  13   6.728   0.137  -0.045
   87    HA   PRO  14           HA       PRO  14  11.017   5.615   1.636
   88   1HB   PRO  14          1HB       PRO  14  13.048   5.457  -0.186
   89   2HB   PRO  14          2HB       PRO  14  13.239   5.025   1.502
   90   1HG   PRO  14          1HG       PRO  14  13.016   3.250  -0.852
   91   2HG   PRO  14          2HG       PRO  14  13.622   2.878   0.750
   92   1HD   PRO  14          1HD       PRO  14  11.063   2.157  -0.328
   93   2HD   PRO  14          2HD       PRO  14  11.624   1.887   1.310
   94    H    ALA  15           H        ALA  15   9.196   4.204  -0.608
   95    HA   ALA  15           HA       ALA  15   7.793   5.195  -2.053
   96   1HB   ALA  15          1HB       ALA  15   8.826   7.424  -0.766
   97   2HB   ALA  15          2HB       ALA  15   7.540   7.441  -1.997
   98   3HB   ALA  15          3HB       ALA  15   9.231   7.730  -2.472
   99    H    LYS  16           H        LYS  16  11.312   5.258  -2.318
  100    HA   LYS  16           HA       LYS  16  11.193   5.361  -5.211
  101   1HB   LYS  16          1HB       LYS  16  13.625   5.395  -5.088
  102   2HB   LYS  16          2HB       LYS  16  12.932   6.621  -4.045
  103   1HG   LYS  16          1HG       LYS  16  14.386   5.723  -2.502
  104   2HG   LYS  16          2HG       LYS  16  13.070   4.595  -2.243
  105   1HD   LYS  16          1HD       LYS  16  14.815   3.093  -2.596
  106   2HD   LYS  16          2HD       LYS  16  14.219   3.247  -4.237
  107   1HE   LYS  16          1HE       LYS  16  15.945   5.262  -4.387
  108   2HE   LYS  16          2HE       LYS  16  16.689   4.494  -2.998
  109   1HZ   LYS  16          1HZ       LYS  16  16.786   2.447  -4.295
  110   2HZ   LYS  16          2HZ       LYS  16  16.173   3.222  -5.596
  111   3HZ   LYS  16          3HZ       LYS  16  17.631   3.653  -5.000
  112    H    ASP  17           H        ASP  17  10.354   3.085  -3.037
  113    HA   ASP  17           HA       ASP  17  11.457   0.980  -4.725
  114   1HB   ASP  17          1HB       ASP  17  11.823   1.366  -1.914
  115   2HB   ASP  17          2HB       ASP  17  10.707   0.025  -2.073
  116    H    ARG  18           H        ARG  18   8.849   2.656  -4.589
  117    HA   ARG  18           HA       ARG  18   6.896   0.872  -3.605
  118   1HB   ARG  18          1HB       ARG  18   6.421   3.167  -5.558
  119   2HB   ARG  18          2HB       ARG  18   5.291   2.513  -4.389
  120   1HG   ARG  18          1HG       ARG  18   7.915   3.649  -3.400
  121   2HG   ARG  18          2HG       ARG  18   6.643   4.757  -3.875
  122   1HD   ARG  18          1HD       ARG  18   5.272   2.884  -2.305
  123   2HD   ARG  18          2HD       ARG  18   6.818   3.014  -1.489
  124    HE   ARG  18           HE       ARG  18   5.488   5.562  -2.234
  125   1HH1  ARG  18          1HH1      ARG  18   6.269   3.223   0.276
  126   2HH1  ARG  18          2HH1      ARG  18   5.932   4.315   1.577
  127   1HH2  ARG  18          1HH2      ARG  18   5.043   7.003  -0.518
  128   2HH2  ARG  18          2HH2      ARG  18   5.230   6.480   1.123
  129    H    VAL  19           H        VAL  19   5.548  -0.569  -4.780
  130    HA   VAL  19           HA       VAL  19   6.492  -1.133  -7.487
  131    HB   VAL  19           HB       VAL  19   4.959  -2.717  -5.426
  132   1HG1  VAL  19          1HG1      VAL  19   5.487  -3.344  -8.340
  133   2HG1  VAL  19          2HG1      VAL  19   5.165  -4.609  -7.129
  134   3HG1  VAL  19          3HG1      VAL  19   3.938  -3.363  -7.463
  135   1HG2  VAL  19          1HG2      VAL  19   7.757  -2.730  -6.502
  136   2HG2  VAL  19          2HG2      VAL  19   7.173  -2.925  -4.832
  137   3HG2  VAL  19          3HG2      VAL  19   7.026  -4.270  -5.988
  138    H    ASP  20           H        ASP  20   4.242   0.807  -6.026
  139    HA   ASP  20           HA       ASP  20   2.284   1.609  -6.545
  140   1HB   ASP  20          1HB       ASP  20   3.358   2.597  -8.428
  141   2HB   ASP  20          2HB       ASP  20   3.518   1.063  -9.259
  142    H    CYS  21           H        CYS  21   0.696   0.141  -5.762
  143    HA   CYS  21           HA       CYS  21   0.209  -2.338  -7.005
  144   1HB   CYS  21          1HB       CYS  21  -0.378  -1.244  -4.581
  145   2HB   CYS  21          2HB       CYS  21  -1.944  -1.160  -5.363
  146    H    GLY  22           H        GLY  22  -0.794   0.987  -7.543
  147   1HA   GLY  22          1HA       GLY  22  -2.100   0.359  -9.974
  148   2HA   GLY  22          2HA       GLY  22  -2.038   1.917  -9.173
  149    H    TYR  23           H        TYR  23  -3.734   2.585  -7.769
  150    HA   TYR  23           HA       TYR  23  -6.149   0.961  -8.052
  151   1HB   TYR  23          1HB       TYR  23  -4.625   1.887  -5.589
  152   2HB   TYR  23          2HB       TYR  23  -6.374   1.952  -5.496
  153    HD1  TYR  23           HD1      TYR  23  -7.613  -0.289  -6.247
  154    HD2  TYR  23           HD2      TYR  23  -3.548  -0.067  -4.931
  155    HE1  TYR  23           HE1      TYR  23  -7.667  -2.758  -5.642
  156    HE2  TYR  23           HE2      TYR  23  -3.616  -2.537  -4.331
  157    HH   TYR  23           HH       TYR  23  -4.748  -4.431  -4.637
  158    HA   PRO  24           HA       PRO  24  -7.881   4.859  -8.788
  159   1HB   PRO  24          1HB       PRO  24 -10.537   4.308  -8.454
  160   2HB   PRO  24          2HB       PRO  24  -9.657   3.932  -9.922
  161   1HG   PRO  24          1HG       PRO  24 -10.558   2.103  -7.781
  162   2HG   PRO  24          2HG       PRO  24 -10.071   1.719  -9.420
  163   1HD   PRO  24          1HD       PRO  24  -8.519   1.346  -7.037
  164   2HD   PRO  24          2HD       PRO  24  -7.991   1.072  -8.685
  165    H    HIS  25           H        HIS  25 -10.096   3.673  -6.327
  166    HA   HIS  25           HA       HIS  25  -9.699   6.177  -4.946
  167   1HB   HIS  25          1HB       HIS  25 -11.635   5.574  -3.666
  168   2HB   HIS  25          2HB       HIS  25 -11.967   5.289  -5.363
  169    HD1  HIS  25           HD1      HIS  25 -13.705   3.839  -3.347
  170    HD2  HIS  25           HD2      HIS  25 -10.127   2.233  -4.834
  171    HE1  HIS  25           HE1      HIS  25 -13.871   1.312  -3.033
  172    HE2  HIS  25           HE2      HIS  25 -11.667   0.376  -4.015
  173    H    VAL  26           H        VAL  26  -7.524   5.933  -4.184
  174    HA   VAL  26           HA       VAL  26  -7.090   3.711  -2.342
  175    HB   VAL  26           HB       VAL  26  -4.736   4.503  -2.418
  176   1HG1  VAL  26          1HG1      VAL  26  -6.041   3.869  -5.086
  177   2HG1  VAL  26          2HG1      VAL  26  -4.300   3.743  -4.741
  178   3HG1  VAL  26          3HG1      VAL  26  -5.456   2.699  -3.879
  179   1HG2  VAL  26          1HG2      VAL  26  -5.481   6.898  -3.076
  180   2HG2  VAL  26          2HG2      VAL  26  -3.996   6.236  -3.800
  181   3HG2  VAL  26          3HG2      VAL  26  -5.507   6.267  -4.741
  182    H    THR  27           H        THR  27  -6.857   3.986  -0.138
  183    HA   THR  27           HA       THR  27  -6.586   6.664   0.928
  184    HB   THR  27           HB       THR  27  -8.717   6.788   1.935
  185    HG1  THR  27           HG1      THR  27  -9.839   4.801   2.416
  186   1HG2  THR  27          1HG2      THR  27  -9.159   5.067  -0.561
  187   2HG2  THR  27          2HG2      THR  27 -10.463   5.884   0.333
  188   3HG2  THR  27          3HG2      THR  27  -9.207   6.844  -0.484
  189    HA   PRO  28           HA       PRO  28  -4.697   4.570   4.166
  190   1HB   PRO  28          1HB       PRO  28  -5.414   5.921   6.431
  191   2HB   PRO  28          2HB       PRO  28  -4.197   6.503   5.312
  192   1HG   PRO  28          1HG       PRO  28  -6.973   7.447   5.688
  193   2HG   PRO  28          2HG       PRO  28  -5.633   8.262   4.906
  194   1HD   PRO  28          1HD       PRO  28  -7.833   6.951   3.614
  195   2HD   PRO  28          2HD       PRO  28  -6.435   7.664   2.836
  196    H    LYS  29           H        LYS  29  -7.034   3.277   3.279
  197    HA   LYS  29           HA       LYS  29  -7.299   1.417   5.319
  198   1HB   LYS  29          1HB       LYS  29  -8.566   3.510   6.265
  199   2HB   LYS  29          2HB       LYS  29  -9.836   3.024   5.160
  200   1HG   LYS  29          1HG       LYS  29  -8.740   0.737   6.673
  201   2HG   LYS  29          2HG       LYS  29  -9.388   1.979   7.727
  202   1HD   LYS  29          1HD       LYS  29 -11.547   1.935   6.527
  203   2HD   LYS  29          2HD       LYS  29 -10.909   0.799   5.354
  204   1HE   LYS  29          1HE       LYS  29 -11.511  -0.923   6.699
  205   2HE   LYS  29          2HE       LYS  29 -10.406  -0.345   7.931
  206   1HZ   LYS  29          1HZ       LYS  29 -12.487   1.322   8.173
  207   2HZ   LYS  29          2HZ       LYS  29 -13.236  -0.077   7.787
  208   3HZ   LYS  29          3HZ       LYS  29 -12.250  -0.011   9.087
  209    H    GLU  30           H        GLU  30  -8.958   3.133   2.610
  210    HA   GLU  30           HA       GLU  30 -10.255   0.785   1.750
  211   1HB   GLU  30          1HB       GLU  30 -11.188   2.985   1.240
  212   2HB   GLU  30          2HB       GLU  30  -9.734   3.460   0.386
  213   1HG   GLU  30          1HG       GLU  30 -10.359   2.374  -1.525
  214   2HG   GLU  30          2HG       GLU  30 -10.854   0.936  -0.655
  215    H    CYS  31           H        CYS  31  -7.198   2.480   0.928
  216    HA   CYS  31           HA       CYS  31  -6.653   0.854  -1.321
  217   1HB   CYS  31          1HB       CYS  31  -5.548   2.847  -1.452
  218   2HB   CYS  31          2HB       CYS  31  -5.194   2.908   0.264
  219    H    ASN  32           H        ASN  32  -6.077   0.731   2.200
  220    HA   ASN  32           HA       ASN  32  -4.238  -1.437   1.942
  221   1HB   ASN  32          1HB       ASN  32  -5.631  -0.550   4.507
  222   2HB   ASN  32          2HB       ASN  32  -4.063  -1.315   4.351
  223   2HD2  ASN  32          2HD2      ASN  32  -2.422  -0.036   4.657
  224   1HD2  ASN  32          1HD2      ASN  32  -2.317   1.654   4.295
  225    H    ASN  33           H        ASN  33  -7.593  -1.038   1.711
  226    HA   ASN  33           HA       ASN  33  -8.196  -3.532   3.048
  227   1HB   ASN  33          1HB       ASN  33  -9.731  -1.652   3.493
  228   2HB   ASN  33          2HB       ASN  33  -9.963  -1.379   1.777
  229   2HD2  ASN  33          2HD2      ASN  33 -11.311  -2.651   4.454
  230   1HD2  ASN  33          1HD2      ASN  33 -12.376  -3.840   3.782
  231    H    ARG  34           H        ARG  34  -8.244  -1.841  -0.140
  232    HA   ARG  34           HA       ARG  34  -9.577  -3.706  -1.601
  233   1HB   ARG  34          1HB       ARG  34  -8.361  -1.324  -2.151
  234   2HB   ARG  34          2HB       ARG  34  -7.188  -2.401  -2.882
  235   1HG   ARG  34          1HG       ARG  34  -8.898  -1.723  -4.539
  236   2HG   ARG  34          2HG       ARG  34  -8.962  -3.452  -4.260
  237   1HD   ARG  34          1HD       ARG  34 -10.951  -3.292  -2.937
  238   2HD   ARG  34          2HD       ARG  34 -10.738  -1.575  -2.658
  239    HE   ARG  34           HE       ARG  34 -10.980  -2.041  -5.483
  240   1HH1  ARG  34          1HH1      ARG  34 -12.914  -2.055  -2.543
  241   2HH1  ARG  34          2HH1      ARG  34 -14.394  -1.687  -3.363
  242   1HH2  ARG  34          1HH2      ARG  34 -12.933  -1.554  -6.565
  243   2HH2  ARG  34          2HH2      ARG  34 -14.405  -1.400  -5.666
  244    H    GLY  35           H        GLY  35  -6.334  -3.790  -0.222
  245   1HA   GLY  35          1HA       GLY  35  -5.816  -6.335  -1.642
  246   2HA   GLY  35          2HA       GLY  35  -5.439  -6.049   0.045
  247    H    CYS  36           H        CYS  36  -3.928  -4.105   0.508
  248    HA   CYS  36           HA       CYS  36  -1.520  -4.506  -0.661
  249   1HB   CYS  36          1HB       CYS  36  -3.122  -3.159  -2.520
  250   2HB   CYS  36          2HB       CYS  36  -2.092  -1.916  -1.837
  251    H    CYS  37           H        CYS  37  -0.575  -1.701  -0.651
  252    HA   CYS  37           HA       CYS  37  -1.228  -1.021   2.125
  253   1HB   CYS  37          1HB       CYS  37   1.390  -1.280   0.734
  254   2HB   CYS  37          2HB       CYS  37   1.218   0.043   1.870
  255    H    PHE  38           H        PHE  38  -1.236   1.315   2.591
  256    HA   PHE  38           HA       PHE  38  -1.591   2.903   0.146
  257   1HB   PHE  38          1HB       PHE  38  -3.681   2.562   1.437
  258   2HB   PHE  38          2HB       PHE  38  -2.865   2.939   2.941
  259    HD1  PHE  38           HD1      PHE  38  -4.099   4.390  -0.222
  260    HD2  PHE  38           HD2      PHE  38  -2.627   5.185   3.677
  261    HE1  PHE  38           HE1      PHE  38  -4.781   6.794  -0.455
  262    HE2  PHE  38           HE2      PHE  38  -3.309   7.589   3.444
  263    HZ   PHE  38           HZ       PHE  38  -4.377   8.365   1.381
  264    H    ASP  39           H        ASP  39  -1.387   5.399   0.737
  265    HA   ASP  39           HA       ASP  39   0.218   6.147   2.844
  266   1HB   ASP  39          1HB       ASP  39   2.008   4.861   1.751
  267   2HB   ASP  39          2HB       ASP  39   1.694   5.652   0.219
  268    H    SER  40           H        SER  40   0.409   8.485   2.822
  269    HA   SER  40           HA       SER  40  -0.469   9.744   0.349
  270   1HB   SER  40          1HB       SER  40  -1.904  11.283   1.608
  271   2HB   SER  40          2HB       SER  40  -2.389   9.628   1.923
  272    HG   SER  40           HG       SER  40  -1.543  11.539   3.695
  273    H    ARG  41           H        ARG  41   2.133   9.257   2.065
  274    HA   ARG  41           HA       ARG  41   2.924  11.609   3.188
  275   1HB   ARG  41          1HB       ARG  41   4.065   9.158   2.850
  276   2HB   ARG  41          2HB       ARG  41   4.971  10.038   1.636
  277   1HG   ARG  41          1HG       ARG  41   5.005  11.787   3.824
  278   2HG   ARG  41          2HG       ARG  41   5.124  10.213   4.584
  279   1HD   ARG  41          1HD       ARG  41   7.250   9.867   3.807
  280   2HD   ARG  41          2HD       ARG  41   6.853  10.434   2.197
  281    HE   ARG  41           HE       ARG  41   6.928  12.638   4.081
  282   1HH1  ARG  41          1HH1      ARG  41   8.984  10.503   2.185
  283   2HH1  ARG  41          2HH1      ARG  41  10.299  11.627   2.109
  284   1HH2  ARG  41          1HH2      ARG  41   8.663  14.122   3.981
  285   2HH2  ARG  41          2HH2      ARG  41  10.116  13.699   3.138
  286    H    ILE  42           H        ILE  42   3.495  10.398  -0.198
  287    HA   ILE  42           HA       ILE  42   3.564  13.173  -1.079
  288    HB   ILE  42           HB       ILE  42   5.553  12.068  -2.595
  289   1HG1  ILE  42          1HG1      ILE  42   7.172  11.088  -0.995
  290   2HG1  ILE  42          2HG1      ILE  42   5.933  11.074   0.244
  291   1HG2  ILE  42          1HG2      ILE  42   5.594  13.827  -0.146
  292   2HG2  ILE  42          2HG2      ILE  42   7.071  13.451  -1.065
  293   3HG2  ILE  42          3HG2      ILE  42   5.716  14.286  -1.862
  294   1HD1  ILE  42          1HD1      ILE  42   4.986   9.841  -2.255
  295   2HD1  ILE  42          2HD1      ILE  42   6.431   9.032  -1.602
  296   3HD1  ILE  42          3HD1      ILE  42   4.971   9.194  -0.597
  297    HA   PRO  43           HA       PRO  43   1.091  11.347  -4.129
  298   1HB   PRO  43          1HB       PRO  43   0.796  13.498  -5.789
  299   2HB   PRO  43          2HB       PRO  43  -0.167  13.264  -4.344
  300   1HG   PRO  43          1HG       PRO  43   2.075  15.138  -4.794
  301   2HG   PRO  43          2HG       PRO  43   0.846  15.176  -3.545
  302   1HD   PRO  43          1HD       PRO  43   3.570  14.329  -3.247
  303   2HD   PRO  43          2HD       PRO  43   2.312  14.258  -2.029
  304    H    GLY  44           H        GLY  44   3.968  13.088  -5.090
  305   1HA   GLY  44          1HA       GLY  44   5.603  12.411  -6.505
  306   2HA   GLY  44          2HA       GLY  44   4.294  12.422  -7.669
  307    H    VAL  45           H        VAL  45   4.724  10.211  -4.840
  308    HA   VAL  45           HA       VAL  45   5.382   8.045  -6.669
  309    HB   VAL  45           HB       VAL  45   6.320   6.997  -4.892
  310   1HG1  VAL  45          1HG1      VAL  45   7.249   9.361  -5.143
  311   2HG1  VAL  45          2HG1      VAL  45   6.327   9.770  -3.677
  312   3HG1  VAL  45          3HG1      VAL  45   7.598   8.526  -3.610
  313   1HG2  VAL  45          1HG2      VAL  45   4.174   8.284  -3.197
  314   2HG2  VAL  45          2HG2      VAL  45   4.457   6.557  -3.522
  315   3HG2  VAL  45          3HG2      VAL  45   5.578   7.461  -2.475
  316    HA   PRO  46           HA       PRO  46   1.500   6.161  -6.370
  317   1HB   PRO  46          1HB       PRO  46   1.999   3.500  -5.997
  318   2HB   PRO  46          2HB       PRO  46   2.152   4.295  -7.552
  319   1HG   PRO  46          1HG       PRO  46   4.284   3.407  -5.707
  320   2HG   PRO  46          2HG       PRO  46   4.400   3.803  -7.410
  321   1HD   PRO  46          1HD       PRO  46   5.234   5.440  -5.208
  322   2HD   PRO  46          2HD       PRO  46   5.242   5.881  -6.904
  323    H    TRP  47           H        TRP  47   0.536   7.223  -4.645
  324    HA   TRP  47           HA       TRP  47   0.936   6.934  -2.054
  325   1HB   TRP  47          1HB       TRP  47  -1.539   7.228  -3.673
  326   2HB   TRP  47          2HB       TRP  47  -1.740   6.845  -1.974
  327    HD1  TRP  47           HD1      TRP  47   1.161   9.143  -3.044
  328    HE1  TRP  47           HE1      TRP  47   0.815  11.602  -2.152
  329    HE3  TRP  47           HE3      TRP  47  -3.566   8.412  -1.320
  330    HZ2  TRP  47           HZ2      TRP  47  -1.349  12.936  -0.854
  331    HZ3  TRP  47           HZ3      TRP  47  -4.725  10.345  -0.254
  332    HH2  TRP  47           HH2      TRP  47  -3.692  12.547  -0.008
  333    H    CYS  48           H        CYS  48  -1.022   4.613  -4.057
  334    HA   CYS  48           HA       CYS  48  -0.932   2.738  -1.844
  335   1HB   CYS  48          1HB       CYS  48  -3.026   3.306  -3.238
  336   2HB   CYS  48          2HB       CYS  48  -2.313   2.302  -4.484
  337    H    PHE  49           H        PHE  49   0.882   1.454  -1.757
  338    HA   PHE  49           HA       PHE  49   1.871   0.410  -4.309
  339   1HB   PHE  49          1HB       PHE  49   4.178   0.613  -3.091
  340   2HB   PHE  49          2HB       PHE  49   3.464   2.114  -3.644
  341    HD1  PHE  49           HD1      PHE  49   3.613  -0.063  -0.620
  342    HD2  PHE  49           HD2      PHE  49   3.243   3.876  -2.155
  343    HE1  PHE  49           HE1      PHE  49   3.741   0.857   1.711
  344    HE2  PHE  49           HE2      PHE  49   3.371   4.796   0.177
  345    HZ   PHE  49           HZ       PHE  49   3.618   3.276   2.082
  346    H    LYS  50           H        LYS  50   3.198  -1.618  -4.029
  347    HA   LYS  50           HA       LYS  50   1.804  -3.426  -2.394
  348   1HB   LYS  50          1HB       LYS  50   4.476  -3.824  -3.767
  349   2HB   LYS  50          2HB       LYS  50   3.363  -5.071  -3.244
  350   1HG   LYS  50          1HG       LYS  50   1.613  -3.874  -4.789
  351   2HG   LYS  50          2HG       LYS  50   2.995  -3.055  -5.489
  352   1HD   LYS  50          1HD       LYS  50   2.815  -4.936  -6.882
  353   2HD   LYS  50          2HD       LYS  50   4.019  -5.472  -5.727
  354   1HE   LYS  50          1HE       LYS  50   2.478  -6.855  -4.558
  355   2HE   LYS  50          2HE       LYS  50   1.083  -5.990  -5.170
  356   1HZ   LYS  50          1HZ       LYS  50   2.084  -6.843  -7.425
  357   2HZ   LYS  50          2HZ       LYS  50   2.670  -8.024  -6.461
  358   3HZ   LYS  50          3HZ       LYS  50   1.061  -7.754  -6.536
  359    HA   PRO  51           HA       PRO  51   4.086  -3.373   1.269
  360   1HB   PRO  51          1HB       PRO  51   4.227  -5.995   2.028
  361   2HB   PRO  51          2HB       PRO  51   2.793  -5.011   2.243
  362   1HG   PRO  51          1HG       PRO  51   3.304  -7.130   0.247
  363   2HG   PRO  51          2HG       PRO  51   1.772  -6.445   0.753
  364   1HD   PRO  51          1HD       PRO  51   3.184  -5.883  -1.680
  365   2HD   PRO  51          2HD       PRO  51   1.713  -5.113  -1.120
  366    H    LEU  52           H        LEU  52   6.107  -2.733   1.625
  367    HA   LEU  52           HA       LEU  52   8.182  -3.173   0.058
  368   1HB   LEU  52          1HB       LEU  52   8.412  -1.704   1.861
  369   2HB   LEU  52          2HB       LEU  52   8.043  -2.940   3.048
  370    HG   LEU  52           HG       LEU  52  10.550  -2.983   1.352
  371   1HD1  LEU  52          1HD1      LEU  52   9.899  -1.388   3.753
  372   2HD1  LEU  52          2HD1      LEU  52  11.438  -2.280   3.816
  373   3HD1  LEU  52          3HD1      LEU  52  11.128  -1.131   2.492
  374   1HD2  LEU  52          1HD2      LEU  52   9.356  -4.853   3.155
  375   2HD2  LEU  52          2HD2      LEU  52  10.882  -4.981   2.248
  376   3HD2  LEU  52          3HD2      LEU  52  10.870  -4.252   3.872
  377    H    GLN  53           H        GLN  53   9.642  -4.755  -0.516
  378    HA   GLN  53           HA       GLN  53   8.861  -7.389  -0.045
  379   1HB   GLN  53          1HB       GLN  53  10.966  -7.966  -1.267
  380   2HB   GLN  53          2HB       GLN  53  10.008  -6.758  -2.101
  381   1HG   GLN  53          1HG       GLN  53  11.878  -5.504  -0.215
  382   2HG   GLN  53          2HG       GLN  53  12.726  -6.541  -1.346
  383   2HE2  GLN  53          2HE2      GLN  53  11.410  -3.531  -0.817
  384   1HE2  GLN  53          1HE2      GLN  53  11.356  -2.916  -2.436
  385    H    GLU  54           H        GLU  54   8.783  -7.314   2.381
  386    HA   GLU  54           HA       GLU  54  10.797  -6.800   4.043
  387   1HB   GLU  54          1HB       GLU  54   9.691  -8.153   5.639
  388   2HB   GLU  54          2HB       GLU  54   8.419  -7.701   4.522
  389   1HG   GLU  54          1HG       GLU  54   9.982 -10.326   4.423
  390   2HG   GLU  54          2HG       GLU  54   8.373 -10.142   5.094
  391    H    ALA  55           H        ALA  55  12.829  -7.578   4.500
  392    HA   ALA  55           HA       ALA  55  13.509 -10.302   4.058
  393   1HB   ALA  55          1HB       ALA  55  14.429 -10.227   2.006
  394   2HB   ALA  55          2HB       ALA  55  13.688  -8.622   1.803
  395   3HB   ALA  55          3HB       ALA  55  15.354  -8.762   2.414
  396    H    GLU  56           H        GLU  56  15.180  -7.070   3.931
  397    HA   GLU  56           HA       GLU  56  16.528  -7.900   6.382
  398   1HB   GLU  56          1HB       GLU  56  17.663  -6.454   3.956
  399   2HB   GLU  56          2HB       GLU  56  18.481  -6.467   5.505
  400   1HG   GLU  56          1HG       GLU  56  17.578  -9.083   4.266
  401   2HG   GLU  56          2HG       GLU  56  19.051  -8.320   3.700
  402    H    CYS  57           H        CYS  57  17.557  -5.833   7.512
  403    HA   CYS  57           HA       CYS  57  17.319  -3.831   8.405
  404   1HB   CYS  57          1HB       CYS  57  16.216  -3.406   5.794
  405   2HB   CYS  57          2HB       CYS  57  15.241  -2.538   6.963
  406    H    THR  58           H        THR  58  14.065  -4.820   7.085
  407    HA   THR  58           HA       THR  58  12.444  -3.942   9.047
  408    HB   THR  58           HB       THR  58  10.959  -5.813   8.349
  409    HG1  THR  58           HG1      THR  58  13.499  -6.704   7.172
  410   1HG2  THR  58          1HG2      THR  58  12.315  -4.067   6.500
  411   2HG2  THR  58          2HG2      THR  58  12.215  -5.675   5.742
  412   3HG2  THR  58          3HG2      THR  58  10.733  -4.855   6.289
  413    H    PHE  59           H        PHE  59  13.977  -7.234   9.123
  414    HA   PHE  59           HA       PHE  59  13.161  -7.674  11.779
  415   1HB   PHE  59          1HB       PHE  59  14.208  -9.108   9.638
  416   2HB   PHE  59          2HB       PHE  59  15.635  -8.975  10.646
  417    HD1  PHE  59           HD1      PHE  59  12.086 -10.076  10.727
  418    HD2  PHE  59           HD2      PHE  59  15.953 -10.443  12.435
  419    HE1  PHE  59           HE1      PHE  59  11.292 -12.017  12.107
  420    HE2  PHE  59           HE2      PHE  59  15.159 -12.383  13.816
  421    HZ   PHE  59           HZ       PHE  59  12.838 -13.147  13.635

  No H/Q in entry =         421
  Start of MODEL   17
    1    H    GLU   1           H        GLU   1   9.705 -14.111  17.524
    2    HA   GLU   1           HA       GLU   1   8.406 -11.835  16.256
    3   1HB   GLU   1          1HB       GLU   1  10.229 -10.373  17.228
    4   2HB   GLU   1          2HB       GLU   1   9.097 -11.000  18.410
    5   1HG   GLU   1          1HG       GLU   1  10.832 -11.902  19.554
    6   2HG   GLU   1          2HG       GLU   1  11.139 -12.974  18.202
    7    H    GLU   2           H        GLU   2   8.990 -11.829  14.133
    8    HA   GLU   2           HA       GLU   2  11.606 -11.695  13.326
    9   1HB   GLU   2          1HB       GLU   2  11.253 -14.262  14.053
   10   2HB   GLU   2          2HB       GLU   2  10.587 -14.383  12.437
   11   1HG   GLU   2          1HG       GLU   2  12.693 -13.349  11.517
   12   2HG   GLU   2          2HG       GLU   2  13.358 -13.302  13.138
   13    H    TYR   3           H        TYR   3   8.628 -13.450  12.168
   14    HA   TYR   3           HA       TYR   3   8.643 -11.634   9.853
   15   1HB   TYR   3          1HB       TYR   3   8.948 -13.971   9.202
   16   2HB   TYR   3          2HB       TYR   3   7.823 -14.532  10.422
   17    HD1  TYR   3           HD1      TYR   3   7.727 -12.164   7.498
   18    HD2  TYR   3           HD2      TYR   3   5.828 -15.367   9.606
   19    HE1  TYR   3           HE1      TYR   3   5.864 -12.207   5.769
   20    HE2  TYR   3           HE2      TYR   3   3.971 -15.399   7.869
   21    HH   TYR   3           HH       TYR   3   2.965 -13.830   6.284
   22    H    VAL   4           H        VAL   4   7.411  -9.964  10.896
   23    HA   VAL   4           HA       VAL   4   4.595 -10.713  11.170
   24    HB   VAL   4           HB       VAL   4   4.689  -8.858  13.047
   25   1HG1  VAL   4          1HG1      VAL   4   3.857 -11.154  13.327
   26   2HG1  VAL   4          2HG1      VAL   4   5.526 -11.740  13.523
   27   3HG1  VAL   4          3HG1      VAL   4   4.822 -10.639  14.731
   28   1HG2  VAL   4          1HG2      VAL   4   7.491 -10.023  13.080
   29   2HG2  VAL   4          2HG2      VAL   4   7.028  -8.313  12.906
   30   3HG2  VAL   4          3HG2      VAL   4   6.748  -9.159  14.447
   31    H    GLY   5           H        GLY   5   3.616  -9.677   9.508
   32   1HA   GLY   5          1HA       GLY   5   4.225  -7.954   7.744
   33   2HA   GLY   5          2HA       GLY   5   4.324  -6.841   9.094
   34    H    LEU   6           H        LEU   6   2.465  -5.867   9.871
   35    HA   LEU   6           HA       LEU   6  -0.046  -6.872   8.725
   36   1HB   LEU   6          1HB       LEU   6  -0.948  -5.684  10.915
   37   2HB   LEU   6          2HB       LEU   6  -0.497  -7.376  10.861
   38    HG   LEU   6           HG       LEU   6   1.544  -5.323  11.669
   39   1HD1  LEU   6          1HD1      LEU   6  -0.560  -4.906  12.973
   40   2HD1  LEU   6          2HD1      LEU   6  -0.417  -6.560  13.615
   41   3HD1  LEU   6          3HD1      LEU   6   0.855  -5.361  13.951
   42   1HD2  LEU   6          1HD2      LEU   6   1.276  -8.241  11.699
   43   2HD2  LEU   6          2HD2      LEU   6   2.729  -7.215  11.744
   44   3HD2  LEU   6          3HD2      LEU   6   1.836  -7.559  13.244
   45    H    SER   7           H        SER   7   1.535  -3.965  10.232
   46    HA   SER   7           HA       SER   7   0.636  -2.450   7.961
   47   1HB   SER   7          1HB       SER   7  -0.510  -0.744   9.263
   48   2HB   SER   7          2HB       SER   7  -1.241  -2.297   9.615
   49    HG   SER   7           HG       SER   7  -0.927  -1.586  11.644
   50    H    ALA   8           H        ALA   8   1.946  -0.564   7.602
   51    HA   ALA   8           HA       ALA   8   3.597   0.908   7.975
   52   1HB   ALA   8          1HB       ALA   8   4.339   1.367  10.092
   53   2HB   ALA   8          2HB       ALA   8   4.592  -0.349  10.493
   54   3HB   ALA   8          3HB       ALA   8   2.954   0.344  10.543
   55    H    ASN   9           H        ASN   9   4.813  -2.115   9.586
   56    HA   ASN   9           HA       ASN   9   7.250  -2.112   8.461
   57   1HB   ASN   9          1HB       ASN   9   5.870  -3.828  10.093
   58   2HB   ASN   9          2HB       ASN   9   5.891  -4.793   8.630
   59   2HD2  ASN   9          2HD2      ASN   9   7.234  -5.133  11.226
   60   1HD2  ASN   9          1HD2      ASN   9   8.928  -5.292  10.902
   61    H    GLN  10           H        GLN  10   4.107  -3.123   7.083
   62    HA   GLN  10           HA       GLN  10   5.318  -4.362   4.819
   63   1HB   GLN  10          1HB       GLN  10   2.827  -4.352   4.031
   64   2HB   GLN  10          2HB       GLN  10   3.270  -5.357   5.396
   65   1HG   GLN  10          1HG       GLN  10   2.295  -3.880   6.977
   66   2HG   GLN  10          2HG       GLN  10   2.355  -2.510   5.886
   67   2HE2  GLN  10          2HE2      GLN  10   1.192  -5.851   5.491
   68   1HE2  GLN  10          1HE2      GLN  10  -0.433  -5.466   5.028
   69    H    CYS  11           H        CYS  11   3.801  -1.227   5.665
   70    HA   CYS  11           HA       CYS  11   4.354  -0.327   2.937
   71   1HB   CYS  11          1HB       CYS  11   2.745   1.378   4.743
   72   2HB   CYS  11          2HB       CYS  11   2.582   1.077   3.025
   73    H    ALA  12           H        ALA  12   6.556  -0.691   4.640
   74    HA   ALA  12           HA       ALA  12   7.089   1.967   5.744
   75   1HB   ALA  12          1HB       ALA  12   9.225   0.340   6.400
   76   2HB   ALA  12          2HB       ALA  12   7.802   0.633   7.429
   77   3HB   ALA  12          3HB       ALA  12   7.864  -0.807   6.384
   78    H    VAL  13           H        VAL  13   6.920   1.746   2.909
   79    HA   VAL  13           HA       VAL  13   9.679   1.534   2.014
   80    HB   VAL  13           HB       VAL  13   7.632   2.371   0.095
   81   1HG1  VAL  13          1HG1      VAL  13  10.018   0.717   0.246
   82   2HG1  VAL  13          2HG1      VAL  13   8.704  -0.116  -0.619
   83   3HG1  VAL  13          3HG1      VAL  13   9.253   1.487  -1.165
   84   1HG2  VAL  13          1HG2      VAL  13   7.221  -0.113   1.759
   85   2HG2  VAL  13          2HG2      VAL  13   6.039   1.127   1.275
   86   3HG2  VAL  13          3HG2      VAL  13   6.661  -0.028   0.072
   87    HA   PRO  14           HA       PRO  14  10.276   5.813   2.006
   88   1HB   PRO  14          1HB       PRO  14  12.151   6.119   0.042
   89   2HB   PRO  14          2HB       PRO  14  12.540   5.577   1.662
   90   1HG   PRO  14          1HG       PRO  14  12.380   3.998  -0.831
   91   2HG   PRO  14          2HG       PRO  14  13.163   3.585   0.681
   92   1HD   PRO  14          1HD       PRO  14  10.654   2.583  -0.282
   93   2HD   PRO  14          2HD       PRO  14  11.381   2.261   1.279
   94    H    ALA  15           H        ALA  15  10.243   4.787  -1.382
   95    HA   ALA  15           HA       ALA  15   7.884   5.748  -2.154
   96   1HB   ALA  15          1HB       ALA  15   9.639   7.982  -1.381
   97   2HB   ALA  15          2HB       ALA  15   7.881   7.955  -1.658
   98   3HB   ALA  15          3HB       ALA  15   8.996   8.133  -3.034
   99    H    LYS  16           H        LYS  16  11.347   5.416  -2.664
  100    HA   LYS  16           HA       LYS  16  10.991   5.381  -5.552
  101   1HB   LYS  16          1HB       LYS  16  13.404   5.339  -5.660
  102   2HB   LYS  16          2HB       LYS  16  12.888   6.623  -4.586
  103   1HG   LYS  16          1HG       LYS  16  14.542   5.649  -3.269
  104   2HG   LYS  16          2HG       LYS  16  13.146   4.754  -2.702
  105   1HD   LYS  16          1HD       LYS  16  13.676   2.848  -4.100
  106   2HD   LYS  16          2HD       LYS  16  14.864   3.757  -5.013
  107   1HE   LYS  16          1HE       LYS  16  15.803   4.041  -2.405
  108   2HE   LYS  16          2HE       LYS  16  15.131   2.422  -2.374
  109   1HZ   LYS  16          1HZ       LYS  16  16.635   2.940  -4.727
  110   2HZ   LYS  16          2HZ       LYS  16  17.532   3.095  -3.371
  111   3HZ   LYS  16          3HZ       LYS  16  16.748   1.696  -3.676
  112    H    ASP  17           H        ASP  17  10.353   3.315  -3.063
  113    HA   ASP  17           HA       ASP  17  11.258   1.029  -4.632
  114   1HB   ASP  17          1HB       ASP  17  11.393   1.640  -1.776
  115   2HB   ASP  17          2HB       ASP  17  10.474   0.170  -2.028
  116    H    ARG  18           H        ARG  18   8.693   2.919  -4.433
  117    HA   ARG  18           HA       ARG  18   6.687   1.171  -3.496
  118   1HB   ARG  18          1HB       ARG  18   6.293   3.580  -5.330
  119   2HB   ARG  18          2HB       ARG  18   5.133   2.905  -4.204
  120   1HG   ARG  18          1HG       ARG  18   7.776   4.230  -3.431
  121   2HG   ARG  18          2HG       ARG  18   6.196   4.978  -3.309
  122   1HD   ARG  18          1HD       ARG  18   5.520   3.000  -1.785
  123   2HD   ARG  18          2HD       ARG  18   7.216   2.560  -1.753
  124    HE   ARG  18           HE       ARG  18   7.551   4.274  -0.215
  125   1HH1  ARG  18          1HH1      ARG  18   4.745   5.083  -2.178
  126   2HH1  ARG  18          2HH1      ARG  18   4.402   6.544  -1.313
  127   1HH2  ARG  18          1HH2      ARG  18   7.099   6.201   0.927
  128   2HH2  ARG  18          2HH2      ARG  18   5.750   7.184   0.465
  129    H    VAL  19           H        VAL  19   6.056  -0.648  -4.617
  130    HA   VAL  19           HA       VAL  19   6.671  -0.934  -7.382
  131    HB   VAL  19           HB       VAL  19   4.810  -2.707  -5.834
  132   1HG1  VAL  19          1HG1      VAL  19   6.969  -3.208  -7.910
  133   2HG1  VAL  19          2HG1      VAL  19   6.010  -4.474  -7.106
  134   3HG1  VAL  19          3HG1      VAL  19   5.208  -3.282  -8.158
  135   1HG2  VAL  19          1HG2      VAL  19   7.583  -2.034  -5.117
  136   2HG2  VAL  19          2HG2      VAL  19   6.315  -2.847  -4.169
  137   3HG2  VAL  19          3HG2      VAL  19   7.295  -3.778  -5.326
  138    H    ASP  20           H        ASP  20   4.170   0.627  -5.632
  139    HA   ASP  20           HA       ASP  20   2.297   1.547  -6.214
  140   1HB   ASP  20          1HB       ASP  20   3.314   2.569  -8.112
  141   2HB   ASP  20          2HB       ASP  20   3.472   1.046  -8.964
  142    H    CYS  21           H        CYS  21   0.351   0.484  -5.816
  143    HA   CYS  21           HA       CYS  21   0.011  -2.181  -6.819
  144   1HB   CYS  21          1HB       CYS  21  -0.724  -0.942  -4.511
  145   2HB   CYS  21          2HB       CYS  21  -2.227  -0.867  -5.409
  146    H    GLY  22           H        GLY  22  -0.612   1.041  -7.851
  147   1HA   GLY  22          1HA       GLY  22  -1.810   0.333 -10.251
  148   2HA   GLY  22          2HA       GLY  22  -1.817   1.929  -9.526
  149    H    TYR  23           H        TYR  23  -3.522   2.419  -7.855
  150    HA   TYR  23           HA       TYR  23  -6.011   1.144  -8.670
  151   1HB   TYR  23          1HB       TYR  23  -4.632   0.392  -6.366
  152   2HB   TYR  23          2HB       TYR  23  -5.563   1.739  -5.741
  153    HD1  TYR  23           HD1      TYR  23  -6.610  -0.734  -8.339
  154    HD2  TYR  23           HD2      TYR  23  -7.125   0.678  -4.333
  155    HE1  TYR  23           HE1      TYR  23  -8.626  -2.256  -8.054
  156    HE2  TYR  23           HE2      TYR  23  -9.140  -0.848  -4.062
  157    HH   TYR  23           HH       TYR  23 -10.327  -2.769  -6.791
  158    HA   PRO  24           HA       PRO  24  -7.351   5.250  -8.374
  159   1HB   PRO  24          1HB       PRO  24 -10.061   4.897  -8.399
  160   2HB   PRO  24          2HB       PRO  24  -9.077   4.864  -9.849
  161   1HG   PRO  24          1HG       PRO  24 -10.316   2.606  -8.397
  162   2HG   PRO  24          2HG       PRO  24  -9.705   2.653 -10.039
  163   1HD   PRO  24          1HD       PRO  24  -8.421   1.469  -7.764
  164   2HD   PRO  24          2HD       PRO  24  -7.761   1.618  -9.380
  165    H    HIS  25           H        HIS  25 -10.066   3.938  -6.638
  166    HA   HIS  25           HA       HIS  25  -9.878   5.853  -4.652
  167   1HB   HIS  25          1HB       HIS  25 -11.461   4.329  -3.413
  168   2HB   HIS  25          2HB       HIS  25 -11.961   4.823  -5.018
  169    HD1  HIS  25           HD1      HIS  25 -13.526   2.697  -5.116
  170    HD2  HIS  25           HD2      HIS  25  -9.421   1.865  -4.878
  171    HE1  HIS  25           HE1      HIS  25 -13.260   0.231  -5.717
  172    HE2  HIS  25           HE2      HIS  25 -10.712  -0.207  -5.607
  173    H    VAL  26           H        VAL  26  -7.663   5.944  -3.950
  174    HA   VAL  26           HA       VAL  26  -6.891   3.637  -2.300
  175    HB   VAL  26           HB       VAL  26  -4.579   4.420  -2.636
  176   1HG1  VAL  26          1HG1      VAL  26  -6.323   3.558  -4.914
  177   2HG1  VAL  26          2HG1      VAL  26  -4.624   3.971  -5.249
  178   3HG1  VAL  26          3HG1      VAL  26  -5.014   2.686  -4.081
  179   1HG2  VAL  26          1HG2      VAL  26  -5.853   6.411  -4.541
  180   2HG2  VAL  26          2HG2      VAL  26  -4.954   6.779  -3.050
  181   3HG2  VAL  26          3HG2      VAL  26  -4.110   6.063  -4.444
  182    H    THR  27           H        THR  27  -7.041   3.969  -0.147
  183    HA   THR  27           HA       THR  27  -6.476   6.660   0.856
  184    HB   THR  27           HB       THR  27  -8.565   6.861   1.922
  185    HG1  THR  27           HG1      THR  27  -9.285   5.019   2.925
  186   1HG2  THR  27          1HG2      THR  27  -8.877   6.492  -0.677
  187   2HG2  THR  27          2HG2      THR  27  -9.503   4.896  -0.201
  188   3HG2  THR  27          3HG2      THR  27 -10.308   6.376   0.375
  189    HA   PRO  28           HA       PRO  28  -4.503   4.600   4.067
  190   1HB   PRO  28          1HB       PRO  28  -5.114   6.005   6.330
  191   2HB   PRO  28          2HB       PRO  28  -3.931   6.546   5.156
  192   1HG   PRO  28          1HG       PRO  28  -6.676   7.541   5.615
  193   2HG   PRO  28          2HG       PRO  28  -5.354   8.320   4.769
  194   1HD   PRO  28          1HD       PRO  28  -7.621   7.020   3.585
  195   2HD   PRO  28          2HD       PRO  28  -6.241   7.696   2.742
  196    H    LYS  29           H        LYS  29  -6.927   3.360   3.295
  197    HA   LYS  29           HA       LYS  29  -7.138   1.546   5.402
  198   1HB   LYS  29          1HB       LYS  29  -8.372   3.686   6.291
  199   2HB   LYS  29          2HB       LYS  29  -9.666   3.165   5.230
  200   1HG   LYS  29          1HG       LYS  29  -8.497   0.981   6.881
  201   2HG   LYS  29          2HG       LYS  29  -9.270   2.247   7.815
  202   1HD   LYS  29          1HD       LYS  29 -11.388   1.881   6.817
  203   2HD   LYS  29          2HD       LYS  29 -10.703   1.111   5.400
  204   1HE   LYS  29          1HE       LYS  29 -10.291  -0.934   6.544
  205   2HE   LYS  29          2HE       LYS  29 -10.346  -0.177   8.123
  206   1HZ   LYS  29          1HZ       LYS  29 -12.710  -0.199   6.405
  207   2HZ   LYS  29          2HZ       LYS  29 -12.352  -1.481   7.351
  208   3HZ   LYS  29          3HZ       LYS  29 -12.632  -0.021   8.027
  209    H    GLU  30           H        GLU  30  -8.680   3.169   2.591
  210    HA   GLU  30           HA       GLU  30 -10.053   0.796   1.855
  211   1HB   GLU  30          1HB       GLU  30 -10.373   3.471   1.286
  212   2HB   GLU  30          2HB       GLU  30  -9.636   2.909  -0.201
  213   1HG   GLU  30          1HG       GLU  30 -11.575   0.935   0.485
  214   2HG   GLU  30          2HG       GLU  30 -12.352   2.479   0.777
  215    H    CYS  31           H        CYS  31  -7.006   2.465   0.966
  216    HA   CYS  31           HA       CYS  31  -6.490   0.771  -1.249
  217   1HB   CYS  31          1HB       CYS  31  -5.422   2.782  -1.467
  218   2HB   CYS  31          2HB       CYS  31  -5.017   2.895   0.234
  219    H    ASN  32           H        ASN  32  -6.042   0.685   2.257
  220    HA   ASN  32           HA       ASN  32  -4.169  -1.499   2.016
  221   1HB   ASN  32          1HB       ASN  32  -3.505  -0.937   4.154
  222   2HB   ASN  32          2HB       ASN  32  -4.349   0.565   3.833
  223   2HD2  ASN  32          2HD2      ASN  32  -3.890  -1.451   6.173
  224   1HD2  ASN  32          1HD2      ASN  32  -5.435  -1.544   6.951
  225    H    ASN  33           H        ASN  33  -7.436  -1.115   1.740
  226    HA   ASN  33           HA       ASN  33  -8.132  -3.334   3.465
  227   1HB   ASN  33          1HB       ASN  33  -9.719  -1.551   3.672
  228   2HB   ASN  33          2HB       ASN  33  -9.714  -1.222   1.950
  229   2HD2  ASN  33          2HD2      ASN  33 -11.675  -1.589   1.235
  230   1HD2  ASN  33          1HD2      ASN  33 -12.632  -3.009   1.494
  231    H    ARG  34           H        ARG  34  -8.204  -2.159   0.039
  232    HA   ARG  34           HA       ARG  34  -9.495  -4.278  -1.083
  233   1HB   ARG  34          1HB       ARG  34  -8.491  -1.980  -2.056
  234   2HB   ARG  34          2HB       ARG  34  -7.164  -3.015  -2.542
  235   1HG   ARG  34          1HG       ARG  34 -10.043  -3.067  -3.452
  236   2HG   ARG  34          2HG       ARG  34  -8.582  -3.127  -4.417
  237   1HD   ARG  34          1HD       ARG  34  -8.128  -5.441  -3.663
  238   2HD   ARG  34          2HD       ARG  34  -9.501  -5.388  -2.575
  239    HE   ARG  34           HE       ARG  34 -10.433  -4.746  -5.198
  240   1HH1  ARG  34          1HH1      ARG  34  -9.136  -7.487  -3.412
  241   2HH1  ARG  34          2HH1      ARG  34  -9.952  -8.668  -4.381
  242   1HH2  ARG  34          1HH2      ARG  34 -11.510  -6.304  -6.476
  243   2HH2  ARG  34          2HH2      ARG  34 -11.312  -7.991  -6.135
  244    H    GLY  35           H        GLY  35  -6.104  -3.909  -0.023
  245   1HA   GLY  35          1HA       GLY  35  -5.545  -6.660  -0.961
  246   2HA   GLY  35          2HA       GLY  35  -5.137  -6.104   0.650
  247    H    CYS  36           H        CYS  36  -3.733  -4.018   0.747
  248    HA   CYS  36           HA       CYS  36  -1.366  -4.515  -0.584
  249   1HB   CYS  36          1HB       CYS  36  -3.177  -3.200  -2.284
  250   2HB   CYS  36          2HB       CYS  36  -2.070  -1.956  -1.737
  251    H    CYS  37           H        CYS  37  -0.497  -1.679  -0.711
  252    HA   CYS  37           HA       CYS  37  -0.909  -0.953   2.099
  253   1HB   CYS  37          1HB       CYS  37   1.599  -1.236   0.516
  254   2HB   CYS  37          2HB       CYS  37   1.509   0.095   1.653
  255    H    PHE  38           H        PHE  38  -0.960   1.374   2.507
  256    HA   PHE  38           HA       PHE  38  -1.415   2.921   0.053
  257   1HB   PHE  38          1HB       PHE  38  -3.467   2.568   1.398
  258   2HB   PHE  38          2HB       PHE  38  -2.619   2.967   2.879
  259    HD1  PHE  38           HD1      PHE  38  -3.946   4.379  -0.265
  260    HD2  PHE  38           HD2      PHE  38  -2.398   5.220   3.595
  261    HE1  PHE  38           HE1      PHE  38  -4.666   6.772  -0.498
  262    HE2  PHE  38           HE2      PHE  38  -3.117   7.613   3.363
  263    HZ   PHE  38           HZ       PHE  38  -4.243   8.361   1.319
  264    H    ASP  39           H        ASP  39  -1.247   5.431   0.623
  265    HA   ASP  39           HA       ASP  39   0.412   6.221   2.675
  266   1HB   ASP  39          1HB       ASP  39   2.207   4.991   1.563
  267   2HB   ASP  39          2HB       ASP  39   1.801   5.695   0.011
  268    H    SER  40           H        SER  40   0.588   8.567   2.623
  269    HA   SER  40           HA       SER  40  -0.345   9.809   0.169
  270   1HB   SER  40          1HB       SER  40  -1.845  11.302   1.442
  271   2HB   SER  40          2HB       SER  40  -2.309   9.624   1.652
  272    HG   SER  40           HG       SER  40  -2.171  11.066   3.640
  273    H    ARG  41           H        ARG  41   2.232   9.403   1.941
  274    HA   ARG  41           HA       ARG  41   2.883  11.809   3.080
  275   1HB   ARG  41          1HB       ARG  41   4.106   9.394   2.903
  276   2HB   ARG  41          2HB       ARG  41   5.037  10.231   1.677
  277   1HG   ARG  41          1HG       ARG  41   5.274  12.129   3.502
  278   2HG   ARG  41          2HG       ARG  41   4.800  10.877   4.633
  279   1HD   ARG  41          1HD       ARG  41   7.061  10.444   4.687
  280   2HD   ARG  41          2HD       ARG  41   6.712   9.505   3.250
  281    HE   ARG  41           HE       ARG  41   7.141  12.137   2.346
  282   1HH1  ARG  41          1HH1      ARG  41   8.987   9.676   4.053
  283   2HH1  ARG  41          2HH1      ARG  41  10.516  10.223   3.450
  284   1HH2  ARG  41          1HH2      ARG  41   9.158  12.860   1.550
  285   2HH2  ARG  41          2HH2      ARG  41  10.614  12.046   2.017
  286    H    ILE  42           H        ILE  42   3.306  10.581  -0.292
  287    HA   ILE  42           HA       ILE  42   3.486  13.315  -1.211
  288    HB   ILE  42           HB       ILE  42   5.524  12.252  -2.663
  289   1HG1  ILE  42          1HG1      ILE  42   7.117  11.253  -1.052
  290   2HG1  ILE  42          2HG1      ILE  42   5.858  11.211   0.166
  291   1HG2  ILE  42          1HG2      ILE  42   5.171  14.226  -0.555
  292   2HG2  ILE  42          2HG2      ILE  42   6.808  13.529  -0.555
  293   3HG2  ILE  42          3HG2      ILE  42   6.164  14.287  -2.031
  294   1HD1  ILE  42          1HD1      ILE  42   5.135   9.988  -2.464
  295   2HD1  ILE  42          2HD1      ILE  42   6.377   9.133  -1.518
  296   3HD1  ILE  42          3HD1      ILE  42   4.771   9.433  -0.812
  297    HA   PRO  43           HA       PRO  43   1.096  11.362  -4.252
  298   1HB   PRO  43          1HB       PRO  43   0.714  13.496  -5.916
  299   2HB   PRO  43          2HB       PRO  43  -0.248  13.218  -4.478
  300   1HG   PRO  43          1HG       PRO  43   1.908  15.194  -4.912
  301   2HG   PRO  43          2HG       PRO  43   0.669  15.175  -3.672
  302   1HD   PRO  43          1HD       PRO  43   3.427  14.456  -3.353
  303   2HD   PRO  43          2HD       PRO  43   2.164  14.327  -2.146
  304    H    GLY  44           H        GLY  44   3.969  13.132  -5.096
  305   1HA   GLY  44          1HA       GLY  44   5.622  12.557  -6.523
  306   2HA   GLY  44          2HA       GLY  44   4.332  12.521  -7.708
  307    H    VAL  45           H        VAL  45   4.472  10.288  -4.913
  308    HA   VAL  45           HA       VAL  45   5.348   8.156  -6.718
  309    HB   VAL  45           HB       VAL  45   6.260   7.112  -4.921
  310   1HG1  VAL  45          1HG1      VAL  45   6.213  10.045  -4.161
  311   2HG1  VAL  45          2HG1      VAL  45   7.202   8.834  -3.309
  312   3HG1  VAL  45          3HG1      VAL  45   7.479   9.152  -5.039
  313   1HG2  VAL  45          1HG2      VAL  45   4.017   8.332  -3.324
  314   2HG2  VAL  45          2HG2      VAL  45   4.457   6.620  -3.536
  315   3HG2  VAL  45          3HG2      VAL  45   5.453   7.674  -2.504
  316    HA   PRO  46           HA       PRO  46   1.497   6.199  -6.509
  317   1HB   PRO  46          1HB       PRO  46   2.043   3.545  -6.154
  318   2HB   PRO  46          2HB       PRO  46   2.206   4.359  -7.698
  319   1HG   PRO  46          1HG       PRO  46   4.324   3.494  -5.825
  320   2HG   PRO  46          2HG       PRO  46   4.461   3.909  -7.522
  321   1HD   PRO  46          1HD       PRO  46   5.224   5.540  -5.289
  322   2HD   PRO  46          2HD       PRO  46   5.253   5.999  -6.980
  323    H    TRP  47           H        TRP  47   0.636   7.326  -4.718
  324    HA   TRP  47           HA       TRP  47   0.956   6.974  -2.155
  325   1HB   TRP  47          1HB       TRP  47  -1.518   7.249  -3.785
  326   2HB   TRP  47          2HB       TRP  47  -1.711   6.878  -2.083
  327    HD1  TRP  47           HD1      TRP  47   1.154   9.199  -3.214
  328    HE1  TRP  47           HE1      TRP  47   0.797  11.659  -2.329
  329    HE3  TRP  47           HE3      TRP  47  -3.528   8.423  -1.390
  330    HZ2  TRP  47           HZ2      TRP  47  -1.356  12.975  -0.995
  331    HZ3  TRP  47           HZ3      TRP  47  -4.688  10.348  -0.311
  332    HH2  TRP  47           HH2      TRP  47  -3.677  12.563  -0.099
  333    H    CYS  48           H        CYS  48  -1.072   4.690  -4.140
  334    HA   CYS  48           HA       CYS  48  -0.925   2.781  -1.966
  335   1HB   CYS  48          1HB       CYS  48  -3.045   3.362  -3.295
  336   2HB   CYS  48          2HB       CYS  48  -2.356   2.405  -4.592
  337    H    PHE  49           H        PHE  49   0.825   1.414  -1.926
  338    HA   PHE  49           HA       PHE  49   1.777   0.408  -4.502
  339   1HB   PHE  49          1HB       PHE  49   4.118   0.614  -3.354
  340   2HB   PHE  49          2HB       PHE  49   3.388   2.115  -3.887
  341    HD1  PHE  49           HD1      PHE  49   3.567  -0.061  -0.860
  342    HD2  PHE  49           HD2      PHE  49   3.274   3.882  -2.401
  343    HE1  PHE  49           HE1      PHE  49   3.766   0.862   1.465
  344    HE2  PHE  49           HE2      PHE  49   3.472   4.805  -0.075
  345    HZ   PHE  49           HZ       PHE  49   3.716   3.285   1.830
  346    H    LYS  50           H        LYS  50   3.203  -1.589  -4.198
  347    HA   LYS  50           HA       LYS  50   1.823  -3.432  -2.595
  348   1HB   LYS  50          1HB       LYS  50   4.449  -3.599  -4.096
  349   2HB   LYS  50          2HB       LYS  50   3.703  -4.966  -3.292
  350   1HG   LYS  50          1HG       LYS  50   1.548  -4.113  -4.703
  351   2HG   LYS  50          2HG       LYS  50   2.805  -3.483  -5.749
  352   1HD   LYS  50          1HD       LYS  50   3.678  -6.096  -5.121
  353   2HD   LYS  50          2HD       LYS  50   1.948  -6.265  -5.339
  354   1HE   LYS  50          1HE       LYS  50   2.849  -4.544  -7.441
  355   2HE   LYS  50          2HE       LYS  50   4.007  -5.857  -7.356
  356   1HZ   LYS  50          1HZ       LYS  50   1.714  -7.166  -7.134
  357   2HZ   LYS  50          2HZ       LYS  50   1.239  -5.929  -8.089
  358   3HZ   LYS  50          3HZ       LYS  50   2.467  -6.897  -8.558
  359    HA   PRO  51           HA       PRO  51   3.964  -3.245   1.146
  360   1HB   PRO  51          1HB       PRO  51   3.998  -5.841   2.002
  361   2HB   PRO  51          2HB       PRO  51   2.589  -4.806   2.134
  362   1HG   PRO  51          1HG       PRO  51   3.097  -7.012   0.233
  363   2HG   PRO  51          2HG       PRO  51   1.573  -6.263   0.662
  364   1HD   PRO  51          1HD       PRO  51   3.080  -5.833  -1.740
  365   2HD   PRO  51          2HD       PRO  51   1.617  -4.999  -1.258
  366    H    LEU  52           H        LEU  52   5.989  -2.726   1.662
  367    HA   LEU  52           HA       LEU  52   8.110  -3.237   0.156
  368   1HB   LEU  52          1HB       LEU  52   8.369  -1.763   1.929
  369   2HB   LEU  52          2HB       LEU  52   7.826  -2.926   3.122
  370    HG   LEU  52           HG       LEU  52  10.433  -3.216   1.613
  371   1HD1  LEU  52          1HD1      LEU  52  10.159  -1.076   3.043
  372   2HD1  LEU  52          2HD1      LEU  52  10.253  -2.184   4.434
  373   3HD1  LEU  52          3HD1      LEU  52  11.602  -2.092   3.275
  374   1HD2  LEU  52          1HD2      LEU  52   8.977  -4.924   3.384
  375   2HD2  LEU  52          2HD2      LEU  52  10.548  -5.199   2.593
  376   3HD2  LEU  52          3HD2      LEU  52  10.480  -4.412   4.188
  377    H    GLN  53           H        GLN  53   9.509  -4.882  -0.369
  378    HA   GLN  53           HA       GLN  53   8.621  -7.479   0.100
  379   1HB   GLN  53          1HB       GLN  53  10.910  -6.163  -1.276
  380   2HB   GLN  53          2HB       GLN  53  11.225  -7.803  -0.742
  381   1HG   GLN  53          1HG       GLN  53  10.141  -8.509  -2.609
  382   2HG   GLN  53          2HG       GLN  53   8.653  -7.982  -1.847
  383   2HE2  GLN  53          2HE2      GLN  53   8.524  -5.410  -1.895
  384   1HE2  GLN  53          1HE2      GLN  53   8.673  -4.716  -3.475
  385    H    GLU  54           H        GLU  54   8.453  -7.370   2.523
  386    HA   GLU  54           HA       GLU  54  10.447  -6.927   4.243
  387   1HB   GLU  54          1HB       GLU  54   9.191  -8.129   5.829
  388   2HB   GLU  54          2HB       GLU  54   7.988  -7.693   4.633
  389   1HG   GLU  54          1HG       GLU  54   7.538  -9.975   4.915
  390   2HG   GLU  54          2HG       GLU  54   8.602 -10.011   3.523
  391    H    ALA  55           H        ALA  55  12.486  -7.713   4.544
  392    HA   ALA  55           HA       ALA  55  12.961 -10.538   4.093
  393   1HB   ALA  55          1HB       ALA  55  14.331 -10.336   2.286
  394   2HB   ALA  55          2HB       ALA  55  14.986  -8.773   2.830
  395   3HB   ALA  55          3HB       ALA  55  13.414  -8.838   1.998
  396    H    GLU  56           H        GLU  56  15.183 -11.154   4.929
  397    HA   GLU  56           HA       GLU  56  16.201  -9.180   6.791
  398   1HB   GLU  56          1HB       GLU  56  16.315 -10.925   8.593
  399   2HB   GLU  56          2HB       GLU  56  14.676 -10.486   8.157
  400   1HG   GLU  56          1HG       GLU  56  14.197 -12.612   7.521
  401   2HG   GLU  56          2HG       GLU  56  15.580 -12.662   6.446
  402    H    CYS  57           H        CYS  57  18.448  -9.566   7.435
  403    HA   CYS  57           HA       CYS  57  20.499 -10.355   7.221
  404   1HB   CYS  57          1HB       CYS  57  19.241 -12.652   7.100
  405   2HB   CYS  57          2HB       CYS  57  19.684 -12.597   5.406
  406    H    THR  58           H        THR  58  18.864 -11.230   4.080
  407    HA   THR  58           HA       THR  58  20.777 -10.517   2.331
  408    HB   THR  58           HB       THR  58  18.883 -10.132   0.758
  409    HG1  THR  58           HG1      THR  58  17.541  -9.972   3.362
  410   1HG2  THR  58          1HG2      THR  58  19.255 -12.483   2.110
  411   2HG2  THR  58          2HG2      THR  58  17.613 -12.075   2.663
  412   3HG2  THR  58          3HG2      THR  58  17.948 -12.254   0.924
  413    H    PHE  59           H        PHE  59  18.813  -8.297   4.296
  414    HA   PHE  59           HA       PHE  59  20.076  -6.060   2.901
  415   1HB   PHE  59          1HB       PHE  59  17.596  -6.613   4.540
  416   2HB   PHE  59          2HB       PHE  59  18.288  -5.016   4.737
  417    HD1  PHE  59           HD1      PHE  59  17.976  -7.169   1.704
  418    HD2  PHE  59           HD2      PHE  59  16.904  -3.538   3.621
  419    HE1  PHE  59           HE1      PHE  59  16.815  -6.408  -0.387
  420    HE2  PHE  59           HE2      PHE  59  15.743  -2.776   1.530
  421    HZ   PHE  59           HZ       PHE  59  15.712  -4.220  -0.449

  No H/Q in entry =         421
  Start of MODEL   18
    1    H    GLU   1           H        GLU   1  10.852 -16.496  13.901
    2    HA   GLU   1           HA       GLU   1  10.981 -16.478  16.805
    3   1HB   GLU   1          1HB       GLU   1  12.741 -15.198  15.634
    4   2HB   GLU   1          2HB       GLU   1  11.529 -14.271  14.771
    5   1HG   GLU   1          1HG       GLU   1  10.625 -13.575  17.105
    6   2HG   GLU   1          2HG       GLU   1  12.106 -14.242  17.762
    7    H    GLU   2           H        GLU   2   9.529 -14.319  14.259
    8    HA   GLU   2           HA       GLU   2   6.922 -14.822  14.875
    9   1HB   GLU   2          1HB       GLU   2   8.015 -13.567  17.070
   10   2HB   GLU   2          2HB       GLU   2   7.413 -12.188  16.171
   11   1HG   GLU   2          1HG       GLU   2   5.202 -12.779  16.465
   12   2HG   GLU   2          2HG       GLU   2   5.527 -14.494  16.313
   13    H    TYR   3           H        TYR   3   5.533 -12.588  14.314
   14    HA   TYR   3           HA       TYR   3   6.985 -11.192  12.189
   15   1HB   TYR   3          1HB       TYR   3   5.210 -11.777  10.633
   16   2HB   TYR   3          2HB       TYR   3   5.552 -13.277  11.472
   17    HD1  TYR   3           HD1      TYR   3   3.992 -14.126  13.215
   18    HD2  TYR   3           HD2      TYR   3   3.094 -10.642  10.900
   19    HE1  TYR   3           HE1      TYR   3   1.550 -14.291  13.902
   20    HE2  TYR   3           HE2      TYR   3   0.654 -10.818  11.594
   21    HH   TYR   3           HH       TYR   3  -0.378 -12.515  14.129
   22    H    VAL   4           H        VAL   4   5.727  -9.240  11.393
   23    HA   VAL   4           HA       VAL   4   3.591  -8.283  12.997
   24    HB   VAL   4           HB       VAL   4   5.288  -7.940  14.642
   25   1HG1  VAL   4          1HG1      VAL   4   7.146  -7.928  12.787
   26   2HG1  VAL   4          2HG1      VAL   4   6.907  -6.165  12.835
   27   3HG1  VAL   4          3HG1      VAL   4   7.394  -7.037  14.308
   28   1HG2  VAL   4          1HG2      VAL   4   4.136  -5.588  13.230
   29   2HG2  VAL   4          2HG2      VAL   4   3.938  -6.130  14.914
   30   3HG2  VAL   4          3HG2      VAL   4   5.411  -5.256  14.427
   31    H    GLY   5           H        GLY   5   2.419  -7.598  11.264
   32   1HA   GLY   5          1HA       GLY   5   3.299  -6.838   8.805
   33   2HA   GLY   5          2HA       GLY   5   3.407  -5.364   9.746
   34    H    LEU   6           H        LEU   6   1.539  -4.215  10.299
   35    HA   LEU   6           HA       LEU   6  -0.965  -5.439   9.369
   36   1HB   LEU   6          1HB       LEU   6  -1.427  -3.393  11.312
   37   2HB   LEU   6          2HB       LEU   6  -1.915  -5.076  11.321
   38    HG   LEU   6           HG       LEU   6  -0.690  -4.628  13.324
   39   1HD1  LEU   6          1HD1      LEU   6  -0.005  -6.641  11.516
   40   2HD1  LEU   6          2HD1      LEU   6   1.551  -6.023  12.121
   41   3HD1  LEU   6          3HD1      LEU   6   0.319  -6.607  13.266
   42   1HD2  LEU   6          1HD2      LEU   6   0.763  -2.817  11.768
   43   2HD2  LEU   6          2HD2      LEU   6   0.992  -3.187  13.494
   44   3HD2  LEU   6          3HD2      LEU   6   1.945  -4.052  12.265
   45    H    SER   7           H        SER   7   1.018  -2.463   9.774
   46    HA   SER   7           HA       SER   7   0.401  -1.514   7.286
   47   1HB   SER   7          1HB       SER   7  -1.019   0.547   8.177
   48   2HB   SER   7          2HB       SER   7  -1.810  -0.943   7.701
   49    HG   SER   7           HG       SER   7  -1.073  -1.180  10.313
   50    H    ALA   8           H        ALA   8   2.705  -1.171   7.522
   51    HA   ALA   8           HA       ALA   8   3.548   1.334   8.034
   52   1HB   ALA   8          1HB       ALA   8   3.156  -0.187  10.544
   53   2HB   ALA   8          2HB       ALA   8   4.758   0.572  10.382
   54   3HB   ALA   8          3HB       ALA   8   3.287   1.568  10.278
   55    H    ASN   9           H        ASN   9   4.934  -1.654   9.546
   56    HA   ASN   9           HA       ASN   9   7.404  -1.351   8.496
   57   1HB   ASN   9          1HB       ASN   9   6.086  -3.266  10.043
   58   2HB   ASN   9          2HB       ASN   9   6.488  -4.185   8.607
   59   2HD2  ASN   9          2HD2      ASN   9   8.264  -5.287   8.860
   60   1HD2  ASN   9          1HD2      ASN   9   9.721  -4.776   9.644
   61    H    GLN  10           H        GLN  10   4.645  -3.376   7.240
   62    HA   GLN  10           HA       GLN  10   5.991  -4.222   4.962
   63   1HB   GLN  10          1HB       GLN  10   3.723  -4.892   4.162
   64   2HB   GLN  10          2HB       GLN  10   4.028  -5.401   5.811
   65   1HG   GLN  10          1HG       GLN  10   2.898  -2.739   5.888
   66   2HG   GLN  10          2HG       GLN  10   1.903  -3.722   4.831
   67   2HE2  GLN  10          2HE2      GLN  10   0.943  -5.624   5.605
   68   1HE2  GLN  10          1HE2      GLN  10   0.665  -5.902   7.292
   69    H    CYS  11           H        CYS  11   4.268  -1.245   5.776
   70    HA   CYS  11           HA       CYS  11   4.539  -0.405   2.982
   71   1HB   CYS  11          1HB       CYS  11   2.821   1.172   4.805
   72   2HB   CYS  11          2HB       CYS  11   2.625   0.797   3.104
   73    H    ALA  12           H        ALA  12   6.851  -0.449   4.525
   74    HA   ALA  12           HA       ALA  12   7.138   2.346   5.393
   75   1HB   ALA  12          1HB       ALA  12   9.198   1.295   6.601
   76   2HB   ALA  12          2HB       ALA  12   7.577   1.011   7.277
   77   3HB   ALA  12          3HB       ALA  12   8.374  -0.256   6.315
   78    H    VAL  13           H        VAL  13   7.131   1.922   2.665
   79    HA   VAL  13           HA       VAL  13   9.856   1.458   1.822
   80    HB   VAL  13           HB       VAL  13   7.844   2.504  -0.070
   81   1HG1  VAL  13          1HG1      VAL  13  10.119   0.631  -0.006
   82   2HG1  VAL  13          2HG1      VAL  13   8.755   0.094  -1.016
   83   3HG1  VAL  13          3HG1      VAL  13   9.522   1.671  -1.321
   84   1HG2  VAL  13          1HG2      VAL  13   7.370   0.031   1.575
   85   2HG2  VAL  13          2HG2      VAL  13   6.217   1.274   1.032
   86   3HG2  VAL  13          3HG2      VAL  13   6.849   0.080  -0.127
   87    HA   PRO  14           HA       PRO  14  10.957   5.638   1.832
   88   1HB   PRO  14          1HB       PRO  14  13.011   5.646   0.029
   89   2HB   PRO  14          2HB       PRO  14  13.197   5.121   1.690
   90   1HG   PRO  14          1HG       PRO  14  13.051   3.482  -0.765
   91   2HG   PRO  14          2HG       PRO  14  13.651   3.034   0.819
   92   1HD   PRO  14          1HD       PRO  14  11.126   2.304  -0.329
   93   2HD   PRO  14          2HD       PRO  14  11.678   1.955   1.297
   94    H    ALA  15           H        ALA  15   9.248   4.284  -0.556
   95    HA   ALA  15           HA       ALA  15   7.798   5.358  -1.915
   96   1HB   ALA  15          1HB       ALA  15   9.374   7.887  -2.110
   97   2HB   ALA  15          2HB       ALA  15   7.618   7.643  -1.960
   98   3HB   ALA  15          3HB       ALA  15   8.661   7.508  -0.524
   99    H    LYS  16           H        LYS  16  11.307   5.353  -2.186
  100    HA   LYS  16           HA       LYS  16  11.169   5.556  -5.081
  101   1HB   LYS  16          1HB       LYS  16  13.601   5.611  -4.977
  102   2HB   LYS  16          2HB       LYS  16  12.906   6.808  -3.903
  103   1HG   LYS  16          1HG       LYS  16  14.318   5.905  -2.343
  104   2HG   LYS  16          2HG       LYS  16  13.082   4.673  -2.185
  105   1HD   LYS  16          1HD       LYS  16  15.258   3.590  -2.510
  106   2HD   LYS  16          2HD       LYS  16  14.248   3.281  -3.908
  107   1HE   LYS  16          1HE       LYS  16  15.700   4.345  -5.300
  108   2HE   LYS  16          2HE       LYS  16  15.740   5.769  -4.279
  109   1HZ   LYS  16          1HZ       LYS  16  17.322   4.614  -2.863
  110   2HZ   LYS  16          2HZ       LYS  16  17.311   3.321  -3.860
  111   3HZ   LYS  16          3HZ       LYS  16  17.884   4.755  -4.390
  112    H    ASP  17           H        ASP  17  10.138   3.258  -3.177
  113    HA   ASP  17           HA       ASP  17  11.332   1.191  -4.832
  114   1HB   ASP  17          1HB       ASP  17  11.643   1.486  -1.988
  115   2HB   ASP  17          2HB       ASP  17  10.581   0.115  -2.244
  116    H    ARG  18           H        ARG  18   8.706   2.907  -4.492
  117    HA   ARG  18           HA       ARG  18   6.773   1.025  -3.667
  118   1HB   ARG  18          1HB       ARG  18   6.290   3.527  -5.351
  119   2HB   ARG  18          2HB       ARG  18   5.148   2.734  -4.285
  120   1HG   ARG  18          1HG       ARG  18   7.752   4.023  -3.341
  121   2HG   ARG  18          2HG       ARG  18   6.194   4.825  -3.306
  122   1HD   ARG  18          1HD       ARG  18   5.391   2.715  -1.943
  123   2HD   ARG  18          2HD       ARG  18   7.099   2.407  -1.703
  124    HE   ARG  18           HE       ARG  18   7.100   4.112  -0.120
  125   1HH1  ARG  18          1HH1      ARG  18   4.523   4.751  -2.430
  126   2HH1  ARG  18          2HH1      ARG  18   3.966   6.171  -1.610
  127   1HH2  ARG  18          1HH2      ARG  18   6.365   5.986   0.962
  128   2HH2  ARG  18          2HH2      ARG  18   5.021   6.878   0.332
  129    H    VAL  19           H        VAL  19   6.011  -0.671  -4.890
  130    HA   VAL  19           HA       VAL  19   6.678  -0.766  -7.688
  131    HB   VAL  19           HB       VAL  19   5.232  -2.675  -5.841
  132   1HG1  VAL  19          1HG1      VAL  19   5.728  -2.728  -8.763
  133   2HG1  VAL  19          2HG1      VAL  19   6.132  -4.223  -7.884
  134   3HG1  VAL  19          3HG1      VAL  19   4.486  -3.553  -7.790
  135   1HG2  VAL  19          1HG2      VAL  19   7.859  -2.013  -5.746
  136   2HG2  VAL  19          2HG2      VAL  19   7.226  -3.625  -5.331
  137   3HG2  VAL  19          3HG2      VAL  19   7.907  -3.325  -6.949
  138    H    ASP  20           H        ASP  20   4.201   0.613  -5.821
  139    HA   ASP  20           HA       ASP  20   2.257   1.450  -6.287
  140   1HB   ASP  20          1HB       ASP  20   3.138   2.570  -8.196
  141   2HB   ASP  20          2HB       ASP  20   3.334   1.080  -9.096
  142    H    CYS  21           H        CYS  21   0.412   0.254  -5.795
  143    HA   CYS  21           HA       CYS  21   0.132  -2.376  -6.906
  144   1HB   CYS  21          1HB       CYS  21  -0.485  -1.311  -4.492
  145   2HB   CYS  21          2HB       CYS  21  -2.050  -1.220  -5.274
  146    H    GLY  22           H        GLY  22  -0.868   0.899  -7.573
  147   1HA   GLY  22          1HA       GLY  22  -2.196   0.186  -9.961
  148   2HA   GLY  22          2HA       GLY  22  -2.130   1.772  -9.218
  149    H    TYR  23           H        TYR  23  -3.800   2.467  -7.772
  150    HA   TYR  23           HA       TYR  23  -6.231   0.859  -8.023
  151   1HB   TYR  23          1HB       TYR  23  -4.681   1.811  -5.588
  152   2HB   TYR  23          2HB       TYR  23  -6.428   1.905  -5.483
  153    HD1  TYR  23           HD1      TYR  23  -7.696  -0.339  -6.219
  154    HD2  TYR  23           HD2      TYR  23  -3.642  -0.138  -4.867
  155    HE1  TYR  23           HE1      TYR  23  -7.783  -2.796  -5.568
  156    HE2  TYR  23           HE2      TYR  23  -3.743  -2.595  -4.221
  157    HH   TYR  23           HH       TYR  23  -5.680  -4.197  -3.539
  158    HA   PRO  24           HA       PRO  24  -7.940   4.755  -8.821
  159   1HB   PRO  24          1HB       PRO  24 -10.598   4.224  -8.471
  160   2HB   PRO  24          2HB       PRO  24  -9.725   3.820  -9.936
  161   1HG   PRO  24          1HG       PRO  24 -10.630   2.031  -7.764
  162   2HG   PRO  24          2HG       PRO  24 -10.149   1.618  -9.398
  163   1HD   PRO  24          1HD       PRO  24  -8.594   1.275  -7.012
  164   2HD   PRO  24          2HD       PRO  24  -8.071   0.971  -8.657
  165    H    HIS  25           H        HIS  25 -10.137   3.606  -6.323
  166    HA   HIS  25           HA       HIS  25  -9.746   6.137  -4.992
  167   1HB   HIS  25          1HB       HIS  25 -11.663   5.548  -3.686
  168   2HB   HIS  25          2HB       HIS  25 -12.009   5.213  -5.371
  169    HD1  HIS  25           HD1      HIS  25 -13.764   3.783  -3.421
  170    HD2  HIS  25           HD2      HIS  25 -10.077   2.209  -4.655
  171    HE1  HIS  25           HE1      HIS  25 -13.885   1.268  -3.004
  172    HE2  HIS  25           HE2      HIS  25 -11.612   0.349  -3.832
  173    H    VAL  26           H        VAL  26  -7.529   5.874  -4.302
  174    HA   VAL  26           HA       VAL  26  -7.061   3.706  -2.413
  175    HB   VAL  26           HB       VAL  26  -4.719   4.528  -2.525
  176   1HG1  VAL  26          1HG1      VAL  26  -6.054   3.838  -5.164
  177   2HG1  VAL  26          2HG1      VAL  26  -4.303   3.755  -4.853
  178   3HG1  VAL  26          3HG1      VAL  26  -5.418   2.698  -3.954
  179   1HG2  VAL  26          1HG2      VAL  26  -5.702   6.892  -3.356
  180   2HG2  VAL  26          2HG2      VAL  26  -4.042   6.353  -3.706
  181   3HG2  VAL  26          3HG2      VAL  26  -5.315   6.170  -4.936
  182    H    THR  27           H        THR  27  -6.844   4.005  -0.216
  183    HA   THR  27           HA       THR  27  -6.567   6.692   0.823
  184    HB   THR  27           HB       THR  27  -8.694   6.818   1.849
  185    HG1  THR  27           HG1      THR  27  -9.930   4.702   1.991
  186   1HG2  THR  27          1HG2      THR  27  -9.165   5.113  -0.653
  187   2HG2  THR  27          2HG2      THR  27 -10.443   5.976   0.235
  188   3HG2  THR  27          3HG2      THR  27  -9.156   6.892  -0.586
  189    HA   PRO  28           HA       PRO  28  -4.669   4.622   4.072
  190   1HB   PRO  28          1HB       PRO  28  -5.352   6.020   6.319
  191   2HB   PRO  28          2HB       PRO  28  -4.137   6.568   5.181
  192   1HG   PRO  28          1HG       PRO  28  -6.898   7.553   5.562
  193   2HG   PRO  28          2HG       PRO  28  -5.554   8.338   4.757
  194   1HD   PRO  28          1HD       PRO  28  -7.780   7.034   3.504
  195   2HD   PRO  28          2HD       PRO  28  -6.379   7.716   2.703
  196    H    LYS  29           H        LYS  29  -7.035   3.349   3.224
  197    HA   LYS  29           HA       LYS  29  -7.307   1.527   5.300
  198   1HB   LYS  29          1HB       LYS  29  -8.543   3.650   6.215
  199   2HB   LYS  29          2HB       LYS  29  -9.823   3.165   5.122
  200   1HG   LYS  29          1HG       LYS  29  -8.652   0.990   6.823
  201   2HG   LYS  29          2HG       LYS  29  -9.583   2.210   7.669
  202   1HD   LYS  29          1HD       LYS  29 -11.434   1.833   5.904
  203   2HD   LYS  29          2HD       LYS  29 -10.522   0.432   5.377
  204   1HE   LYS  29          1HE       LYS  29 -11.419   0.850   8.267
  205   2HE   LYS  29          2HE       LYS  29 -12.361  -0.045   7.091
  206   1HZ   LYS  29          1HZ       LYS  29 -10.229  -1.356   6.761
  207   2HZ   LYS  29          2HZ       LYS  29  -9.735  -0.711   8.178
  208   3HZ   LYS  29          3HZ       LYS  29 -11.083  -1.631   8.126
  209    H    GLU  30           H        GLU  30  -8.863   3.206   2.521
  210    HA   GLU  30           HA       GLU  30 -10.214   0.848   1.723
  211   1HB   GLU  30          1HB       GLU  30 -11.111   3.088   1.212
  212   2HB   GLU  30          2HB       GLU  30  -9.688   3.475   0.265
  213   1HG   GLU  30          1HG       GLU  30 -10.546   2.449  -1.567
  214   2HG   GLU  30          2HG       GLU  30 -10.796   0.959  -0.679
  215    H    CYS  31           H        CYS  31  -7.163   2.534   0.867
  216    HA   CYS  31           HA       CYS  31  -6.629   0.871  -1.362
  217   1HB   CYS  31          1HB       CYS  31  -5.540   2.871  -1.540
  218   2HB   CYS  31          2HB       CYS  31  -5.169   2.965   0.170
  219    H    ASN  32           H        ASN  32  -6.137   0.761   2.153
  220    HA   ASN  32           HA       ASN  32  -4.303  -1.445   1.883
  221   1HB   ASN  32          1HB       ASN  32  -3.653  -0.927   4.039
  222   2HB   ASN  32          2HB       ASN  32  -4.475   0.589   3.730
  223   2HD2  ASN  32          2HD2      ASN  32  -4.058  -1.426   6.062
  224   1HD2  ASN  32          1HD2      ASN  32  -5.612  -1.522   6.820
  225    H    ASN  33           H        ASN  33  -7.568  -1.042   1.598
  226    HA   ASN  33           HA       ASN  33  -8.254  -3.326   3.250
  227   1HB   ASN  33          1HB       ASN  33  -9.803  -1.521   3.597
  228   2HB   ASN  33          2HB       ASN  33  -9.864  -1.127   1.891
  229   2HD2  ASN  33          2HD2      ASN  33 -11.529  -1.806   0.781
  230   1HD2  ASN  33          1HD2      ASN  33 -12.602  -3.104   1.186
  231    H    ARG  34           H        ARG  34  -8.295  -1.975  -0.098
  232    HA   ARG  34           HA       ARG  34  -9.685  -3.995  -1.315
  233   1HB   ARG  34          1HB       ARG  34  -8.566  -1.657  -2.151
  234   2HB   ARG  34          2HB       ARG  34  -7.370  -2.762  -2.796
  235   1HG   ARG  34          1HG       ARG  34 -10.373  -2.996  -3.307
  236   2HG   ARG  34          2HG       ARG  34  -9.245  -2.235  -4.410
  237   1HD   ARG  34          1HD       ARG  34  -7.933  -4.556  -4.189
  238   2HD   ARG  34          2HD       ARG  34  -9.497  -5.161  -3.679
  239    HE   ARG  34           HE       ARG  34  -9.866  -3.602  -6.051
  240   1HH1  ARG  34          1HH1      ARG  34  -8.447  -6.654  -5.025
  241   2HH1  ARG  34          2HH1      ARG  34  -8.673  -7.422  -6.560
  242   1HH2  ARG  34          1HH2      ARG  34 -10.164  -4.615  -8.078
  243   2HH2  ARG  34          2HH2      ARG  34  -9.657  -6.255  -8.309
  244    H    GLY  35           H        GLY  35  -6.312  -3.795  -0.206
  245   1HA   GLY  35          1HA       GLY  35  -5.786  -6.460  -1.379
  246   2HA   GLY  35          2HA       GLY  35  -5.411  -6.066   0.287
  247    H    CYS  36           H        CYS  36  -3.911  -4.130   0.661
  248    HA   CYS  36           HA       CYS  36  -1.521  -4.517  -0.550
  249   1HB   CYS  36          1HB       CYS  36  -3.203  -3.184  -2.378
  250   2HB   CYS  36          2HB       CYS  36  -2.101  -1.966  -1.768
  251    H    CYS  37           H        CYS  37  -0.590  -1.724  -0.603
  252    HA   CYS  37           HA       CYS  37  -1.221  -0.977   2.161
  253   1HB   CYS  37          1HB       CYS  37   1.393  -1.214   0.740
  254   2HB   CYS  37          2HB       CYS  37   1.208   0.075   1.912
  255    H    PHE  38           H        PHE  38  -1.178   1.383   2.570
  256    HA   PHE  38           HA       PHE  38  -1.540   2.913   0.090
  257   1HB   PHE  38          1HB       PHE  38  -3.657   2.586   1.337
  258   2HB   PHE  38          2HB       PHE  38  -2.877   2.982   2.855
  259    HD1  PHE  38           HD1      PHE  38  -4.044   4.394  -0.351
  260    HD2  PHE  38           HD2      PHE  38  -2.664   5.236   3.572
  261    HE1  PHE  38           HE1      PHE  38  -4.729   6.793  -0.625
  262    HE2  PHE  38           HE2      PHE  38  -3.349   7.635   3.298
  263    HZ   PHE  38           HZ       PHE  38  -4.373   8.385   1.203
  264    H    ASP  39           H        ASP  39  -1.370   5.422   0.647
  265    HA   ASP  39           HA       ASP  39   0.206   6.198   2.775
  266   1HB   ASP  39          1HB       ASP  39   2.059   5.003   1.777
  267   2HB   ASP  39          2HB       ASP  39   1.679   5.609   0.177
  268    H    SER  40           H        SER  40   0.401   8.544   2.737
  269    HA   SER  40           HA       SER  40  -0.468   9.794   0.261
  270   1HB   SER  40          1HB       SER  40  -1.976  11.294   1.487
  271   2HB   SER  40          2HB       SER  40  -2.437   9.626   1.764
  272    HG   SER  40           HG       SER  40  -1.251   9.719   3.811
  273    H    ARG  41           H        ARG  41   2.081   9.355   2.076
  274    HA   ARG  41           HA       ARG  41   2.768  11.741   3.215
  275   1HB   ARG  41          1HB       ARG  41   3.965   9.303   2.977
  276   2HB   ARG  41          2HB       ARG  41   4.921  10.182   1.801
  277   1HG   ARG  41          1HG       ARG  41   4.613  11.826   4.176
  278   2HG   ARG  41          2HG       ARG  41   5.164  10.233   4.658
  279   1HD   ARG  41          1HD       ARG  41   7.245  10.587   3.795
  280   2HD   ARG  41          2HD       ARG  41   6.598  11.148   2.266
  281    HE   ARG  41           HE       ARG  41   6.179  13.184   4.243
  282   1HH1  ARG  41          1HH1      ARG  41   8.778  11.678   2.410
  283   2HH1  ARG  41          2HH1      ARG  41   9.793  13.080   2.453
  284   1HH2  ARG  41          1HH2      ARG  41   7.518  15.035   4.300
  285   2HH2  ARG  41          2HH2      ARG  41   9.072  15.003   3.535
  286    H    ILE  42           H        ILE  42   3.380  10.500  -0.144
  287    HA   ILE  42           HA       ILE  42   3.509  13.254  -1.054
  288    HB   ILE  42           HB       ILE  42   5.568  12.168  -2.476
  289   1HG1  ILE  42          1HG1      ILE  42   7.133  11.194  -0.825
  290   2HG1  ILE  42          2HG1      ILE  42   5.857  11.178   0.376
  291   1HG2  ILE  42          1HG2      ILE  42   5.348  14.024  -0.148
  292   2HG2  ILE  42          2HG2      ILE  42   6.969  13.514  -0.678
  293   3HG2  ILE  42          3HG2      ILE  42   5.876  14.332  -1.820
  294   1HD1  ILE  42          1HD1      ILE  42   5.062   9.924  -2.189
  295   2HD1  ILE  42          2HD1      ILE  42   6.413   9.104  -1.370
  296   3HD1  ILE  42          3HD1      ILE  42   4.864   9.330  -0.523
  297    HA   PRO  43           HA       PRO  43   1.185  11.358  -4.176
  298   1HB   PRO  43          1HB       PRO  43   0.958  13.471  -5.894
  299   2HB   PRO  43          2HB       PRO  43  -0.067  13.265  -4.488
  300   1HG   PRO  43          1HG       PRO  43   2.188  15.137  -4.880
  301   2HG   PRO  43          2HG       PRO  43   0.906  15.198  -3.687
  302   1HD   PRO  43          1HD       PRO  43   3.616  14.367  -3.252
  303   2HD   PRO  43          2HD       PRO  43   2.306  14.318  -2.090
  304    H    GLY  44           H        GLY  44   4.102  13.080  -5.041
  305   1HA   GLY  44          1HA       GLY  44   5.810  12.333  -6.342
  306   2HA   GLY  44          2HA       GLY  44   4.571  12.408  -7.579
  307    H    VAL  45           H        VAL  45   4.886  10.150  -4.759
  308    HA   VAL  45           HA       VAL  45   5.494   7.986  -6.600
  309    HB   VAL  45           HB       VAL  45   6.327   6.866  -4.802
  310   1HG1  VAL  45          1HG1      VAL  45   7.170   9.403  -5.033
  311   2HG1  VAL  45          2HG1      VAL  45   6.584   9.458  -3.354
  312   3HG1  VAL  45          3HG1      VAL  45   7.828   8.276  -3.824
  313   1HG2  VAL  45          1HG2      VAL  45   4.326   8.350  -3.075
  314   2HG2  VAL  45          2HG2      VAL  45   4.345   6.620  -3.490
  315   3HG2  VAL  45          3HG2      VAL  45   5.599   7.292  -2.421
  316    HA   PRO  46           HA       PRO  46   1.543   6.239  -6.430
  317   1HB   PRO  46          1HB       PRO  46   1.957   3.551  -6.160
  318   2HB   PRO  46          2HB       PRO  46   2.150   4.402  -7.679
  319   1HG   PRO  46          1HG       PRO  46   4.235   3.376  -5.852
  320   2HG   PRO  46          2HG       PRO  46   4.381   3.836  -7.536
  321   1HD   PRO  46          1HD       PRO  46   5.240   5.357  -5.261
  322   2HD   PRO  46          2HD       PRO  46   5.281   5.865  -6.937
  323    H    TRP  47           H        TRP  47   0.660   7.301  -4.641
  324    HA   TRP  47           HA       TRP  47   0.982   6.925  -2.082
  325   1HB   TRP  47          1HB       TRP  47  -1.503   7.193  -3.701
  326   2HB   TRP  47          2HB       TRP  47  -1.679   6.828  -1.996
  327    HD1  TRP  47           HD1      TRP  47   1.209   9.128  -3.063
  328    HE1  TRP  47           HE1      TRP  47   0.835  11.600  -2.220
  329    HE3  TRP  47           HE3      TRP  47  -3.553   8.409  -1.431
  330    HZ2  TRP  47           HZ2      TRP  47  -1.361  12.948  -0.993
  331    HZ3  TRP  47           HZ3      TRP  47  -4.741  10.355  -0.423
  332    HH2  TRP  47           HH2      TRP  47  -3.722  12.564  -0.192
  333    H    CYS  48           H        CYS  48  -1.051   4.656  -4.079
  334    HA   CYS  48           HA       CYS  48  -0.928   2.734  -1.924
  335   1HB   CYS  48          1HB       CYS  48  -2.986   3.330  -3.405
  336   2HB   CYS  48          2HB       CYS  48  -2.247   2.264  -4.582
  337    H    PHE  49           H        PHE  49   0.709   1.235  -1.847
  338    HA   PHE  49           HA       PHE  49   1.779   0.268  -4.377
  339   1HB   PHE  49          1HB       PHE  49   4.102   0.529  -3.222
  340   2HB   PHE  49          2HB       PHE  49   3.353   2.019  -3.761
  341    HD1  PHE  49           HD1      PHE  49   3.680  -0.139  -0.743
  342    HD2  PHE  49           HD2      PHE  49   3.079   3.776  -2.265
  343    HE1  PHE  49           HE1      PHE  49   3.857   0.792   1.582
  344    HE2  PHE  49           HE2      PHE  49   3.257   4.707   0.060
  345    HZ   PHE  49           HZ       PHE  49   3.644   3.204   1.955
  346    H    LYS  50           H        LYS  50   3.219  -1.708  -4.009
  347    HA   LYS  50           HA       LYS  50   1.835  -3.500  -2.322
  348   1HB   LYS  50          1HB       LYS  50   4.404  -3.779  -3.908
  349   2HB   LYS  50          2HB       LYS  50   3.608  -5.101  -3.079
  350   1HG   LYS  50          1HG       LYS  50   1.483  -4.066  -4.479
  351   2HG   LYS  50          2HG       LYS  50   2.795  -3.655  -5.566
  352   1HD   LYS  50          1HD       LYS  50   3.318  -6.327  -4.737
  353   2HD   LYS  50          2HD       LYS  50   1.593  -6.267  -5.037
  354   1HE   LYS  50          1HE       LYS  50   2.506  -4.882  -7.228
  355   2HE   LYS  50          2HE       LYS  50   3.865  -5.955  -6.957
  356   1HZ   LYS  50          1HZ       LYS  50   2.004  -7.710  -6.752
  357   2HZ   LYS  50          2HZ       LYS  50   1.116  -6.635  -7.602
  358   3HZ   LYS  50          3HZ       LYS  50   2.502  -7.226  -8.230
  359    HA   PRO  51           HA       PRO  51   4.172  -3.279   1.300
  360   1HB   PRO  51          1HB       PRO  51   4.268  -5.863   2.185
  361   2HB   PRO  51          2HB       PRO  51   2.860  -4.837   2.375
  362   1HG   PRO  51          1HG       PRO  51   3.288  -7.064   0.478
  363   2HG   PRO  51          2HG       PRO  51   1.782  -6.319   0.974
  364   1HD   PRO  51          1HD       PRO  51   3.162  -5.910  -1.506
  365   2HD   PRO  51          2HD       PRO  51   1.719  -5.079  -0.961
  366    H    LEU  52           H        LEU  52   6.214  -2.698   1.640
  367    HA   LEU  52           HA       LEU  52   8.259  -3.205   0.066
  368   1HB   LEU  52          1HB       LEU  52   8.453  -1.748   1.932
  369   2HB   LEU  52          2HB       LEU  52   8.236  -3.058   3.076
  370    HG   LEU  52           HG       LEU  52  10.617  -2.799   1.219
  371   1HD1  LEU  52          1HD1      LEU  52  10.022  -1.223   3.462
  372   2HD1  LEU  52          2HD1      LEU  52  11.222  -2.415   4.017
  373   3HD1  LEU  52          3HD1      LEU  52  11.582  -1.375   2.619
  374   1HD2  LEU  52          1HD2      LEU  52   9.677  -4.897   3.016
  375   2HD2  LEU  52          2HD2      LEU  52  10.938  -4.937   1.759
  376   3HD2  LEU  52          3HD2      LEU  52  11.330  -4.356   3.395
  377    H    GLN  53           H        GLN  53   9.753  -4.803  -0.445
  378    HA   GLN  53           HA       GLN  53   8.882  -7.421  -0.067
  379   1HB   GLN  53          1HB       GLN  53  11.168  -6.042  -1.373
  380   2HB   GLN  53          2HB       GLN  53  11.515  -7.682  -0.862
  381   1HG   GLN  53          1HG       GLN  53  10.473  -8.389  -2.751
  382   2HG   GLN  53          2HG       GLN  53   8.962  -7.894  -2.015
  383   2HE2  GLN  53          2HE2      GLN  53   8.846  -5.299  -2.020
  384   1HE2  GLN  53          1HE2      GLN  53   8.999  -4.594  -3.595
  385    H    GLU  54           H        GLU  54   8.669  -7.360   2.361
  386    HA   GLU  54           HA       GLU  54  10.624  -6.954   4.128
  387   1HB   GLU  54          1HB       GLU  54   9.335  -8.178   5.655
  388   2HB   GLU  54          2HB       GLU  54   8.155  -7.782   4.422
  389   1HG   GLU  54          1HG       GLU  54   8.777 -10.056   3.323
  390   2HG   GLU  54          2HG       GLU  54   9.606 -10.429   4.822
  391    H    ALA  55           H        ALA  55  12.666  -7.723   4.440
  392    HA   ALA  55           HA       ALA  55  13.225 -10.506   4.190
  393   1HB   ALA  55          1HB       ALA  55  13.257  -9.866   1.804
  394   2HB   ALA  55          2HB       ALA  55  14.886 -10.295   2.377
  395   3HB   ALA  55          3HB       ALA  55  14.440  -8.585   2.161
  396    H    GLU  56           H        GLU  56  14.181 -10.595   6.183
  397    HA   GLU  56           HA       GLU  56  15.617  -8.463   7.246
  398   1HB   GLU  56          1HB       GLU  56  15.058 -11.301   7.975
  399   2HB   GLU  56          2HB       GLU  56  16.504 -10.620   8.694
  400   1HG   GLU  56          1HG       GLU  56  14.605  -8.568   8.990
  401   2HG   GLU  56          2HG       GLU  56  13.672 -10.025   9.268
  402    H    CYS  57           H        CYS  57  17.917  -8.212   7.622
  403    HA   CYS  57           HA       CYS  57  19.789 -10.034   6.624
  404   1HB   CYS  57          1HB       CYS  57  19.087  -9.418   4.426
  405   2HB   CYS  57          2HB       CYS  57  19.133  -7.709   4.813
  406    H    THR  58           H        THR  58  19.976  -9.236   9.024
  407    HA   THR  58           HA       THR  58  21.494  -6.712   9.091
  408    HB   THR  58           HB       THR  58  19.396  -6.723  10.433
  409    HG1  THR  58           HG1      THR  58  20.566  -6.168  12.395
  410   1HG2  THR  58          1HG2      THR  58  20.249  -9.421  11.079
  411   2HG2  THR  58          2HG2      THR  58  20.220  -8.457  12.575
  412   3HG2  THR  58          3HG2      THR  58  18.754  -8.592  11.575
  413    H    PHE  59           H        PHE  59  23.540  -6.630   9.961
  414    HA   PHE  59           HA       PHE  59  25.572  -7.438  10.310
  415   1HB   PHE  59          1HB       PHE  59  23.725  -8.260  12.358
  416   2HB   PHE  59          2HB       PHE  59  24.746  -9.656  12.074
  417    HD1  PHE  59           HD1      PHE  59  25.281  -5.959  12.331
  418    HD2  PHE  59           HD2      PHE  59  26.487  -9.839  13.556
  419    HE1  PHE  59           HE1      PHE  59  27.066  -4.948  13.777
  420    HE2  PHE  59           HE2      PHE  59  28.272  -8.827  15.003
  421    HZ   PHE  59           HZ       PHE  59  28.540  -6.394  15.096

  No H/Q in entry =         421
  Start of MODEL   19
    1    H    GLU   1           H        GLU   1   6.182 -16.757  16.600
    2    HA   GLU   1           HA       GLU   1   8.673 -16.090  15.378
    3   1HB   GLU   1          1HB       GLU   1   8.598 -18.574  16.566
    4   2HB   GLU   1          2HB       GLU   1   8.023 -18.965  14.958
    5   1HG   GLU   1          1HG       GLU   1  10.176 -17.230  14.465
    6   2HG   GLU   1          2HG       GLU   1  10.726 -18.170  15.837
    7    H    GLU   2           H        GLU   2   6.462 -14.855  14.684
    8    HA   GLU   2           HA       GLU   2   5.949 -15.866  12.086
    9   1HB   GLU   2          1HB       GLU   2   4.239 -16.893  13.955
   10   2HB   GLU   2          2HB       GLU   2   3.384 -15.416  13.554
   11   1HG   GLU   2          1HG       GLU   2   4.395 -16.763  11.141
   12   2HG   GLU   2          2HG       GLU   2   3.362 -17.822  12.081
   13    H    TYR   3           H        TYR   3   6.052 -14.062  10.826
   14    HA   TYR   3           HA       TYR   3   6.347 -11.539  11.604
   15   1HB   TYR   3          1HB       TYR   3   6.486 -12.134   9.261
   16   2HB   TYR   3          2HB       TYR   3   4.913 -12.906   9.279
   17    HD1  TYR   3           HD1      TYR   3   6.240  -9.465  10.033
   18    HD2  TYR   3           HD2      TYR   3   3.320 -11.835   7.993
   19    HE1  TYR   3           HE1      TYR   3   5.188  -7.358   9.076
   20    HE2  TYR   3           HE2      TYR   3   2.278  -9.719   7.042
   21    HH   TYR   3           HH       TYR   3   3.008  -7.430   6.527
   22    H    VAL   4           H        VAL   4   5.165  -9.784  12.319
   23    HA   VAL   4           HA       VAL   4   2.387  -9.575  12.038
   24    HB   VAL   4           HB       VAL   4   3.375 -11.084  14.353
   25   1HG1  VAL   4          1HG1      VAL   4   1.733  -8.596  14.726
   26   2HG1  VAL   4          2HG1      VAL   4   1.407 -10.021  15.742
   27   3HG1  VAL   4          3HG1      VAL   4   3.023  -9.275  15.748
   28   1HG2  VAL   4          1HG2      VAL   4   1.034 -10.944  12.578
   29   2HG2  VAL   4          2HG2      VAL   4   1.772 -12.340  13.401
   30   3HG2  VAL   4          3HG2      VAL   4   0.630 -11.292  14.276
   31    H    GLY   5           H        GLY   5   2.848  -7.462  11.414
   32   1HA   GLY   5          1HA       GLY   5   4.664  -5.734  12.552
   33   2HA   GLY   5          2HA       GLY   5   3.214  -5.575  13.522
   34    H    LEU   6           H        LEU   6   1.408  -4.473  12.716
   35    HA   LEU   6           HA       LEU   6   1.147  -3.972   9.919
   36   1HB   LEU   6          1HB       LEU   6  -0.467  -2.327  11.701
   37   2HB   LEU   6          2HB       LEU   6  -0.947  -3.427  10.423
   38    HG   LEU   6           HG       LEU   6  -0.367  -4.090  13.315
   39   1HD1  LEU   6          1HD1      LEU   6  -2.603  -3.150  12.704
   40   2HD1  LEU   6          2HD1      LEU   6  -2.859  -4.572  11.664
   41   3HD1  LEU   6          3HD1      LEU   6  -2.655  -4.778  13.420
   42   1HD2  LEU   6          1HD2      LEU   6   0.036  -5.771  11.016
   43   2HD2  LEU   6          2HD2      LEU   6   0.289  -6.128  12.741
   44   3HD2  LEU   6          3HD2      LEU   6  -1.306  -6.401  12.000
   45    H    SER   7           H        SER   7   0.924  -1.432  12.454
   46    HA   SER   7           HA       SER   7   1.535   0.682  12.280
   47   1HB   SER   7          1HB       SER   7   4.222   0.755  12.128
   48   2HB   SER   7          2HB       SER   7   3.383   0.196  13.562
   49    HG   SER   7           HG       SER   7   4.130  -1.615  11.441
   50    H    ALA   8           H        ALA   8   4.433  -0.030  10.386
   51    HA   ALA   8           HA       ALA   8   3.186   0.616   7.871
   52   1HB   ALA   8          1HB       ALA   8   4.865   2.574   9.436
   53   2HB   ALA   8          2HB       ALA   8   4.940   2.566   7.658
   54   3HB   ALA   8          3HB       ALA   8   3.390   2.860   8.482
   55    H    ASN   9           H        ASN   9   4.844  -1.493   9.402
   56    HA   ASN   9           HA       ASN   9   7.423  -1.462   8.457
   57   1HB   ASN   9          1HB       ASN   9   5.831  -3.180   9.993
   58   2HB   ASN   9          2HB       ASN   9   6.163  -4.155   8.575
   59   2HD2  ASN   9          2HD2      ASN   9   7.740  -2.013  10.930
   60   1HD2  ASN   9          1HD2      ASN   9   9.241  -2.870  11.043
   61    H    GLN  10           H        GLN  10   4.535  -3.343   7.242
   62    HA   GLN  10           HA       GLN  10   5.798  -4.232   4.944
   63   1HB   GLN  10          1HB       GLN  10   3.423  -4.696   4.160
   64   2HB   GLN  10          2HB       GLN  10   3.835  -5.376   5.721
   65   1HG   GLN  10          1HG       GLN  10   2.787  -2.639   5.982
   66   2HG   GLN  10          2HG       GLN  10   1.652  -3.683   5.150
   67   2HE2  GLN  10          2HE2      GLN  10   0.991  -5.656   6.141
   68   1HE2  GLN  10          1HE2      GLN  10   0.971  -5.833   7.864
   69    H    CYS  11           H        CYS  11   4.346  -1.147   5.789
   70    HA   CYS  11           HA       CYS  11   4.609  -0.335   2.985
   71   1HB   CYS  11          1HB       CYS  11   2.943   1.370   4.698
   72   2HB   CYS  11          2HB       CYS  11   2.697   0.831   3.049
   73    H    ALA  12           H        ALA  12   6.910  -0.442   4.497
   74    HA   ALA  12           HA       ALA  12   7.265   2.314   5.454
   75   1HB   ALA  12          1HB       ALA  12   9.437   0.655   6.240
   76   2HB   ALA  12          2HB       ALA  12   8.163   1.348   7.271
   77   3HB   ALA  12          3HB       ALA  12   7.948  -0.267   6.555
   78    H    VAL  13           H        VAL  13   7.184   1.907   2.687
   79    HA   VAL  13           HA       VAL  13   9.902   1.509   1.792
   80    HB   VAL  13           HB       VAL  13   7.844   2.540  -0.054
   81   1HG1  VAL  13          1HG1      VAL  13  10.125   0.657  -0.036
   82   2HG1  VAL  13          2HG1      VAL  13   8.758   0.181  -1.072
   83   3HG1  VAL  13          3HG1      VAL  13   9.550   1.757  -1.312
   84   1HG2  VAL  13          1HG2      VAL  13   7.406   0.088   1.615
   85   2HG2  VAL  13          2HG2      VAL  13   6.233   1.277   0.999
   86   3HG2  VAL  13          3HG2      VAL  13   6.924   0.059  -0.099
   87    HA   PRO  14           HA       PRO  14  10.918   5.711   1.863
   88   1HB   PRO  14          1HB       PRO  14  12.992   5.767   0.084
   89   2HB   PRO  14          2HB       PRO  14  13.168   5.239   1.746
   90   1HG   PRO  14          1HG       PRO  14  13.084   3.608  -0.718
   91   2HG   PRO  14          2HG       PRO  14  13.674   3.166   0.872
   92   1HD   PRO  14          1HD       PRO  14  11.177   2.391  -0.309
   93   2HD   PRO  14          2HD       PRO  14  11.717   2.046   1.322
   94    H    ALA  15           H        ALA  15   9.275   4.329  -0.561
   95    HA   ALA  15           HA       ALA  15   7.812   5.389  -1.923
   96   1HB   ALA  15          1HB       ALA  15   9.401   7.931  -2.046
   97   2HB   ALA  15          2HB       ALA  15   7.638   7.688  -2.038
   98   3HB   ALA  15          3HB       ALA  15   8.563   7.540  -0.525
   99    H    LYS  16           H        LYS  16  11.295   5.283  -2.153
  100    HA   LYS  16           HA       LYS  16  11.207   5.555  -5.049
  101   1HB   LYS  16          1HB       LYS  16  13.645   5.545  -4.905
  102   2HB   LYS  16          2HB       LYS  16  12.953   6.763  -3.853
  103   1HG   LYS  16          1HG       LYS  16  14.661   5.654  -2.566
  104   2HG   LYS  16          2HG       LYS  16  13.127   5.093  -1.930
  105   1HD   LYS  16          1HD       LYS  16  13.371   2.947  -2.826
  106   2HD   LYS  16          2HD       LYS  16  14.346   3.498  -4.173
  107   1HE   LYS  16          1HE       LYS  16  16.205   2.871  -3.035
  108   2HE   LYS  16          2HE       LYS  16  15.870   4.123  -1.855
  109   1HZ   LYS  16          1HZ       LYS  16  14.330   1.706  -1.588
  110   2HZ   LYS  16          2HZ       LYS  16  15.924   1.568  -1.263
  111   3HZ   LYS  16          3HZ       LYS  16  15.012   2.640  -0.435
  112    H    ASP  17           H        ASP  17  10.161   3.245  -3.124
  113    HA   ASP  17           HA       ASP  17  11.314   1.178  -4.812
  114   1HB   ASP  17          1HB       ASP  17  11.570   1.440  -1.945
  115   2HB   ASP  17          2HB       ASP  17  10.548   0.054  -2.266
  116    H    ARG  18           H        ARG  18   8.714   2.928  -4.485
  117    HA   ARG  18           HA       ARG  18   6.746   1.080  -3.674
  118   1HB   ARG  18          1HB       ARG  18   6.313   3.582  -5.369
  119   2HB   ARG  18          2HB       ARG  18   5.154   2.813  -4.304
  120   1HG   ARG  18          1HG       ARG  18   7.769   4.087  -3.370
  121   2HG   ARG  18          2HG       ARG  18   6.209   4.882  -3.314
  122   1HD   ARG  18          1HD       ARG  18   5.438   2.748  -1.957
  123   2HD   ARG  18          2HD       ARG  18   7.153   2.474  -1.722
  124    HE   ARG  18           HE       ARG  18   7.120   4.175  -0.135
  125   1HH1  ARG  18          1HH1      ARG  18   4.540   4.777  -2.452
  126   2HH1  ARG  18          2HH1      ARG  18   3.961   6.189  -1.633
  127   1HH2  ARG  18          1HH2      ARG  18   6.356   6.038   0.945
  128   2HH2  ARG  18          2HH2      ARG  18   5.001   6.911   0.312
  129    H    VAL  19           H        VAL  19   6.059  -0.647  -4.899
  130    HA   VAL  19           HA       VAL  19   6.696  -0.717  -7.701
  131    HB   VAL  19           HB       VAL  19   5.088  -2.720  -6.127
  132   1HG1  VAL  19          1HG1      VAL  19   6.663  -2.722  -8.681
  133   2HG1  VAL  19          2HG1      VAL  19   6.550  -4.223  -7.731
  134   3HG1  VAL  19          3HG1      VAL  19   5.070  -3.430  -8.322
  135   1HG2  VAL  19          1HG2      VAL  19   7.879  -1.919  -5.728
  136   2HG2  VAL  19          2HG2      VAL  19   6.819  -2.931  -4.717
  137   3HG2  VAL  19          3HG2      VAL  19   7.694  -3.653  -6.088
  138    H    ASP  20           H        ASP  20   4.220   0.634  -5.823
  139    HA   ASP  20           HA       ASP  20   2.261   1.445  -6.273
  140   1HB   ASP  20          1HB       ASP  20   3.114   2.569  -8.193
  141   2HB   ASP  20          2HB       ASP  20   3.317   1.078  -9.091
  142    H    CYS  21           H        CYS  21   0.416   0.249  -5.786
  143    HA   CYS  21           HA       CYS  21   0.164  -2.396  -6.872
  144   1HB   CYS  21          1HB       CYS  21  -0.462  -1.311  -4.463
  145   2HB   CYS  21          2HB       CYS  21  -2.030  -1.264  -5.245
  146    H    GLY  22           H        GLY  22  -0.833   0.855  -7.595
  147   1HA   GLY  22          1HA       GLY  22  -2.191   0.099  -9.952
  148   2HA   GLY  22          2HA       GLY  22  -2.105   1.700  -9.247
  149    H    TYR  23           H        TYR  23  -3.753   2.440  -7.794
  150    HA   TYR  23           HA       TYR  23  -6.206   0.867  -8.008
  151   1HB   TYR  23          1HB       TYR  23  -4.632   1.809  -5.579
  152   2HB   TYR  23          2HB       TYR  23  -6.379   1.881  -5.465
  153    HD1  TYR  23           HD1      TYR  23  -7.608  -0.386  -6.248
  154    HD2  TYR  23           HD2      TYR  23  -3.579  -0.119  -4.833
  155    HE1  TYR  23           HE1      TYR  23  -7.662  -2.846  -5.609
  156    HE2  TYR  23           HE2      TYR  23  -3.646  -2.580  -4.200
  157    HH   TYR  23           HH       TYR  23  -5.539  -4.221  -3.558
  158    HA   PRO  24           HA       PRO  24  -7.834   4.801  -8.796
  159   1HB   PRO  24          1HB       PRO  24 -10.504   4.297  -8.507
  160   2HB   PRO  24          2HB       PRO  24  -9.607   3.907  -9.961
  161   1HG   PRO  24          1HG       PRO  24 -10.576   2.092  -7.839
  162   2HG   PRO  24          2HG       PRO  24 -10.068   1.702  -9.470
  163   1HD   PRO  24          1HD       PRO  24  -8.563   1.298  -7.062
  164   2HD   PRO  24          2HD       PRO  24  -8.013   1.016  -8.701
  165    H    HIS  25           H        HIS  25 -10.064   3.612  -6.343
  166    HA   HIS  25           HA       HIS  25  -9.696   6.126  -4.971
  167   1HB   HIS  25          1HB       HIS  25 -11.618   5.491  -3.676
  168   2HB   HIS  25          2HB       HIS  25 -11.953   5.223  -5.375
  169    HD1  HIS  25           HD1      HIS  25 -13.752   3.713  -3.573
  170    HD2  HIS  25           HD2      HIS  25 -10.002   2.198  -4.685
  171    HE1  HIS  25           HE1      HIS  25 -13.872   1.187  -3.232
  172    HE2  HIS  25           HE2      HIS  25 -11.557   0.306  -3.984
  173    H    VAL  26           H        VAL  26  -7.497   5.881  -4.243
  174    HA   VAL  26           HA       VAL  26  -7.048   3.687  -2.373
  175    HB   VAL  26           HB       VAL  26  -4.698   4.477  -2.474
  176   1HG1  VAL  26          1HG1      VAL  26  -6.043   3.812  -5.114
  177   2HG1  VAL  26          2HG1      VAL  26  -4.289   3.731  -4.821
  178   3HG1  VAL  26          3HG1      VAL  26  -5.392   2.666  -3.917
  179   1HG2  VAL  26          1HG2      VAL  26  -5.689   6.854  -3.337
  180   2HG2  VAL  26          2HG2      VAL  26  -4.007   6.327  -3.582
  181   3HG2  VAL  26          3HG2      VAL  26  -5.202   6.126  -4.886
  182    H    THR  27           H        THR  27  -6.842   3.983  -0.174
  183    HA   THR  27           HA       THR  27  -6.545   6.668   0.866
  184    HB   THR  27           HB       THR  27  -8.678   6.827   1.859
  185    HG1  THR  27           HG1      THR  27  -9.850   4.835   2.308
  186   1HG2  THR  27          1HG2      THR  27  -9.135   5.069  -0.608
  187   2HG2  THR  27          2HG2      THR  27 -10.429   5.923   0.267
  188   3HG2  THR  27          3HG2      THR  27  -9.156   6.848  -0.565
  189    HA   PRO  28           HA       PRO  28  -4.689   4.587   4.132
  190   1HB   PRO  28          1HB       PRO  28  -5.401   5.967   6.381
  191   2HB   PRO  28          2HB       PRO  28  -4.174   6.526   5.261
  192   1HG   PRO  28          1HG       PRO  28  -6.942   7.501   5.617
  193   2HG   PRO  28          2HG       PRO  28  -5.591   8.295   4.833
  194   1HD   PRO  28          1HD       PRO  28  -7.799   6.994   3.545
  195   2HD   PRO  28          2HD       PRO  28  -6.391   7.686   2.765
  196    H    LYS  29           H        LYS  29  -7.031   3.306   3.248
  197    HA   LYS  29           HA       LYS  29  -7.326   1.473   5.311
  198   1HB   LYS  29          1HB       LYS  29  -8.581   3.579   6.228
  199   2HB   LYS  29          2HB       LYS  29  -9.842   3.111   5.105
  200   1HG   LYS  29          1HG       LYS  29  -8.624   1.158   7.106
  201   2HG   LYS  29          2HG       LYS  29 -10.021   2.145   7.486
  202   1HD   LYS  29          1HD       LYS  29 -10.937   1.137   5.167
  203   2HD   LYS  29          2HD       LYS  29  -9.783  -0.134   5.521
  204   1HE   LYS  29          1HE       LYS  29 -11.087  -0.998   7.181
  205   2HE   LYS  29          2HE       LYS  29 -11.340   0.575   7.911
  206   1HZ   LYS  29          1HZ       LYS  29 -12.718   0.313   5.452
  207   2HZ   LYS  29          2HZ       LYS  29 -13.169  -0.839   6.518
  208   3HZ   LYS  29          3HZ       LYS  29 -13.292   0.739   6.920
  209    H    GLU  30           H        GLU  30  -8.933   3.163   2.557
  210    HA   GLU  30           HA       GLU  30 -10.231   0.801   1.718
  211   1HB   GLU  30          1HB       GLU  30 -11.198   2.966   1.179
  212   2HB   GLU  30          2HB       GLU  30  -9.734   3.485   0.367
  213   1HG   GLU  30          1HG       GLU  30 -10.167   2.229  -1.538
  214   2HG   GLU  30          2HG       GLU  30 -10.967   0.947  -0.649
  215    H    CYS  31           H        CYS  31  -7.164   2.481   0.941
  216    HA   CYS  31           HA       CYS  31  -6.608   0.836  -1.305
  217   1HB   CYS  31          1HB       CYS  31  -5.540   2.850  -1.474
  218   2HB   CYS  31          2HB       CYS  31  -5.174   2.942   0.237
  219    H    ASN  32           H        ASN  32  -6.198   0.704   2.208
  220    HA   ASN  32           HA       ASN  32  -4.299  -1.450   1.976
  221   1HB   ASN  32          1HB       ASN  32  -5.579  -0.436   4.553
  222   2HB   ASN  32          2HB       ASN  32  -4.030  -1.235   4.368
  223   2HD2  ASN  32          2HD2      ASN  32  -2.381   0.043   4.625
  224   1HD2  ASN  32          1HD2      ASN  32  -2.253   1.710   4.172
  225    H    ASN  33           H        ASN  33  -7.599  -1.073   1.678
  226    HA   ASN  33           HA       ASN  33  -8.260  -3.424   3.235
  227   1HB   ASN  33          1HB       ASN  33  -9.820  -1.586   3.546
  228   2HB   ASN  33          2HB       ASN  33  -9.928  -1.290   1.822
  229   2HD2  ASN  33          2HD2      ASN  33 -11.498  -2.537   4.384
  230   1HD2  ASN  33          1HD2      ASN  33 -12.548  -3.689   3.629
  231    H    ARG  34           H        ARG  34  -8.347  -1.991  -0.089
  232    HA   ARG  34           HA       ARG  34  -9.636  -4.003  -1.381
  233   1HB   ARG  34          1HB       ARG  34  -8.506  -1.645  -2.141
  234   2HB   ARG  34          2HB       ARG  34  -7.285  -2.732  -2.771
  235   1HG   ARG  34          1HG       ARG  34 -10.272  -2.930  -3.384
  236   2HG   ARG  34          2HG       ARG  34  -9.081  -2.209  -4.449
  237   1HD   ARG  34          1HD       ARG  34  -7.834  -4.527  -4.242
  238   2HD   ARG  34          2HD       ARG  34  -9.372  -5.127  -3.654
  239    HE   ARG  34           HE       ARG  34  -9.887  -3.649  -6.033
  240   1HH1  ARG  34          1HH1      ARG  34  -8.250  -6.603  -5.046
  241   2HH1  ARG  34          2HH1      ARG  34  -8.495  -7.398  -6.566
  242   1HH2  ARG  34          1HH2      ARG  34 -10.211  -4.697  -8.038
  243   2HH2  ARG  34          2HH2      ARG  34  -9.618  -6.306  -8.279
  244    H    GLY  35           H        GLY  35  -6.286  -3.802  -0.192
  245   1HA   GLY  35          1HA       GLY  35  -5.732  -6.458  -1.375
  246   2HA   GLY  35          2HA       GLY  35  -5.376  -6.066   0.295
  247    H    CYS  36           H        CYS  36  -3.881  -4.136   0.695
  248    HA   CYS  36           HA       CYS  36  -1.480  -4.505  -0.488
  249   1HB   CYS  36          1HB       CYS  36  -3.148  -3.174  -2.336
  250   2HB   CYS  36          2HB       CYS  36  -2.044  -1.961  -1.719
  251    H    CYS  37           H        CYS  37  -0.553  -1.714  -0.531
  252    HA   CYS  37           HA       CYS  37  -1.227  -0.962   2.221
  253   1HB   CYS  37          1HB       CYS  37   1.395  -1.272   0.860
  254   2HB   CYS  37          2HB       CYS  37   1.224   0.109   1.925
  255    H    PHE  38           H        PHE  38  -1.188   1.401   2.627
  256    HA   PHE  38           HA       PHE  38  -1.547   2.919   0.138
  257   1HB   PHE  38          1HB       PHE  38  -3.653   2.601   1.414
  258   2HB   PHE  38          2HB       PHE  38  -2.856   3.025   2.916
  259    HD1  PHE  38           HD1      PHE  38  -4.038   4.383  -0.311
  260    HD2  PHE  38           HD2      PHE  38  -2.659   5.287   3.600
  261    HE1  PHE  38           HE1      PHE  38  -4.728   6.777  -0.620
  262    HE2  PHE  38           HE2      PHE  38  -3.349   7.680   3.290
  263    HZ   PHE  38           HZ       PHE  38  -4.375   8.396   1.184
  264    H    ASP  39           H        ASP  39  -1.359   5.430   0.672
  265    HA   ASP  39           HA       ASP  39   0.234   6.218   2.782
  266   1HB   ASP  39          1HB       ASP  39   2.068   4.992   1.772
  267   2HB   ASP  39          2HB       ASP  39   1.691   5.612   0.176
  268    H    SER  40           H        SER  40   0.379   8.555   2.744
  269    HA   SER  40           HA       SER  40  -0.468   9.790   0.251
  270   1HB   SER  40          1HB       SER  40  -1.968  11.308   1.479
  271   2HB   SER  40          2HB       SER  40  -2.444   9.641   1.733
  272    HG   SER  40           HG       SER  40  -0.994  11.358   3.553
  273    H    ARG  41           H        ARG  41   2.097   9.365   2.013
  274    HA   ARG  41           HA       ARG  41   2.782  11.750   3.165
  275   1HB   ARG  41          1HB       ARG  41   3.983   9.324   2.936
  276   2HB   ARG  41          2HB       ARG  41   4.915  10.181   1.725
  277   1HG   ARG  41          1HG       ARG  41   5.162  12.040   3.593
  278   2HG   ARG  41          2HG       ARG  41   4.698  10.758   4.694
  279   1HD   ARG  41          1HD       ARG  41   6.574   9.333   3.766
  280   2HD   ARG  41          2HD       ARG  41   7.063  10.680   2.758
  281    HE   ARG  41           HE       ARG  41   7.439  10.438   5.662
  282   1HH1  ARG  41          1HH1      ARG  41   7.346  12.640   2.919
  283   2HH1  ARG  41          2HH1      ARG  41   8.291  13.861   3.704
  284   1HH2  ARG  41          1HH2      ARG  41   8.686  12.049   6.698
  285   2HH2  ARG  41          2HH2      ARG  41   9.059  13.522   5.868
  286    H    ILE  42           H        ILE  42   3.420  10.510  -0.192
  287    HA   ILE  42           HA       ILE  42   3.515  13.269  -1.103
  288    HB   ILE  42           HB       ILE  42   5.570  12.181  -2.536
  289   1HG1  ILE  42          1HG1      ILE  42   7.148  11.234  -0.877
  290   2HG1  ILE  42          2HG1      ILE  42   5.872  11.215   0.324
  291   1HG2  ILE  42          1HG2      ILE  42   5.184  14.436  -1.240
  292   2HG2  ILE  42          2HG2      ILE  42   6.185  13.646   0.003
  293   3HG2  ILE  42          3HG2      ILE  42   6.827  13.880  -1.641
  294   1HD1  ILE  42          1HD1      ILE  42   5.073   9.942  -2.226
  295   2HD1  ILE  42          2HD1      ILE  42   6.448   9.141  -1.427
  296   3HD1  ILE  42          3HD1      ILE  42   4.908   9.345  -0.557
  297    HA   PRO  43           HA       PRO  43   1.183  11.371  -4.217
  298   1HB   PRO  43          1HB       PRO  43   0.946  13.484  -5.935
  299   2HB   PRO  43          2HB       PRO  43  -0.073  13.277  -4.524
  300   1HG   PRO  43          1HG       PRO  43   2.178  15.151  -4.925
  301   2HG   PRO  43          2HG       PRO  43   0.900  15.210  -3.727
  302   1HD   PRO  43          1HD       PRO  43   3.614  14.383  -3.303
  303   2HD   PRO  43          2HD       PRO  43   2.308  14.332  -2.135
  304    H    GLY  44           H        GLY  44   4.103  13.084  -5.081
  305   1HA   GLY  44          1HA       GLY  44   5.803  12.346  -6.394
  306   2HA   GLY  44          2HA       GLY  44   4.559  12.415  -7.626
  307    H    VAL  45           H        VAL  45   4.850  10.163  -4.803
  308    HA   VAL  45           HA       VAL  45   5.466   7.995  -6.643
  309    HB   VAL  45           HB       VAL  45   6.317   6.881  -4.850
  310   1HG1  VAL  45          1HG1      VAL  45   7.137   9.435  -5.088
  311   2HG1  VAL  45          2HG1      VAL  45   6.591   9.462  -3.394
  312   3HG1  VAL  45          3HG1      VAL  45   7.832   8.295  -3.910
  313   1HG2  VAL  45          1HG2      VAL  45   4.334   8.369  -3.104
  314   2HG2  VAL  45          2HG2      VAL  45   4.341   6.639  -3.523
  315   3HG2  VAL  45          3HG2      VAL  45   5.609   7.303  -2.465
  316    HA   PRO  46           HA       PRO  46   1.517   6.246  -6.434
  317   1HB   PRO  46          1HB       PRO  46   1.936   3.559  -6.167
  318   2HB   PRO  46          2HB       PRO  46   2.114   4.410  -7.689
  319   1HG   PRO  46          1HG       PRO  46   4.217   3.386  -5.881
  320   2HG   PRO  46          2HG       PRO  46   4.346   3.845  -7.568
  321   1HD   PRO  46          1HD       PRO  46   5.226   5.368  -5.302
  322   2HD   PRO  46          2HD       PRO  46   5.250   5.876  -6.979
  323    H    TRP  47           H        TRP  47   0.640   7.303  -4.642
  324    HA   TRP  47           HA       TRP  47   0.992   6.930  -2.084
  325   1HB   TRP  47          1HB       TRP  47  -1.513   7.189  -3.677
  326   2HB   TRP  47          2HB       TRP  47  -1.665   6.837  -1.967
  327    HD1  TRP  47           HD1      TRP  47   1.211   9.127  -3.079
  328    HE1  TRP  47           HE1      TRP  47   0.844  11.607  -2.254
  329    HE3  TRP  47           HE3      TRP  47  -3.538   8.424  -1.403
  330    HZ2  TRP  47           HZ2      TRP  47  -1.342  12.966  -1.021
  331    HZ3  TRP  47           HZ3      TRP  47  -4.718  10.379  -0.402
  332    HH2  TRP  47           HH2      TRP  47  -3.696  12.590  -0.198
  333    H    CYS  48           H        CYS  48  -1.066   4.662  -4.057
  334    HA   CYS  48           HA       CYS  48  -0.908   2.737  -1.905
  335   1HB   CYS  48          1HB       CYS  48  -2.995   3.338  -3.339
  336   2HB   CYS  48          2HB       CYS  48  -2.281   2.278  -4.538
  337    H    PHE  49           H        PHE  49   0.778   1.293  -1.855
  338    HA   PHE  49           HA       PHE  49   1.790   0.325  -4.415
  339   1HB   PHE  49          1HB       PHE  49   4.123   0.554  -3.262
  340   2HB   PHE  49          2HB       PHE  49   3.384   2.050  -3.796
  341    HD1  PHE  49           HD1      PHE  49   3.731  -0.115  -0.788
  342    HD2  PHE  49           HD2      PHE  49   3.094   3.802  -2.291
  343    HE1  PHE  49           HE1      PHE  49   3.918   0.808   1.539
  344    HE2  PHE  49           HE2      PHE  49   3.281   4.725   0.036
  345    HZ   PHE  49           HZ       PHE  49   3.691   3.217   1.923
  346    H    LYS  50           H        LYS  50   3.250  -1.653  -4.075
  347    HA   LYS  50           HA       LYS  50   1.864  -3.483  -2.439
  348   1HB   LYS  50          1HB       LYS  50   4.368  -3.624  -4.119
  349   2HB   LYS  50          2HB       LYS  50   3.842  -4.984  -3.147
  350   1HG   LYS  50          1HG       LYS  50   1.494  -4.118  -4.465
  351   2HG   LYS  50          2HG       LYS  50   2.748  -3.979  -5.681
  352   1HD   LYS  50          1HD       LYS  50   3.200  -6.460  -4.313
  353   2HD   LYS  50          2HD       LYS  50   1.482  -6.378  -4.649
  354   1HE   LYS  50          1HE       LYS  50   2.611  -5.461  -7.039
  355   2HE   LYS  50          2HE       LYS  50   3.751  -6.690  -6.527
  356   1HZ   LYS  50          1HZ       LYS  50   1.484  -7.938  -6.080
  357   2HZ   LYS  50          2HZ       LYS  50   0.999  -6.980  -7.311
  358   3HZ   LYS  50          3HZ       LYS  50   2.256  -8.002  -7.518
  359    HA   PRO  51           HA       PRO  51   4.126  -3.303   1.232
  360   1HB   PRO  51          1HB       PRO  51   4.232  -5.901   2.073
  361   2HB   PRO  51          2HB       PRO  51   2.810  -4.893   2.253
  362   1HG   PRO  51          1HG       PRO  51   3.299  -7.081   0.327
  363   2HG   PRO  51          2HG       PRO  51   1.775  -6.361   0.806
  364   1HD   PRO  51          1HD       PRO  51   3.200  -5.894  -1.639
  365   2HD   PRO  51          2HD       PRO  51   1.738  -5.088  -1.108
  366    H    LEU  52           H        LEU  52   6.154  -2.682   1.582
  367    HA   LEU  52           HA       LEU  52   8.230  -3.170   0.044
  368   1HB   LEU  52          1HB       LEU  52   8.420  -1.698   1.876
  369   2HB   LEU  52          2HB       LEU  52   8.121  -2.969   3.044
  370    HG   LEU  52           HG       LEU  52  10.586  -2.827   1.288
  371   1HD1  LEU  52          1HD1      LEU  52  10.030  -1.028   3.237
  372   2HD1  LEU  52          2HD1      LEU  52  10.839  -2.299   4.185
  373   3HD1  LEU  52          3HD1      LEU  52  11.671  -1.558   2.797
  374   1HD2  LEU  52          1HD2      LEU  52   9.514  -4.841   3.098
  375   2HD2  LEU  52          2HD2      LEU  52  10.847  -4.944   1.923
  376   3HD2  LEU  52          3HD2      LEU  52  11.151  -4.318   3.562
  377    H    GLN  53           H        GLN  53   9.744  -4.753  -0.445
  378    HA   GLN  53           HA       GLN  53   8.920  -7.367  -0.162
  379   1HB   GLN  53          1HB       GLN  53  11.292  -5.933  -1.211
  380   2HB   GLN  53          2HB       GLN  53  11.644  -7.562  -0.668
  381   1HG   GLN  53          1HG       GLN  53  10.864  -8.247  -2.694
  382   2HG   GLN  53          2HG       GLN  53   9.262  -7.927  -2.059
  383   2HE2  GLN  53          2HE2      GLN  53   8.861  -5.377  -2.004
  384   1HE2  GLN  53          1HE2      GLN  53   9.070  -4.592  -3.534
  385    H    GLU  54           H        GLU  54   8.464  -7.689   2.121
  386    HA   GLU  54           HA       GLU  54  10.175  -7.212   4.161
  387   1HB   GLU  54          1HB       GLU  54   8.791  -8.601   5.457
  388   2HB   GLU  54          2HB       GLU  54   7.735  -8.138   4.138
  389   1HG   GLU  54          1HG       GLU  54   8.556 -10.304   2.945
  390   2HG   GLU  54          2HG       GLU  54   9.217 -10.773   4.499
  391    H    ALA  55           H        ALA  55  12.241  -7.861   4.561
  392    HA   ALA  55           HA       ALA  55  12.933 -10.632   4.044
  393   1HB   ALA  55          1HB       ALA  55  15.115  -9.700   2.950
  394   2HB   ALA  55          2HB       ALA  55  13.637  -9.806   1.963
  395   3HB   ALA  55          3HB       ALA  55  14.143  -8.241   2.644
  396    H    GLU  56           H        GLU  56  14.793 -11.320   5.290
  397    HA   GLU  56           HA       GLU  56  14.947  -9.954   7.735
  398   1HB   GLU  56          1HB       GLU  56  16.297 -12.375   6.532
  399   2HB   GLU  56          2HB       GLU  56  16.915 -11.716   8.034
  400   1HG   GLU  56          1HG       GLU  56  14.359 -11.761   8.777
  401   2HG   GLU  56          2HG       GLU  56  14.193 -12.922   7.475
  402    H    CYS  57           H        CYS  57  15.821  -7.875   7.577
  403    HA   CYS  57           HA       CYS  57  18.662  -7.819   7.015
  404   1HB   CYS  57          1HB       CYS  57  16.779  -6.895   5.117
  405   2HB   CYS  57          2HB       CYS  57  17.480  -5.467   5.853
  406    H    THR  58           H        THR  58  15.745  -5.736   7.691
  407    HA   THR  58           HA       THR  58  15.438  -4.079   9.160
  408    HB   THR  58           HB       THR  58  16.860  -6.219  10.818
  409    HG1  THR  58           HG1      THR  58  14.797  -6.798   9.938
  410   1HG2  THR  58          1HG2      THR  58  16.678  -3.718  11.800
  411   2HG2  THR  58          2HG2      THR  58  14.969  -4.175  11.996
  412   3HG2  THR  58          3HG2      THR  58  16.241  -5.123  12.802
  413    H    PHE  59           H        PHE  59  16.842  -2.683   7.813
  414    HA   PHE  59           HA       PHE  59  18.520  -1.270   7.531
  415   1HB   PHE  59          1HB       PHE  59  17.364  -0.935  10.027
  416   2HB   PHE  59          2HB       PHE  59  19.027  -1.202  10.509
  417    HD1  PHE  59           HD1      PHE  59  20.815   0.278   9.318
  418    HD2  PHE  59           HD2      PHE  59  16.675   1.202   9.433
  419    HE1  PHE  59           HE1      PHE  59  21.340   2.686   8.846
  420    HE2  PHE  59           HE2      PHE  59  17.200   3.611   8.961
  421    HZ   PHE  59           HZ       PHE  59  19.526   4.324   8.673

  No H/Q in entry =         421
  Start of MODEL   20
    1    H    GLU   1           H        GLU   1   2.611  -8.654  19.213
    2    HA   GLU   1           HA       GLU   1   4.907  -8.607  20.700
    3   1HB   GLU   1          1HB       GLU   1   2.665 -10.224  20.518
    4   2HB   GLU   1          2HB       GLU   1   3.927 -11.318  19.987
    5   1HG   GLU   1          1HG       GLU   1   5.115 -10.080  22.184
    6   2HG   GLU   1          2HG       GLU   1   3.436 -10.173  22.679
    7    H    GLU   2           H        GLU   2   6.888  -8.290  19.696
    8    HA   GLU   2           HA       GLU   2   8.521  -8.542  18.247
    9   1HB   GLU   2          1HB       GLU   2   9.463 -10.898  18.223
   10   2HB   GLU   2          2HB       GLU   2   9.131 -10.257  19.819
   11   1HG   GLU   2          1HG       GLU   2   6.995 -11.489  19.922
   12   2HG   GLU   2          2HG       GLU   2   7.196 -12.043  18.271
   13    H    TYR   3           H        TYR   3   5.988  -8.313  16.898
   14    HA   TYR   3           HA       TYR   3   6.746  -9.352  14.359
   15   1HB   TYR   3          1HB       TYR   3   5.338 -11.089  16.016
   16   2HB   TYR   3          2HB       TYR   3   4.001 -10.227  15.280
   17    HD1  TYR   3           HD1      TYR   3   7.175 -11.967  14.276
   18    HD2  TYR   3           HD2      TYR   3   3.109 -11.059  13.302
   19    HE1  TYR   3           HE1      TYR   3   7.321 -13.471  12.232
   20    HE2  TYR   3           HE2      TYR   3   3.269 -12.567  11.261
   21    HH   TYR   3           HH       TYR   3   6.154 -13.601  10.008
   22    H    VAL   4           H        VAL   4   5.241  -8.611  12.625
   23    HA   VAL   4           HA       VAL   4   3.818  -6.211  13.537
   24    HB   VAL   4           HB       VAL   4   4.269  -5.271  11.395
   25   1HG1  VAL   4          1HG1      VAL   4   6.186  -5.728  13.262
   26   2HG1  VAL   4          2HG1      VAL   4   6.952  -6.458  11.831
   27   3HG1  VAL   4          3HG1      VAL   4   6.439  -4.754  11.794
   28   1HG2  VAL   4          1HG2      VAL   4   4.513  -8.005  10.564
   29   2HG2  VAL   4          2HG2      VAL   4   4.433  -6.533   9.566
   30   3HG2  VAL   4          3HG2      VAL   4   6.008  -7.138  10.135
   31    H    GLY   5           H        GLY   5   2.745  -6.238  10.592
   32   1HA   GLY   5          1HA       GLY   5   0.577  -8.185  11.115
   33   2HA   GLY   5          2HA       GLY   5   1.245  -7.889   9.523
   34    H    LEU   6           H        LEU   6   1.440  -4.920  11.022
   35    HA   LEU   6           HA       LEU   6  -1.263  -4.187  10.129
   36   1HB   LEU   6          1HB       LEU   6  -1.145  -2.351  11.756
   37   2HB   LEU   6          2HB       LEU   6  -1.135  -3.943  12.488
   38    HG   LEU   6           HG       LEU   6   1.582  -3.076  12.078
   39   1HD1  LEU   6          1HD1      LEU   6  -0.299  -0.991  12.992
   40   2HD1  LEU   6          2HD1      LEU   6   1.141  -1.225  14.013
   41   3HD1  LEU   6          3HD1      LEU   6   1.328  -0.851  12.282
   42   1HD2  LEU   6          1HD2      LEU   6   0.733  -4.785  13.685
   43   2HD2  LEU   6          2HD2      LEU   6   1.804  -3.565  14.414
   44   3HD2  LEU   6          3HD2      LEU   6   0.044  -3.463  14.657
   45    H    SER   7           H        SER   7  -1.456  -2.036   9.118
   46    HA   SER   7           HA       SER   7   0.388  -1.707   7.128
   47   1HB   SER   7          1HB       SER   7  -0.776   0.401   6.637
   48   2HB   SER   7          2HB       SER   7  -1.935  -0.842   7.061
   49    HG   SER   7           HG       SER   7  -2.449   1.116   8.160
   50    H    ALA   8           H        ALA   8   2.494  -1.029   7.241
   51    HA   ALA   8           HA       ALA   8   3.387   1.349   8.088
   52   1HB   ALA   8          1HB       ALA   8   2.950  -0.497  10.401
   53   2HB   ALA   8          2HB       ALA   8   2.878   1.280  10.328
   54   3HB   ALA   8          3HB       ALA   8   4.454   0.455  10.390
   55    H    ASN   9           H        ASN   9   4.866  -1.533   9.601
   56    HA   ASN   9           HA       ASN   9   7.282  -1.239   8.512
   57   1HB   ASN   9          1HB       ASN   9   6.134  -3.103  10.137
   58   2HB   ASN   9          2HB       ASN   9   6.260  -4.072   8.682
   59   2HD2  ASN   9          2HD2      ASN   9   8.062  -2.018  10.920
   60   1HD2  ASN   9          1HD2      ASN   9   9.616  -2.755  10.713
   61    H    GLN  10           H        GLN  10   4.555  -3.293   7.234
   62    HA   GLN  10           HA       GLN  10   5.927  -4.124   4.966
   63   1HB   GLN  10          1HB       GLN  10   3.613  -4.735   4.134
   64   2HB   GLN  10          2HB       GLN  10   4.009  -5.372   5.717
   65   1HG   GLN  10          1HG       GLN  10   2.898  -2.864   6.305
   66   2HG   GLN  10          2HG       GLN  10   1.934  -3.414   4.949
   67   2HE2  GLN  10          2HE2      GLN  10   3.455  -4.800   7.862
   68   1HE2  GLN  10          1HE2      GLN  10   2.092  -5.721   8.404
   69    H    CYS  11           H        CYS  11   4.151  -1.172   5.768
   70    HA   CYS  11           HA       CYS  11   4.415  -0.329   2.975
   71   1HB   CYS  11          1HB       CYS  11   2.704   1.199   4.869
   72   2HB   CYS  11          2HB       CYS  11   2.529   0.943   3.144
   73    H    ALA  12           H        ALA  12   6.740  -0.377   4.512
   74    HA   ALA  12           HA       ALA  12   7.046   2.429   5.338
   75   1HB   ALA  12          1HB       ALA  12   9.000   0.319   6.168
   76   2HB   ALA  12          2HB       ALA  12   7.391   0.289   6.927
   77   3HB   ALA  12          3HB       ALA  12   8.409   1.742   7.058
   78    H    VAL  13           H        VAL  13   7.056   2.033   2.636
   79    HA   VAL  13           HA       VAL  13   9.796   1.521   1.827
   80    HB   VAL  13           HB       VAL  13   7.800   2.465  -0.129
   81   1HG1  VAL  13          1HG1      VAL  13  10.084   0.610   0.048
   82   2HG1  VAL  13          2HG1      VAL  13   8.740   0.026  -0.962
   83   3HG1  VAL  13          3HG1      VAL  13   9.504   1.594  -1.317
   84   1HG2  VAL  13          1HG2      VAL  13   7.345   0.001   1.554
   85   2HG2  VAL  13          2HG2      VAL  13   6.190   1.270   1.080
   86   3HG2  VAL  13          3HG2      VAL  13   6.765   0.095  -0.126
   87    HA   PRO  14           HA       PRO  14  10.826   5.717   1.703
   88   1HB   PRO  14          1HB       PRO  14  12.905   5.695  -0.070
   89   2HB   PRO  14          2HB       PRO  14  13.075   5.235   1.612
   90   1HG   PRO  14          1HG       PRO  14  12.994   3.505  -0.784
   91   2HG   PRO  14          2HG       PRO  14  13.577   3.126   0.825
   92   1HD   PRO  14          1HD       PRO  14  11.082   2.310  -0.332
   93   2HD   PRO  14          2HD       PRO  14  11.616   2.031   1.314
   94    H    ALA  15           H        ALA  15   9.159   4.256  -0.644
   95    HA   ALA  15           HA       ALA  15   7.719   5.247  -2.069
   96   1HB   ALA  15          1HB       ALA  15   9.255   7.802  -2.310
   97   2HB   ALA  15          2HB       ALA  15   7.499   7.528  -2.209
   98   3HB   ALA  15          3HB       ALA  15   8.497   7.458  -0.737
   99    H    LYS  16           H        LYS  16  11.199   5.142  -2.268
  100    HA   LYS  16           HA       LYS  16  11.150   5.355  -5.167
  101   1HB   LYS  16          1HB       LYS  16  13.599   5.271  -4.973
  102   2HB   LYS  16          2HB       LYS  16  12.903   6.559  -4.010
  103   1HG   LYS  16          1HG       LYS  16  14.603   5.414  -2.677
  104   2HG   LYS  16          2HG       LYS  16  13.030   5.093  -1.976
  105   1HD   LYS  16          1HD       LYS  16  13.007   2.854  -2.683
  106   2HD   LYS  16          2HD       LYS  16  14.072   3.157  -4.041
  107   1HE   LYS  16          1HE       LYS  16  15.993   2.936  -2.771
  108   2HE   LYS  16          2HE       LYS  16  15.274   3.673  -1.353
  109   1HZ   LYS  16          1HZ       LYS  16  13.881   1.392  -1.643
  110   2HZ   LYS  16          2HZ       LYS  16  15.384   0.932  -2.085
  111   3HZ   LYS  16          3HZ       LYS  16  15.135   1.606  -0.618
  112    H    ASP  17           H        ASP  17  10.148   3.075  -3.108
  113    HA   ASP  17           HA       ASP  17  11.239   0.970  -4.798
  114   1HB   ASP  17          1HB       ASP  17  11.509   1.287  -1.936
  115   2HB   ASP  17          2HB       ASP  17  10.476  -0.099  -2.228
  116    H    ARG  18           H        ARG  18   8.676   2.717  -4.626
  117    HA   ARG  18           HA       ARG  18   6.669   0.976  -3.687
  118   1HB   ARG  18          1HB       ARG  18   6.272   3.305  -5.617
  119   2HB   ARG  18          2HB       ARG  18   5.116   2.671  -4.462
  120   1HG   ARG  18          1HG       ARG  18   7.776   3.781  -3.507
  121   2HG   ARG  18          2HG       ARG  18   6.449   4.866  -3.873
  122   1HD   ARG  18          1HD       ARG  18   5.190   2.926  -2.319
  123   2HD   ARG  18          2HD       ARG  18   6.780   2.998  -1.587
  124    HE   ARG  18           HE       ARG  18   5.523   5.620  -2.105
  125   1HH1  ARG  18          1HH1      ARG  18   6.095   3.037   0.216
  126   2HH1  ARG  18          2HH1      ARG  18   5.768   4.032   1.596
  127   1HH2  ARG  18          1HH2      ARG  18   5.091   6.932  -0.285
  128   2HH2  ARG  18          2HH2      ARG  18   5.193   6.262   1.309
  129    H    VAL  19           H        VAL  19   5.625  -0.667  -4.800
  130    HA   VAL  19           HA       VAL  19   6.433  -1.095  -7.553
  131    HB   VAL  19           HB       VAL  19   4.858  -2.773  -5.590
  132   1HG1  VAL  19          1HG1      VAL  19   5.812  -3.337  -8.408
  133   2HG1  VAL  19          2HG1      VAL  19   5.403  -4.626  -7.250
  134   3HG1  VAL  19          3HG1      VAL  19   4.161  -3.455  -7.752
  135   1HG2  VAL  19          1HG2      VAL  19   7.316  -2.313  -5.097
  136   2HG2  VAL  19          2HG2      VAL  19   6.840  -4.024  -5.223
  137   3HG2  VAL  19          3HG2      VAL  19   7.684  -3.232  -6.576
  138    H    ASP  20           H        ASP  20   4.117   0.721  -5.995
  139    HA   ASP  20           HA       ASP  20   2.066   1.363  -6.431
  140   1HB   ASP  20          1HB       ASP  20   3.129   2.685  -8.107
  141   2HB   ASP  20          2HB       ASP  20   3.429   1.301  -9.139
  142    H    CYS  21           H        CYS  21   0.764  -0.499  -5.851
  143    HA   CYS  21           HA       CYS  21   0.465  -2.711  -7.542
  144   1HB   CYS  21          1HB       CYS  21  -1.802  -2.708  -6.002
  145   2HB   CYS  21          2HB       CYS  21  -0.266  -3.440  -5.582
  146    H    GLY  22           H        GLY  22  -0.668   0.546  -7.680
  147   1HA   GLY  22          1HA       GLY  22  -2.157   0.081 -10.057
  148   2HA   GLY  22          2HA       GLY  22  -1.979   1.592  -9.187
  149    H    TYR  23           H        TYR  23  -3.641   2.342  -7.870
  150    HA   TYR  23           HA       TYR  23  -6.048   0.687  -7.870
  151   1HB   TYR  23          1HB       TYR  23  -4.405   1.826  -5.566
  152   2HB   TYR  23          2HB       TYR  23  -6.146   1.776  -5.373
  153    HD1  TYR  23           HD1      TYR  23  -7.318  -0.512  -5.675
  154    HD2  TYR  23           HD2      TYR  23  -3.097  -0.080  -5.120
  155    HE1  TYR  23           HE1      TYR  23  -7.159  -2.939  -4.935
  156    HE2  TYR  23           HE2      TYR  23  -2.953  -2.509  -4.383
  157    HH   TYR  23           HH       TYR  23  -5.750  -4.625  -4.593
  158    HA   PRO  24           HA       PRO  24  -7.825   4.535  -8.761
  159   1HB   PRO  24          1HB       PRO  24 -10.464   3.959  -8.346
  160   2HB   PRO  24          2HB       PRO  24  -9.611   3.539  -9.818
  161   1HG   PRO  24          1HG       PRO  24 -10.437   1.782  -7.589
  162   2HG   PRO  24          2HG       PRO  24  -9.980   1.341  -9.222
  163   1HD   PRO  24          1HD       PRO  24  -8.371   1.084  -6.862
  164   2HD   PRO  24          2HD       PRO  24  -7.875   0.753  -8.509
  165    H    HIS  25           H        HIS  25 -10.144   3.571  -6.336
  166    HA   HIS  25           HA       HIS  25  -9.681   6.076  -5.022
  167   1HB   HIS  25          1HB       HIS  25 -11.617   5.558  -3.736
  168   2HB   HIS  25          2HB       HIS  25 -11.946   5.114  -5.399
  169    HD1  HIS  25           HD1      HIS  25 -13.584   3.857  -3.103
  170    HD2  HIS  25           HD2      HIS  25 -10.139   2.118  -4.747
  171    HE1  HIS  25           HE1      HIS  25 -13.733   1.360  -2.599
  172    HE2  HIS  25           HE2      HIS  25 -11.617   0.337  -3.681
  173    H    VAL  26           H        VAL  26  -7.458   5.800  -4.333
  174    HA   VAL  26           HA       VAL  26  -6.992   3.676  -2.404
  175    HB   VAL  26           HB       VAL  26  -4.663   4.541  -2.490
  176   1HG1  VAL  26          1HG1      VAL  26  -6.026   3.730  -5.073
  177   2HG1  VAL  26          2HG1      VAL  26  -4.258   3.838  -4.894
  178   3HG1  VAL  26          3HG1      VAL  26  -5.185   2.691  -3.897
  179   1HG2  VAL  26          1HG2      VAL  26  -5.402   6.899  -3.148
  180   2HG2  VAL  26          2HG2      VAL  26  -3.980   6.238  -3.990
  181   3HG2  VAL  26          3HG2      VAL  26  -5.562   6.270  -4.805
  182    H    THR  27           H        THR  27  -6.720   3.998  -0.203
  183    HA   THR  27           HA       THR  27  -6.543   6.694   0.821
  184    HB   THR  27           HB       THR  27  -8.672   6.758   1.858
  185    HG1  THR  27           HG1      THR  27  -9.856   4.613   1.977
  186   1HG2  THR  27          1HG2      THR  27  -9.107   5.060  -0.656
  187   2HG2  THR  27          2HG2      THR  27 -10.396   5.909   0.231
  188   3HG2  THR  27          3HG2      THR  27  -9.116   6.838  -0.586
  189    HA   PRO  28           HA       PRO  28  -4.586   4.692   4.076
  190   1HB   PRO  28          1HB       PRO  28  -5.286   6.100   6.311
  191   2HB   PRO  28          2HB       PRO  28  -4.087   6.660   5.163
  192   1HG   PRO  28          1HG       PRO  28  -6.865   7.595   5.545
  193   2HG   PRO  28          2HG       PRO  28  -5.540   8.397   4.726
  194   1HD   PRO  28          1HD       PRO  28  -7.745   7.036   3.496
  195   2HD   PRO  28          2HD       PRO  28  -6.361   7.738   2.682
  196    H    LYS  29           H        LYS  29  -6.927   3.363   3.252
  197    HA   LYS  29           HA       LYS  29  -7.154   1.553   5.339
  198   1HB   LYS  29          1HB       LYS  29  -8.412   3.659   6.261
  199   2HB   LYS  29          2HB       LYS  29  -9.697   3.151   5.184
  200   1HG   LYS  29          1HG       LYS  29  -8.593   0.884   6.708
  201   2HG   LYS  29          2HG       LYS  29  -9.188   2.148   7.766
  202   1HD   LYS  29          1HD       LYS  29 -10.847   1.129   5.425
  203   2HD   LYS  29          2HD       LYS  29 -10.879   0.327   6.983
  204   1HE   LYS  29          1HE       LYS  29 -12.458   1.828   7.626
  205   2HE   LYS  29          2HE       LYS  29 -11.199   3.047   7.638
  206   1HZ   LYS  29          1HZ       LYS  29 -11.680   3.236   5.180
  207   2HZ   LYS  29          2HZ       LYS  29 -13.056   2.407   5.474
  208   3HZ   LYS  29          3HZ       LYS  29 -12.800   3.847   6.201
  209    H    GLU  30           H        GLU  30  -8.766   3.194   2.571
  210    HA   GLU  30           HA       GLU  30 -10.095   0.816   1.799
  211   1HB   GLU  30          1HB       GLU  30 -10.961   3.107   1.303
  212   2HB   GLU  30          2HB       GLU  30  -9.596   3.392   0.241
  213   1HG   GLU  30          1HG       GLU  30 -10.600   2.286  -1.469
  214   2HG   GLU  30          2HG       GLU  30 -10.865   0.869  -0.473
  215    H    CYS  31           H        CYS  31  -7.068   2.527   0.907
  216    HA   CYS  31           HA       CYS  31  -6.536   0.858  -1.317
  217   1HB   CYS  31          1HB       CYS  31  -5.464   2.862  -1.520
  218   2HB   CYS  31          2HB       CYS  31  -5.090   2.978   0.188
  219    H    ASN  32           H        ASN  32  -6.043   0.754   2.192
  220    HA   ASN  32           HA       ASN  32  -4.130  -1.374   1.957
  221   1HB   ASN  32          1HB       ASN  32  -5.477  -0.434   4.527
  222   2HB   ASN  32          2HB       ASN  32  -3.903  -1.184   4.355
  223   2HD2  ASN  32          2HD2      ASN  32  -2.294   0.137   4.647
  224   1HD2  ASN  32          1HD2      ASN  32  -2.211   1.815   4.224
  225    H    ASN  33           H        ASN  33  -7.473  -1.023   1.721
  226    HA   ASN  33           HA       ASN  33  -8.054  -3.464   3.166
  227   1HB   ASN  33          1HB       ASN  33  -9.609  -1.598   3.558
  228   2HB   ASN  33          2HB       ASN  33  -9.832  -1.356   1.837
  229   2HD2  ASN  33          2HD2      ASN  33 -11.334  -2.460   0.765
  230   1HD2  ASN  33          1HD2      ASN  33 -12.342  -3.708   1.419
  231    H    ARG  34           H        ARG  34  -8.176  -1.885  -0.083
  232    HA   ARG  34           HA       ARG  34  -9.481  -3.837  -1.455
  233   1HB   ARG  34          1HB       ARG  34  -8.328  -1.442  -2.105
  234   2HB   ARG  34          2HB       ARG  34  -7.155  -2.523  -2.832
  235   1HG   ARG  34          1HG       ARG  34  -8.997  -1.865  -4.415
  236   2HG   ARG  34          2HG       ARG  34  -8.872  -3.599  -4.194
  237   1HD   ARG  34          1HD       ARG  34 -10.680  -2.294  -2.233
  238   2HD   ARG  34          2HD       ARG  34 -11.205  -2.104  -3.894
  239    HE   ARG  34           HE       ARG  34 -11.169  -4.580  -2.361
  240   1HH1  ARG  34          1HH1      ARG  34 -10.969  -3.259  -5.616
  241   2HH1  ARG  34          2HH1      ARG  34 -11.535  -4.708  -6.377
  242   1HH2  ARG  34          1HH2      ARG  34 -11.915  -6.493  -3.364
  243   2HH2  ARG  34          2HH2      ARG  34 -12.077  -6.560  -5.088
  244    H    GLY  35           H        GLY  35  -6.247  -3.815  -0.084
  245   1HA   GLY  35          1HA       GLY  35  -5.675  -6.389  -1.427
  246   2HA   GLY  35          2HA       GLY  35  -5.265  -6.015   0.235
  247    H    CYS  36           H        CYS  36  -3.788  -4.027   0.575
  248    HA   CYS  36           HA       CYS  36  -1.414  -4.425  -0.706
  249   1HB   CYS  36          1HB       CYS  36  -3.077  -3.175  -2.513
  250   2HB   CYS  36          2HB       CYS  36  -2.203  -1.826  -1.814
  251    H    CYS  37           H        CYS  37  -0.602  -1.534  -0.741
  252    HA   CYS  37           HA       CYS  37  -1.119  -0.893   2.070
  253   1HB   CYS  37          1HB       CYS  37   1.475  -1.143   0.615
  254   2HB   CYS  37          2HB       CYS  37   1.323   0.130   1.810
  255    H    PHE  38           H        PHE  38  -1.165   1.426   2.525
  256    HA   PHE  38           HA       PHE  38  -1.492   3.022   0.082
  257   1HB   PHE  38          1HB       PHE  38  -3.591   2.671   1.365
  258   2HB   PHE  38          2HB       PHE  38  -2.784   3.065   2.870
  259    HD1  PHE  38           HD1      PHE  38  -4.047   4.474  -0.295
  260    HD2  PHE  38           HD2      PHE  38  -2.521   5.326   3.572
  261    HE1  PHE  38           HE1      PHE  38  -4.738   6.873  -0.551
  262    HE2  PHE  38           HE2      PHE  38  -3.212   7.726   3.316
  263    HZ   PHE  38           HZ       PHE  38  -4.312   8.471   1.257
  264    H    ASP  39           H        ASP  39  -1.295   5.518   0.689
  265    HA   ASP  39           HA       ASP  39   0.344   6.213   2.810
  266   1HB   ASP  39          1HB       ASP  39   2.173   5.090   1.715
  267   2HB   ASP  39          2HB       ASP  39   1.710   5.706   0.141
  268    H    SER  40           H        SER  40   0.497   8.554   2.881
  269    HA   SER  40           HA       SER  40  -0.457   9.909   0.493
  270   1HB   SER  40          1HB       SER  40  -1.912  11.355   1.856
  271   2HB   SER  40          2HB       SER  40  -2.373   9.674   2.039
  272    HG   SER  40           HG       SER  40  -2.317  10.643   4.107
  273    H    ARG  41           H        ARG  41   2.162   9.406   2.187
  274    HA   ARG  41           HA       ARG  41   2.853  11.799   3.361
  275   1HB   ARG  41          1HB       ARG  41   4.022   9.368   3.223
  276   2HB   ARG  41          2HB       ARG  41   4.957  10.142   1.960
  277   1HG   ARG  41          1HG       ARG  41   5.146  12.093   3.830
  278   2HG   ARG  41          2HG       ARG  41   4.883  10.737   4.909
  279   1HD   ARG  41          1HD       ARG  41   6.792   9.516   3.783
  280   2HD   ARG  41          2HD       ARG  41   7.081  10.932   2.792
  281    HE   ARG  41           HE       ARG  41   7.029  11.630   5.608
  282   1HH1  ARG  41          1HH1      ARG  41   9.056  10.204   3.110
  283   2HH1  ARG  41          2HH1      ARG  41  10.541  10.623   3.897
  284   1HH2  ARG  41          1HH2      ARG  41   8.988  12.183   6.647
  285   2HH2  ARG  41          2HH2      ARG  41  10.502  11.756   5.923
  286    H    ILE  42           H        ILE  42   3.416  10.516   0.014
  287    HA   ILE  42           HA       ILE  42   3.656  13.268  -0.903
  288    HB   ILE  42           HB       ILE  42   5.591  12.029  -2.391
  289   1HG1  ILE  42          1HG1      ILE  42   7.151  11.011  -0.746
  290   2HG1  ILE  42          2HG1      ILE  42   5.891  11.069   0.470
  291   1HG2  ILE  42          1HG2      ILE  42   5.570  13.939  -0.094
  292   2HG2  ILE  42          2HG2      ILE  42   7.134  13.325  -0.678
  293   3HG2  ILE  42          3HG2      ILE  42   6.045  14.186  -1.791
  294   1HD1  ILE  42          1HD1      ILE  42   4.979   9.835  -2.057
  295   2HD1  ILE  42          2HD1      ILE  42   6.327   8.963  -1.289
  296   3HD1  ILE  42          3HD1      ILE  42   4.820   9.248  -0.385
  297    HA   PRO  43           HA       PRO  43   1.076  11.493  -3.902
  298   1HB   PRO  43          1HB       PRO  43   0.758  13.679  -5.511
  299   2HB   PRO  43          2HB       PRO  43  -0.180  13.418  -4.054
  300   1HG   PRO  43          1HG       PRO  43   2.060  15.294  -4.504
  301   2HG   PRO  43          2HG       PRO  43   0.854  15.309  -3.233
  302   1HD   PRO  43          1HD       PRO  43   3.580  14.448  -3.002
  303   2HD   PRO  43          2HD       PRO  43   2.343  14.355  -1.764
  304    H    GLY  44           H        GLY  44   3.951  13.230  -4.864
  305   1HA   GLY  44          1HA       GLY  44   5.563  12.554  -6.311
  306   2HA   GLY  44          2HA       GLY  44   4.244  12.651  -7.461
  307    H    VAL  45           H        VAL  45   4.856  10.324  -4.739
  308    HA   VAL  45           HA       VAL  45   5.364   8.221  -6.660
  309    HB   VAL  45           HB       VAL  45   6.310   7.092  -4.943
  310   1HG1  VAL  45          1HG1      VAL  45   6.994   9.692  -5.013
  311   2HG1  VAL  45          2HG1      VAL  45   6.441   9.590  -3.325
  312   3HG1  VAL  45          3HG1      VAL  45   7.744   8.523  -3.900
  313   1HG2  VAL  45          1HG2      VAL  45   4.090   8.223  -3.261
  314   2HG2  VAL  45          2HG2      VAL  45   4.561   6.529  -3.535
  315   3HG2  VAL  45          3HG2      VAL  45   5.546   7.566  -2.475
  316    HA   PRO  46           HA       PRO  46   1.454   6.388  -6.406
  317   1HB   PRO  46          1HB       PRO  46   1.909   3.707  -6.133
  318   2HB   PRO  46          2HB       PRO  46   2.068   4.555  -7.658
  319   1HG   PRO  46          1HG       PRO  46   4.193   3.565  -5.858
  320   2HG   PRO  46          2HG       PRO  46   4.308   4.020  -7.547
  321   1HD   PRO  46          1HD       PRO  46   5.180   5.561  -5.291
  322   2HD   PRO  46          2HD       PRO  46   5.188   6.064  -6.969
  323    H    TRP  47           H        TRP  47   0.532   7.413  -4.631
  324    HA   TRP  47           HA       TRP  47   0.922   7.046  -2.063
  325   1HB   TRP  47          1HB       TRP  47  -1.559   7.366  -3.664
  326   2HB   TRP  47          2HB       TRP  47  -1.758   6.925  -1.979
  327    HD1  TRP  47           HD1      TRP  47   1.142   9.267  -2.926
  328    HE1  TRP  47           HE1      TRP  47   0.767  11.698  -1.967
  329    HE3  TRP  47           HE3      TRP  47  -3.622   8.473  -1.334
  330    HZ2  TRP  47           HZ2      TRP  47  -1.430  12.986  -0.680
  331    HZ3  TRP  47           HZ3      TRP  47  -4.811  10.370  -0.237
  332    HH2  TRP  47           HH2      TRP  47  -3.791  12.565   0.099
  333    H    CYS  48           H        CYS  48  -1.016   4.754  -4.116
  334    HA   CYS  48           HA       CYS  48  -0.935   2.834  -1.948
  335   1HB   CYS  48          1HB       CYS  48  -2.989   3.411  -3.424
  336   2HB   CYS  48          2HB       CYS  48  -2.228   2.387  -4.626
  337    H    PHE  49           H        PHE  49   0.554   1.169  -1.912
  338    HA   PHE  49           HA       PHE  49   1.705   0.283  -4.416
  339   1HB   PHE  49          1HB       PHE  49   4.023   0.535  -3.244
  340   2HB   PHE  49          2HB       PHE  49   3.283   2.025  -3.794
  341    HD1  PHE  49           HD1      PHE  49   3.485  -0.131  -0.756
  342    HD2  PHE  49           HD2      PHE  49   3.101   3.797  -2.316
  343    HE1  PHE  49           HE1      PHE  49   3.648   0.807   1.566
  344    HE2  PHE  49           HE2      PHE  49   3.264   4.735   0.007
  345    HZ   PHE  49           HZ       PHE  49   3.536   3.229   1.920
  346    H    LYS  50           H        LYS  50   3.165  -1.687  -4.028
  347    HA   LYS  50           HA       LYS  50   1.761  -3.481  -2.350
  348   1HB   LYS  50          1HB       LYS  50   4.426  -3.935  -3.713
  349   2HB   LYS  50          2HB       LYS  50   3.260  -5.142  -3.211
  350   1HG   LYS  50          1HG       LYS  50   1.579  -4.052  -4.807
  351   2HG   LYS  50          2HG       LYS  50   2.888  -3.049  -5.400
  352   1HD   LYS  50          1HD       LYS  50   2.966  -4.827  -6.923
  353   2HD   LYS  50          2HD       LYS  50   4.160  -5.342  -5.748
  354   1HE   LYS  50          1HE       LYS  50   2.764  -6.995  -4.835
  355   2HE   LYS  50          2HE       LYS  50   1.292  -6.156  -5.280
  356   1HZ   LYS  50          1HZ       LYS  50   2.981  -7.029  -7.451
  357   2HZ   LYS  50          2HZ       LYS  50   2.205  -8.200  -6.619
  358   3HZ   LYS  50          3HZ       LYS  50   1.352  -7.010  -7.342
  359    HA   PRO  51           HA       PRO  51   4.097  -3.269   1.272
  360   1HB   PRO  51          1HB       PRO  51   4.192  -5.854   2.153
  361   2HB   PRO  51          2HB       PRO  51   2.785  -4.828   2.344
  362   1HG   PRO  51          1HG       PRO  51   3.212  -7.052   0.444
  363   2HG   PRO  51          2HG       PRO  51   1.706  -6.307   0.942
  364   1HD   PRO  51          1HD       PRO  51   3.087  -5.895  -1.538
  365   2HD   PRO  51          2HD       PRO  51   1.644  -5.065  -0.992
  366    H    LEU  52           H        LEU  52   6.139  -2.681   1.599
  367    HA   LEU  52           HA       LEU  52   8.179  -3.228   0.013
  368   1HB   LEU  52          1HB       LEU  52   8.384  -1.699   1.815
  369   2HB   LEU  52          2HB       LEU  52   8.159  -2.957   3.014
  370    HG   LEU  52           HG       LEU  52  10.545  -2.789   1.153
  371   1HD1  LEU  52          1HD1      LEU  52  10.104  -0.934   3.002
  372   2HD1  LEU  52          2HD1      LEU  52  10.777  -2.191   4.067
  373   3HD1  LEU  52          3HD1      LEU  52  11.729  -1.590   2.688
  374   1HD2  LEU  52          1HD2      LEU  52   9.592  -4.805   3.033
  375   2HD2  LEU  52          2HD2      LEU  52  10.857  -4.902   1.785
  376   3HD2  LEU  52          3HD2      LEU  52  11.245  -4.255   3.398
  377    H    GLN  53           H        GLN  53   9.721  -4.826  -0.397
  378    HA   GLN  53           HA       GLN  53   8.857  -7.430  -0.016
  379   1HB   GLN  53          1HB       GLN  53  11.214  -6.060  -1.185
  380   2HB   GLN  53          2HB       GLN  53  11.556  -7.676  -0.601
  381   1HG   GLN  53          1HG       GLN  53  10.718  -8.393  -2.597
  382   2HG   GLN  53          2HG       GLN  53   9.141  -8.069  -1.906
  383   2HE2  GLN  53          2HE2      GLN  53   8.758  -5.501  -1.873
  384   1HE2  GLN  53          1HE2      GLN  53   8.890  -4.753  -3.430
  385    H    GLU  54           H        GLU  54   8.462  -7.546   2.327
  386    HA   GLU  54           HA       GLU  54  10.355  -7.067   4.230
  387   1HB   GLU  54          1HB       GLU  54   8.992  -8.444   5.706
  388   2HB   GLU  54          2HB       GLU  54   7.932  -7.541   4.642
  389   1HG   GLU  54          1HG       GLU  54   6.966  -9.541   4.144
  390   2HG   GLU  54          2HG       GLU  54   8.386  -9.858   3.167
  391    H    ALA  55           H        ALA  55  12.439  -7.825   4.172
  392    HA   ALA  55           HA       ALA  55  12.751 -10.728   3.993
  393   1HB   ALA  55          1HB       ALA  55  14.079 -10.656   2.159
  394   2HB   ALA  55          2HB       ALA  55  14.894  -9.167   2.693
  395   3HB   ALA  55          3HB       ALA  55  13.323  -9.073   1.860
  396    H    GLU  56           H        GLU  56  14.251 -11.549   5.443
  397    HA   GLU  56           HA       GLU  56  14.958  -9.904   7.562
  398   1HB   GLU  56          1HB       GLU  56  14.951 -12.668   6.985
  399   2HB   GLU  56          2HB       GLU  56  16.628 -12.303   7.342
  400   1HG   GLU  56          1HG       GLU  56  15.749 -12.756   9.481
  401   2HG   GLU  56          2HG       GLU  56  15.694 -11.005   9.420
  402    H    CYS  57           H        CYS  57  16.630  -8.483   7.815
  403    HA   CYS  57           HA       CYS  57  18.426  -8.023   5.734
  404   1HB   CYS  57          1HB       CYS  57  19.533  -6.485   7.297
  405   2HB   CYS  57          2HB       CYS  57  17.799  -6.251   7.212
  406    H    THR  58           H        THR  58  20.949  -7.999   6.229
  407    HA   THR  58           HA       THR  58  22.697  -9.429   6.226
  408    HB   THR  58           HB       THR  58  22.912  -8.349   8.388
  409    HG1  THR  58           HG1      THR  58  24.274 -10.016   8.896
  410   1HG2  THR  58          1HG2      THR  58  20.964 -10.485   9.407
  411   2HG2  THR  58          2HG2      THR  58  21.835  -9.315  10.426
  412   3HG2  THR  58          3HG2      THR  58  20.604  -8.747   9.273
  413    H    PHE  59           H        PHE  59  21.353 -10.894   4.758
  414    HA   PHE  59           HA       PHE  59  20.721 -12.921   4.160
  415   1HB   PHE  59          1HB       PHE  59  22.779 -13.271   6.348
  416   2HB   PHE  59          2HB       PHE  59  21.888 -14.717   5.914
  417    HD1  PHE  59           HD1      PHE  59  24.183 -12.129   4.644
  418    HD2  PHE  59           HD2      PHE  59  22.301 -15.849   3.852
  419    HE1  PHE  59           HE1      PHE  59  25.721 -12.492   2.695
  420    HE2  PHE  59           HE2      PHE  59  23.839 -16.212   1.903
  421    HZ   PHE  59           HZ       PHE  59  25.531 -14.530   1.347

  No H/Q in entry =         421
  Start of MODEL   21
    1    H    GLU   1           H        GLU   1   8.413 -11.039  21.096
    2    HA   GLU   1           HA       GLU   1   6.972 -11.643  23.476
    3   1HB   GLU   1          1HB       GLU   1   7.521  -8.798  22.654
    4   2HB   GLU   1          2HB       GLU   1   5.936  -9.175  23.298
    5   1HG   GLU   1          1HG       GLU   1   6.869  -8.935  25.360
    6   2HG   GLU   1          2HG       GLU   1   7.619 -10.495  25.086
    7    H    GLU   2           H        GLU   2   6.789  -9.697  20.404
    8    HA   GLU   2           HA       GLU   2   4.892 -11.537  19.369
    9   1HB   GLU   2          1HB       GLU   2   3.026  -9.972  19.103
   10   2HB   GLU   2          2HB       GLU   2   3.419 -10.136  20.802
   11   1HG   GLU   2          1HG       GLU   2   4.867  -8.035  20.577
   12   2HG   GLU   2          2HG       GLU   2   4.223  -7.840  18.959
   13    H    TYR   3           H        TYR   3   3.868 -10.148  17.218
   14    HA   TYR   3           HA       TYR   3   6.269  -9.002  15.957
   15   1HB   TYR   3          1HB       TYR   3   4.897 -11.422  15.445
   16   2HB   TYR   3          2HB       TYR   3   4.152 -10.326  14.298
   17    HD1  TYR   3           HD1      TYR   3   5.492  -9.292  12.490
   18    HD2  TYR   3           HD2      TYR   3   7.199 -12.141  15.187
   19    HE1  TYR   3           HE1      TYR   3   7.455  -9.624  10.909
   20    HE2  TYR   3           HE2      TYR   3   9.156 -12.463  13.596
   21    HH   TYR   3           HH       TYR   3   9.258 -12.019  10.755
   22    H    VAL   4           H        VAL   4   5.792  -7.530  14.104
   23    HA   VAL   4           HA       VAL   4   3.105  -6.396  14.204
   24    HB   VAL   4           HB       VAL   4   5.694  -4.996  14.813
   25   1HG1  VAL   4          1HG1      VAL   4   4.612  -3.789  12.932
   26   2HG1  VAL   4          2HG1      VAL   4   3.135  -3.629  13.913
   27   3HG1  VAL   4          3HG1      VAL   4   4.641  -2.838  14.437
   28   1HG2  VAL   4          1HG2      VAL   4   3.761  -5.941  16.461
   29   2HG2  VAL   4          2HG2      VAL   4   4.777  -4.527  16.833
   30   3HG2  VAL   4          3HG2      VAL   4   3.144  -4.298  16.162
   31    H    GLY   5           H        GLY   5   2.357  -6.506  12.156
   32   1HA   GLY   5          1HA       GLY   5   3.071  -7.250   9.899
   33   2HA   GLY   5          2HA       GLY   5   4.299  -6.002   9.980
   34    H    LEU   6           H        LEU   6   1.644  -4.818  11.687
   35    HA   LEU   6           HA       LEU   6   0.646  -3.476   9.271
   36   1HB   LEU   6          1HB       LEU   6  -1.492  -3.322  10.835
   37   2HB   LEU   6          2HB       LEU   6  -1.219  -4.634   9.706
   38    HG   LEU   6           HG       LEU   6  -2.031  -5.366  11.935
   39   1HD1  LEU   6          1HD1      LEU   6   0.145  -6.432  10.407
   40   2HD1  LEU   6          2HD1      LEU   6   0.408  -6.794  12.130
   41   3HD1  LEU   6          3HD1      LEU   6  -1.107  -7.289  11.337
   42   1HD2  LEU   6          1HD2      LEU   6   0.369  -3.873  12.823
   43   2HD2  LEU   6          2HD2      LEU   6  -1.187  -4.154  13.641
   44   3HD2  LEU   6          3HD2      LEU   6   0.058  -5.426  13.636
   45    H    SER   7           H        SER   7   2.737  -2.236  10.178
   46    HA   SER   7           HA       SER   7   1.594  -0.086  11.753
   47   1HB   SER   7          1HB       SER   7   3.668   0.108  13.091
   48   2HB   SER   7          2HB       SER   7   2.894  -1.443  13.341
   49    HG   SER   7           HG       SER   7   5.378  -0.842  12.180
   50    H    ALA   8           H        ALA   8   4.281  -1.323   9.676
   51    HA   ALA   8           HA       ALA   8   4.133   0.719   7.837
   52   1HB   ALA   8          1HB       ALA   8   5.637   1.414  10.281
   53   2HB   ALA   8          2HB       ALA   8   6.560   1.643   8.776
   54   3HB   ALA   8          3HB       ALA   8   4.996   2.465   8.995
   55    H    ASN   9           H        ASN   9   6.213  -1.530   9.711
   56    HA   ASN   9           HA       ASN   9   8.289  -1.966   8.200
   57   1HB   ASN   9          1HB       ASN   9   6.380  -4.058   9.349
   58   2HB   ASN   9          2HB       ASN   9   7.925  -4.506   8.654
   59   2HD2  ASN   9          2HD2      ASN   9   7.985  -5.309  10.978
   60   1HD2  ASN   9          1HD2      ASN   9   8.728  -4.274  12.152
   61    H    GLN  10           H        GLN  10   4.899  -2.870   7.411
   62    HA   GLN  10           HA       GLN  10   5.667  -4.291   5.067
   63   1HB   GLN  10          1HB       GLN  10   3.502  -4.461   6.666
   64   2HB   GLN  10          2HB       GLN  10   2.847  -3.337   5.492
   65   1HG   GLN  10          1HG       GLN  10   2.409  -5.109   4.146
   66   2HG   GLN  10          2HG       GLN  10   4.137  -5.290   3.915
   67   2HE2  GLN  10          2HE2      GLN  10   5.087  -6.133   6.262
   68   1HE2  GLN  10          1HE2      GLN  10   4.427  -7.665   6.726
   69    H    CYS  11           H        CYS  11   4.046  -1.133   5.820
   70    HA   CYS  11           HA       CYS  11   4.512  -0.376   3.035
   71   1HB   CYS  11          1HB       CYS  11   2.875   1.404   4.711
   72   2HB   CYS  11          2HB       CYS  11   2.635   0.856   3.063
   73    H    ALA  12           H        ALA  12   6.800  -0.485   4.600
   74    HA   ALA  12           HA       ALA  12   7.215   2.302   5.433
   75   1HB   ALA  12          1HB       ALA  12   9.198   1.255   6.671
   76   2HB   ALA  12          2HB       ALA  12   7.579   0.842   7.284
   77   3HB   ALA  12          3HB       ALA  12   8.476  -0.325   6.284
   78    H    VAL  13           H        VAL  13   7.179   2.151   2.772
   79    HA   VAL  13           HA       VAL  13   9.895   1.552   1.887
   80    HB   VAL  13           HB       VAL  13   7.897   2.516  -0.046
   81   1HG1  VAL  13          1HG1      VAL  13  10.144   0.623   0.125
   82   2HG1  VAL  13          2HG1      VAL  13   8.779   0.040  -0.858
   83   3HG1  VAL  13          3HG1      VAL  13   9.558   1.592  -1.249
   84   1HG2  VAL  13          1HG2      VAL  13   7.405   0.030   1.605
   85   2HG2  VAL  13          2HG2      VAL  13   6.283   1.361   1.232
   86   3HG2  VAL  13          3HG2      VAL  13   6.764   0.218  -0.045
   87    HA   PRO  14           HA       PRO  14  10.907   5.754   1.809
   88   1HB   PRO  14          1HB       PRO  14  12.978   5.757   0.026
   89   2HB   PRO  14          2HB       PRO  14  13.158   5.282   1.702
   90   1HG   PRO  14          1HG       PRO  14  13.071   3.574  -0.709
   91   2HG   PRO  14          2HG       PRO  14  13.664   3.182   0.892
   92   1HD   PRO  14          1HD       PRO  14  11.167   2.368  -0.260
   93   2HD   PRO  14          2HD       PRO  14  11.710   2.074   1.380
   94    H    ALA  15           H        ALA  15   9.245   4.304  -0.553
   95    HA   ALA  15           HA       ALA  15   7.790   5.305  -1.958
   96   1HB   ALA  15          1HB       ALA  15   9.306   7.868  -2.195
   97   2HB   ALA  15          2HB       ALA  15   7.554   7.583  -2.062
   98   3HB   ALA  15          3HB       ALA  15   8.580   7.508  -0.610
   99    H    LYS  16           H        LYS  16  11.275   5.239  -2.175
  100    HA   LYS  16           HA       LYS  16  11.210   5.470  -5.071
  101   1HB   LYS  16          1HB       LYS  16  13.660   5.400  -4.889
  102   2HB   LYS  16          2HB       LYS  16  12.962   6.670  -3.905
  103   1HG   LYS  16          1HG       LYS  16  14.673   5.521  -2.593
  104   2HG   LYS  16          2HG       LYS  16  13.105   5.172  -1.892
  105   1HD   LYS  16          1HD       LYS  16  13.105   2.945  -2.631
  106   2HD   LYS  16          2HD       LYS  16  14.155   3.280  -3.994
  107   1HE   LYS  16          1HE       LYS  16  15.868   3.905  -1.961
  108   2HE   LYS  16          2HE       LYS  16  14.872   2.723  -1.134
  109   1HZ   LYS  16          1HZ       LYS  16  15.287   1.216  -2.996
  110   2HZ   LYS  16          2HZ       LYS  16  16.295   2.309  -3.671
  111   3HZ   LYS  16          3HZ       LYS  16  16.664   1.641  -2.227
  112    H    ASP  17           H        ASP  17  10.232   3.164  -3.027
  113    HA   ASP  17           HA       ASP  17  11.329   1.082  -4.742
  114   1HB   ASP  17          1HB       ASP  17  11.618   1.373  -1.886
  115   2HB   ASP  17          2HB       ASP  17  10.563   0.002  -2.169
  116    H    ARG  18           H        ARG  18   8.757   2.816  -4.552
  117    HA   ARG  18           HA       ARG  18   6.761   1.045  -3.637
  118   1HB   ARG  18          1HB       ARG  18   6.336   3.407  -5.519
  119   2HB   ARG  18          2HB       ARG  18   5.198   2.748  -4.360
  120   1HG   ARG  18          1HG       ARG  18   7.863   3.854  -3.416
  121   2HG   ARG  18          2HG       ARG  18   6.532   4.942  -3.756
  122   1HD   ARG  18          1HD       ARG  18   5.307   2.953  -2.215
  123   2HD   ARG  18          2HD       ARG  18   6.896   3.073  -1.487
  124    HE   ARG  18           HE       ARG  18   5.563   5.656  -2.000
  125   1HH1  ARG  18          1HH1      ARG  18   6.205   3.087   0.317
  126   2HH1  ARG  18          2HH1      ARG  18   5.848   4.069   1.698
  127   1HH2  ARG  18          1HH2      ARG  18   5.092   6.953  -0.178
  128   2HH2  ARG  18          2HH2      ARG  18   5.210   6.283   1.415
  129    H    VAL  19           H        VAL  19   5.722  -0.578  -4.784
  130    HA   VAL  19           HA       VAL  19   6.522  -0.934  -7.551
  131    HB   VAL  19           HB       VAL  19   4.827  -2.737  -5.824
  132   1HG1  VAL  19          1HG1      VAL  19   6.465  -3.131  -8.340
  133   2HG1  VAL  19          2HG1      VAL  19   5.912  -4.486  -7.327
  134   3HG1  VAL  19          3HG1      VAL  19   4.724  -3.408  -8.097
  135   1HG2  VAL  19          1HG2      VAL  19   7.528  -1.975  -5.353
  136   2HG2  VAL  19          2HG2      VAL  19   6.577  -3.241  -4.540
  137   3HG2  VAL  19          3HG2      VAL  19   7.544  -3.641  -5.980
  138    H    ASP  20           H        ASP  20   4.096   0.671  -5.823
  139    HA   ASP  20           HA       ASP  20   2.160   1.498  -6.335
  140   1HB   ASP  20          1HB       ASP  20   3.107   2.534  -8.260
  141   2HB   ASP  20          2HB       ASP  20   3.290   1.010  -9.105
  142    H    CYS  21           H        CYS  21   0.412   0.220  -5.690
  143    HA   CYS  21           HA       CYS  21   0.055  -2.385  -6.777
  144   1HB   CYS  21          1HB       CYS  21  -0.542  -1.297  -4.401
  145   2HB   CYS  21          2HB       CYS  21  -2.095  -1.085  -5.183
  146    H    GLY  22           H        GLY  22  -0.893   0.876  -7.570
  147   1HA   GLY  22          1HA       GLY  22  -2.193   0.106  -9.952
  148   2HA   GLY  22          2HA       GLY  22  -2.134   1.711  -9.250
  149    H    TYR  23           H        TYR  23  -3.814   2.437  -7.818
  150    HA   TYR  23           HA       TYR  23  -6.257   0.855  -8.098
  151   1HB   TYR  23          1HB       TYR  23  -4.723   1.768  -5.643
  152   2HB   TYR  23          2HB       TYR  23  -6.467   1.921  -5.558
  153    HD1  TYR  23           HD1      TYR  23  -7.752  -0.318  -6.433
  154    HD2  TYR  23           HD2      TYR  23  -3.806  -0.177  -4.784
  155    HE1  TYR  23           HE1      TYR  23  -7.929  -2.769  -5.781
  156    HE2  TYR  23           HE2      TYR  23  -3.996  -2.628  -4.138
  157    HH   TYR  23           HH       TYR  23  -6.768  -4.214  -3.885
  158    HA   PRO  24           HA       PRO  24  -7.908   4.770  -8.921
  159   1HB   PRO  24          1HB       PRO  24 -10.577   4.271  -8.612
  160   2HB   PRO  24          2HB       PRO  24  -9.686   3.856 -10.063
  161   1HG   PRO  24          1HG       PRO  24 -10.645   2.078  -7.905
  162   2HG   PRO  24          2HG       PRO  24 -10.145   1.659  -9.531
  163   1HD   PRO  24          1HD       PRO  24  -8.629   1.298  -7.123
  164   2HD   PRO  24          2HD       PRO  24  -8.086   0.988  -8.760
  165    H    HIS  25           H        HIS  25 -10.040   3.560  -6.382
  166    HA   HIS  25           HA       HIS  25  -9.680   6.117  -5.067
  167   1HB   HIS  25          1HB       HIS  25 -11.611   5.533  -3.769
  168   2HB   HIS  25          2HB       HIS  25 -11.951   5.235  -5.463
  169    HD1  HIS  25           HD1      HIS  25 -13.708   3.803  -3.476
  170    HD2  HIS  25           HD2      HIS  25 -10.099   2.181  -4.868
  171    HE1  HIS  25           HE1      HIS  25 -13.876   1.281  -3.127
  172    HE2  HIS  25           HE2      HIS  25 -11.653   0.334  -4.052
  173    H    VAL  26           H        VAL  26  -7.519   5.905  -4.281
  174    HA   VAL  26           HA       VAL  26  -7.084   3.701  -2.413
  175    HB   VAL  26           HB       VAL  26  -4.724   4.486  -2.510
  176   1HG1  VAL  26          1HG1      VAL  26  -5.504   2.647  -3.927
  177   2HG1  VAL  26          2HG1      VAL  26  -6.006   3.808  -5.180
  178   3HG1  VAL  26          3HG1      VAL  26  -4.282   3.624  -4.775
  179   1HG2  VAL  26          1HG2      VAL  26  -5.473   6.863  -3.240
  180   2HG2  VAL  26          2HG2      VAL  26  -3.984   6.180  -3.936
  181   3HG2  VAL  26          3HG2      VAL  26  -5.490   6.181  -4.884
  182    H    THR  27           H        THR  27  -6.941   4.011  -0.219
  183    HA   THR  27           HA       THR  27  -6.621   6.713   0.794
  184    HB   THR  27           HB       THR  27  -8.750   6.855   1.803
  185    HG1  THR  27           HG1      THR  27  -9.835   4.900   2.384
  186   1HG2  THR  27          1HG2      THR  27  -9.194   5.089  -0.660
  187   2HG2  THR  27          2HG2      THR  27 -10.499   5.919   0.222
  188   3HG2  THR  27          3HG2      THR  27  -9.246   6.867  -0.614
  189    HA   PRO  28           HA       PRO  28  -4.731   4.688   4.076
  190   1HB   PRO  28          1HB       PRO  28  -5.464   6.069   6.317
  191   2HB   PRO  28          2HB       PRO  28  -4.249   6.643   5.192
  192   1HG   PRO  28          1HG       PRO  28  -7.033   7.572   5.546
  193   2HG   PRO  28          2HG       PRO  28  -5.697   8.384   4.755
  194   1HD   PRO  28          1HD       PRO  28  -7.884   7.037   3.479
  195   2HD   PRO  28          2HD       PRO  28  -6.489   7.749   2.693
  196    H    LYS  29           H        LYS  29  -7.054   3.362   3.203
  197    HA   LYS  29           HA       LYS  29  -7.312   1.533   5.270
  198   1HB   LYS  29          1HB       LYS  29  -8.595   3.631   6.182
  199   2HB   LYS  29          2HB       LYS  29  -9.859   3.118   5.083
  200   1HG   LYS  29          1HG       LYS  29  -8.579   1.122   6.981
  201   2HG   LYS  29          2HG       LYS  29  -9.851   2.187   7.545
  202   1HD   LYS  29          1HD       LYS  29 -11.343   1.360   5.699
  203   2HD   LYS  29          2HD       LYS  29 -10.073   0.273   5.172
  204   1HE   LYS  29          1HE       LYS  29 -10.519  -0.057   8.037
  205   2HE   LYS  29          2HE       LYS  29 -12.042  -0.205   7.182
  206   1HZ   LYS  29          1HZ       LYS  29 -11.002  -1.822   5.736
  207   2HZ   LYS  29          2HZ       LYS  29  -9.587  -1.687   6.539
  208   3HZ   LYS  29          3HZ       LYS  29 -10.899  -2.297   7.295
  209    H    GLU  30           H        GLU  30  -9.005   3.196   2.547
  210    HA   GLU  30           HA       GLU  30 -10.278   0.830   1.716
  211   1HB   GLU  30          1HB       GLU  30 -11.215   3.019   1.168
  212   2HB   GLU  30          2HB       GLU  30  -9.761   3.482   0.306
  213   1HG   GLU  30          1HG       GLU  30 -10.345   2.310  -1.578
  214   2HG   GLU  30          2HG       GLU  30 -10.933   0.935  -0.663
  215    H    CYS  31           H        CYS  31  -7.232   2.530   0.855
  216    HA   CYS  31           HA       CYS  31  -6.671   0.891  -1.368
  217   1HB   CYS  31          1HB       CYS  31  -5.533   2.861  -1.490
  218   2HB   CYS  31          2HB       CYS  31  -5.217   2.931   0.232
  219    H    ASN  32           H        ASN  32  -5.973   0.824   2.156
  220    HA   ASN  32           HA       ASN  32  -4.248  -1.427   1.873
  221   1HB   ASN  32          1HB       ASN  32  -3.654  -0.936   4.043
  222   2HB   ASN  32          2HB       ASN  32  -4.548   0.550   3.789
  223   2HD2  ASN  32          2HD2      ASN  32  -4.149  -2.004   5.787
  224   1HD2  ASN  32          1HD2      ASN  32  -5.679  -2.055   6.597
  225    H    ASN  33           H        ASN  33  -7.554  -0.975   1.626
  226    HA   ASN  33           HA       ASN  33  -8.227  -3.372   3.109
  227   1HB   ASN  33          1HB       ASN  33  -9.749  -1.537   3.546
  228   2HB   ASN  33          2HB       ASN  33  -9.875  -1.135   1.845
  229   2HD2  ASN  33          2HD2      ASN  33 -12.185  -1.253   2.472
  230   1HD2  ASN  33          1HD2      ASN  33 -13.012  -2.768   2.320
  231    H    ARG  34           H        ARG  34  -8.178  -1.839  -0.147
  232    HA   ARG  34           HA       ARG  34  -9.606  -3.745  -1.504
  233   1HB   ARG  34          1HB       ARG  34  -8.401  -1.392  -2.178
  234   2HB   ARG  34          2HB       ARG  34  -7.239  -2.498  -2.881
  235   1HG   ARG  34          1HG       ARG  34  -9.072  -1.811  -4.478
  236   2HG   ARG  34          2HG       ARG  34  -8.940  -3.546  -4.267
  237   1HD   ARG  34          1HD       ARG  34 -10.763  -2.292  -2.298
  238   2HD   ARG  34          2HD       ARG  34 -11.277  -2.038  -3.954
  239    HE   ARG  34           HE       ARG  34 -10.510  -4.788  -3.615
  240   1HH1  ARG  34          1HH1      ARG  34 -13.070  -2.538  -2.740
  241   2HH1  ARG  34          2HH1      ARG  34 -14.283  -3.769  -2.615
  242   1HH2  ARG  34          1HH2      ARG  34 -12.110  -6.412  -3.449
  243   2HH2  ARG  34          2HH2      ARG  34 -13.733  -5.987  -3.020
  244    H    GLY  35           H        GLY  35  -6.280  -3.725  -0.276
  245   1HA   GLY  35          1HA       GLY  35  -5.786  -6.319  -1.612
  246   2HA   GLY  35          2HA       GLY  35  -5.439  -6.033   0.081
  247    H    CYS  36           H        CYS  36  -3.936  -4.090   0.571
  248    HA   CYS  36           HA       CYS  36  -1.506  -4.488  -0.539
  249   1HB   CYS  36          1HB       CYS  36  -3.091  -3.114  -2.428
  250   2HB   CYS  36          2HB       CYS  36  -1.984  -1.926  -1.767
  251    H    CYS  37           H        CYS  37  -0.552  -1.695  -0.541
  252    HA   CYS  37           HA       CYS  37  -1.280  -0.969   2.204
  253   1HB   CYS  37          1HB       CYS  37   1.362  -1.294   0.898
  254   2HB   CYS  37          2HB       CYS  37   1.185   0.101   1.943
  255    H    PHE  38           H        PHE  38  -1.281   1.379   2.636
  256    HA   PHE  38           HA       PHE  38  -1.598   2.925   0.159
  257   1HB   PHE  38          1HB       PHE  38  -3.707   2.621   1.424
  258   2HB   PHE  38          2HB       PHE  38  -2.910   3.007   2.936
  259    HD1  PHE  38           HD1      PHE  38  -4.144   4.422  -0.235
  260    HD2  PHE  38           HD2      PHE  38  -2.611   5.270   3.630
  261    HE1  PHE  38           HE1      PHE  38  -4.805   6.829  -0.500
  262    HE2  PHE  38           HE2      PHE  38  -3.272   7.677   3.365
  263    HZ   PHE  38           HZ       PHE  38  -4.361   8.428   1.303
  264    H    ASP  39           H        ASP  39  -1.393   5.430   0.708
  265    HA   ASP  39           HA       ASP  39   0.205   6.195   2.823
  266   1HB   ASP  39          1HB       ASP  39   2.025   4.954   1.791
  267   2HB   ASP  39          2HB       ASP  39   1.661   5.614   0.209
  268    H    SER  40           H        SER  40   0.389   8.534   2.791
  269    HA   SER  40           HA       SER  40  -0.462   9.789   0.310
  270   1HB   SER  40          1HB       SER  40  -1.928  11.330   1.575
  271   2HB   SER  40          2HB       SER  40  -2.442   9.666   1.769
  272    HG   SER  40           HG       SER  40  -0.594  10.417   3.713
  273    H    ARG  41           H        ARG  41   2.111   9.332   2.037
  274    HA   ARG  41           HA       ARG  41   2.814  11.714   3.202
  275   1HB   ARG  41          1HB       ARG  41   3.989   9.270   2.975
  276   2HB   ARG  41          2HB       ARG  41   4.939  10.124   1.774
  277   1HG   ARG  41          1HG       ARG  41   4.587  11.666   4.280
  278   2HG   ARG  41          2HG       ARG  41   5.406  10.137   4.528
  279   1HD   ARG  41          1HD       ARG  41   7.271  11.348   3.926
  280   2HD   ARG  41          2HD       ARG  41   6.738  10.975   2.299
  281    HE   ARG  41           HE       ARG  41   6.100  13.217   2.003
  282   1HH1  ARG  41          1HH1      ARG  41   6.665  12.594   5.420
  283   2HH1  ARG  41          2HH1      ARG  41   6.559  14.263   5.873
  284   1HH2  ARG  41          1HH2      ARG  41   5.960  15.419   2.600
  285   2HH2  ARG  41          2HH2      ARG  41   6.156  15.880   4.258
  286    H    ILE  42           H        ILE  42   3.378  10.465  -0.160
  287    HA   ILE  42           HA       ILE  42   3.539  13.218  -1.072
  288    HB   ILE  42           HB       ILE  42   5.561  12.091  -2.519
  289   1HG1  ILE  42          1HG1      ILE  42   7.132  11.109  -0.873
  290   2HG1  ILE  42          2HG1      ILE  42   5.864  11.113   0.336
  291   1HG2  ILE  42          1HG2      ILE  42   5.241  14.107  -0.435
  292   2HG2  ILE  42          2HG2      ILE  42   6.874  13.399  -0.463
  293   3HG2  ILE  42          3HG2      ILE  42   6.201  14.143  -1.934
  294   1HD1  ILE  42          1HD1      ILE  42   5.035   9.859  -2.218
  295   2HD1  ILE  42          2HD1      ILE  42   6.386   9.027  -1.410
  296   3HD1  ILE  42          3HD1      ILE  42   4.847   9.270  -0.549
  297    HA   PRO  43           HA       PRO  43   1.144  11.360  -4.163
  298   1HB   PRO  43          1HB       PRO  43   0.923  13.479  -5.875
  299   2HB   PRO  43          2HB       PRO  43  -0.085  13.285  -4.455
  300   1HG   PRO  43          1HG       PRO  43   2.190  15.125  -4.874
  301   2HG   PRO  43          2HG       PRO  43   0.925  15.202  -3.664
  302   1HD   PRO  43          1HD       PRO  43   3.629  14.332  -3.267
  303   2HD   PRO  43          2HD       PRO  43   2.334  14.299  -2.087
  304    H    GLY  44           H        GLY  44   4.067  13.050  -5.073
  305   1HA   GLY  44          1HA       GLY  44   5.745  12.294  -6.404
  306   2HA   GLY  44          2HA       GLY  44   4.484  12.360  -7.619
  307    H    VAL  45           H        VAL  45   4.824  10.127  -4.784
  308    HA   VAL  45           HA       VAL  45   5.407   7.945  -6.613
  309    HB   VAL  45           HB       VAL  45   6.250   6.832  -4.811
  310   1HG1  VAL  45          1HG1      VAL  45   7.098   9.376  -5.089
  311   2HG1  VAL  45          2HG1      VAL  45   6.576   9.424  -3.388
  312   3HG1  VAL  45          3HG1      VAL  45   7.795   8.237  -3.912
  313   1HG2  VAL  45          1HG2      VAL  45   4.150   8.265  -3.200
  314   2HG2  VAL  45          2HG2      VAL  45   4.454   6.519  -3.371
  315   3HG2  VAL  45          3HG2      VAL  45   5.550   7.522  -2.390
  316    HA   PRO  46           HA       PRO  46   1.453   6.211  -6.375
  317   1HB   PRO  46          1HB       PRO  46   1.863   3.524  -6.091
  318   2HB   PRO  46          2HB       PRO  46   2.038   4.364  -7.619
  319   1HG   PRO  46          1HG       PRO  46   4.144   3.345  -5.812
  320   2HG   PRO  46          2HG       PRO  46   4.269   3.791  -7.502
  321   1HD   PRO  46          1HD       PRO  46   5.163   5.327  -5.251
  322   2HD   PRO  46          2HD       PRO  46   5.182   5.823  -6.932
  323    H    TRP  47           H        TRP  47   0.559   7.267  -4.600
  324    HA   TRP  47           HA       TRP  47   0.929   6.913  -2.034
  325   1HB   TRP  47          1HB       TRP  47  -1.574   7.189  -3.626
  326   2HB   TRP  47          2HB       TRP  47  -1.732   6.834  -1.917
  327    HD1  TRP  47           HD1      TRP  47   1.157   9.110  -3.031
  328    HE1  TRP  47           HE1      TRP  47   0.808  11.589  -2.195
  329    HE3  TRP  47           HE3      TRP  47  -3.588   8.427  -1.335
  330    HZ2  TRP  47           HZ2      TRP  47  -1.364  12.955  -0.947
  331    HZ3  TRP  47           HZ3      TRP  47  -4.752  10.385  -0.322
  332    HH2  TRP  47           HH2      TRP  47  -3.716  12.589  -0.114
  333    H    CYS  48           H        CYS  48  -1.064   4.623  -4.043
  334    HA   CYS  48           HA       CYS  48  -0.938   2.714  -1.865
  335   1HB   CYS  48          1HB       CYS  48  -3.040   3.306  -3.252
  336   2HB   CYS  48          2HB       CYS  48  -2.337   2.290  -4.495
  337    H    PHE  49           H        PHE  49   0.853   1.399  -1.813
  338    HA   PHE  49           HA       PHE  49   1.825   0.399  -4.388
  339   1HB   PHE  49          1HB       PHE  49   4.147   0.594  -3.196
  340   2HB   PHE  49          2HB       PHE  49   3.425   2.099  -3.731
  341    HD1  PHE  49           HD1      PHE  49   3.685  -0.092  -0.730
  342    HD2  PHE  49           HD2      PHE  49   3.148   3.844  -2.220
  343    HE1  PHE  49           HE1      PHE  49   3.840   0.813   1.606
  344    HE2  PHE  49           HE2      PHE  49   3.303   4.750   0.116
  345    HZ   PHE  49           HZ       PHE  49   3.647   3.223   2.001
  346    H    LYS  50           H        LYS  50   3.339  -1.566  -4.027
  347    HA   LYS  50           HA       LYS  50   1.911  -3.435  -2.457
  348   1HB   LYS  50          1HB       LYS  50   4.464  -3.560  -4.071
  349   2HB   LYS  50          2HB       LYS  50   3.863  -4.937  -3.169
  350   1HG   LYS  50          1HG       LYS  50   1.569  -4.112  -4.488
  351   2HG   LYS  50          2HG       LYS  50   2.804  -3.700  -5.660
  352   1HD   LYS  50          1HD       LYS  50   3.484  -6.292  -4.644
  353   2HD   LYS  50          2HD       LYS  50   1.761  -6.322  -4.965
  354   1HE   LYS  50          1HE       LYS  50   2.787  -4.988  -7.207
  355   2HE   LYS  50          2HE       LYS  50   4.022  -6.184  -6.867
  356   1HZ   LYS  50          1HZ       LYS  50   1.355  -7.191  -6.690
  357   2HZ   LYS  50          2HZ       LYS  50   1.763  -6.674  -8.185
  358   3HZ   LYS  50          3HZ       LYS  50   2.659  -7.821  -7.445
  359    HA   PRO  51           HA       PRO  51   4.120  -3.315   1.248
  360   1HB   PRO  51          1HB       PRO  51   4.232  -5.928   2.041
  361   2HB   PRO  51          2HB       PRO  51   2.801  -4.932   2.220
  362   1HG   PRO  51          1HG       PRO  51   3.332  -7.080   0.259
  363   2HG   PRO  51          2HG       PRO  51   1.796  -6.379   0.730
  364   1HD   PRO  51          1HD       PRO  51   3.253  -5.856  -1.685
  365   2HD   PRO  51          2HD       PRO  51   1.777  -5.070  -1.160
  366    H    LEU  52           H        LEU  52   6.139  -2.684   1.631
  367    HA   LEU  52           HA       LEU  52   8.238  -3.146   0.109
  368   1HB   LEU  52          1HB       LEU  52   8.477  -1.676   1.896
  369   2HB   LEU  52          2HB       LEU  52   8.027  -2.879   3.088
  370    HG   LEU  52           HG       LEU  52  10.588  -3.042   1.486
  371   1HD1  LEU  52          1HD1      LEU  52   9.912  -1.360   3.820
  372   2HD1  LEU  52          2HD1      LEU  52  11.421  -2.294   3.953
  373   3HD1  LEU  52          3HD1      LEU  52  11.185  -1.174   2.590
  374   1HD2  LEU  52          1HD2      LEU  52   9.272  -4.828   3.276
  375   2HD2  LEU  52          2HD2      LEU  52  10.844  -5.014   2.461
  376   3HD2  LEU  52          3HD2      LEU  52  10.757  -4.242   4.063
  377    H    GLN  53           H        GLN  53   9.731  -4.729  -0.404
  378    HA   GLN  53           HA       GLN  53   8.919  -7.356  -0.022
  379   1HB   GLN  53          1HB       GLN  53  11.189  -5.932  -1.294
  380   2HB   GLN  53          2HB       GLN  53  11.588  -7.548  -0.746
  381   1HG   GLN  53          1HG       GLN  53  10.648  -8.281  -2.686
  382   2HG   GLN  53          2HG       GLN  53   9.101  -7.943  -1.934
  383   2HE2  GLN  53          2HE2      GLN  53   8.750  -5.366  -1.893
  384   1HE2  GLN  53          1HE2      GLN  53   8.823  -4.626  -3.457
  385    H    GLU  54           H        GLU  54   8.644  -7.437   2.358
  386    HA   GLU  54           HA       GLU  54  10.537  -6.942   4.198
  387   1HB   GLU  54          1HB       GLU  54   9.279  -8.292   5.676
  388   2HB   GLU  54          2HB       GLU  54   8.108  -7.802   4.469
  389   1HG   GLU  54          1HG       GLU  54   8.728 -10.012   3.226
  390   2HG   GLU  54          2HG       GLU  54   9.517 -10.489   4.716
  391    H    ALA  55           H        ALA  55  12.631  -7.587   4.411
  392    HA   ALA  55           HA       ALA  55  13.238 -10.386   3.817
  393   1HB   ALA  55          1HB       ALA  55  15.480  -8.877   2.993
  394   2HB   ALA  55          2HB       ALA  55  14.356  -9.791   1.959
  395   3HB   ALA  55          3HB       ALA  55  14.066  -8.064   2.280
  396    H    GLU  56           H        GLU  56  14.841  -7.290   4.869
  397    HA   GLU  56           HA       GLU  56  15.067  -8.070   7.504
  398   1HB   GLU  56          1HB       GLU  56  17.458  -8.658   7.674
  399   2HB   GLU  56          2HB       GLU  56  16.603  -9.817   6.675
  400   1HG   GLU  56          1HG       GLU  56  18.212  -9.438   5.110
  401   2HG   GLU  56          2HG       GLU  56  17.396  -7.919   4.800
  402    H    CYS  57           H        CYS  57  16.896  -6.636   8.644
  403    HA   CYS  57           HA       CYS  57  16.718  -4.042   7.324
  404   1HB   CYS  57          1HB       CYS  57  16.642  -4.961  10.119
  405   2HB   CYS  57          2HB       CYS  57  17.637  -3.542   9.856
  406    H    THR  58           H        THR  58  18.621  -2.844   6.871
  407    HA   THR  58           HA       THR  58  21.157  -4.155   7.574
  408    HB   THR  58           HB       THR  58  20.390  -4.662   5.189
  409    HG1  THR  58           HG1      THR  58  22.664  -4.525   5.834
  410   1HG2  THR  58          1HG2      THR  58  19.726  -1.933   5.119
  411   2HG2  THR  58          2HG2      THR  58  21.286  -2.000   4.264
  412   3HG2  THR  58          3HG2      THR  58  19.916  -2.985   3.696
  413    H    PHE  59           H        PHE  59  23.058  -2.646   7.343
  414    HA   PHE  59           HA       PHE  59  24.064  -0.816   8.054
  415   1HB   PHE  59          1HB       PHE  59  23.178   0.043   5.888
  416   2HB   PHE  59          2HB       PHE  59  21.615   0.361   6.614
  417    HD1  PHE  59           HD1      PHE  59  25.167   1.417   6.661
  418    HD2  PHE  59           HD2      PHE  59  21.165   2.426   7.651
  419    HE1  PHE  59           HE1      PHE  59  25.888   3.763   7.188
  420    HE2  PHE  59           HE2      PHE  59  21.887   4.771   8.177
  421    HZ   PHE  59           HZ       PHE  59  24.240   5.412   7.939

  No H/Q in entry =         421
  Start of MODEL   22
    1    H    GLU   1           H        GLU   1  12.744  -9.379  19.079
    2    HA   GLU   1           HA       GLU   1  11.357  -7.811  21.056
    3   1HB   GLU   1          1HB       GLU   1  14.055  -7.488  19.678
    4   2HB   GLU   1          2HB       GLU   1  13.422  -6.323  20.824
    5   1HG   GLU   1          1HG       GLU   1  13.588  -9.264  21.564
    6   2HG   GLU   1          2HG       GLU   1  15.004  -8.240  21.692
    7    H    GLU   2           H        GLU   2  12.440  -7.612  17.613
    8    HA   GLU   2           HA       GLU   2  10.570  -5.389  17.339
    9   1HB   GLU   2          1HB       GLU   2  13.375  -5.734  16.349
   10   2HB   GLU   2          2HB       GLU   2  12.250  -4.978  15.238
   11   1HG   GLU   2          1HG       GLU   2  11.640  -3.662  17.598
   12   2HG   GLU   2          2HG       GLU   2  13.356  -3.949  17.804
   13    H    TYR   3           H        TYR   3   8.905  -5.738  15.920
   14    HA   TYR   3           HA       TYR   3   9.198  -7.141  13.513
   15   1HB   TYR   3          1HB       TYR   3   9.338  -9.008  15.300
   16   2HB   TYR   3          2HB       TYR   3   7.737  -8.541  15.838
   17    HD1  TYR   3           HD1      TYR   3   9.545  -9.651  12.746
   18    HD2  TYR   3           HD2      TYR   3   5.870  -9.613  14.937
   19    HE1  TYR   3           HE1      TYR   3   8.506 -11.229  11.045
   20    HE2  TYR   3           HE2      TYR   3   4.843 -11.192  13.228
   21    HH   TYR   3           HH       TYR   3   5.227 -11.730  10.820
   22    H    VAL   4           H        VAL   4   7.641  -6.330  12.195
   23    HA   VAL   4           HA       VAL   4   5.042  -5.732  13.377
   24    HB   VAL   4           HB       VAL   4   6.939  -3.795  12.101
   25   1HG1  VAL   4          1HG1      VAL   4   4.902  -3.790  10.687
   26   2HG1  VAL   4          2HG1      VAL   4   3.920  -3.458  12.134
   27   3HG1  VAL   4          3HG1      VAL   4   5.120  -2.265  11.580
   28   1HG2  VAL   4          1HG2      VAL   4   6.354  -4.133  14.663
   29   2HG2  VAL   4          2HG2      VAL   4   6.600  -2.510  13.976
   30   3HG2  VAL   4          3HG2      VAL   4   4.950  -3.125  14.239
   31    H    GLY   5           H        GLY   5   3.311  -5.667  11.786
   32   1HA   GLY   5          1HA       GLY   5   3.364  -7.646   9.902
   33   2HA   GLY   5          2HA       GLY   5   3.880  -6.217   9.029
   34    H    LEU   6           H        LEU   6   2.285  -4.386  10.865
   35    HA   LEU   6           HA       LEU   6  -0.316  -4.941   9.632
   36   1HB   LEU   6          1HB       LEU   6  -1.392  -4.078  11.687
   37   2HB   LEU   6          2HB       LEU   6  -0.595  -5.629  11.871
   38    HG   LEU   6           HG       LEU   6   1.082  -3.304  12.581
   39   1HD1  LEU   6          1HD1      LEU   6  -1.468  -2.943  13.343
   40   2HD1  LEU   6          2HD1      LEU   6  -0.903  -3.965  14.686
   41   3HD1  LEU   6          3HD1      LEU   6  -0.071  -2.434  14.321
   42   1HD2  LEU   6          1HD2      LEU   6   1.490  -5.854  12.894
   43   2HD2  LEU   6          2HD2      LEU   6   1.957  -4.722  14.186
   44   3HD2  LEU   6          3HD2      LEU   6   0.454  -5.665  14.329
   45    H    SER   7           H        SER   7  -0.012  -3.468   7.952
   46    HA   SER   7           HA       SER   7   0.397  -1.546   6.970
   47   1HB   SER   7          1HB       SER   7  -1.146   0.237   7.616
   48   2HB   SER   7          2HB       SER   7  -1.944  -1.313   7.795
   49    HG   SER   7           HG       SER   7  -1.903  -1.151   9.992
   50    H    ALA   8           H        ALA   8   2.644  -1.152   7.220
   51    HA   ALA   8           HA       ALA   8   3.545   1.133   8.221
   52   1HB   ALA   8          1HB       ALA   8   3.205  -0.866  10.438
   53   2HB   ALA   8          2HB       ALA   8   2.999   0.902  10.458
   54   3HB   ALA   8          3HB       ALA   8   4.633   0.196  10.465
   55    H    ASN   9           H        ASN   9   5.139  -1.710   9.640
   56    HA   ASN   9           HA       ASN   9   7.503  -1.356   8.481
   57   1HB   ASN   9          1HB       ASN   9   6.831  -3.125  10.213
   58   2HB   ASN   9          2HB       ASN   9   6.237  -4.114   8.893
   59   2HD2  ASN   9          2HD2      ASN   9   8.622  -4.000  10.924
   60   1HD2  ASN   9          1HD2      ASN   9   9.986  -4.505   9.982
   61    H    GLN  10           H        GLN  10   4.735  -3.349   7.219
   62    HA   GLN  10           HA       GLN  10   6.079  -4.168   4.914
   63   1HB   GLN  10          1HB       GLN  10   3.798  -4.846   4.134
   64   2HB   GLN  10          2HB       GLN  10   4.157  -5.405   5.756
   65   1HG   GLN  10          1HG       GLN  10   2.946  -2.732   5.813
   66   2HG   GLN  10          2HG       GLN  10   1.925  -3.863   4.948
   67   2HE2  GLN  10          2HE2      GLN  10   3.094  -2.805   7.960
   68   1HE2  GLN  10          1HE2      GLN  10   2.333  -3.970   8.991
   69    H    CYS  11           H        CYS  11   4.255  -1.257   5.795
   70    HA   CYS  11           HA       CYS  11   4.464  -0.362   3.015
   71   1HB   CYS  11          1HB       CYS  11   2.796   1.140   4.961
   72   2HB   CYS  11          2HB       CYS  11   2.567   0.874   3.244
   73    H    ALA  12           H        ALA  12   6.822  -0.424   4.520
   74    HA   ALA  12           HA       ALA  12   7.139   2.387   5.325
   75   1HB   ALA  12          1HB       ALA  12   9.187   0.473   6.228
   76   2HB   ALA  12          2HB       ALA  12   7.557   0.102   6.839
   77   3HB   ALA  12          3HB       ALA  12   8.282   1.697   7.151
   78    H    VAL  13           H        VAL  13   7.168   2.052   2.655
   79    HA   VAL  13           HA       VAL  13   9.897   1.457   1.848
   80    HB   VAL  13           HB       VAL  13   7.949   2.437  -0.130
   81   1HG1  VAL  13          1HG1      VAL  13  10.183   0.551   0.085
   82   2HG1  VAL  13          2HG1      VAL  13   8.819  -0.087  -0.864
   83   3HG1  VAL  13          3HG1      VAL  13   9.577   1.457  -1.323
   84   1HG2  VAL  13          1HG2      VAL  13   7.376   0.011   1.575
   85   2HG2  VAL  13          2HG2      VAL  13   6.280   1.325   1.084
   86   3HG2  VAL  13          3HG2      VAL  13   6.812   0.117  -0.110
   87    HA   PRO  14           HA       PRO  14  11.015   5.627   1.688
   88   1HB   PRO  14          1HB       PRO  14  13.039   5.576  -0.147
   89   2HB   PRO  14          2HB       PRO  14  13.250   5.099   1.526
   90   1HG   PRO  14          1HG       PRO  14  13.060   3.390  -0.879
   91   2HG   PRO  14          2HG       PRO  14  13.683   2.986   0.708
   92   1HD   PRO  14          1HD       PRO  14  11.138   2.232  -0.378
   93   2HD   PRO  14          2HD       PRO  14  11.715   1.928   1.248
   94    H    ALA  15           H        ALA  15   9.271   4.208  -0.640
   95    HA   ALA  15           HA       ALA  15   7.806   5.237  -2.014
   96   1HB   ALA  15          1HB       ALA  15   9.348   7.776  -2.288
   97   2HB   ALA  15          2HB       ALA  15   8.678   7.425  -0.677
   98   3HB   ALA  15          3HB       ALA  15   7.598   7.515  -2.089
   99    H    LYS  16           H        LYS  16  11.324   5.340  -2.327
  100    HA   LYS  16           HA       LYS  16  11.158   5.460  -5.218
  101   1HB   LYS  16          1HB       LYS  16  13.589   5.534  -5.134
  102   2HB   LYS  16          2HB       LYS  16  12.896   6.740  -4.069
  103   1HG   LYS  16          1HG       LYS  16  14.352   5.860  -2.529
  104   2HG   LYS  16          2HG       LYS  16  13.097   4.657  -2.310
  105   1HD   LYS  16          1HD       LYS  16  15.107   3.404  -2.653
  106   2HD   LYS  16          2HD       LYS  16  14.235   3.290  -4.169
  107   1HE   LYS  16          1HE       LYS  16  15.610   5.177  -5.092
  108   2HE   LYS  16          2HE       LYS  16  16.489   5.270  -3.580
  109   1HZ   LYS  16          1HZ       LYS  16  16.338   2.734  -5.010
  110   2HZ   LYS  16          2HZ       LYS  16  17.419   3.866  -5.473
  111   3HZ   LYS  16          3HZ       LYS  16  17.476   3.253  -3.961
  112    H    ASP  17           H        ASP  17  10.295   3.167  -3.128
  113    HA   ASP  17           HA       ASP  17  11.435   1.088  -4.818
  114   1HB   ASP  17          1HB       ASP  17  11.818   1.448  -1.999
  115   2HB   ASP  17          2HB       ASP  17  10.739   0.080  -2.179
  116    H    ARG  18           H        ARG  18   8.809   2.741  -4.606
  117    HA   ARG  18           HA       ARG  18   6.893   0.919  -3.624
  118   1HB   ARG  18          1HB       ARG  18   6.358   3.239  -5.532
  119   2HB   ARG  18          2HB       ARG  18   5.258   2.556  -4.352
  120   1HG   ARG  18          1HG       ARG  18   7.890   3.719  -3.409
  121   2HG   ARG  18          2HG       ARG  18   6.577   4.805  -3.818
  122   1HD   ARG  18          1HD       ARG  18   5.287   2.886  -2.251
  123   2HD   ARG  18          2HD       ARG  18   6.861   2.991  -1.488
  124    HE   ARG  18           HE       ARG  18   5.548   5.575  -2.099
  125   1HH1  ARG  18          1HH1      ARG  18   6.256   3.102   0.303
  126   2HH1  ARG  18          2HH1      ARG  18   5.927   4.138   1.652
  127   1HH2  ARG  18          1HH2      ARG  18   5.115   6.942  -0.320
  128   2HH2  ARG  18          2HH2      ARG  18   5.274   6.337   1.296
  129    H    VAL  19           H        VAL  19   5.591  -0.558  -4.787
  130    HA   VAL  19           HA       VAL  19   6.478  -1.051  -7.522
  131    HB   VAL  19           HB       VAL  19   4.798  -2.741  -5.660
  132   1HG1  VAL  19          1HG1      VAL  19   5.633  -3.006  -8.461
  133   2HG1  VAL  19          2HG1      VAL  19   6.065  -4.413  -7.460
  134   3HG1  VAL  19          3HG1      VAL  19   4.372  -3.873  -7.552
  135   1HG2  VAL  19          1HG2      VAL  19   7.347  -2.120  -5.126
  136   2HG2  VAL  19          2HG2      VAL  19   6.671  -3.737  -4.814
  137   3HG2  VAL  19          3HG2      VAL  19   7.632  -3.443  -6.283
  138    H    ASP  20           H        ASP  20   4.152   0.744  -5.914
  139    HA   ASP  20           HA       ASP  20   2.210   1.569  -6.424
  140   1HB   ASP  20          1HB       ASP  20   3.214   2.570  -8.337
  141   2HB   ASP  20          2HB       ASP  20   3.376   1.038  -9.171
  142    H    CYS  21           H        CYS  21   0.553   0.197  -5.676
  143    HA   CYS  21           HA       CYS  21   0.107  -2.351  -6.792
  144   1HB   CYS  21          1HB       CYS  21  -0.503  -1.231  -4.438
  145   2HB   CYS  21          2HB       CYS  21  -2.040  -0.988  -5.245
  146    H    GLY  22           H        GLY  22  -0.951   0.950  -7.479
  147   1HA   GLY  22          1HA       GLY  22  -2.163   0.175  -9.935
  148   2HA   GLY  22          2HA       GLY  22  -2.107   1.779  -9.230
  149    H    TYR  23           H        TYR  23  -3.777   2.473  -7.740
  150    HA   TYR  23           HA       TYR  23  -6.231   0.914  -8.078
  151   1HB   TYR  23          1HB       TYR  23  -4.706   1.786  -5.605
  152   2HB   TYR  23          2HB       TYR  23  -6.449   1.956  -5.526
  153    HD1  TYR  23           HD1      TYR  23  -7.765  -0.250  -6.404
  154    HD2  TYR  23           HD2      TYR  23  -3.802  -0.186  -4.793
  155    HE1  TYR  23           HE1      TYR  23  -7.970  -2.707  -5.782
  156    HE2  TYR  23           HE2      TYR  23  -4.020  -2.643  -4.176
  157    HH   TYR  23           HH       TYR  23  -6.057  -4.187  -3.633
  158    HA   PRO  24           HA       PRO  24  -7.866   4.844  -8.862
  159   1HB   PRO  24          1HB       PRO  24 -10.538   4.353  -8.566
  160   2HB   PRO  24          2HB       PRO  24  -9.644   3.950 -10.019
  161   1HG   PRO  24          1HG       PRO  24 -10.617   2.153  -7.883
  162   2HG   PRO  24          2HG       PRO  24 -10.114   1.749  -9.512
  163   1HD   PRO  24          1HD       PRO  24  -8.607   1.356  -7.103
  164   2HD   PRO  24          2HD       PRO  24  -8.060   1.061  -8.741
  165    H    HIS  25           H        HIS  25 -10.027   3.627  -6.353
  166    HA   HIS  25           HA       HIS  25  -9.664   6.166  -5.010
  167   1HB   HIS  25          1HB       HIS  25 -11.616   5.633  -3.781
  168   2HB   HIS  25          2HB       HIS  25 -11.928   5.185  -5.446
  169    HD1  HIS  25           HD1      HIS  25 -13.530   3.933  -3.082
  170    HD2  HIS  25           HD2      HIS  25 -10.153   2.189  -4.857
  171    HE1  HIS  25           HE1      HIS  25 -13.680   1.432  -2.599
  172    HE2  HIS  25           HE2      HIS  25 -11.607   0.407  -3.761
  173    H    VAL  26           H        VAL  26  -7.463   5.892  -4.292
  174    HA   VAL  26           HA       VAL  26  -7.030   3.697  -2.422
  175    HB   VAL  26           HB       VAL  26  -4.675   4.486  -2.519
  176   1HG1  VAL  26          1HG1      VAL  26  -5.453   2.672  -3.965
  177   2HG1  VAL  26          2HG1      VAL  26  -5.966   3.853  -5.195
  178   3HG1  VAL  26          3HG1      VAL  26  -4.240   3.669  -4.803
  179   1HG2  VAL  26          1HG2      VAL  26  -5.840   6.801  -3.656
  180   2HG2  VAL  26          2HG2      VAL  26  -4.114   6.463  -3.383
  181   3HG2  VAL  26          3HG2      VAL  26  -4.868   6.040  -4.939
  182    H    THR  27           H        THR  27  -7.395   4.003  -0.292
  183    HA   THR  27           HA       THR  27  -6.979   6.717   0.762
  184    HB   THR  27           HB       THR  27  -9.081   6.628   1.899
  185    HG1  THR  27           HG1      THR  27 -10.094   4.548   2.188
  186   1HG2  THR  27          1HG2      THR  27  -9.106   6.162  -0.898
  187   2HG2  THR  27          2HG2      THR  27 -10.242   4.967  -0.227
  188   3HG2  THR  27          3HG2      THR  27 -10.483   6.702   0.092
  189    HA   PRO  28           HA       PRO  28  -4.857   4.822   3.976
  190   1HB   PRO  28          1HB       PRO  28  -5.558   6.227   6.213
  191   2HB   PRO  28          2HB       PRO  28  -4.409   6.820   5.030
  192   1HG   PRO  28          1HG       PRO  28  -7.212   7.651   5.470
  193   2HG   PRO  28          2HG       PRO  28  -5.938   8.495   4.611
  194   1HD   PRO  28          1HD       PRO  28  -8.118   7.036   3.450
  195   2HD   PRO  28          2HD       PRO  28  -6.782   7.781   2.595
  196    H    LYS  29           H        LYS  29  -7.177   3.404   3.224
  197    HA   LYS  29           HA       LYS  29  -7.282   1.615   5.348
  198   1HB   LYS  29          1HB       LYS  29  -8.620   3.682   6.245
  199   2HB   LYS  29          2HB       LYS  29  -9.895   3.097   5.195
  200   1HG   LYS  29          1HG       LYS  29  -8.605   0.975   6.837
  201   2HG   LYS  29          2HG       LYS  29  -9.433   2.201   7.776
  202   1HD   LYS  29          1HD       LYS  29 -10.814   0.967   5.375
  203   2HD   LYS  29          2HD       LYS  29 -10.771   0.092   6.893
  204   1HE   LYS  29          1HE       LYS  29 -11.506   2.847   7.433
  205   2HE   LYS  29          2HE       LYS  29 -12.525   2.239   6.144
  206   1HZ   LYS  29          1HZ       LYS  29 -12.177   0.354   8.237
  207   2HZ   LYS  29          2HZ       LYS  29 -12.854   1.742   8.766
  208   3HZ   LYS  29          3HZ       LYS  29 -13.555   0.903   7.553
  209    H    GLU  30           H        GLU  30  -8.888   3.122   2.518
  210    HA   GLU  30           HA       GLU  30 -10.182   0.693   1.824
  211   1HB   GLU  30          1HB       GLU  30 -11.034   3.015   1.269
  212   2HB   GLU  30          2HB       GLU  30  -9.725   3.177   0.114
  213   1HG   GLU  30          1HG       GLU  30 -10.846   1.961  -1.442
  214   2HG   GLU  30          2HG       GLU  30 -11.096   0.641  -0.316
  215    H    CYS  31           H        CYS  31  -7.235   2.496   0.804
  216    HA   CYS  31           HA       CYS  31  -6.632   0.834  -1.364
  217   1HB   CYS  31          1HB       CYS  31  -5.505   2.806  -1.493
  218   2HB   CYS  31          2HB       CYS  31  -5.210   2.896   0.232
  219    H    ASN  32           H        ASN  32  -5.972   0.746   2.162
  220    HA   ASN  32           HA       ASN  32  -4.200  -1.470   1.880
  221   1HB   ASN  32          1HB       ASN  32  -3.574  -0.814   3.978
  222   2HB   ASN  32          2HB       ASN  32  -4.751   0.480   3.871
  223   2HD2  ASN  32          2HD2      ASN  32  -7.081  -0.262   4.247
  224   1HD2  ASN  32          1HD2      ASN  32  -7.362  -1.286   5.615
  225    H    ASN  33           H        ASN  33  -7.538  -1.027   1.685
  226    HA   ASN  33           HA       ASN  33  -8.169  -3.471   3.101
  227   1HB   ASN  33          1HB       ASN  33  -9.702  -1.634   3.556
  228   2HB   ASN  33          2HB       ASN  33  -9.865  -1.257   1.852
  229   2HD2  ASN  33          2HD2      ASN  33 -11.285  -2.324   0.598
  230   1HD2  ASN  33          1HD2      ASN  33 -12.390  -3.538   1.150
  231    H    ARG  34           H        ARG  34  -8.180  -1.874  -0.130
  232    HA   ARG  34           HA       ARG  34  -9.571  -3.783  -1.514
  233   1HB   ARG  34          1HB       ARG  34  -8.392  -1.398  -2.148
  234   2HB   ARG  34          2HB       ARG  34  -7.233  -2.484  -2.889
  235   1HG   ARG  34          1HG       ARG  34  -9.081  -1.783  -4.453
  236   2HG   ARG  34          2HG       ARG  34  -8.957  -3.521  -4.263
  237   1HD   ARG  34          1HD       ARG  34 -10.997  -3.689  -3.205
  238   2HD   ARG  34          2HD       ARG  34 -10.761  -2.216  -2.286
  239    HE   ARG  34           HE       ARG  34 -11.084  -1.403  -4.967
  240   1HH1  ARG  34          1HH1      ARG  34 -12.986  -3.098  -2.540
  241   2HH1  ARG  34          2HH1      ARG  34 -14.507  -2.569  -3.178
  242   1HH2  ARG  34          1HH2      ARG  34 -13.090  -0.705  -5.809
  243   2HH2  ARG  34          2HH2      ARG  34 -14.566  -1.199  -5.050
  244    H    GLY  35           H        GLY  35  -6.285  -3.777  -0.226
  245   1HA   GLY  35          1HA       GLY  35  -5.747  -6.332  -1.623
  246   2HA   GLY  35          2HA       GLY  35  -5.385  -6.050   0.069
  247    H    CYS  36           H        CYS  36  -3.905  -4.084   0.550
  248    HA   CYS  36           HA       CYS  36  -1.483  -4.448  -0.602
  249   1HB   CYS  36          1HB       CYS  36  -3.105  -3.085  -2.453
  250   2HB   CYS  36          2HB       CYS  36  -2.045  -1.865  -1.775
  251    H    CYS  37           H        CYS  37  -0.580  -1.628  -0.578
  252    HA   CYS  37           HA       CYS  37  -1.282  -0.950   2.186
  253   1HB   CYS  37          1HB       CYS  37   1.376  -1.187   0.854
  254   2HB   CYS  37          2HB       CYS  37   1.163   0.095   2.030
  255    H    PHE  38           H        PHE  38  -1.320   1.381   2.640
  256    HA   PHE  38           HA       PHE  38  -1.612   2.958   0.181
  257   1HB   PHE  38          1HB       PHE  38  -3.716   2.644   1.459
  258   2HB   PHE  38          2HB       PHE  38  -2.910   3.029   2.966
  259    HD1  PHE  38           HD1      PHE  38  -4.186   4.442  -0.186
  260    HD2  PHE  38           HD2      PHE  38  -2.582   5.298   3.649
  261    HE1  PHE  38           HE1      PHE  38  -4.847   6.849  -0.447
  262    HE2  PHE  38           HE2      PHE  38  -3.244   7.705   3.388
  263    HZ   PHE  38           HZ       PHE  38  -4.369   8.452   1.344
  264    H    ASP  39           H        ASP  39  -1.394   5.458   0.755
  265    HA   ASP  39           HA       ASP  39   0.205   6.204   2.870
  266   1HB   ASP  39          1HB       ASP  39   2.004   4.924   1.815
  267   2HB   ASP  39          2HB       ASP  39   1.679   5.656   0.256
  268    H    SER  40           H        SER  40   0.348   8.534   2.864
  269    HA   SER  40           HA       SER  40  -0.476   9.797   0.373
  270   1HB   SER  40          1HB       SER  40  -1.913  11.354   1.644
  271   2HB   SER  40          2HB       SER  40  -2.437   9.697   1.867
  272    HG   SER  40           HG       SER  40  -1.076  11.425   3.713
  273    H    ARG  41           H        ARG  41   2.112   9.314   2.071
  274    HA   ARG  41           HA       ARG  41   2.863  11.683   3.225
  275   1HB   ARG  41          1HB       ARG  41   4.010   9.224   2.946
  276   2HB   ARG  41          2HB       ARG  41   4.953  10.094   1.752
  277   1HG   ARG  41          1HG       ARG  41   6.134  11.208   3.349
  278   2HG   ARG  41          2HG       ARG  41   4.681  11.668   4.213
  279   1HD   ARG  41          1HD       ARG  41   5.043  10.066   5.784
  280   2HD   ARG  41          2HD       ARG  41   5.101   8.815   4.559
  281    HE   ARG  41           HE       ARG  41   7.570  10.237   4.458
  282   1HH1  ARG  41          1HH1      ARG  41   5.814   8.097   6.631
  283   2HH1  ARG  41          2HH1      ARG  41   7.246   7.459   7.366
  284   1HH2  ARG  41          1HH2      ARG  41   9.460   9.395   5.428
  285   2HH2  ARG  41          2HH2      ARG  41   9.334   8.202   6.678
  286    H    ILE  42           H        ILE  42   3.428  10.434  -0.143
  287    HA   ILE  42           HA       ILE  42   3.567  13.194  -1.050
  288    HB   ILE  42           HB       ILE  42   5.567  12.058  -2.525
  289   1HG1  ILE  42          1HG1      ILE  42   7.151  11.066  -0.900
  290   2HG1  ILE  42          2HG1      ILE  42   5.899  11.078   0.326
  291   1HG2  ILE  42          1HG2      ILE  42   5.349  14.334  -1.398
  292   2HG2  ILE  42          2HG2      ILE  42   6.082  13.573   0.035
  293   3HG2  ILE  42          3HG2      ILE  42   6.982  13.632  -1.500
  294   1HD1  ILE  42          1HD1      ILE  42   5.016   9.831  -2.209
  295   2HD1  ILE  42          2HD1      ILE  42   6.386   8.994  -1.441
  296   3HD1  ILE  42          3HD1      ILE  42   4.871   9.234  -0.538
  297    HA   PRO  43           HA       PRO  43   1.125  11.362  -4.120
  298   1HB   PRO  43          1HB       PRO  43   0.894  13.490  -5.819
  299   2HB   PRO  43          2HB       PRO  43  -0.098  13.294  -4.388
  300   1HG   PRO  43          1HG       PRO  43   2.181  15.125  -4.826
  301   2HG   PRO  43          2HG       PRO  43   0.932  15.202  -3.600
  302   1HD   PRO  43          1HD       PRO  43   3.636  14.317  -3.241
  303   2HD   PRO  43          2HD       PRO  43   2.355  14.286  -2.045
  304    H    GLY  44           H        GLY  44   4.038  13.054  -5.069
  305   1HA   GLY  44          1HA       GLY  44   5.696  12.302  -6.427
  306   2HA   GLY  44          2HA       GLY  44   4.415  12.360  -7.621
  307    H    VAL  45           H        VAL  45   4.869  10.140  -4.787
  308    HA   VAL  45           HA       VAL  45   5.421   7.955  -6.614
  309    HB   VAL  45           HB       VAL  45   6.297   6.861  -4.822
  310   1HG1  VAL  45          1HG1      VAL  45   7.110   9.409  -5.088
  311   2HG1  VAL  45          2HG1      VAL  45   6.562   9.464  -3.396
  312   3HG1  VAL  45          3HG1      VAL  45   7.807   8.291  -3.890
  313   1HG2  VAL  45          1HG2      VAL  45   4.213   8.277  -3.159
  314   2HG2  VAL  45          2HG2      VAL  45   4.454   6.532  -3.413
  315   3HG2  VAL  45          3HG2      VAL  45   5.597   7.451  -2.404
  316    HA   PRO  46           HA       PRO  46   1.488   6.178  -6.333
  317   1HB   PRO  46          1HB       PRO  46   1.917   3.502  -5.981
  318   2HB   PRO  46          2HB       PRO  46   2.090   4.305  -7.529
  319   1HG   PRO  46          1HG       PRO  46   4.199   3.347  -5.693
  320   2HG   PRO  46          2HG       PRO  46   4.325   3.753  -7.393
  321   1HD   PRO  46          1HD       PRO  46   5.201   5.350  -5.177
  322   2HD   PRO  46          2HD       PRO  46   5.221   5.804  -6.870
  323    H    TRP  47           H        TRP  47   0.534   7.239  -4.608
  324    HA   TRP  47           HA       TRP  47   0.920   6.946  -2.020
  325   1HB   TRP  47          1HB       TRP  47  -1.555   7.239  -3.640
  326   2HB   TRP  47          2HB       TRP  47  -1.754   6.869  -1.938
  327    HD1  TRP  47           HD1      TRP  47   1.160   9.145  -3.010
  328    HE1  TRP  47           HE1      TRP  47   0.820  11.613  -2.143
  329    HE3  TRP  47           HE3      TRP  47  -3.586   8.455  -1.321
  330    HZ2  TRP  47           HZ2      TRP  47  -1.348  12.970  -0.876
  331    HZ3  TRP  47           HZ3      TRP  47  -4.743  10.403  -0.282
  332    HH2  TRP  47           HH2      TRP  47  -3.701  12.601  -0.046
  333    H    CYS  48           H        CYS  48  -1.014   4.619  -4.036
  334    HA   CYS  48           HA       CYS  48  -0.940   2.749  -1.815
  335   1HB   CYS  48          1HB       CYS  48  -3.037   3.312  -3.191
  336   2HB   CYS  48          2HB       CYS  48  -2.325   2.333  -4.458
  337    H    PHE  49           H        PHE  49   0.868   1.458  -1.726
  338    HA   PHE  49           HA       PHE  49   1.855   0.408  -4.276
  339   1HB   PHE  49          1HB       PHE  49   4.165   0.616  -3.066
  340   2HB   PHE  49          2HB       PHE  49   3.449   2.116  -3.621
  341    HD1  PHE  49           HD1      PHE  49   3.621  -0.053  -0.593
  342    HD2  PHE  49           HD2      PHE  49   3.221   3.881  -2.135
  343    HE1  PHE  49           HE1      PHE  49   3.756   0.874   1.736
  344    HE2  PHE  49           HE2      PHE  49   3.357   4.807   0.194
  345    HZ   PHE  49           HZ       PHE  49   3.623   3.293   2.101
  346    H    LYS  50           H        LYS  50   3.293  -1.581  -3.920
  347    HA   LYS  50           HA       LYS  50   1.867  -3.397  -2.287
  348   1HB   LYS  50          1HB       LYS  50   4.399  -3.622  -3.931
  349   2HB   LYS  50          2HB       LYS  50   3.722  -4.969  -3.038
  350   1HG   LYS  50          1HG       LYS  50   1.482  -4.004  -4.364
  351   2HG   LYS  50          2HG       LYS  50   2.747  -3.672  -5.530
  352   1HD   LYS  50          1HD       LYS  50   3.279  -6.293  -4.527
  353   2HD   LYS  50          2HD       LYS  50   1.550  -6.230  -4.808
  354   1HE   LYS  50          1HE       LYS  50   2.560  -4.968  -7.082
  355   2HE   LYS  50          2HE       LYS  50   3.778  -6.186  -6.765
  356   1HZ   LYS  50          1HZ       LYS  50   1.238  -7.299  -6.429
  357   2HZ   LYS  50          2HZ       LYS  50   1.302  -6.563  -7.885
  358   3HZ   LYS  50          3HZ       LYS  50   2.397  -7.712  -7.502
  359    HA   PRO  51           HA       PRO  51   4.174  -3.268   1.357
  360   1HB   PRO  51          1HB       PRO  51   4.232  -5.869   2.195
  361   2HB   PRO  51          2HB       PRO  51   2.835  -4.829   2.392
  362   1HG   PRO  51          1HG       PRO  51   3.253  -7.026   0.458
  363   2HG   PRO  51          2HG       PRO  51   1.751  -6.272   0.956
  364   1HD   PRO  51          1HD       PRO  51   3.157  -5.834  -1.505
  365   2HD   PRO  51          2HD       PRO  51   1.719  -4.997  -0.956
  366    H    LEU  52           H        LEU  52   6.216  -2.638   1.582
  367    HA   LEU  52           HA       LEU  52   8.251  -3.248   0.027
  368   1HB   LEU  52          1HB       LEU  52   8.421  -1.671   1.818
  369   2HB   LEU  52          2HB       LEU  52   8.278  -2.932   3.027
  370    HG   LEU  52           HG       LEU  52  10.597  -2.633   1.097
  371   1HD1  LEU  52          1HD1      LEU  52  10.387  -1.899   4.031
  372   2HD1  LEU  52          2HD1      LEU  52  11.882  -1.890   3.065
  373   3HD1  LEU  52          3HD1      LEU  52  10.553  -0.777   2.659
  374   1HD2  LEU  52          1HD2      LEU  52   9.813  -4.734   3.016
  375   2HD2  LEU  52          2HD2      LEU  52  10.866  -4.811   1.583
  376   3HD2  LEU  52          3HD2      LEU  52  11.507  -4.196   3.126
  377    H    GLN  53           H        GLN  53   9.502  -4.955  -0.580
  378    HA   GLN  53           HA       GLN  53   8.702  -7.505   0.172
  379   1HB   GLN  53          1HB       GLN  53  10.678  -8.258  -1.150
  380   2HB   GLN  53          2HB       GLN  53   9.728  -7.057  -2.002
  381   1HG   GLN  53          1HG       GLN  53  11.773  -5.775  -0.334
  382   2HG   GLN  53          2HG       GLN  53  12.500  -6.938  -1.425
  383   2HE2  GLN  53          2HE2      GLN  53  11.073  -3.878  -1.066
  384   1HE2  GLN  53          1HE2      GLN  53  11.055  -3.369  -2.722
  385    H    GLU  54           H        GLU  54   8.792  -7.305   2.572
  386    HA   GLU  54           HA       GLU  54  10.972  -6.733   4.033
  387   1HB   GLU  54          1HB       GLU  54   9.882  -7.782   5.827
  388   2HB   GLU  54          2HB       GLU  54   8.556  -7.456   4.729
  389   1HG   GLU  54          1HG       GLU  54   8.892  -9.819   3.782
  390   2HG   GLU  54          2HG       GLU  54  10.021 -10.108   5.091
  391    H    ALA  55           H        ALA  55  13.038  -7.495   4.061
  392    HA   ALA  55           HA       ALA  55  13.453 -10.356   3.844
  393   1HB   ALA  55          1HB       ALA  55  14.826 -10.291   1.941
  394   2HB   ALA  55          2HB       ALA  55  13.493  -9.196   1.503
  395   3HB   ALA  55          3HB       ALA  55  15.051  -8.528   2.043
  396    H    GLU  56           H        GLU  56  15.268 -11.029   5.007
  397    HA   GLU  56           HA       GLU  56  17.326  -9.268   5.681
  398   1HB   GLU  56          1HB       GLU  56  15.058  -8.891   7.280
  399   2HB   GLU  56          2HB       GLU  56  16.058  -9.950   8.254
  400   1HG   GLU  56          1HG       GLU  56  17.663  -8.342   8.600
  401   2HG   GLU  56          2HG       GLU  56  17.568  -7.744   6.955
  402    H    CYS  57           H        CYS  57  18.958 -10.351   7.133
  403    HA   CYS  57           HA       CYS  57  18.468 -13.090   7.787
  404   1HB   CYS  57          1HB       CYS  57  18.970 -13.188   5.344
  405   2HB   CYS  57          2HB       CYS  57  20.543 -12.488   5.670
  406    H    THR  58           H        THR  58  21.225 -10.861   6.923
  407    HA   THR  58           HA       THR  58  22.002 -10.823   9.734
  408    HB   THR  58           HB       THR  58  23.762 -11.792   7.422
  409    HG1  THR  58           HG1      THR  58  23.649 -13.716   8.754
  410   1HG2  THR  58          1HG2      THR  58  24.769 -10.304   9.450
  411   2HG2  THR  58          2HG2      THR  58  24.604 -11.850  10.318
  412   3HG2  THR  58          3HG2      THR  58  25.612 -11.754   8.854
  413    H    PHE  59           H        PHE  59  23.068  -8.958  10.378
  414    HA   PHE  59           HA       PHE  59  22.452  -6.629   9.276
  415   1HB   PHE  59          1HB       PHE  59  24.020  -7.507  11.335
  416   2HB   PHE  59          2HB       PHE  59  25.306  -7.029  10.244
  417    HD1  PHE  59           HD1      PHE  59  22.468  -5.821  12.239
  418    HD2  PHE  59           HD2      PHE  59  25.753  -4.709   9.793
  419    HE1  PHE  59           HE1      PHE  59  22.236  -3.443  13.008
  420    HE2  PHE  59           HE2      PHE  59  25.520  -2.331  10.562
  421    HZ   PHE  59           HZ       PHE  59  23.765  -1.726  12.161

  No H/Q in entry =         421
  Start of MODEL   23
    1    H    GLU   1           H        GLU   1   5.663 -11.160  24.342
    2    HA   GLU   1           HA       GLU   1   6.919  -9.838  23.054
    3   1HB   GLU   1          1HB       GLU   1   5.882 -12.120  21.772
    4   2HB   GLU   1          2HB       GLU   1   5.763 -10.864  20.556
    5   1HG   GLU   1          1HG       GLU   1   7.950 -11.680  20.222
    6   2HG   GLU   1          2HG       GLU   1   8.227 -10.265  21.218
    7    H    GLU   2           H        GLU   2   3.595  -9.937  21.578
    8    HA   GLU   2           HA       GLU   2   2.401  -8.421  20.578
    9   1HB   GLU   2          1HB       GLU   2   3.599  -7.046  22.891
   10   2HB   GLU   2          2HB       GLU   2   3.122  -5.925  21.631
   11   1HG   GLU   2          1HG       GLU   2   0.863  -6.410  21.849
   12   2HG   GLU   2          2HG       GLU   2   1.148  -8.089  22.263
   13    H    TYR   3           H        TYR   3   2.908  -8.264  18.419
   14    HA   TYR   3           HA       TYR   3   4.435  -6.040  17.547
   15   1HB   TYR   3          1HB       TYR   3   5.967  -8.196  18.283
   16   2HB   TYR   3          2HB       TYR   3   5.511  -8.752  16.686
   17    HD1  TYR   3           HD1      TYR   3   5.824  -6.865  14.770
   18    HD2  TYR   3           HD2      TYR   3   7.958  -7.024  18.475
   19    HE1  TYR   3           HE1      TYR   3   7.698  -5.477  13.758
   20    HE2  TYR   3           HE2      TYR   3   9.825  -5.635  17.450
   21    HH   TYR   3           HH       TYR   3   9.865  -4.909  14.034
   22    H    VAL   4           H        VAL   4   3.980  -5.542  15.386
   23    HA   VAL   4           HA       VAL   4   3.104  -7.397  13.505
   24    HB   VAL   4           HB       VAL   4   1.164  -7.664  14.922
   25   1HG1  VAL   4          1HG1      VAL   4   1.282  -4.703  15.028
   26   2HG1  VAL   4          2HG1      VAL   4  -0.346  -5.408  14.895
   27   3HG1  VAL   4          3HG1      VAL   4   0.720  -5.877  16.241
   28   1HG2  VAL   4          1HG2      VAL   4   1.090  -6.747  12.194
   29   2HG2  VAL   4          2HG2      VAL   4   0.051  -7.940  13.010
   30   3HG2  VAL   4          3HG2      VAL   4  -0.382  -6.214  13.041
   31    H    GLY   5           H        GLY   5   3.334  -6.450  11.515
   32   1HA   GLY   5          1HA       GLY   5   4.182  -4.807  10.167
   33   2HA   GLY   5          2HA       GLY   5   4.072  -3.648  11.476
   34    H    LEU   6           H        LEU   6   1.156  -4.633  11.977
   35    HA   LEU   6           HA       LEU   6  -0.540  -4.418   9.959
   36   1HB   LEU   6          1HB       LEU   6  -0.674  -4.157  12.691
   37   2HB   LEU   6          2HB       LEU   6  -1.271  -2.603  12.143
   38    HG   LEU   6           HG       LEU   6  -2.432  -4.945  10.754
   39   1HD1  LEU   6          1HD1      LEU   6  -2.113  -5.298  13.444
   40   2HD1  LEU   6          2HD1      LEU   6  -3.711  -4.517  13.369
   41   3HD1  LEU   6          3HD1      LEU   6  -3.410  -6.018  12.460
   42   1HD2  LEU   6          1HD2      LEU   6  -3.214  -2.224  11.616
   43   2HD2  LEU   6          2HD2      LEU   6  -3.602  -3.123  10.130
   44   3HD2  LEU   6          3HD2      LEU   6  -4.506  -3.448  11.629
   45    H    SER   7           H        SER   7  -0.081  -3.272   8.111
   46    HA   SER   7           HA       SER   7   0.488  -1.573   6.839
   47   1HB   SER   7          1HB       SER   7  -1.093   0.329   6.960
   48   2HB   SER   7          2HB       SER   7  -1.921  -1.201   7.172
   49    HG   SER   7           HG       SER   7  -2.119   0.857   8.773
   50    H    ALA   8           H        ALA   8   2.687  -1.129   7.363
   51    HA   ALA   8           HA       ALA   8   3.360   1.389   8.118
   52   1HB   ALA   8          1HB       ALA   8   2.945  -0.434  10.461
   53   2HB   ALA   8          2HB       ALA   8   2.715   1.326  10.329
   54   3HB   ALA   8          3HB       ALA   8   4.354   0.652  10.496
   55    H    ASN   9           H        ASN   9   4.644  -1.750   9.420
   56    HA   ASN   9           HA       ASN   9   7.217  -1.223   8.609
   57   1HB   ASN   9          1HB       ASN   9   6.806  -2.940  10.275
   58   2HB   ASN   9          2HB       ASN   9   5.729  -3.821   9.209
   59   2HD2  ASN   9          2HD2      ASN   9   7.260  -5.533   9.976
   60   1HD2  ASN   9          1HD2      ASN   9   8.665  -5.860   9.017
   61    H    GLN  10           H        GLN  10   4.678  -3.421   7.181
   62    HA   GLN  10           HA       GLN  10   6.193  -4.119   4.964
   63   1HB   GLN  10          1HB       GLN  10   3.956  -4.852   4.017
   64   2HB   GLN  10          2HB       GLN  10   4.329  -5.498   5.603
   65   1HG   GLN  10          1HG       GLN  10   3.039  -3.080   6.197
   66   2HG   GLN  10          2HG       GLN  10   2.166  -3.656   4.791
   67   2HE2  GLN  10          2HE2      GLN  10   3.429  -4.660   7.946
   68   1HE2  GLN  10          1HE2      GLN  10   2.185  -5.799   8.338
   69    H    CYS  11           H        CYS  11   4.304  -1.257   5.750
   70    HA   CYS  11           HA       CYS  11   4.532  -0.390   2.962
   71   1HB   CYS  11          1HB       CYS  11   2.830   1.126   4.865
   72   2HB   CYS  11          2HB       CYS  11   2.617   0.819   3.153
   73    H    ALA  12           H        ALA  12   6.866  -0.421   4.525
   74    HA   ALA  12           HA       ALA  12   7.144   2.394   5.328
   75   1HB   ALA  12          1HB       ALA  12   9.233   0.502   6.186
   76   2HB   ALA  12          2HB       ALA  12   7.615   0.098   6.807
   77   3HB   ALA  12          3HB       ALA  12   8.318   1.700   7.133
   78    H    VAL  13           H        VAL  13   7.151   2.024   2.635
   79    HA   VAL  13           HA       VAL  13   9.886   1.518   1.806
   80    HB   VAL  13           HB       VAL  13   7.893   2.488  -0.137
   81   1HG1  VAL  13          1HG1      VAL  13  10.192   0.687   0.008
   82   2HG1  VAL  13          2HG1      VAL  13   8.833  -0.013  -0.904
   83   3HG1  VAL  13          3HG1      VAL  13   9.508   1.563  -1.383
   84   1HG2  VAL  13          1HG2      VAL  13   7.396   0.045   1.559
   85   2HG2  VAL  13          2HG2      VAL  13   6.258   1.311   1.039
   86   3HG2  VAL  13          3HG2      VAL  13   6.847   0.108  -0.133
   87    HA   PRO  14           HA       PRO  14  10.926   5.711   1.713
   88   1HB   PRO  14          1HB       PRO  14  12.983   5.706  -0.087
   89   2HB   PRO  14          2HB       PRO  14  13.173   5.225   1.588
   90   1HG   PRO  14          1HG       PRO  14  13.057   3.524  -0.828
   91   2HG   PRO  14          2HG       PRO  14  13.660   3.124   0.768
   92   1HD   PRO  14          1HD       PRO  14  11.148   2.329  -0.367
   93   2HD   PRO  14          2HD       PRO  14  11.702   2.028   1.268
   94    H    ALA  15           H        ALA  15   9.263   4.265  -0.665
   95    HA   ALA  15           HA       ALA  15   7.814   5.252  -2.078
   96   1HB   ALA  15          1HB       ALA  15   8.559   7.448  -0.670
   97   2HB   ALA  15          2HB       ALA  15   9.242   7.862  -2.261
   98   3HB   ALA  15          3HB       ALA  15   7.503   7.517  -2.101
   99    H    LYS  16           H        LYS  16  11.253   5.080  -2.248
  100    HA   LYS  16           HA       LYS  16  11.236   5.453  -5.142
  101   1HB   LYS  16          1HB       LYS  16  13.683   5.420  -4.936
  102   2HB   LYS  16          2HB       LYS  16  12.956   6.656  -3.930
  103   1HG   LYS  16          1HG       LYS  16  14.666   5.512  -2.620
  104   2HG   LYS  16          2HG       LYS  16  13.098   5.102  -1.953
  105   1HD   LYS  16          1HD       LYS  16  13.182   2.895  -2.719
  106   2HD   LYS  16          2HD       LYS  16  14.189   3.293  -4.097
  107   1HE   LYS  16          1HE       LYS  16  16.173   3.492  -2.710
  108   2HE   LYS  16          2HE       LYS  16  15.228   3.456  -1.235
  109   1HZ   LYS  16          1HZ       LYS  16  14.530   1.183  -2.521
  110   2HZ   LYS  16          2HZ       LYS  16  16.131   1.297  -2.822
  111   3HZ   LYS  16          3HZ       LYS  16  15.589   1.292  -1.282
  112    H    ASP  17           H        ASP  17  10.375   3.077  -3.061
  113    HA   ASP  17           HA       ASP  17  11.445   1.055  -4.865
  114   1HB   ASP  17          1HB       ASP  17  12.630   0.664  -2.834
  115   2HB   ASP  17          2HB       ASP  17  11.243   1.060  -1.839
  116    H    ARG  18           H        ARG  18   8.850   2.697  -4.629
  117    HA   ARG  18           HA       ARG  18   6.914   0.927  -3.610
  118   1HB   ARG  18          1HB       ARG  18   6.429   3.204  -5.584
  119   2HB   ARG  18          2HB       ARG  18   5.296   2.556  -4.415
  120   1HG   ARG  18          1HG       ARG  18   7.925   3.722  -3.456
  121   2HG   ARG  18          2HG       ARG  18   6.609   4.798  -3.884
  122   1HD   ARG  18          1HD       ARG  18   5.304   2.913  -2.306
  123   2HD   ARG  18          2HD       ARG  18   6.879   2.989  -1.541
  124    HE   ARG  18           HE       ARG  18   5.639   5.603  -2.154
  125   1HH1  ARG  18          1HH1      ARG  18   6.209   3.094   0.247
  126   2HH1  ARG  18          2HH1      ARG  18   5.878   4.130   1.595
  127   1HH2  ARG  18          1HH2      ARG  18   5.203   6.970  -0.376
  128   2HH2  ARG  18          2HH2      ARG  18   5.302   6.350   1.238
  129    H    VAL  19           H        VAL  19   5.547  -0.534  -4.737
  130    HA   VAL  19           HA       VAL  19   6.446  -1.152  -7.444
  131    HB   VAL  19           HB       VAL  19   4.593  -2.789  -5.730
  132   1HG1  VAL  19          1HG1      VAL  19   5.881  -3.094  -8.301
  133   2HG1  VAL  19          2HG1      VAL  19   6.402  -4.384  -7.191
  134   3HG1  VAL  19          3HG1      VAL  19   4.669  -4.132  -7.510
  135   1HG2  VAL  19          1HG2      VAL  19   7.511  -2.316  -5.370
  136   2HG2  VAL  19          2HG2      VAL  19   6.263  -2.762  -4.182
  137   3HG2  VAL  19          3HG2      VAL  19   6.947  -4.001  -5.262
  138    H    ASP  20           H        ASP  20   4.108   0.694  -5.858
  139    HA   ASP  20           HA       ASP  20   2.190   1.547  -6.412
  140   1HB   ASP  20          1HB       ASP  20   3.246   2.524  -8.313
  141   2HB   ASP  20          2HB       ASP  20   3.389   0.985  -9.140
  142    H    CYS  21           H        CYS  21   0.522   0.178  -5.672
  143    HA   CYS  21           HA       CYS  21   0.057  -2.354  -6.831
  144   1HB   CYS  21          1HB       CYS  21  -0.523  -1.267  -4.445
  145   2HB   CYS  21          2HB       CYS  21  -2.070  -1.030  -5.232
  146    H    GLY  22           H        GLY  22  -0.888   0.956  -7.513
  147   1HA   GLY  22          1HA       GLY  22  -2.157   0.263  -9.942
  148   2HA   GLY  22          2HA       GLY  22  -2.100   1.844  -9.188
  149    H    TYR  23           H        TYR  23  -3.794   2.531  -7.757
  150    HA   TYR  23           HA       TYR  23  -6.232   0.950  -8.092
  151   1HB   TYR  23          1HB       TYR  23  -4.719   1.821  -5.610
  152   2HB   TYR  23          2HB       TYR  23  -6.463   1.973  -5.535
  153    HD1  TYR  23           HD1      TYR  23  -7.750  -0.244  -6.439
  154    HD2  TYR  23           HD2      TYR  23  -3.800  -0.144  -4.798
  155    HE1  TYR  23           HE1      TYR  23  -7.931  -2.707  -5.833
  156    HE2  TYR  23           HE2      TYR  23  -3.995  -2.607  -4.197
  157    HH   TYR  23           HH       TYR  23  -6.454  -4.575  -5.439
  158    HA   PRO  24           HA       PRO  24  -7.884   4.877  -8.861
  159   1HB   PRO  24          1HB       PRO  24 -10.555   4.362  -8.596
  160   2HB   PRO  24          2HB       PRO  24  -9.644   3.980 -10.043
  161   1HG   PRO  24          1HG       PRO  24 -10.624   2.155  -7.934
  162   2HG   PRO  24          2HG       PRO  24 -10.101   1.771  -9.562
  163   1HD   PRO  24          1HD       PRO  24  -8.615   1.367  -7.143
  164   2HD   PRO  24          2HD       PRO  24  -8.050   1.091  -8.778
  165    H    HIS  25           H        HIS  25 -10.009   3.584  -6.354
  166    HA   HIS  25           HA       HIS  25  -9.705   6.127  -4.995
  167   1HB   HIS  25          1HB       HIS  25 -11.636   5.505  -3.733
  168   2HB   HIS  25          2HB       HIS  25 -11.956   5.181  -5.425
  169    HD1  HIS  25           HD1      HIS  25 -13.660   3.735  -3.366
  170    HD2  HIS  25           HD2      HIS  25 -10.063   2.172  -4.855
  171    HE1  HIS  25           HE1      HIS  25 -13.776   1.210  -3.011
  172    HE2  HIS  25           HE2      HIS  25 -11.562   0.300  -3.995
  173    H    VAL  26           H        VAL  26  -7.523   5.911  -4.237
  174    HA   VAL  26           HA       VAL  26  -7.069   3.699  -2.384
  175    HB   VAL  26           HB       VAL  26  -4.717   4.479  -2.488
  176   1HG1  VAL  26          1HG1      VAL  26  -6.020   3.870  -5.163
  177   2HG1  VAL  26          2HG1      VAL  26  -4.289   3.694  -4.790
  178   3HG1  VAL  26          3HG1      VAL  26  -5.488   2.681  -3.950
  179   1HG2  VAL  26          1HG2      VAL  26  -5.659   6.869  -3.300
  180   2HG2  VAL  26          2HG2      VAL  26  -4.004   6.307  -3.638
  181   3HG2  VAL  26          3HG2      VAL  26  -5.266   6.156  -4.883
  182    H    THR  27           H        THR  27  -6.962   3.990  -0.191
  183    HA   THR  27           HA       THR  27  -6.636   6.683   0.848
  184    HB   THR  27           HB       THR  27  -8.767   6.810   1.861
  185    HG1  THR  27           HG1      THR  27  -9.925   4.802   2.274
  186   1HG2  THR  27          1HG2      THR  27  -9.193   5.104  -0.647
  187   2HG2  THR  27          2HG2      THR  27 -10.510   5.896   0.251
  188   3HG2  THR  27          3HG2      THR  27  -9.262   6.880  -0.551
  189    HA   PRO  28           HA       PRO  28  -4.745   4.625   4.107
  190   1HB   PRO  28          1HB       PRO  28  -5.448   6.015   6.352
  191   2HB   PRO  28          2HB       PRO  28  -4.231   6.573   5.222
  192   1HG   PRO  28          1HG       PRO  28  -7.001   7.538   5.590
  193   2HG   PRO  28          2HG       PRO  28  -5.658   8.333   4.792
  194   1HD   PRO  28          1HD       PRO  28  -7.869   7.016   3.527
  195   2HD   PRO  28          2HD       PRO  28  -6.468   7.709   2.733
  196    H    LYS  29           H        LYS  29  -7.110   3.348   3.246
  197    HA   LYS  29           HA       LYS  29  -7.376   1.513   5.313
  198   1HB   LYS  29          1HB       LYS  29  -8.629   3.645   6.217
  199   2HB   LYS  29          2HB       LYS  29  -9.910   3.116   5.146
  200   1HG   LYS  29          1HG       LYS  29  -8.838   0.842   6.643
  201   2HG   LYS  29          2HG       LYS  29  -9.321   2.119   7.742
  202   1HD   LYS  29          1HD       LYS  29 -11.179   1.336   5.482
  203   2HD   LYS  29          2HD       LYS  29 -11.097   0.323   6.909
  204   1HE   LYS  29          1HE       LYS  29 -12.646   1.747   7.795
  205   2HE   LYS  29          2HE       LYS  29 -11.300   2.839   8.052
  206   1HZ   LYS  29          1HZ       LYS  29 -12.924   2.774   5.604
  207   2HZ   LYS  29          2HZ       LYS  29 -13.128   3.840   6.824
  208   3HZ   LYS  29          3HZ       LYS  29 -11.747   3.851   5.953
  209    H    GLU  30           H        GLU  30  -8.901   3.198   2.527
  210    HA   GLU  30           HA       GLU  30 -10.255   0.838   1.720
  211   1HB   GLU  30          1HB       GLU  30 -11.187   3.052   1.213
  212   2HB   GLU  30          2HB       GLU  30  -9.753   3.494   0.308
  213   1HG   GLU  30          1HG       GLU  30 -10.433   2.359  -1.558
  214   2HG   GLU  30          2HG       GLU  30 -10.935   0.956  -0.635
  215    H    CYS  31           H        CYS  31  -7.173   2.487   0.972
  216    HA   CYS  31           HA       CYS  31  -6.635   0.873  -1.305
  217   1HB   CYS  31          1HB       CYS  31  -5.547   2.877  -1.447
  218   2HB   CYS  31          2HB       CYS  31  -5.183   2.945   0.266
  219    H    ASN  32           H        ASN  32  -6.176   0.721   2.212
  220    HA   ASN  32           HA       ASN  32  -4.294  -1.431   1.970
  221   1HB   ASN  32          1HB       ASN  32  -5.658  -0.498   4.534
  222   2HB   ASN  32          2HB       ASN  32  -4.098  -1.280   4.376
  223   2HD2  ASN  32          2HD2      ASN  32  -5.930   1.658   3.829
  224   1HD2  ASN  32          1HD2      ASN  32  -4.599   2.761   3.729
  225    H    ASN  33           H        ASN  33  -7.621  -1.047   1.675
  226    HA   ASN  33           HA       ASN  33  -8.258  -3.487   3.098
  227   1HB   ASN  33          1HB       ASN  33  -9.800  -1.609   3.472
  228   2HB   ASN  33          2HB       ASN  33  -9.985  -1.351   1.748
  229   2HD2  ASN  33          2HD2      ASN  33 -11.053  -2.929   0.470
  230   1HD2  ASN  33          1HD2      ASN  33 -12.236  -3.995   1.150
  231    H    ARG  34           H        ARG  34  -8.279  -1.895  -0.144
  232    HA   ARG  34           HA       ARG  34  -9.587  -3.820  -1.554
  233   1HB   ARG  34          1HB       ARG  34  -8.391  -1.441  -2.169
  234   2HB   ARG  34          2HB       ARG  34  -7.208  -2.530  -2.866
  235   1HG   ARG  34          1HG       ARG  34  -9.042  -1.820  -4.471
  236   2HG   ARG  34          2HG       ARG  34  -8.858  -3.556  -4.313
  237   1HD   ARG  34          1HD       ARG  34 -10.882  -3.817  -3.192
  238   2HD   ARG  34          2HD       ARG  34 -10.781  -2.252  -2.411
  239    HE   ARG  34           HE       ARG  34 -11.147  -2.147  -5.335
  240   1HH1  ARG  34          1HH1      ARG  34 -12.712  -2.152  -2.183
  241   2HH1  ARG  34          2HH1      ARG  34 -14.174  -1.428  -2.765
  242   1HH2  ARG  34          1HH2      ARG  34 -13.076  -1.192  -6.103
  243   2HH2  ARG  34          2HH2      ARG  34 -14.382  -0.878  -5.010
  244    H    GLY  35           H        GLY  35  -6.322  -3.793  -0.197
  245   1HA   GLY  35          1HA       GLY  35  -5.774  -6.384  -1.520
  246   2HA   GLY  35          2HA       GLY  35  -5.407  -6.040   0.159
  247    H    CYS  36           H        CYS  36  -3.903  -4.101   0.583
  248    HA   CYS  36           HA       CYS  36  -1.500  -4.495  -0.602
  249   1HB   CYS  36          1HB       CYS  36  -3.134  -3.154  -2.447
  250   2HB   CYS  36          2HB       CYS  36  -2.082  -1.917  -1.789
  251    H    CYS  37           H        CYS  37  -0.571  -1.687  -0.614
  252    HA   CYS  37           HA       CYS  37  -1.214  -0.989   2.160
  253   1HB   CYS  37          1HB       CYS  37   1.409  -1.204   0.751
  254   2HB   CYS  37          2HB       CYS  37   1.216   0.066   1.943
  255    H    PHE  38           H        PHE  38  -1.217   1.353   2.607
  256    HA   PHE  38           HA       PHE  38  -1.574   2.922   0.150
  257   1HB   PHE  38          1HB       PHE  38  -3.669   2.584   1.435
  258   2HB   PHE  38          2HB       PHE  38  -2.861   2.972   2.940
  259    HD1  PHE  38           HD1      PHE  38  -4.075   4.403  -0.242
  260    HD2  PHE  38           HD2      PHE  38  -2.642   5.220   3.668
  261    HE1  PHE  38           HE1      PHE  38  -4.761   6.804  -0.493
  262    HE2  PHE  38           HE2      PHE  38  -3.328   7.622   3.417
  263    HZ   PHE  38           HZ       PHE  38  -4.380   8.385   1.340
  264    H    ASP  39           H        ASP  39  -1.379   5.422   0.727
  265    HA   ASP  39           HA       ASP  39   0.226   6.177   2.838
  266   1HB   ASP  39          1HB       ASP  39   2.045   4.946   1.787
  267   2HB   ASP  39          2HB       ASP  39   1.678   5.627   0.215
  268    H    SER  40           H        SER  40   0.424   8.519   2.812
  269    HA   SER  40           HA       SER  40  -0.439   9.788   0.345
  270   1HB   SER  40          1HB       SER  40  -1.928  11.302   1.601
  271   2HB   SER  40          2HB       SER  40  -2.421   9.633   1.810
  272    HG   SER  40           HG       SER  40  -1.875   9.675   3.914
  273    H    ARG  41           H        ARG  41   2.133   9.331   2.062
  274    HA   ARG  41           HA       ARG  41   2.805  11.736   3.230
  275   1HB   ARG  41          1HB       ARG  41   3.977   9.277   3.071
  276   2HB   ARG  41          2HB       ARG  41   4.968  10.122   1.899
  277   1HG   ARG  41          1HG       ARG  41   4.512  11.658   4.401
  278   2HG   ARG  41          2HG       ARG  41   5.369  10.150   4.648
  279   1HD   ARG  41          1HD       ARG  41   6.762  11.006   2.500
  280   2HD   ARG  41          2HD       ARG  41   6.206  12.572   3.057
  281    HE   ARG  41           HE       ARG  41   7.593  12.386   4.946
  282   1HH1  ARG  41          1HH1      ARG  41   7.350   9.263   3.343
  283   2HH1  ARG  41          2HH1      ARG  41   8.598   8.533   4.296
  284   1HH2  ARG  41          1HH2      ARG  41   9.240  11.423   6.204
  285   2HH2  ARG  41          2HH2      ARG  41   9.681   9.770   5.934
  286    H    ILE  42           H        ILE  42   3.391  10.420  -0.097
  287    HA   ILE  42           HA       ILE  42   3.636  13.153  -1.049
  288    HB   ILE  42           HB       ILE  42   5.632  11.929  -2.465
  289   1HG1  ILE  42          1HG1      ILE  42   7.166  10.958  -0.775
  290   2HG1  ILE  42          2HG1      ILE  42   5.884  11.022   0.418
  291   1HG2  ILE  42          1HG2      ILE  42   5.358  14.013  -0.439
  292   2HG2  ILE  42          2HG2      ILE  42   6.971  13.260  -0.442
  293   3HG2  ILE  42          3HG2      ILE  42   6.323  13.981  -1.935
  294   1HD1  ILE  42          1HD1      ILE  42   5.050   9.725  -2.110
  295   2HD1  ILE  42          2HD1      ILE  42   6.376   8.883  -1.273
  296   3HD1  ILE  42          3HD1      ILE  42   4.838   9.180  -0.429
  297    HA   PRO  43           HA       PRO  43   1.166  11.275  -4.079
  298   1HB   PRO  43          1HB       PRO  43   0.837  13.431  -5.726
  299   2HB   PRO  43          2HB       PRO  43  -0.130  13.167  -4.288
  300   1HG   PRO  43          1HG       PRO  43   2.076  15.089  -4.712
  301   2HG   PRO  43          2HG       PRO  43   0.839  15.093  -3.469
  302   1HD   PRO  43          1HD       PRO  43   3.579  14.300  -3.162
  303   2HD   PRO  43          2HD       PRO  43   2.315  14.195  -1.952
  304    H    GLY  44           H        GLY  44   4.037  13.047  -4.979
  305   1HA   GLY  44          1HA       GLY  44   5.692  12.403  -6.387
  306   2HA   GLY  44          2HA       GLY  44   4.398  12.439  -7.568
  307    H    VAL  45           H        VAL  45   4.651  10.155  -4.793
  308    HA   VAL  45           HA       VAL  45   5.367   8.031  -6.664
  309    HB   VAL  45           HB       VAL  45   6.284   6.924  -4.903
  310   1HG1  VAL  45          1HG1      VAL  45   7.074   9.455  -5.121
  311   2HG1  VAL  45          2HG1      VAL  45   6.453   9.536  -3.454
  312   3HG1  VAL  45          3HG1      VAL  45   7.733   8.372  -3.872
  313   1HG2  VAL  45          1HG2      VAL  45   4.115   8.190  -3.247
  314   2HG2  VAL  45          2HG2      VAL  45   4.522   6.470  -3.465
  315   3HG2  VAL  45          3HG2      VAL  45   5.558   7.509  -2.457
  316    HA   PRO  46           HA       PRO  46   1.477   6.158  -6.389
  317   1HB   PRO  46          1HB       PRO  46   1.961   3.490  -6.054
  318   2HB   PRO  46          2HB       PRO  46   2.118   4.306  -7.597
  319   1HG   PRO  46          1HG       PRO  46   4.245   3.379  -5.765
  320   2HG   PRO  46          2HG       PRO  46   4.364   3.798  -7.463
  321   1HD   PRO  46          1HD       PRO  46   5.206   5.399  -5.237
  322   2HD   PRO  46          2HD       PRO  46   5.218   5.864  -6.926
  323    H    TRP  47           H        TRP  47   0.574   7.238  -4.624
  324    HA   TRP  47           HA       TRP  47   0.951   6.906  -2.051
  325   1HB   TRP  47          1HB       TRP  47  -1.540   7.193  -3.653
  326   2HB   TRP  47          2HB       TRP  47  -1.717   6.824  -1.950
  327    HD1  TRP  47           HD1      TRP  47   1.187   9.103  -3.022
  328    HE1  TRP  47           HE1      TRP  47   0.839  11.574  -2.166
  329    HE3  TRP  47           HE3      TRP  47  -3.569   8.415  -1.361
  330    HZ2  TRP  47           HZ2      TRP  47  -1.338  12.934  -0.918
  331    HZ3  TRP  47           HZ3      TRP  47  -4.735  10.366  -0.336
  332    HH2  TRP  47           HH2      TRP  47  -3.696  12.566  -0.103
  333    H    CYS  48           H        CYS  48  -1.042   4.609  -4.051
  334    HA   CYS  48           HA       CYS  48  -0.940   2.714  -1.861
  335   1HB   CYS  48          1HB       CYS  48  -3.017   3.303  -3.302
  336   2HB   CYS  48          2HB       CYS  48  -2.295   2.251  -4.504
  337    H    PHE  49           H        PHE  49   0.864   1.418  -1.771
  338    HA   PHE  49           HA       PHE  49   1.860   0.377  -4.319
  339   1HB   PHE  49          1HB       PHE  49   4.175   0.616  -3.132
  340   2HB   PHE  49          2HB       PHE  49   3.438   2.110  -3.678
  341    HD1  PHE  49           HD1      PHE  49   3.661  -0.062  -0.655
  342    HD2  PHE  49           HD2      PHE  49   3.208   3.870  -2.186
  343    HE1  PHE  49           HE1      PHE  49   3.811   0.863   1.674
  344    HE2  PHE  49           HE2      PHE  49   3.358   4.794   0.142
  345    HZ   PHE  49           HZ       PHE  49   3.657   3.279   2.045
  346    H    LYS  50           H        LYS  50   3.250  -1.622  -4.000
  347    HA   LYS  50           HA       LYS  50   1.871  -3.425  -2.329
  348   1HB   LYS  50          1HB       LYS  50   4.411  -3.668  -3.962
  349   2HB   LYS  50          2HB       LYS  50   3.687  -5.008  -3.097
  350   1HG   LYS  50          1HG       LYS  50   1.487  -4.014  -4.438
  351   2HG   LYS  50          2HG       LYS  50   2.764  -3.632  -5.576
  352   1HD   LYS  50          1HD       LYS  50   3.343  -6.268  -4.711
  353   2HD   LYS  50          2HD       LYS  50   1.602  -6.239  -4.905
  354   1HE   LYS  50          1HE       LYS  50   2.655  -4.839  -7.160
  355   2HE   LYS  50          2HE       LYS  50   3.671  -6.253  -6.961
  356   1HZ   LYS  50          1HZ       LYS  50   0.755  -6.469  -6.875
  357   2HZ   LYS  50          2HZ       LYS  50   1.567  -6.505  -8.292
  358   3HZ   LYS  50          3HZ       LYS  50   1.850  -7.647  -7.158
  359    HA   PRO  51           HA       PRO  51   4.208  -3.270   1.295
  360   1HB   PRO  51          1HB       PRO  51   4.285  -5.867   2.144
  361   2HB   PRO  51          2HB       PRO  51   2.885  -4.833   2.348
  362   1HG   PRO  51          1HG       PRO  51   3.296  -7.036   0.421
  363   2HG   PRO  51          2HG       PRO  51   1.795  -6.287   0.928
  364   1HD   PRO  51          1HD       PRO  51   3.179  -5.854  -1.547
  365   2HD   PRO  51          2HD       PRO  51   1.742  -5.021  -0.990
  366    H    LEU  52           H        LEU  52   6.251  -2.647   1.533
  367    HA   LEU  52           HA       LEU  52   8.281  -3.211  -0.030
  368   1HB   LEU  52          1HB       LEU  52   8.470  -1.698   1.805
  369   2HB   LEU  52          2HB       LEU  52   8.306  -2.991   2.977
  370    HG   LEU  52           HG       LEU  52  10.634  -2.733   1.054
  371   1HD1  LEU  52          1HD1      LEU  52  10.167  -0.945   3.006
  372   2HD1  LEU  52          2HD1      LEU  52  11.014  -2.196   3.948
  373   3HD1  LEU  52          3HD1      LEU  52  11.798  -1.469   2.525
  374   1HD2  LEU  52          1HD2      LEU  52   9.779  -4.797   2.926
  375   2HD2  LEU  52          2HD2      LEU  52  11.018  -4.844   1.649
  376   3HD2  LEU  52          3HD2      LEU  52  11.426  -4.212   3.262
  377    H    GLN  53           H        GLN  53   9.844  -4.802  -0.430
  378    HA   GLN  53           HA       GLN  53   8.954  -7.417   0.004
  379   1HB   GLN  53          1HB       GLN  53  11.251  -6.078  -1.334
  380   2HB   GLN  53          2HB       GLN  53  11.575  -7.712  -0.791
  381   1HG   GLN  53          1HG       GLN  53  10.549  -8.415  -2.695
  382   2HG   GLN  53          2HG       GLN  53   9.038  -7.953  -1.937
  383   2HE2  GLN  53          2HE2      GLN  53   8.852  -5.370  -1.940
  384   1HE2  GLN  53          1HE2      GLN  53   8.974  -4.655  -3.513
  385    H    GLU  54           H        GLU  54   8.756  -7.148   2.458
  386    HA   GLU  54           HA       GLU  54  10.701  -6.720   4.195
  387   1HB   GLU  54          1HB       GLU  54   9.537  -8.203   5.749
  388   2HB   GLU  54          2HB       GLU  54   8.358  -7.366   4.758
  389   1HG   GLU  54          1HG       GLU  54   9.385 -10.194   4.222
  390   2HG   GLU  54          2HG       GLU  54   7.863  -9.818   5.005
  391    H    ALA  55           H        ALA  55  12.653  -7.596   4.821
  392    HA   ALA  55           HA       ALA  55  13.216 -10.366   4.333
  393   1HB   ALA  55          1HB       ALA  55  15.230  -9.851   2.917
  394   2HB   ALA  55          2HB       ALA  55  13.680  -9.517   2.108
  395   3HB   ALA  55          3HB       ALA  55  14.644  -8.177   2.773
  396    H    GLU  56           H        GLU  56  13.300 -10.168   6.695
  397    HA   GLU  56           HA       GLU  56  14.365 -10.006   8.579
  398   1HB   GLU  56          1HB       GLU  56  16.326 -10.733   6.811
  399   2HB   GLU  56          2HB       GLU  56  17.023  -9.255   7.443
  400   1HG   GLU  56          1HG       GLU  56  17.683 -10.399   9.285
  401   2HG   GLU  56          2HG       GLU  56  15.998 -10.613   9.718
  402    H    CYS  57           H        CYS  57  15.436  -8.447  10.140
  403    HA   CYS  57           HA       CYS  57  15.128  -5.713   9.128
  404   1HB   CYS  57          1HB       CYS  57  14.504  -5.087  11.441
  405   2HB   CYS  57          2HB       CYS  57  13.353  -6.140  10.643
  406    H    THR  58           H        THR  58  17.376  -5.522   8.555
  407    HA   THR  58           HA       THR  58  19.141  -5.361  10.892
  408    HB   THR  58           HB       THR  58  19.588  -7.536   9.806
  409    HG1  THR  58           HG1      THR  58  21.429  -6.257  10.492
  410   1HG2  THR  58          1HG2      THR  58  18.724  -6.725   7.472
  411   2HG2  THR  58          2HG2      THR  58  20.331  -5.983   7.289
  412   3HG2  THR  58          3HG2      THR  58  20.182  -7.745   7.490
  413    H    PHE  59           H        PHE  59  18.682  -4.587   7.387
  414    HA   PHE  59           HA       PHE  59  20.590  -2.580   7.299
  415   1HB   PHE  59          1HB       PHE  59  19.646  -3.397   5.243
  416   2HB   PHE  59          2HB       PHE  59  18.008  -3.322   5.863
  417    HD1  PHE  59           HD1      PHE  59  20.843  -1.073   4.955
  418    HD2  PHE  59           HD2      PHE  59  16.636  -1.581   5.196
  419    HE1  PHE  59           HE1      PHE  59  20.510   1.136   3.809
  420    HE2  PHE  59           HE2      PHE  59  16.304   0.627   4.050
  421    HZ   PHE  59           HZ       PHE  59  18.245   1.959   3.370

  No H/Q in entry =         421
  Start of MODEL   24
    1    H    GLU   1           H        GLU   1   5.393 -15.463  17.258
    2    HA   GLU   1           HA       GLU   1   4.571 -13.148  18.706
    3   1HB   GLU   1          1HB       GLU   1   6.089 -15.374  20.019
    4   2HB   GLU   1          2HB       GLU   1   6.639 -13.746  20.359
    5   1HG   GLU   1          1HG       GLU   1   4.564 -13.104  21.329
    6   2HG   GLU   1          2HG       GLU   1   3.684 -14.402  20.547
    7    H    GLU   2           H        GLU   2   5.340 -12.842  16.261
    8    HA   GLU   2           HA       GLU   2   8.114 -12.020  16.485
    9   1HB   GLU   2          1HB       GLU   2   6.948 -13.921  14.481
   10   2HB   GLU   2          2HB       GLU   2   8.084 -12.737  13.865
   11   1HG   GLU   2          1HG       GLU   2   9.032 -13.946  16.378
   12   2HG   GLU   2          2HG       GLU   2   8.726 -15.161  15.153
   13    H    TYR   3           H        TYR   3   5.218 -12.007  14.276
   14    HA   TYR   3           HA       TYR   3   5.096  -9.152  14.395
   15   1HB   TYR   3          1HB       TYR   3   5.849  -8.750  12.151
   16   2HB   TYR   3          2HB       TYR   3   6.965  -9.994  12.678
   17    HD1  TYR   3           HD1      TYR   3   6.498 -12.415  12.021
   18    HD2  TYR   3           HD2      TYR   3   4.405  -9.103  10.302
   19    HE1  TYR   3           HE1      TYR   3   5.786 -13.872  10.063
   20    HE2  TYR   3           HE2      TYR   3   3.700 -10.572   8.349
   21    HH   TYR   3           HH       TYR   3   3.614 -12.606   7.570
   22    H    VAL   4           H        VAL   4   3.178  -8.306  13.283
   23    HA   VAL   4           HA       VAL   4   1.440  -9.892  11.816
   24    HB   VAL   4           HB       VAL   4   1.152 -11.275  13.727
   25   1HG1  VAL   4          1HG1      VAL   4   2.016  -9.482  15.345
   26   2HG1  VAL   4          2HG1      VAL   4   0.335  -8.901  15.412
   27   3HG1  VAL   4          3HG1      VAL   4   0.725 -10.557  15.933
   28   1HG2  VAL   4          1HG2      VAL   4  -1.163  -9.341  13.399
   29   2HG2  VAL   4          2HG2      VAL   4  -0.897 -10.875  12.536
   30   3HG2  VAL   4          3HG2      VAL   4  -1.268 -10.886  14.277
   31    H    GLY   5           H        GLY   5   1.738  -7.743  10.798
   32   1HA   GLY   5          1HA       GLY   5  -0.366  -6.121  10.788
   33   2HA   GLY   5          2HA       GLY   5   1.262  -5.535  10.510
   34    H    LEU   6           H        LEU   6   2.469  -4.529  12.252
   35    HA   LEU   6           HA       LEU   6   0.752  -3.782  14.517
   36   1HB   LEU   6          1HB       LEU   6   2.896  -3.472  15.761
   37   2HB   LEU   6          2HB       LEU   6   2.459  -5.127  15.385
   38    HG   LEU   6           HG       LEU   6   4.228  -3.841  13.397
   39   1HD1  LEU   6          1HD1      LEU   6   4.849  -3.596  16.201
   40   2HD1  LEU   6          2HD1      LEU   6   6.025  -4.664  15.398
   41   3HD1  LEU   6          3HD1      LEU   6   5.752  -3.017  14.780
   42   1HD2  LEU   6          1HD2      LEU   6   3.735  -6.504  14.583
   43   2HD2  LEU   6          2HD2      LEU   6   4.136  -6.037  12.913
   44   3HD2  LEU   6          3HD2      LEU   6   5.423  -6.157  14.137
   45    H    SER   7           H        SER   7   3.223  -2.759  12.111
   46    HA   SER   7           HA       SER   7   2.211  -0.060  12.502
   47   1HB   SER   7          1HB       SER   7   4.421   0.890  12.388
   48   2HB   SER   7          2HB       SER   7   4.473  -0.373  13.602
   49    HG   SER   7           HG       SER   7   5.215  -1.790  11.689
   50    H    ALA   8           H        ALA   8   4.249   0.880  10.438
   51    HA   ALA   8           HA       ALA   8   2.797  -0.141   8.113
   52   1HB   ALA   8          1HB       ALA   8   4.529   2.340   8.461
   53   2HB   ALA   8          2HB       ALA   8   3.549   1.928   7.033
   54   3HB   ALA   8          3HB       ALA   8   2.753   2.300   8.580
   55    H    ASN   9           H        ASN   9   4.931  -1.671   9.521
   56    HA   ASN   9           HA       ASN   9   7.383  -1.444   8.446
   57   1HB   ASN   9          1HB       ASN   9   5.894  -3.434   9.853
   58   2HB   ASN   9          2HB       ASN   9   6.564  -4.262   8.462
   59   2HD2  ASN   9          2HD2      ASN   9   7.363  -4.971  10.932
   60   1HD2  ASN   9          1HD2      ASN   9   8.999  -4.495  11.242
   61    H    GLN  10           H        GLN  10   4.569  -3.378   7.167
   62    HA   GLN  10           HA       GLN  10   5.896  -4.188   4.856
   63   1HB   GLN  10          1HB       GLN  10   3.540  -4.734   4.056
   64   2HB   GLN  10          2HB       GLN  10   3.993  -5.449   5.591
   65   1HG   GLN  10          1HG       GLN  10   2.918  -2.925   6.285
   66   2HG   GLN  10          2HG       GLN  10   1.872  -3.505   5.004
   67   2HE2  GLN  10          2HE2      GLN  10   3.071  -4.009   8.218
   68   1HE2  GLN  10          1HE2      GLN  10   1.962  -5.242   8.719
   69    H    CYS  11           H        CYS  11   4.180  -1.234   5.763
   70    HA   CYS  11           HA       CYS  11   4.406  -0.330   2.985
   71   1HB   CYS  11          1HB       CYS  11   2.714   1.172   4.908
   72   2HB   CYS  11          2HB       CYS  11   2.514   0.916   3.186
   73    H    ALA  12           H        ALA  12   6.745  -0.411   4.485
   74    HA   ALA  12           HA       ALA  12   7.063   2.382   5.351
   75   1HB   ALA  12          1HB       ALA  12   9.160   1.125   6.502
   76   2HB   ALA  12          2HB       ALA  12   7.572   1.276   7.293
   77   3HB   ALA  12          3HB       ALA  12   8.007  -0.230   6.450
   78    H    VAL  13           H        VAL  13   7.120   2.129   2.685
   79    HA   VAL  13           HA       VAL  13   9.870   1.554   1.909
   80    HB   VAL  13           HB       VAL  13   7.924   2.474  -0.101
   81   1HG1  VAL  13          1HG1      VAL  13  10.189   0.615   0.161
   82   2HG1  VAL  13          2HG1      VAL  13   8.861  -0.005  -0.848
   83   3HG1  VAL  13          3HG1      VAL  13   9.627   1.552  -1.244
   84   1HG2  VAL  13          1HG2      VAL  13   7.343   0.141   1.693
   85   2HG2  VAL  13          2HG2      VAL  13   6.231   1.318   0.955
   86   3HG2  VAL  13          3HG2      VAL  13   6.944   0.023  -0.037
   87    HA   PRO  14           HA       PRO  14  10.873   5.755   1.767
   88   1HB   PRO  14          1HB       PRO  14  12.963   5.743   0.007
   89   2HB   PRO  14          2HB       PRO  14  13.127   5.289   1.692
   90   1HG   PRO  14          1HG       PRO  14  13.071   3.552  -0.700
   91   2HG   PRO  14          2HG       PRO  14  13.648   3.181   0.913
   92   1HD   PRO  14          1HD       PRO  14  11.166   2.345  -0.257
   93   2HD   PRO  14          2HD       PRO  14  11.691   2.073   1.393
   94    H    ALA  15           H        ALA  15   9.241   4.272  -0.595
   95    HA   ALA  15           HA       ALA  15   7.802   5.247  -2.032
   96   1HB   ALA  15          1HB       ALA  15   9.290   7.819  -2.294
   97   2HB   ALA  15          2HB       ALA  15   7.542   7.518  -2.139
   98   3HB   ALA  15          3HB       ALA  15   8.584   7.473  -0.697
   99    H    LYS  16           H        LYS  16  11.286   5.190  -2.201
  100    HA   LYS  16           HA       LYS  16  11.258   5.395  -5.101
  101   1HB   LYS  16          1HB       LYS  16  13.705   5.348  -4.889
  102   2HB   LYS  16          2HB       LYS  16  12.985   6.623  -3.927
  103   1HG   LYS  16          1HG       LYS  16  14.697   5.491  -2.591
  104   2HG   LYS  16          2HG       LYS  16  13.124   5.161  -1.894
  105   1HD   LYS  16          1HD       LYS  16  13.117   2.921  -2.598
  106   2HD   LYS  16          2HD       LYS  16  14.183   3.229  -3.955
  107   1HE   LYS  16          1HE       LYS  16  15.817   3.902  -1.816
  108   2HE   LYS  16          2HE       LYS  16  14.858   2.609  -1.124
  109   1HZ   LYS  16          1HZ       LYS  16  15.450   1.589  -3.488
  110   2HZ   LYS  16          2HZ       LYS  16  16.783   2.500  -3.247
  111   3HZ   LYS  16          3HZ       LYS  16  16.367   1.358  -2.157
  112    H    ASP  17           H        ASP  17  10.331   3.097  -2.986
  113    HA   ASP  17           HA       ASP  17  11.441   1.007  -4.685
  114   1HB   ASP  17          1HB       ASP  17  11.694   1.341  -1.826
  115   2HB   ASP  17          2HB       ASP  17  10.675  -0.057  -2.110
  116    H    ARG  18           H        ARG  18   8.852   2.707  -4.560
  117    HA   ARG  18           HA       ARG  18   6.862   0.953  -3.611
  118   1HB   ARG  18          1HB       ARG  18   6.458   3.241  -5.591
  119   2HB   ARG  18          2HB       ARG  18   5.292   2.608  -4.445
  120   1HG   ARG  18          1HG       ARG  18   7.917   3.765  -3.453
  121   2HG   ARG  18          2HG       ARG  18   6.594   4.834  -3.876
  122   1HD   ARG  18          1HD       ARG  18   5.311   2.911  -2.314
  123   2HD   ARG  18          2HD       ARG  18   6.879   3.024  -1.540
  124    HE   ARG  18           HE       ARG  18   5.564   5.603  -2.160
  125   1HH1  ARG  18          1HH1      ARG  18   6.241   3.125   0.246
  126   2HH1  ARG  18          2HH1      ARG  18   5.892   4.157   1.593
  127   1HH2  ARG  18          1HH2      ARG  18   5.103   6.964  -0.383
  128   2HH2  ARG  18          2HH2      ARG  18   5.240   6.356   1.233
  129    H    VAL  19           H        VAL  19   5.535  -0.498  -4.789
  130    HA   VAL  19           HA       VAL  19   6.500  -1.078  -7.485
  131    HB   VAL  19           HB       VAL  19   4.606  -2.799  -5.929
  132   1HG1  VAL  19          1HG1      VAL  19   6.159  -3.006  -8.339
  133   2HG1  VAL  19          2HG1      VAL  19   6.701  -4.248  -7.184
  134   3HG1  VAL  19          3HG1      VAL  19   4.987  -4.158  -7.655
  135   1HG2  VAL  19          1HG2      VAL  19   6.354  -2.190  -4.311
  136   2HG2  VAL  19          2HG2      VAL  19   6.483  -3.899  -4.795
  137   3HG2  VAL  19          3HG2      VAL  19   7.608  -2.695  -5.469
  138    H    ASP  20           H        ASP  20   4.212   0.837  -6.020
  139    HA   ASP  20           HA       ASP  20   2.267   1.644  -6.565
  140   1HB   ASP  20          1HB       ASP  20   3.344   2.615  -8.456
  141   2HB   ASP  20          2HB       ASP  20   3.505   1.073  -9.273
  142    H    CYS  21           H        CYS  21   0.664   0.198  -5.782
  143    HA   CYS  21           HA       CYS  21   0.189  -2.299  -7.006
  144   1HB   CYS  21          1HB       CYS  21  -0.377  -1.222  -4.581
  145   2HB   CYS  21          2HB       CYS  21  -1.947  -1.095  -5.349
  146    H    GLY  22           H        GLY  22  -0.860   1.027  -7.515
  147   1HA   GLY  22          1HA       GLY  22  -2.157   0.394  -9.955
  148   2HA   GLY  22          2HA       GLY  22  -2.106   1.949  -9.150
  149    H    TYR  23           H        TYR  23  -3.793   2.586  -7.709
  150    HA   TYR  23           HA       TYR  23  -6.193   0.932  -7.984
  151   1HB   TYR  23          1HB       TYR  23  -4.663   1.904  -5.548
  152   2HB   TYR  23          2HB       TYR  23  -6.410   1.983  -5.442
  153    HD1  TYR  23           HD1      TYR  23  -7.691  -0.245  -6.075
  154    HD2  TYR  23           HD2      TYR  23  -3.573  -0.063  -4.928
  155    HE1  TYR  23           HE1      TYR  23  -7.756  -2.702  -5.425
  156    HE2  TYR  23           HE2      TYR  23  -3.652  -2.520  -4.282
  157    HH   TYR  23           HH       TYR  23  -5.818  -4.104  -3.490
  158    HA   PRO  24           HA       PRO  24  -7.987   4.789  -8.783
  159   1HB   PRO  24          1HB       PRO  24 -10.633   4.198  -8.444
  160   2HB   PRO  24          2HB       PRO  24  -9.746   3.815  -9.906
  161   1HG   PRO  24          1HG       PRO  24 -10.618   2.003  -7.739
  162   2HG   PRO  24          2HG       PRO  24 -10.122   1.603  -9.372
  163   1HD   PRO  24          1HD       PRO  24  -8.567   1.292  -6.982
  164   2HD   PRO  24          2HD       PRO  24  -8.032   1.003  -8.625
  165    H    HIS  25           H        HIS  25 -10.156   3.580  -6.289
  166    HA   HIS  25           HA       HIS  25  -9.823   6.119  -4.953
  167   1HB   HIS  25          1HB       HIS  25 -11.772   5.585  -3.751
  168   2HB   HIS  25          2HB       HIS  25 -12.060   5.034  -5.390
  169    HD1  HIS  25           HD1      HIS  25 -13.553   3.890  -2.842
  170    HD2  HIS  25           HD2      HIS  25 -10.268   2.110  -4.749
  171    HE1  HIS  25           HE1      HIS  25 -13.642   1.410  -2.252
  172    HE2  HIS  25           HE2      HIS  25 -11.631   0.359  -3.497
  173    H    VAL  26           H        VAL  26  -7.613   5.902  -4.237
  174    HA   VAL  26           HA       VAL  26  -7.111   3.726  -2.367
  175    HB   VAL  26           HB       VAL  26  -4.789   4.620  -2.442
  176   1HG1  VAL  26          1HG1      VAL  26  -6.063   3.914  -5.107
  177   2HG1  VAL  26          2HG1      VAL  26  -4.319   3.857  -4.755
  178   3HG1  VAL  26          3HG1      VAL  26  -5.438   2.776  -3.890
  179   1HG2  VAL  26          1HG2      VAL  26  -5.859   6.952  -3.300
  180   2HG2  VAL  26          2HG2      VAL  26  -4.164   6.483  -3.575
  181   3HG2  VAL  26          3HG2      VAL  26  -5.373   6.243  -4.859
  182    H    THR  27           H        THR  27  -6.797   4.022  -0.161
  183    HA   THR  27           HA       THR  27  -6.694   6.715   0.892
  184    HB   THR  27           HB       THR  27  -8.799   6.677   1.974
  185    HG1  THR  27           HG1      THR  27  -8.404   3.824   1.507
  186   1HG2  THR  27          1HG2      THR  27  -9.247   4.947  -0.516
  187   2HG2  THR  27          2HG2      THR  27 -10.524   5.798   0.387
  188   3HG2  THR  27          3HG2      THR  27  -9.277   6.727  -0.479
  189    HA   PRO  28           HA       PRO  28  -4.598   4.771   4.098
  190   1HB   PRO  28          1HB       PRO  28  -5.379   6.055   6.380
  191   2HB   PRO  28          2HB       PRO  28  -4.232   6.735   5.243
  192   1HG   PRO  28          1HG       PRO  28  -7.067   7.456   5.671
  193   2HG   PRO  28          2HG       PRO  28  -5.809   8.376   4.870
  194   1HD   PRO  28          1HD       PRO  28  -7.921   6.900   3.611
  195   2HD   PRO  28          2HD       PRO  28  -6.597   7.723   2.811
  196    H    LYS  29           H        LYS  29  -6.852   3.309   3.246
  197    HA   LYS  29           HA       LYS  29  -6.931   1.422   5.277
  198   1HB   LYS  29          1HB       LYS  29  -8.336   3.411   6.259
  199   2HB   LYS  29          2HB       LYS  29  -9.588   2.824   5.183
  200   1HG   LYS  29          1HG       LYS  29  -8.189   0.726   6.796
  201   2HG   LYS  29          2HG       LYS  29  -9.171   1.851   7.714
  202   1HD   LYS  29          1HD       LYS  29 -10.264   0.486   5.224
  203   2HD   LYS  29          2HD       LYS  29 -10.313  -0.309   6.785
  204   1HE   LYS  29          1HE       LYS  29 -11.295   2.507   6.804
  205   2HE   LYS  29          2HE       LYS  29 -12.261   1.409   5.839
  206   1HZ   LYS  29          1HZ       LYS  29 -11.792   0.004   8.078
  207   2HZ   LYS  29          2HZ       LYS  29 -11.957   1.520   8.662
  208   3HZ   LYS  29          3HZ       LYS  29 -13.153   0.854   7.772
  209    H    GLU  30           H        GLU  30  -9.075   2.976   2.790
  210    HA   GLU  30           HA       GLU  30 -10.139   0.591   1.898
  211   1HB   GLU  30          1HB       GLU  30 -10.969   2.954   1.432
  212   2HB   GLU  30          2HB       GLU  30  -9.694   3.111   0.241
  213   1HG   GLU  30          1HG       GLU  30 -10.917   1.982  -1.299
  214   2HG   GLU  30          2HG       GLU  30 -11.082   0.608  -0.223
  215    H    CYS  31           H        CYS  31  -7.256   2.477   0.801
  216    HA   CYS  31           HA       CYS  31  -6.669   0.835  -1.376
  217   1HB   CYS  31          1HB       CYS  31  -5.586   2.830  -1.521
  218   2HB   CYS  31          2HB       CYS  31  -5.244   2.913   0.196
  219    H    ASN  32           H        ASN  32  -5.931   0.723   2.130
  220    HA   ASN  32           HA       ASN  32  -4.169  -1.508   1.744
  221   1HB   ASN  32          1HB       ASN  32  -3.373  -0.913   3.811
  222   2HB   ASN  32          2HB       ASN  32  -4.393   0.506   3.682
  223   2HD2  ASN  32          2HD2      ASN  32  -3.651  -2.174   5.482
  224   1HD2  ASN  32          1HD2      ASN  32  -5.060  -2.297   6.482
  225    H    ASN  33           H        ASN  33  -7.438  -1.119   1.589
  226    HA   ASN  33           HA       ASN  33  -8.048  -3.432   3.233
  227   1HB   ASN  33          1HB       ASN  33  -9.481  -1.422   3.562
  228   2HB   ASN  33          2HB       ASN  33  -9.864  -1.387   1.852
  229   2HD2  ASN  33          2HD2      ASN  33 -11.407  -2.670   1.025
  230   1HD2  ASN  33          1HD2      ASN  33 -12.390  -3.768   1.934
  231    H    ARG  34           H        ARG  34  -8.095  -2.047  -0.081
  232    HA   ARG  34           HA       ARG  34  -9.584  -4.046  -1.276
  233   1HB   ARG  34          1HB       ARG  34  -8.556  -1.670  -2.112
  234   2HB   ARG  34          2HB       ARG  34  -7.361  -2.732  -2.830
  235   1HG   ARG  34          1HG       ARG  34 -10.376  -3.039  -3.219
  236   2HG   ARG  34          2HG       ARG  34  -9.320  -2.216  -4.349
  237   1HD   ARG  34          1HD       ARG  34  -7.933  -4.505  -4.236
  238   2HD   ARG  34          2HD       ARG  34  -9.462  -5.165  -3.690
  239    HE   ARG  34           HE       ARG  34  -8.822  -4.335  -6.386
  240   1HH1  ARG  34          1HH1      ARG  34 -11.475  -4.476  -4.079
  241   2HH1  ARG  34          2HH1      ARG  34 -12.702  -4.538  -5.299
  242   1HH2  ARG  34          1HH2      ARG  34 -10.441  -4.416  -7.997
  243   2HH2  ARG  34          2HH2      ARG  34 -12.110  -4.503  -7.543
  244    H    GLY  35           H        GLY  35  -6.224  -3.873  -0.200
  245   1HA   GLY  35          1HA       GLY  35  -5.670  -6.461  -1.526
  246   2HA   GLY  35          2HA       GLY  35  -5.275  -6.139   0.151
  247    H    CYS  36           H        CYS  36  -3.829  -4.143   0.569
  248    HA   CYS  36           HA       CYS  36  -1.434  -4.456  -0.659
  249   1HB   CYS  36          1HB       CYS  36  -3.142  -3.146  -2.462
  250   2HB   CYS  36          2HB       CYS  36  -2.108  -1.888  -1.813
  251    H    CYS  37           H        CYS  37  -0.597  -1.617  -0.665
  252    HA   CYS  37           HA       CYS  37  -1.245  -0.934   2.110
  253   1HB   CYS  37          1HB       CYS  37   1.399  -1.138   0.736
  254   2HB   CYS  37          2HB       CYS  37   1.183   0.115   1.942
  255    H    PHE  38           H        PHE  38  -1.250   1.410   2.549
  256    HA   PHE  38           HA       PHE  38  -1.578   2.968   0.081
  257   1HB   PHE  38          1HB       PHE  38  -3.685   2.642   1.349
  258   2HB   PHE  38          2HB       PHE  38  -2.888   3.037   2.859
  259    HD1  PHE  38           HD1      PHE  38  -4.198   4.422  -0.285
  260    HD2  PHE  38           HD2      PHE  38  -2.545   5.318   3.519
  261    HE1  PHE  38           HE1      PHE  38  -4.877   6.823  -0.555
  262    HE2  PHE  38           HE2      PHE  38  -3.224   7.719   3.249
  263    HZ   PHE  38           HZ       PHE  38  -4.382   8.443   1.215
  264    H    ASP  39           H        ASP  39  -1.392   5.474   0.660
  265    HA   ASP  39           HA       ASP  39   0.203   6.231   2.776
  266   1HB   ASP  39          1HB       ASP  39   2.030   5.001   1.741
  267   2HB   ASP  39          2HB       ASP  39   1.668   5.671   0.163
  268    H    SER  40           H        SER  40   0.428   8.576   2.738
  269    HA   SER  40           HA       SER  40  -0.447   9.837   0.270
  270   1HB   SER  40          1HB       SER  40  -1.934  11.348   1.504
  271   2HB   SER  40          2HB       SER  40  -2.406   9.684   1.791
  272    HG   SER  40           HG       SER  40  -0.694  11.197   3.573
  273    H    ARG  41           H        ARG  41   2.114   9.371   2.054
  274    HA   ARG  41           HA       ARG  41   2.826  11.763   3.182
  275   1HB   ARG  41          1HB       ARG  41   3.987   9.315   3.013
  276   2HB   ARG  41          2HB       ARG  41   4.943  10.127   1.789
  277   1HG   ARG  41          1HG       ARG  41   5.244  12.018   3.596
  278   2HG   ARG  41          2HG       ARG  41   4.700  10.806   4.739
  279   1HD   ARG  41          1HD       ARG  41   6.915  10.220   4.837
  280   2HD   ARG  41          2HD       ARG  41   6.580   9.352   3.352
  281    HE   ARG  41           HE       ARG  41   7.222  12.142   2.833
  282   1HH1  ARG  41          1HH1      ARG  41   8.643   8.997   3.522
  283   2HH1  ARG  41          2HH1      ARG  41  10.156   9.374   2.768
  284   1HH2  ARG  41          1HH2      ARG  41   9.218  12.639   1.838
  285   2HH2  ARG  41          2HH2      ARG  41  10.485  11.459   1.804
  286    H    ILE  42           H        ILE  42   3.403  10.471  -0.161
  287    HA   ILE  42           HA       ILE  42   3.611  13.215  -1.095
  288    HB   ILE  42           HB       ILE  42   5.605  12.026  -2.536
  289   1HG1  ILE  42          1HG1      ILE  42   7.158  11.037  -0.875
  290   2HG1  ILE  42          2HG1      ILE  42   5.887  11.079   0.331
  291   1HG2  ILE  42          1HG2      ILE  42   5.325  14.085  -0.494
  292   2HG2  ILE  42          2HG2      ILE  42   6.939  13.334  -0.485
  293   3HG2  ILE  42          3HG2      ILE  42   6.306  14.065  -1.979
  294   1HD1  ILE  42          1HD1      ILE  42   5.033   9.813  -2.206
  295   2HD1  ILE  42          2HD1      ILE  42   6.373   8.966  -1.397
  296   3HD1  ILE  42          3HD1      ILE  42   4.843   9.242  -0.531
  297    HA   PRO  43           HA       PRO  43   1.154  11.370  -4.149
  298   1HB   PRO  43          1HB       PRO  43   0.902  13.505  -5.835
  299   2HB   PRO  43          2HB       PRO  43  -0.086  13.293  -4.403
  300   1HG   PRO  43          1HG       PRO  43   2.177  15.146  -4.836
  301   2HG   PRO  43          2HG       PRO  43   0.929  15.205  -3.607
  302   1HD   PRO  43          1HD       PRO  43   3.642  14.341  -3.258
  303   2HD   PRO  43          2HD       PRO  43   2.363  14.292  -2.060
  304    H    GLY  44           H        GLY  44   4.056  13.082  -5.085
  305   1HA   GLY  44          1HA       GLY  44   5.716  12.354  -6.453
  306   2HA   GLY  44          2HA       GLY  44   4.433  12.410  -7.646
  307    H    VAL  45           H        VAL  45   4.855  10.172  -4.824
  308    HA   VAL  45           HA       VAL  45   5.441   8.003  -6.664
  309    HB   VAL  45           HB       VAL  45   6.325   6.908  -4.879
  310   1HG1  VAL  45          1HG1      VAL  45   7.079   9.494  -5.096
  311   2HG1  VAL  45          2HG1      VAL  45   6.562   9.471  -3.393
  312   3HG1  VAL  45          3HG1      VAL  45   7.821   8.346  -3.956
  313   1HG2  VAL  45          1HG2      VAL  45   4.196   8.263  -3.228
  314   2HG2  VAL  45          2HG2      VAL  45   4.496   6.527  -3.477
  315   3HG2  VAL  45          3HG2      VAL  45   5.596   7.482  -2.455
  316    HA   PRO  46           HA       PRO  46   1.516   6.205  -6.407
  317   1HB   PRO  46          1HB       PRO  46   1.956   3.530  -6.064
  318   2HB   PRO  46          2HB       PRO  46   2.133   4.340  -7.608
  319   1HG   PRO  46          1HG       PRO  46   4.237   3.384  -5.765
  320   2HG   PRO  46          2HG       PRO  46   4.370   3.797  -7.463
  321   1HD   PRO  46          1HD       PRO  46   5.228   5.389  -5.237
  322   2HD   PRO  46          2HD       PRO  46   5.254   5.850  -6.928
  323    H    TRP  47           H        TRP  47   0.553   7.257  -4.680
  324    HA   TRP  47           HA       TRP  47   0.929   6.953  -2.092
  325   1HB   TRP  47          1HB       TRP  47  -1.544   7.242  -3.719
  326   2HB   TRP  47          2HB       TRP  47  -1.743   6.873  -2.017
  327    HD1  TRP  47           HD1      TRP  47   1.174   9.149  -3.070
  328    HE1  TRP  47           HE1      TRP  47   0.824  11.620  -2.213
  329    HE3  TRP  47           HE3      TRP  47  -3.590   8.463  -1.431
  330    HZ2  TRP  47           HZ2      TRP  47  -1.358  12.980  -0.974
  331    HZ3  TRP  47           HZ3      TRP  47  -4.759  10.414  -0.410
  332    HH2  TRP  47           HH2      TRP  47  -3.720  12.613  -0.169
  333    H    CYS  48           H        CYS  48  -1.037   4.644  -4.104
  334    HA   CYS  48           HA       CYS  48  -0.952   2.761  -1.900
  335   1HB   CYS  48          1HB       CYS  48  -3.035   3.343  -3.318
  336   2HB   CYS  48          2HB       CYS  48  -2.318   2.316  -4.544
  337    H    PHE  49           H        PHE  49   0.892   1.517  -1.807
  338    HA   PHE  49           HA       PHE  49   1.882   0.466  -4.359
  339   1HB   PHE  49          1HB       PHE  49   4.181   0.662  -3.123
  340   2HB   PHE  49          2HB       PHE  49   3.471   2.166  -3.677
  341    HD1  PHE  49           HD1      PHE  49   3.594  -0.021  -0.658
  342    HD2  PHE  49           HD2      PHE  49   3.243   3.923  -2.184
  343    HE1  PHE  49           HE1      PHE  49   3.705   0.892   1.677
  344    HE2  PHE  49           HE2      PHE  49   3.354   4.837   0.151
  345    HZ   PHE  49           HZ       PHE  49   3.584   3.310   2.054
  346    H    LYS  50           H        LYS  50   3.273  -1.541  -4.039
  347    HA   LYS  50           HA       LYS  50   1.848  -3.371  -2.439
  348   1HB   LYS  50          1HB       LYS  50   4.377  -3.535  -4.084
  349   2HB   LYS  50          2HB       LYS  50   3.792  -4.900  -3.154
  350   1HG   LYS  50          1HG       LYS  50   1.495  -3.951  -4.495
  351   2HG   LYS  50          2HG       LYS  50   2.774  -3.801  -5.684
  352   1HD   LYS  50          1HD       LYS  50   3.178  -6.327  -4.409
  353   2HD   LYS  50          2HD       LYS  50   1.456  -6.210  -4.714
  354   1HE   LYS  50          1HE       LYS  50   2.511  -5.246  -7.098
  355   2HE   LYS  50          2HE       LYS  50   3.704  -6.448  -6.645
  356   1HZ   LYS  50          1HZ       LYS  50   0.947  -7.236  -6.364
  357   2HZ   LYS  50          2HZ       LYS  50   1.482  -7.044  -7.895
  358   3HZ   LYS  50          3HZ       LYS  50   2.229  -8.097  -6.896
  359    HA   PRO  51           HA       PRO  51   4.079  -3.289   1.254
  360   1HB   PRO  51          1HB       PRO  51   4.157  -5.903   2.046
  361   2HB   PRO  51          2HB       PRO  51   2.741  -4.887   2.232
  362   1HG   PRO  51          1HG       PRO  51   3.231  -7.042   0.268
  363   2HG   PRO  51          2HG       PRO  51   1.708  -6.318   0.747
  364   1HD   PRO  51          1HD       PRO  51   3.160  -5.816  -1.675
  365   2HD   PRO  51          2HD       PRO  51   1.699  -5.009  -1.143
  366    H    LEU  52           H        LEU  52   6.105  -2.604   1.475
  367    HA   LEU  52           HA       LEU  52   8.172  -3.221  -0.048
  368   1HB   LEU  52          1HB       LEU  52   8.369  -1.574   1.626
  369   2HB   LEU  52          2HB       LEU  52   8.082  -2.724   2.918
  370    HG   LEU  52           HG       LEU  52  10.525  -2.839   1.137
  371   1HD1  LEU  52          1HD1      LEU  52  10.190  -0.653   2.480
  372   2HD1  LEU  52          2HD1      LEU  52  10.549  -1.659   3.904
  373   3HD1  LEU  52          3HD1      LEU  52  11.747  -1.508   2.596
  374   1HD2  LEU  52          1HD2      LEU  52   9.487  -4.450   3.347
  375   2HD2  LEU  52          2HD2      LEU  52  10.739  -4.822   2.137
  376   3HD2  LEU  52          3HD2      LEU  52  11.161  -3.901   3.601
  377    H    GLN  53           H        GLN  53   9.519  -4.905  -0.535
  378    HA   GLN  53           HA       GLN  53   8.747  -7.452   0.157
  379   1HB   GLN  53          1HB       GLN  53  11.161  -8.010  -0.716
  380   2HB   GLN  53          2HB       GLN  53   9.989  -7.318  -1.820
  381   1HG   GLN  53          1HG       GLN  53  11.565  -5.309  -0.284
  382   2HG   GLN  53          2HG       GLN  53  12.519  -6.297  -1.372
  383   2HE2  GLN  53          2HE2      GLN  53  10.971  -3.481  -1.137
  384   1HE2  GLN  53          1HE2      GLN  53  10.496  -3.184  -2.776
  385    H    GLU  54           H        GLU  54   8.521  -7.505   2.491
  386    HA   GLU  54           HA       GLU  54  10.581  -6.845   4.208
  387   1HB   GLU  54          1HB       GLU  54   9.294  -8.039   5.909
  388   2HB   GLU  54          2HB       GLU  54   8.197  -7.151   4.872
  389   1HG   GLU  54          1HG       GLU  54   7.081  -9.102   4.548
  390   2HG   GLU  54          2HG       GLU  54   8.437  -9.625   3.569
  391    H    ALA  55           H        ALA  55  12.617  -7.691   3.706
  392    HA   ALA  55           HA       ALA  55  12.823 -10.600   3.997
  393   1HB   ALA  55          1HB       ALA  55  14.276 -10.775   2.124
  394   2HB   ALA  55          2HB       ALA  55  12.912  -9.778   1.562
  395   3HB   ALA  55          3HB       ALA  55  14.456  -9.008   1.997
  396    H    GLU  56           H        GLU  56  14.781  -7.550   3.653
  397    HA   GLU  56           HA       GLU  56  16.875  -8.501   5.188
  398   1HB   GLU  56          1HB       GLU  56  15.938  -5.692   4.495
  399   2HB   GLU  56          2HB       GLU  56  17.393  -5.974   5.431
  400   1HG   GLU  56          1HG       GLU  56  18.252  -7.458   3.567
  401   2HG   GLU  56          2HG       GLU  56  16.832  -7.047   2.626
  402    H    CYS  57           H        CYS  57  17.254  -8.614   7.386
  403    HA   CYS  57           HA       CYS  57  15.192  -8.588   9.160
  404   1HB   CYS  57          1HB       CYS  57  18.158  -8.231   9.562
  405   2HB   CYS  57          2HB       CYS  57  17.042  -8.295  10.912
  406    H    THR  58           H        THR  58  17.830  -6.074   8.967
  407    HA   THR  58           HA       THR  58  15.810  -4.087   9.780
  408    HB   THR  58           HB       THR  58  18.753  -4.386  10.577
  409    HG1  THR  58           HG1      THR  58  17.459  -5.635  11.942
  410   1HG2  THR  58          1HG2      THR  58  16.784  -2.114  10.816
  411   2HG2  THR  58          2HG2      THR  58  17.763  -2.499  12.252
  412   3HG2  THR  58          3HG2      THR  58  18.561  -2.059  10.722
  413    H    PHE  59           H        PHE  59  19.134  -4.275   8.326
  414    HA   PHE  59           HA       PHE  59  18.134  -2.383   6.315
  415   1HB   PHE  59          1HB       PHE  59  20.702  -2.616   7.948
  416   2HB   PHE  59          2HB       PHE  59  20.786  -1.865   6.367
  417    HD1  PHE  59           HD1      PHE  59  18.411  -0.256   6.172
  418    HD2  PHE  59           HD2      PHE  59  20.854  -0.983   9.565
  419    HE1  PHE  59           HE1      PHE  59  17.676   1.927   7.170
  420    HE2  PHE  59           HE2      PHE  59  20.119   1.200  10.563
  421    HZ   PHE  59           HZ       PHE  59  18.538   2.629   9.353

  No H/Q in entry =         421
  Start of MODEL   25
    1    H    GLU   1           H        GLU   1   1.274 -15.629  17.812
    2    HA   GLU   1           HA       GLU   1   2.937 -15.601  19.504
    3   1HB   GLU   1          1HB       GLU   1   2.849 -17.374  17.370
    4   2HB   GLU   1          2HB       GLU   1   4.539 -16.911  17.381
    5   1HG   GLU   1          1HG       GLU   1   4.800 -17.588  19.704
    6   2HG   GLU   1          2HG       GLU   1   3.071 -17.787  19.906
    7    H    GLU   2           H        GLU   2   3.995 -14.297  16.322
    8    HA   GLU   2           HA       GLU   2   5.950 -12.734  17.782
    9   1HB   GLU   2          1HB       GLU   2   7.706 -13.178  16.139
   10   2HB   GLU   2          2HB       GLU   2   7.157 -14.694  16.824
   11   1HG   GLU   2          1HG       GLU   2   5.867 -15.239  14.861
   12   2HG   GLU   2          2HG       GLU   2   5.975 -13.605  14.239
   13    H    TYR   3           H        TYR   3   7.062 -11.274  15.698
   14    HA   TYR   3           HA       TYR   3   5.398  -9.262  15.217
   15   1HB   TYR   3          1HB       TYR   3   7.152  -8.667  13.772
   16   2HB   TYR   3          2HB       TYR   3   7.896 -10.132  14.381
   17    HD1  TYR   3           HD1      TYR   3   7.791 -12.241  13.041
   18    HD2  TYR   3           HD2      TYR   3   6.371  -8.511  11.501
   19    HE1  TYR   3           HE1      TYR   3   7.851 -13.185  10.681
   20    HE2  TYR   3           HE2      TYR   3   6.436  -9.467   9.146
   21    HH   TYR   3           HH       TYR   3   6.641 -12.711   8.524
   22    H    VAL   4           H        VAL   4   3.839  -8.590  13.698
   23    HA   VAL   4           HA       VAL   4   3.149  -9.965  11.406
   24    HB   VAL   4           HB       VAL   4   2.501 -11.845  12.660
   25   1HG1  VAL   4          1HG1      VAL   4   2.425 -10.507  14.860
   26   2HG1  VAL   4          2HG1      VAL   4   0.717 -10.200  14.461
   27   3HG1  VAL   4          3HG1      VAL   4   1.294 -11.870  14.677
   28   1HG2  VAL   4          1HG2      VAL   4   0.865 -10.955  10.927
   29   2HG2  VAL   4          2HG2      VAL   4   0.200 -12.091  12.125
   30   3HG2  VAL   4          3HG2      VAL   4  -0.104 -10.345  12.290
   31    H    GLY   5           H        GLY   5   2.865  -7.920  10.540
   32   1HA   GLY   5          1HA       GLY   5   0.483  -6.678  10.501
   33   2HA   GLY   5          2HA       GLY   5   2.006  -5.840  10.280
   34    H    LEU   6           H        LEU   6   2.913  -4.583  11.981
   35    HA   LEU   6           HA       LEU   6   1.085  -4.223  14.251
   36   1HB   LEU   6          1HB       LEU   6   3.159  -3.629  15.556
   37   2HB   LEU   6          2HB       LEU   6   2.897  -5.324  15.197
   38    HG   LEU   6           HG       LEU   6   4.512  -4.132  13.119
   39   1HD1  LEU   6          1HD1      LEU   6   5.115  -2.498  14.866
   40   2HD1  LEU   6          2HD1      LEU   6   5.633  -3.836  15.920
   41   3HD1  LEU   6          3HD1      LEU   6   6.486  -3.528  14.388
   42   1HD2  LEU   6          1HD2      LEU   6   4.562  -6.454  14.961
   43   2HD2  LEU   6          2HD2      LEU   6   4.833  -6.365  13.204
   44   3HD2  LEU   6          3HD2      LEU   6   6.134  -5.909  14.330
   45    H    SER   7           H        SER   7   3.544  -2.786  12.038
   46    HA   SER   7           HA       SER   7   2.126  -0.272  12.413
   47   1HB   SER   7          1HB       SER   7   4.113   0.978  12.617
   48   2HB   SER   7          2HB       SER   7   4.433  -0.438  13.600
   49    HG   SER   7           HG       SER   7   6.201  -0.576  12.383
   50    H    ALA   8           H        ALA   8   4.199   0.961  10.503
   51    HA   ALA   8           HA       ALA   8   2.918  -0.008   8.078
   52   1HB   ALA   8          1HB       ALA   8   4.678   2.158   7.553
   53   2HB   ALA   8          2HB       ALA   8   2.902   2.198   7.655
   54   3HB   ALA   8          3HB       ALA   8   3.883   2.518   9.105
   55    H    ASN   9           H        ASN   9   4.954  -1.634   9.558
   56    HA   ASN   9           HA       ASN   9   7.446  -1.452   8.534
   57   1HB   ASN   9          1HB       ASN   9   6.546  -3.118  10.269
   58   2HB   ASN   9          2HB       ASN   9   5.917  -4.073   8.942
   59   2HD2  ASN   9          2HD2      ASN   9   7.135  -5.660   8.287
   60   1HD2  ASN   9          1HD2      ASN   9   8.862  -5.772   8.376
   61    H    GLN  10           H        GLN  10   4.570  -3.262   7.228
   62    HA   GLN  10           HA       GLN  10   5.924  -4.179   4.958
   63   1HB   GLN  10          1HB       GLN  10   3.527  -4.620   4.132
   64   2HB   GLN  10          2HB       GLN  10   4.001  -5.407   5.625
   65   1HG   GLN  10          1HG       GLN  10   2.959  -2.792   6.286
   66   2HG   GLN  10          2HG       GLN  10   1.827  -3.566   5.195
   67   2HE2  GLN  10          2HE2      GLN  10   4.050  -5.046   7.524
   68   1HE2  GLN  10          1HE2      GLN  10   2.858  -5.793   8.535
   69    H    CYS  11           H        CYS  11   4.245  -1.176   5.790
   70    HA   CYS  11           HA       CYS  11   4.550  -0.317   3.005
   71   1HB   CYS  11          1HB       CYS  11   2.870   1.320   4.788
   72   2HB   CYS  11          2HB       CYS  11   2.639   0.865   3.111
   73    H    ALA  12           H        ALA  12   6.853  -0.420   4.563
   74    HA   ALA  12           HA       ALA  12   7.188   2.351   5.481
   75   1HB   ALA  12          1HB       ALA  12   9.356   0.966   6.439
   76   2HB   ALA  12          2HB       ALA  12   7.850   1.238   7.348
   77   3HB   ALA  12          3HB       ALA  12   8.095  -0.290   6.470
   78    H    VAL  13           H        VAL  13   7.137   1.899   2.718
   79    HA   VAL  13           HA       VAL  13   9.862   1.496   1.852
   80    HB   VAL  13           HB       VAL  13   7.810   2.518  -0.012
   81   1HG1  VAL  13          1HG1      VAL  13  10.108   0.656   0.017
   82   2HG1  VAL  13          2HG1      VAL  13   8.749   0.163  -1.021
   83   3HG1  VAL  13          3HG1      VAL  13   9.525   1.746  -1.264
   84   1HG2  VAL  13          1HG2      VAL  13   7.403   0.033   1.628
   85   2HG2  VAL  13          2HG2      VAL  13   6.219   1.244   1.082
   86   3HG2  VAL  13          3HG2      VAL  13   6.880   0.062  -0.073
   87    HA   PRO  14           HA       PRO  14  10.896   5.693   1.892
   88   1HB   PRO  14          1HB       PRO  14  12.973   5.729   0.117
   89   2HB   PRO  14          2HB       PRO  14  13.145   5.211   1.782
   90   1HG   PRO  14          1HG       PRO  14  13.058   3.565  -0.672
   91   2HG   PRO  14          2HG       PRO  14  13.643   3.130   0.922
   92   1HD   PRO  14          1HD       PRO  14  11.145   2.358  -0.259
   93   2HD   PRO  14          2HD       PRO  14  11.680   2.021   1.375
   94    H    ALA  15           H        ALA  15   9.175   4.342  -0.455
   95    HA   ALA  15           HA       ALA  15   7.758   5.364  -1.867
   96   1HB   ALA  15          1HB       ALA  15   8.732   7.564  -0.473
   97   2HB   ALA  15          2HB       ALA  15   7.440   7.594  -1.697
   98   3HB   ALA  15          3HB       ALA  15   9.119   7.953  -2.166
   99    H    LYS  16           H        LYS  16  11.194   5.130  -2.059
  100    HA   LYS  16           HA       LYS  16  11.168   5.532  -4.949
  101   1HB   LYS  16          1HB       LYS  16  13.617   5.442  -4.756
  102   2HB   LYS  16          2HB       LYS  16  12.920   6.687  -3.739
  103   1HG   LYS  16          1HG       LYS  16  14.623   5.480  -2.459
  104   2HG   LYS  16          2HG       LYS  16  13.049   5.141  -1.768
  105   1HD   LYS  16          1HD       LYS  16  13.006   2.933  -2.577
  106   2HD   LYS  16          2HD       LYS  16  14.088   3.284  -3.910
  107   1HE   LYS  16          1HE       LYS  16  16.023   3.252  -2.521
  108   2HE   LYS  16          2HE       LYS  16  15.096   3.498  -1.055
  109   1HZ   LYS  16          1HZ       LYS  16  14.980   1.074  -2.714
  110   2HZ   LYS  16          2HZ       LYS  16  15.818   1.219  -1.319
  111   3HZ   LYS  16          3HZ       LYS  16  14.187   1.306  -1.305
  112    H    ASP  17           H        ASP  17  10.161   3.170  -2.989
  113    HA   ASP  17           HA       ASP  17  11.266   1.135  -4.754
  114   1HB   ASP  17          1HB       ASP  17  11.469   1.332  -1.869
  115   2HB   ASP  17          2HB       ASP  17  10.471  -0.055  -2.257
  116    H    ARG  18           H        ARG  18   8.683   2.904  -4.428
  117    HA   ARG  18           HA       ARG  18   6.683   1.077  -3.660
  118   1HB   ARG  18          1HB       ARG  18   6.299   3.584  -5.359
  119   2HB   ARG  18          2HB       ARG  18   5.122   2.831  -4.301
  120   1HG   ARG  18          1HG       ARG  18   7.744   4.084  -3.356
  121   2HG   ARG  18          2HG       ARG  18   6.186   4.884  -3.300
  122   1HD   ARG  18          1HD       ARG  18   5.412   2.739  -1.953
  123   2HD   ARG  18          2HD       ARG  18   7.127   2.479  -1.706
  124    HE   ARG  18           HE       ARG  18   7.059   4.170  -0.110
  125   1HH1  ARG  18          1HH1      ARG  18   4.533   4.790  -2.481
  126   2HH1  ARG  18          2HH1      ARG  18   3.947   6.206  -1.675
  127   1HH2  ARG  18          1HH2      ARG  18   6.286   6.039   0.953
  128   2HH2  ARG  18          2HH2      ARG  18   4.951   6.922   0.291
  129    H    VAL  19           H        VAL  19   6.092  -0.678  -4.899
  130    HA   VAL  19           HA       VAL  19   6.728  -0.727  -7.693
  131    HB   VAL  19           HB       VAL  19   5.243  -2.685  -5.930
  132   1HG1  VAL  19          1HG1      VAL  19   6.130  -2.748  -8.787
  133   2HG1  VAL  19          2HG1      VAL  19   6.260  -4.244  -7.832
  134   3HG1  VAL  19          3HG1      VAL  19   4.681  -3.443  -8.020
  135   1HG2  VAL  19          1HG2      VAL  19   8.177  -2.404  -6.628
  136   2HG2  VAL  19          2HG2      VAL  19   7.421  -2.434  -5.016
  137   3HG2  VAL  19          3HG2      VAL  19   7.469  -3.914  -6.005
  138    H    ASP  20           H        ASP  20   4.239   0.636  -5.850
  139    HA   ASP  20           HA       ASP  20   2.281   1.439  -6.317
  140   1HB   ASP  20          1HB       ASP  20   3.151   2.575  -8.219
  141   2HB   ASP  20          2HB       ASP  20   3.379   1.089  -9.120
  142    H    CYS  21           H        CYS  21   0.491   0.178  -5.787
  143    HA   CYS  21           HA       CYS  21   0.234  -2.436  -6.926
  144   1HB   CYS  21          1HB       CYS  21  -0.441  -1.318  -4.513
  145   2HB   CYS  21          2HB       CYS  21  -1.997  -1.397  -5.316
  146    H    GLY  22           H        GLY  22  -0.841   0.829  -7.552
  147   1HA   GLY  22          1HA       GLY  22  -2.179   0.086  -9.939
  148   2HA   GLY  22          2HA       GLY  22  -2.095   1.681  -9.219
  149    H    TYR  23           H        TYR  23  -3.734   2.395  -7.738
  150    HA   TYR  23           HA       TYR  23  -6.174   0.791  -7.930
  151   1HB   TYR  23          1HB       TYR  23  -4.618   1.852  -5.534
  152   2HB   TYR  23          2HB       TYR  23  -6.366   1.846  -5.417
  153    HD1  TYR  23           HD1      TYR  23  -7.551  -0.443  -5.949
  154    HD2  TYR  23           HD2      TYR  23  -3.413  -0.058  -4.931
  155    HE1  TYR  23           HE1      TYR  23  -7.488  -2.886  -5.249
  156    HE2  TYR  23           HE2      TYR  23  -3.365  -2.503  -4.234
  157    HH   TYR  23           HH       TYR  23  -5.214  -4.669  -5.138
  158    HA   PRO  24           HA       PRO  24  -7.876   4.674  -8.812
  159   1HB   PRO  24          1HB       PRO  24 -10.535   4.134  -8.483
  160   2HB   PRO  24          2HB       PRO  24  -9.645   3.718  -9.934
  161   1HG   PRO  24          1HG       PRO  24 -10.564   1.949  -7.751
  162   2HG   PRO  24          2HG       PRO  24 -10.065   1.520  -9.375
  163   1HD   PRO  24          1HD       PRO  24  -8.532   1.210  -6.971
  164   2HD   PRO  24          2HD       PRO  24  -7.991   0.890  -8.607
  165    H    HIS  25           H        HIS  25 -10.139   3.581  -6.357
  166    HA   HIS  25           HA       HIS  25  -9.748   6.114  -5.039
  167   1HB   HIS  25          1HB       HIS  25 -11.700   5.582  -3.792
  168   2HB   HIS  25          2HB       HIS  25 -12.005   5.142  -5.461
  169    HD1  HIS  25           HD1      HIS  25 -13.707   3.857  -3.267
  170    HD2  HIS  25           HD2      HIS  25 -10.153   2.166  -4.718
  171    HE1  HIS  25           HE1      HIS  25 -13.840   1.362  -2.752
  172    HE2  HIS  25           HE2      HIS  25 -11.654   0.368  -3.716
  173    H    VAL  26           H        VAL  26  -7.545   5.858  -4.305
  174    HA   VAL  26           HA       VAL  26  -7.108   3.707  -2.392
  175    HB   VAL  26           HB       VAL  26  -4.767   4.539  -2.464
  176   1HG1  VAL  26          1HG1      VAL  26  -6.071   3.800  -5.104
  177   2HG1  VAL  26          2HG1      VAL  26  -4.317   3.771  -4.802
  178   3HG1  VAL  26          3HG1      VAL  26  -5.396   2.692  -3.884
  179   1HG2  VAL  26          1HG2      VAL  26  -5.449   6.905  -3.119
  180   2HG2  VAL  26          2HG2      VAL  26  -4.053   6.216  -3.982
  181   3HG2  VAL  26          3HG2      VAL  26  -5.644   6.285  -4.777
  182    H    THR  27           H        THR  27  -6.803   4.036  -0.188
  183    HA   THR  27           HA       THR  27  -6.620   6.733   0.827
  184    HB   THR  27           HB       THR  27  -8.754   6.836   1.825
  185    HG1  THR  27           HG1      THR  27  -9.908   4.751   2.166
  186   1HG2  THR  27          1HG2      THR  27  -9.183   5.024  -0.609
  187   2HG2  THR  27          2HG2      THR  27 -10.483   5.883   0.252
  188   3HG2  THR  27          3HG2      THR  27  -9.226   6.804  -0.608
  189    HA   PRO  28           HA       PRO  28  -4.676   4.734   4.091
  190   1HB   PRO  28          1HB       PRO  28  -5.385   6.140   6.325
  191   2HB   PRO  28          2HB       PRO  28  -4.182   6.702   5.181
  192   1HG   PRO  28          1HG       PRO  28  -6.963   7.633   5.555
  193   2HG   PRO  28          2HG       PRO  28  -5.636   8.437   4.741
  194   1HD   PRO  28          1HD       PRO  28  -7.836   7.075   3.504
  195   2HD   PRO  28          2HD       PRO  28  -6.450   7.778   2.694
  196    H    LYS  29           H        LYS  29  -6.962   3.361   3.258
  197    HA   LYS  29           HA       LYS  29  -7.211   1.575   5.357
  198   1HB   LYS  29          1HB       LYS  29  -8.518   3.699   6.214
  199   2HB   LYS  29          2HB       LYS  29  -9.785   3.108   5.157
  200   1HG   LYS  29          1HG       LYS  29  -8.631   0.914   6.725
  201   2HG   LYS  29          2HG       LYS  29  -9.191   2.200   7.775
  202   1HD   LYS  29          1HD       LYS  29 -11.428   2.137   6.763
  203   2HD   LYS  29          2HD       LYS  29 -10.892   1.003   5.539
  204   1HE   LYS  29          1HE       LYS  29 -10.635  -0.776   7.130
  205   2HE   LYS  29          2HE       LYS  29 -10.659   0.323   8.495
  206   1HZ   LYS  29          1HZ       LYS  29 -13.004   0.835   7.382
  207   2HZ   LYS  29          2HZ       LYS  29 -12.852  -0.743   6.988
  208   3HZ   LYS  29          3HZ       LYS  29 -12.789  -0.283   8.553
  209    H    GLU  30           H        GLU  30  -8.969   3.181   2.635
  210    HA   GLU  30           HA       GLU  30 -10.204   0.784   1.843
  211   1HB   GLU  30          1HB       GLU  30 -11.167   2.970   1.288
  212   2HB   GLU  30          2HB       GLU  30  -9.741   3.414   0.373
  213   1HG   GLU  30          1HG       GLU  30 -10.601   2.435  -1.479
  214   2HG   GLU  30          2HG       GLU  30 -10.645   0.888  -0.658
  215    H    CYS  31           H        CYS  31  -7.241   2.573   0.835
  216    HA   CYS  31           HA       CYS  31  -6.667   0.904  -1.343
  217   1HB   CYS  31          1HB       CYS  31  -5.571   2.900  -1.490
  218   2HB   CYS  31          2HB       CYS  31  -5.213   2.973   0.224
  219    H    ASN  32           H        ASN  32  -6.137   0.760   2.173
  220    HA   ASN  32           HA       ASN  32  -4.323  -1.453   1.868
  221   1HB   ASN  32          1HB       ASN  32  -3.630  -0.888   3.983
  222   2HB   ASN  32          2HB       ASN  32  -4.592   0.562   3.779
  223   2HD2  ASN  32          2HD2      ASN  32  -4.081  -2.198   5.589
  224   1HD2  ASN  32          1HD2      ASN  32  -5.533  -2.230   6.532
  225    H    ASN  33           H        ASN  33  -7.584  -1.052   1.579
  226    HA   ASN  33           HA       ASN  33  -8.274  -3.356   3.201
  227   1HB   ASN  33          1HB       ASN  33  -9.766  -1.442   3.511
  228   2HB   ASN  33          2HB       ASN  33  -9.951  -1.229   1.781
  229   2HD2  ASN  33          2HD2      ASN  33 -12.212  -1.325   2.969
  230   1HD2  ASN  33          1HD2      ASN  33 -13.034  -2.844   2.845
  231    H    ARG  34           H        ARG  34  -8.263  -1.972  -0.128
  232    HA   ARG  34           HA       ARG  34  -9.666  -3.968  -1.379
  233   1HB   ARG  34          1HB       ARG  34  -8.526  -1.623  -2.176
  234   2HB   ARG  34          2HB       ARG  34  -7.339  -2.731  -2.835
  235   1HG   ARG  34          1HG       ARG  34 -10.345  -2.856  -3.371
  236   2HG   ARG  34          2HG       ARG  34  -9.151  -2.207  -4.477
  237   1HD   ARG  34          1HD       ARG  34  -8.022  -4.640  -4.072
  238   2HD   ARG  34          2HD       ARG  34  -9.685  -5.072  -3.724
  239    HE   ARG  34           HE       ARG  34  -9.592  -3.518  -6.144
  240   1HH1  ARG  34          1HH1      ARG  34  -8.797  -6.717  -4.912
  241   2HH1  ARG  34          2HH1      ARG  34  -8.984  -7.495  -6.448
  242   1HH2  ARG  34          1HH2      ARG  34  -9.839  -4.544  -8.171
  243   2HH2  ARG  34          2HH2      ARG  34  -9.581  -6.250  -8.315
  244    H    GLY  35           H        GLY  35  -6.300  -3.794  -0.244
  245   1HA   GLY  35          1HA       GLY  35  -5.768  -6.440  -1.456
  246   2HA   GLY  35          2HA       GLY  35  -5.420  -6.083   0.223
  247    H    CYS  36           H        CYS  36  -3.946  -4.114   0.644
  248    HA   CYS  36           HA       CYS  36  -1.523  -4.494  -0.500
  249   1HB   CYS  36          1HB       CYS  36  -3.162  -3.169  -2.375
  250   2HB   CYS  36          2HB       CYS  36  -2.074  -1.950  -1.741
  251    H    CYS  37           H        CYS  37  -0.585  -1.711  -0.528
  252    HA   CYS  37           HA       CYS  37  -1.301  -0.953   2.212
  253   1HB   CYS  37          1HB       CYS  37   1.340  -1.260   0.885
  254   2HB   CYS  37          2HB       CYS  37   1.152   0.115   1.954
  255    H    PHE  38           H        PHE  38  -1.231   1.418   2.617
  256    HA   PHE  38           HA       PHE  38  -1.584   2.928   0.123
  257   1HB   PHE  38          1HB       PHE  38  -3.691   2.634   1.398
  258   2HB   PHE  38          2HB       PHE  38  -2.891   3.047   2.901
  259    HD1  PHE  38           HD1      PHE  38  -4.091   4.417  -0.310
  260    HD2  PHE  38           HD2      PHE  38  -2.640   5.313   3.576
  261    HE1  PHE  38           HE1      PHE  38  -4.758   6.817  -0.615
  262    HE2  PHE  38           HE2      PHE  38  -3.307   7.713   3.271
  263    HZ   PHE  38           HZ       PHE  38  -4.358   8.437   1.179
  264    H    ASP  39           H        ASP  39  -1.377   5.439   0.645
  265    HA   ASP  39           HA       ASP  39   0.208   6.240   2.749
  266   1HB   ASP  39          1HB       ASP  39   2.020   4.942   1.742
  267   2HB   ASP  39          2HB       ASP  39   1.701   5.627   0.161
  268    H    SER  40           H        SER  40   0.500   8.585   2.628
  269    HA   SER  40           HA       SER  40  -0.286   9.794   0.115
  270   1HB   SER  40          1HB       SER  40  -1.859  11.318   1.236
  271   2HB   SER  40          2HB       SER  40  -2.348   9.653   1.478
  272    HG   SER  40           HG       SER  40  -1.219   9.764   3.596
  273    H    ARG  41           H        ARG  41   2.171   9.379   2.017
  274    HA   ARG  41           HA       ARG  41   2.769  11.812   3.163
  275   1HB   ARG  41          1HB       ARG  41   3.945   9.369   3.175
  276   2HB   ARG  41          2HB       ARG  41   4.989  10.136   1.995
  277   1HG   ARG  41          1HG       ARG  41   4.452  11.804   4.400
  278   2HG   ARG  41          2HG       ARG  41   5.305  10.312   4.743
  279   1HD   ARG  41          1HD       ARG  41   6.871  10.965   2.752
  280   2HD   ARG  41          2HD       ARG  41   6.154  12.559   2.872
  281    HE   ARG  41           HE       ARG  41   7.091  11.532   5.449
  282   1HH1  ARG  41          1HH1      ARG  41   8.029  13.251   2.525
  283   2HH1  ARG  41          2HH1      ARG  41   9.373  14.049   3.272
  284   1HH2  ARG  41          1HH2      ARG  41   8.865  12.584   6.435
  285   2HH2  ARG  41          2HH2      ARG  41   9.852  13.666   5.511
  286    H    ILE  42           H        ILE  42   3.136  10.550  -0.163
  287    HA   ILE  42           HA       ILE  42   3.597  13.220  -1.113
  288    HB   ILE  42           HB       ILE  42   5.627  11.983  -2.454
  289   1HG1  ILE  42          1HG1      ILE  42   7.099  11.011  -0.688
  290   2HG1  ILE  42          2HG1      ILE  42   5.745  11.038   0.424
  291   1HG2  ILE  42          1HG2      ILE  42   5.310  14.058  -0.424
  292   2HG2  ILE  42          2HG2      ILE  42   6.916  13.291  -0.386
  293   3HG2  ILE  42          3HG2      ILE  42   6.316  14.027  -1.892
  294   1HD1  ILE  42          1HD1      ILE  42   5.800   9.554  -2.245
  295   2HD1  ILE  42          2HD1      ILE  42   5.982   8.810  -0.638
  296   3HD1  ILE  42          3HD1      ILE  42   4.438   9.569  -1.098
  297    HA   PRO  43           HA       PRO  43   1.210  11.328  -4.199
  298   1HB   PRO  43          1HB       PRO  43   0.959  13.464  -5.885
  299   2HB   PRO  43          2HB       PRO  43  -0.057  13.230  -4.477
  300   1HG   PRO  43          1HG       PRO  43   2.182  15.123  -4.854
  301   2HG   PRO  43          2HG       PRO  43   0.906  15.158  -3.653
  302   1HD   PRO  43          1HD       PRO  43   3.625  14.340  -3.245
  303   2HD   PRO  43          2HD       PRO  43   2.321  14.265  -2.076
  304    H    GLY  44           H        GLY  44   4.098  13.100  -5.072
  305   1HA   GLY  44          1HA       GLY  44   5.800  12.411  -6.406
  306   2HA   GLY  44          2HA       GLY  44   4.540  12.432  -7.624
  307    H    VAL  45           H        VAL  45   4.625  10.190  -4.818
  308    HA   VAL  45           HA       VAL  45   5.402   8.030  -6.632
  309    HB   VAL  45           HB       VAL  45   6.233   6.918  -4.816
  310   1HG1  VAL  45          1HG1      VAL  45   6.438   9.859  -4.101
  311   2HG1  VAL  45          2HG1      VAL  45   7.389   8.576  -3.317
  312   3HG1  VAL  45          3HG1      VAL  45   7.582   8.888  -5.059
  313   1HG2  VAL  45          1HG2      VAL  45   4.334   8.501  -3.054
  314   2HG2  VAL  45          2HG2      VAL  45   4.215   6.780  -3.494
  315   3HG2  VAL  45          3HG2      VAL  45   5.546   7.343  -2.454
  316    HA   PRO  46           HA       PRO  46   1.479   6.224  -6.431
  317   1HB   PRO  46          1HB       PRO  46   1.938   3.544  -6.154
  318   2HB   PRO  46          2HB       PRO  46   2.108   4.393  -7.677
  319   1HG   PRO  46          1HG       PRO  46   4.220   3.407  -5.860
  320   2HG   PRO  46          2HG       PRO  46   4.349   3.862  -7.547
  321   1HD   PRO  46          1HD       PRO  46   5.197   5.406  -5.283
  322   2HD   PRO  46          2HD       PRO  46   5.219   5.908  -6.962
  323    H    TRP  47           H        TRP  47   0.629   7.302  -4.623
  324    HA   TRP  47           HA       TRP  47   0.971   6.917  -2.070
  325   1HB   TRP  47          1HB       TRP  47  -1.543   7.168  -3.656
  326   2HB   TRP  47          2HB       TRP  47  -1.678   6.840  -1.940
  327    HD1  TRP  47           HD1      TRP  47   1.189   9.111  -3.110
  328    HE1  TRP  47           HE1      TRP  47   0.832  11.603  -2.318
  329    HE3  TRP  47           HE3      TRP  47  -3.546   8.437  -1.383
  330    HZ2  TRP  47           HZ2      TRP  47  -1.342  12.981  -1.084
  331    HZ3  TRP  47           HZ3      TRP  47  -4.715  10.407  -0.399
  332    HH2  TRP  47           HH2      TRP  47  -3.688  12.619  -0.235
  333    H    CYS  48           H        CYS  48  -1.093   4.658  -4.047
  334    HA   CYS  48           HA       CYS  48  -0.942   2.728  -1.900
  335   1HB   CYS  48          1HB       CYS  48  -3.021   3.334  -3.345
  336   2HB   CYS  48          2HB       CYS  48  -2.302   2.272  -4.540
  337    H    PHE  49           H        PHE  49   0.747   1.289  -1.843
  338    HA   PHE  49           HA       PHE  49   1.767   0.318  -4.399
  339   1HB   PHE  49          1HB       PHE  49   4.097   0.550  -3.239
  340   2HB   PHE  49          2HB       PHE  49   3.358   2.045  -3.777
  341    HD1  PHE  49           HD1      PHE  49   3.654  -0.120  -0.760
  342    HD2  PHE  49           HD2      PHE  49   3.106   3.804  -2.280
  343    HE1  PHE  49           HE1      PHE  49   3.833   0.806   1.566
  344    HE2  PHE  49           HE2      PHE  49   3.285   4.730   0.046
  345    HZ   PHE  49           HZ       PHE  49   3.647   3.220   1.941
  346    H    LYS  50           H        LYS  50   3.240  -1.653  -4.044
  347    HA   LYS  50           HA       LYS  50   1.848  -3.475  -2.391
  348   1HB   LYS  50          1HB       LYS  50   4.521  -3.909  -3.742
  349   2HB   LYS  50          2HB       LYS  50   3.342  -5.119  -3.279
  350   1HG   LYS  50          1HG       LYS  50   1.689  -3.913  -4.867
  351   2HG   LYS  50          2HG       LYS  50   3.067  -3.010  -5.463
  352   1HD   LYS  50          1HD       LYS  50   3.065  -4.798  -6.963
  353   2HD   LYS  50          2HD       LYS  50   4.168  -5.413  -5.749
  354   1HE   LYS  50          1HE       LYS  50   2.577  -6.906  -4.851
  355   2HE   LYS  50          2HE       LYS  50   1.213  -5.961  -5.416
  356   1HZ   LYS  50          1HZ       LYS  50   2.987  -7.084  -7.413
  357   2HZ   LYS  50          2HZ       LYS  50   1.974  -8.105  -6.640
  358   3HZ   LYS  50          3HZ       LYS  50   1.374  -6.838  -7.478
  359    HA   PRO  51           HA       PRO  51   4.181  -3.311   1.236
  360   1HB   PRO  51          1HB       PRO  51   4.313  -5.911   2.067
  361   2HB   PRO  51          2HB       PRO  51   2.891  -4.909   2.277
  362   1HG   PRO  51          1HG       PRO  51   3.353  -7.089   0.334
  363   2HG   PRO  51          2HG       PRO  51   1.835  -6.377   0.844
  364   1HD   PRO  51          1HD       PRO  51   3.213  -5.896  -1.626
  365   2HD   PRO  51          2HD       PRO  51   1.757  -5.098  -1.065
  366    H    LEU  52           H        LEU  52   6.217  -2.737   1.636
  367    HA   LEU  52           HA       LEU  52   8.272  -3.180   0.038
  368   1HB   LEU  52          1HB       LEU  52   8.473  -1.742   1.902
  369   2HB   LEU  52          2HB       LEU  52   8.211  -3.045   3.044
  370    HG   LEU  52           HG       LEU  52  10.636  -2.845   1.239
  371   1HD1  LEU  52          1HD1      LEU  52   9.989  -1.352   3.615
  372   2HD1  LEU  52          2HD1      LEU  52  11.384  -2.414   3.920
  373   3HD1  LEU  52          3HD1      LEU  52  11.426  -1.256   2.569
  374   1HD2  LEU  52          1HD2      LEU  52   9.619  -4.902   3.021
  375   2HD2  LEU  52          2HD2      LEU  52  10.952  -4.961   1.844
  376   3HD2  LEU  52          3HD2      LEU  52  11.248  -4.361   3.493
  377    H    GLN  53           H        GLN  53   9.762  -4.758  -0.517
  378    HA   GLN  53           HA       GLN  53   8.937  -7.383  -0.206
  379   1HB   GLN  53          1HB       GLN  53  11.215  -5.939  -1.425
  380   2HB   GLN  53          2HB       GLN  53  11.628  -7.557  -0.893
  381   1HG   GLN  53          1HG       GLN  53  10.721  -8.271  -2.856
  382   2HG   GLN  53          2HG       GLN  53   9.163  -7.976  -2.109
  383   2HE2  GLN  53          2HE2      GLN  53   8.788  -5.392  -2.020
  384   1HE2  GLN  53          1HE2      GLN  53   8.846  -4.631  -3.575
  385    H    GLU  54           H        GLU  54   8.632  -7.581   2.149
  386    HA   GLU  54           HA       GLU  54  10.491  -7.139   4.040
  387   1HB   GLU  54          1HB       GLU  54   9.205  -8.526   5.448
  388   2HB   GLU  54          2HB       GLU  54   8.056  -8.029   4.221
  389   1HG   GLU  54          1HG       GLU  54   8.837 -10.222   2.960
  390   2HG   GLU  54          2HG       GLU  54   9.444 -10.708   4.530
  391    H    ALA  55           H        ALA  55  12.540  -7.861   4.422
  392    HA   ALA  55           HA       ALA  55  13.202 -10.610   4.029
  393   1HB   ALA  55          1HB       ALA  55  14.442 -10.519   2.118
  394   2HB   ALA  55          2HB       ALA  55  13.382  -9.138   1.742
  395   3HB   ALA  55          3HB       ALA  55  14.998  -8.858   2.434
  396    H    GLU  56           H        GLU  56  13.167  -9.517   6.405
  397    HA   GLU  56           HA       GLU  56  15.856  -8.484   6.846
  398   1HB   GLU  56          1HB       GLU  56  13.258  -8.129   8.380
  399   2HB   GLU  56          2HB       GLU  56  14.805  -7.787   9.128
  400   1HG   GLU  56          1HG       GLU  56  14.487  -5.695   8.238
  401   2HG   GLU  56          2HG       GLU  56  15.141  -6.424   6.785
  402    H    CYS  57           H        CYS  57  13.304 -10.508   8.480
  403    HA   CYS  57           HA       CYS  57  15.494 -12.067   9.631
  404   1HB   CYS  57          1HB       CYS  57  12.615 -11.774  10.510
  405   2HB   CYS  57          2HB       CYS  57  13.764 -12.884  11.231
  406    H    THR  58           H        THR  58  12.006 -12.757   8.886
  407    HA   THR  58           HA       THR  58  12.927 -14.983   7.188
  408    HB   THR  58           HB       THR  58  10.794 -16.126   8.121
  409    HG1  THR  58           HG1      THR  58   9.850 -15.002   9.849
  410   1HG2  THR  58          1HG2      THR  58  13.167 -15.409   9.901
  411   2HG2  THR  58          2HG2      THR  58  11.851 -16.456  10.483
  412   3HG2  THR  58          3HG2      THR  58  12.836 -16.957   9.088
  413    H    PHE  59           H        PHE  59  10.910 -15.813   5.833
  414    HA   PHE  59           HA       PHE  59  10.441 -14.079   3.867
  415   1HB   PHE  59          1HB       PHE  59   9.282 -16.524   4.991
  416   2HB   PHE  59          2HB       PHE  59   7.980 -15.534   4.365
  417    HD1  PHE  59           HD1      PHE  59   8.664 -14.441   1.944
  418    HD2  PHE  59           HD2      PHE  59  10.087 -18.108   3.538
  419    HE1  PHE  59           HE1      PHE  59   9.157 -15.259  -0.378
  420    HE2  PHE  59           HE2      PHE  59  10.580 -18.925   1.216
  421    HZ   PHE  59           HZ       PHE  59  10.110 -17.491  -0.713

  No H/Q in entry =         421
  Start of MODEL   26
    1    H    GLU   1           H        GLU   1   8.067 -15.928  19.901
    2    HA   GLU   1           HA       GLU   1   9.336 -14.978  17.632
    3   1HB   GLU   1          1HB       GLU   1   9.232 -17.396  19.144
    4   2HB   GLU   1          2HB       GLU   1   8.894 -17.846  17.484
    5   1HG   GLU   1          1HG       GLU   1  10.998 -16.016  17.214
    6   2HG   GLU   1          2HG       GLU   1  11.412 -16.869  18.689
    7    H    GLU   2           H        GLU   2   7.248 -13.838  16.799
    8    HA   GLU   2           HA       GLU   2   6.488 -15.060  14.474
    9   1HB   GLU   2          1HB       GLU   2   5.050 -16.168  16.638
   10   2HB   GLU   2          2HB       GLU   2   3.930 -15.038  15.903
   11   1HG   GLU   2          1HG       GLU   2   5.024 -16.256  13.664
   12   2HG   GLU   2          2HG       GLU   2   5.042 -17.575  14.817
   13    H    TYR   3           H        TYR   3   7.201 -12.800  14.085
   14    HA   TYR   3           HA       TYR   3   4.964 -10.935  14.501
   15   1HB   TYR   3          1HB       TYR   3   7.484 -10.867  15.690
   16   2HB   TYR   3          2HB       TYR   3   7.820  -9.991  14.209
   17    HD1  TYR   3           HD1      TYR   3   4.655  -9.937  16.189
   18    HD2  TYR   3           HD2      TYR   3   8.159  -7.793  14.994
   19    HE1  TYR   3           HE1      TYR   3   3.718  -7.814  17.227
   20    HE2  TYR   3           HE2      TYR   3   7.211  -5.677  16.036
   21    HH   TYR   3           HH       TYR   3   4.162  -5.761  17.829
   22    H    VAL   4           H        VAL   4   4.663  -9.336  12.820
   23    HA   VAL   4           HA       VAL   4   6.277  -9.142  10.570
   24    HB   VAL   4           HB       VAL   4   5.302 -11.573  10.469
   25   1HG1  VAL   4          1HG1      VAL   4   2.923 -10.571  10.744
   26   2HG1  VAL   4          2HG1      VAL   4   3.063 -10.170   9.015
   27   3HG1  VAL   4          3HG1      VAL   4   3.176 -11.865   9.548
   28   1HG2  VAL   4          1HG2      VAL   4   6.670 -10.353   8.739
   29   2HG2  VAL   4          2HG2      VAL   4   5.524 -11.547   8.083
   30   3HG2  VAL   4          3HG2      VAL   4   5.141  -9.810   8.006
   31    H    GLY   5           H        GLY   5   5.731  -7.233   9.609
   32   1HA   GLY   5          1HA       GLY   5   3.245  -6.316   8.949
   33   2HA   GLY   5          2HA       GLY   5   4.622  -5.295   9.312
   34    H    LEU   6           H        LEU   6   4.735  -4.164  11.276
   35    HA   LEU   6           HA       LEU   6   2.587  -4.729  13.188
   36   1HB   LEU   6          1HB       LEU   6   4.653  -2.893  14.075
   37   2HB   LEU   6          2HB       LEU   6   4.020  -4.341  14.833
   38    HG   LEU   6           HG       LEU   6   6.314  -4.740  14.525
   39   1HD1  LEU   6          1HD1      LEU   6   4.472  -6.411  13.440
   40   2HD1  LEU   6          2HD1      LEU   6   5.552  -6.156  12.048
   41   3HD1  LEU   6          3HD1      LEU   6   6.208  -6.778  13.581
   42   1HD2  LEU   6          1HD2      LEU   6   6.042  -3.001  12.281
   43   2HD2  LEU   6          2HD2      LEU   6   7.525  -3.599  13.063
   44   3HD2  LEU   6          3HD2      LEU   6   6.791  -4.518  11.728
   45    H    SER   7           H        SER   7   4.497  -1.743  12.468
   46    HA   SER   7           HA       SER   7   2.001  -0.310  12.500
   47   1HB   SER   7          1HB       SER   7   3.762   1.670  12.200
   48   2HB   SER   7          2HB       SER   7   3.516   0.906  13.758
   49    HG   SER   7           HG       SER   7   5.538   0.217  13.723
   50    H    ALA   8           H        ALA   8   4.992   0.203  10.506
   51    HA   ALA   8           HA       ALA   8   3.303   0.045   8.113
   52   1HB   ALA   8          1HB       ALA   8   4.245   2.069   7.250
   53   2HB   ALA   8          2HB       ALA   8   5.447   2.150   8.560
   54   3HB   ALA   8          3HB       ALA   8   3.726   2.432   8.913
   55    H    ASN   9           H        ASN   9   5.595  -1.465   9.803
   56    HA   ASN   9           HA       ASN   9   7.888  -1.576   8.466
   57   1HB   ASN   9          1HB       ASN   9   7.418  -2.987  10.435
   58   2HB   ASN   9          2HB       ASN   9   6.228  -3.914   9.542
   59   2HD2  ASN   9          2HD2      ASN   9   6.934  -5.851   9.118
   60   1HD2  ASN   9          1HD2      ASN   9   8.522  -6.305   8.593
   61    H    GLN  10           H        GLN  10   4.682  -2.618   7.387
   62    HA   GLN  10           HA       GLN  10   5.796  -4.113   5.187
   63   1HB   GLN  10          1HB       GLN  10   3.587  -4.568   6.680
   64   2HB   GLN  10          2HB       GLN  10   2.847  -3.600   5.421
   65   1HG   GLN  10          1HG       GLN  10   2.727  -5.535   4.223
   66   2HG   GLN  10          2HG       GLN  10   4.441  -5.320   3.934
   67   2HE2  GLN  10          2HE2      GLN  10   5.697  -5.890   6.166
   68   1HE2  GLN  10          1HE2      GLN  10   5.400  -7.502   6.726
   69    H    CYS  11           H        CYS  11   4.176  -1.022   5.934
   70    HA   CYS  11           HA       CYS  11   4.398  -0.340   3.092
   71   1HB   CYS  11          1HB       CYS  11   2.659   1.271   4.888
   72   2HB   CYS  11          2HB       CYS  11   2.493   0.908   3.181
   73    H    ALA  12           H        ALA  12   6.718  -0.275   4.624
   74    HA   ALA  12           HA       ALA  12   6.991   2.581   5.274
   75   1HB   ALA  12          1HB       ALA  12   9.043   1.559   6.603
   76   2HB   ALA  12          2HB       ALA  12   7.406   1.528   7.302
   77   3HB   ALA  12          3HB       ALA  12   8.073   0.069   6.530
   78    H    VAL  13           H        VAL  13   7.095   2.185   2.650
   79    HA   VAL  13           HA       VAL  13   9.825   1.500   1.915
   80    HB   VAL  13           HB       VAL  13   7.939   2.459  -0.131
   81   1HG1  VAL  13          1HG1      VAL  13  10.137   0.558   0.179
   82   2HG1  VAL  13          2HG1      VAL  13   8.774  -0.120  -0.743
   83   3HG1  VAL  13          3HG1      VAL  13   9.543   1.394  -1.275
   84   1HG2  VAL  13          1HG2      VAL  13   7.277   0.101   1.635
   85   2HG2  VAL  13          2HG2      VAL  13   6.221   1.425   1.086
   86   3HG2  VAL  13          3HG2      VAL  13   6.746   0.170  -0.062
   87    HA   PRO  14           HA       PRO  14  11.041   5.636   1.628
   88   1HB   PRO  14          1HB       PRO  14  13.058   5.493  -0.211
   89   2HB   PRO  14          2HB       PRO  14  13.263   5.052   1.472
   90   1HG   PRO  14          1HG       PRO  14  13.026   3.290  -0.890
   91   2HG   PRO  14          2HG       PRO  14  13.645   2.910   0.705
   92   1HD   PRO  14          1HD       PRO  14  11.079   2.190  -0.356
   93   2HD   PRO  14          2HD       PRO  14  11.654   1.912   1.276
   94    H    ALA  15           H        ALA  15   9.221   4.224  -0.625
   95    HA   ALA  15           HA       ALA  15   7.798   5.226  -2.046
   96   1HB   ALA  15          1HB       ALA  15   8.823   7.448  -0.755
   97   2HB   ALA  15          2HB       ALA  15   7.550   7.476  -1.998
   98   3HB   ALA  15          3HB       ALA  15   9.246   7.763  -2.455
   99    H    LYS  16           H        LYS  16  11.315   5.293  -2.340
  100    HA   LYS  16           HA       LYS  16  11.172   5.406  -5.231
  101   1HB   LYS  16          1HB       LYS  16  13.598   5.457  -5.135
  102   2HB   LYS  16          2HB       LYS  16  12.920   6.659  -4.055
  103   1HG   LYS  16          1HG       LYS  16  14.445   5.716  -2.592
  104   2HG   LYS  16          2HG       LYS  16  13.094   4.647  -2.273
  105   1HD   LYS  16          1HD       LYS  16  14.490   2.936  -2.822
  106   2HD   LYS  16          2HD       LYS  16  14.289   3.442  -4.487
  107   1HE   LYS  16          1HE       LYS  16  16.533   3.811  -4.529
  108   2HE   LYS  16          2HE       LYS  16  16.234   5.218  -3.528
  109   1HZ   LYS  16          1HZ       LYS  16  16.695   2.514  -2.475
  110   2HZ   LYS  16          2HZ       LYS  16  17.836   3.678  -2.569
  111   3HZ   LYS  16          3HZ       LYS  16  16.542   3.880  -1.593
  112    H    ASP  17           H        ASP  17  10.358   3.120  -3.054
  113    HA   ASP  17           HA       ASP  17  11.447   1.023  -4.759
  114   1HB   ASP  17          1HB       ASP  17  11.819   1.399  -1.945
  115   2HB   ASP  17          2HB       ASP  17  10.713   0.050  -2.112
  116    H    ARG  18           H        ARG  18   8.839   2.700  -4.592
  117    HA   ARG  18           HA       ARG  18   6.894   0.906  -3.613
  118   1HB   ARG  18          1HB       ARG  18   6.392   3.213  -5.543
  119   2HB   ARG  18          2HB       ARG  18   5.284   2.556  -4.356
  120   1HG   ARG  18          1HG       ARG  18   7.923   3.679  -3.399
  121   2HG   ARG  18          2HG       ARG  18   6.657   4.798  -3.865
  122   1HD   ARG  18          1HD       ARG  18   5.305   2.908  -2.274
  123   2HD   ARG  18          2HD       ARG  18   6.849   3.092  -1.466
  124    HE   ARG  18           HE       ARG  18   5.448   5.589  -2.254
  125   1HH1  ARG  18          1HH1      ARG  18   6.317   3.326   0.296
  126   2HH1  ARG  18          2HH1      ARG  18   5.962   4.435   1.578
  127   1HH2  ARG  18          1HH2      ARG  18   4.980   7.054  -0.564
  128   2HH2  ARG  18          2HH2      ARG  18   5.196   6.571   1.085
  129    H    VAL  19           H        VAL  19   5.612  -0.584  -4.771
  130    HA   VAL  19           HA       VAL  19   6.519  -1.107  -7.491
  131    HB   VAL  19           HB       VAL  19   4.962  -2.697  -5.450
  132   1HG1  VAL  19          1HG1      VAL  19   5.583  -3.357  -8.343
  133   2HG1  VAL  19          2HG1      VAL  19   5.143  -4.581  -7.128
  134   3HG1  VAL  19          3HG1      VAL  19   3.991  -3.291  -7.549
  135   1HG2  VAL  19          1HG2      VAL  19   7.768  -2.791  -6.546
  136   2HG2  VAL  19          2HG2      VAL  19   7.213  -2.812  -4.855
  137   3HG2  VAL  19          3HG2      VAL  19   7.004  -4.253  -5.879
  138    H    ASP  20           H        ASP  20   4.272   0.833  -6.022
  139    HA   ASP  20           HA       ASP  20   2.322   1.650  -6.543
  140   1HB   ASP  20          1HB       ASP  20   3.406   2.631  -8.425
  141   2HB   ASP  20          2HB       ASP  20   3.548   1.097  -9.260
  142    H    CYS  21           H        CYS  21   0.732   0.183  -5.756
  143    HA   CYS  21           HA       CYS  21   0.231  -2.292  -6.994
  144   1HB   CYS  21          1HB       CYS  21  -0.357  -1.195  -4.579
  145   2HB   CYS  21          2HB       CYS  21  -1.918  -1.080  -5.366
  146    H    GLY  22           H        GLY  22  -0.787   1.041  -7.521
  147   1HA   GLY  22          1HA       GLY  22  -2.055   0.423  -9.975
  148   2HA   GLY  22          2HA       GLY  22  -2.020   1.973  -9.158
  149    H    TYR  23           H        TYR  23  -3.724   2.588  -7.722
  150    HA   TYR  23           HA       TYR  23  -6.120   0.938  -8.055
  151   1HB   TYR  23          1HB       TYR  23  -4.630   1.887  -5.583
  152   2HB   TYR  23          2HB       TYR  23  -6.380   1.946  -5.504
  153    HD1  TYR  23           HD1      TYR  23  -7.598  -0.308  -6.273
  154    HD2  TYR  23           HD2      TYR  23  -3.557  -0.054  -4.890
  155    HE1  TYR  23           HE1      TYR  23  -7.646  -2.775  -5.657
  156    HE2  TYR  23           HE2      TYR  23  -3.619  -2.522  -4.279
  157    HH   TYR  23           HH       TYR  23  -5.941  -4.600  -5.410
  158    HA   PRO  24           HA       PRO  24  -7.923   4.799  -8.811
  159   1HB   PRO  24          1HB       PRO  24 -10.568   4.218  -8.445
  160   2HB   PRO  24          2HB       PRO  24  -9.697   3.833  -9.916
  161   1HG   PRO  24          1HG       PRO  24 -10.554   2.022  -7.742
  162   2HG   PRO  24          2HG       PRO  24 -10.077   1.622  -9.380
  163   1HD   PRO  24          1HD       PRO  24  -8.499   1.303  -7.006
  164   2HD   PRO  24          2HD       PRO  24  -7.982   1.012  -8.655
  165    H    HIS  25           H        HIS  25 -10.105   3.622  -6.317
  166    HA   HIS  25           HA       HIS  25  -9.717   6.148  -4.970
  167   1HB   HIS  25          1HB       HIS  25 -11.643   5.549  -3.672
  168   2HB   HIS  25          2HB       HIS  25 -11.982   5.249  -5.365
  169    HD1  HIS  25           HD1      HIS  25 -13.751   3.797  -3.432
  170    HD2  HIS  25           HD2      HIS  25 -10.084   2.215  -4.716
  171    HE1  HIS  25           HE1      HIS  25 -13.894   1.276  -3.069
  172    HE2  HIS  25           HE2      HIS  25 -11.634   0.353  -3.926
  173    H    VAL  26           H        VAL  26  -7.522   5.897  -4.239
  174    HA   VAL  26           HA       VAL  26  -7.068   3.702  -2.376
  175    HB   VAL  26           HB       VAL  26  -4.726   4.510  -2.461
  176   1HG1  VAL  26          1HG1      VAL  26  -6.057   3.870  -5.113
  177   2HG1  VAL  26          2HG1      VAL  26  -4.303   3.803  -4.819
  178   3HG1  VAL  26          3HG1      VAL  26  -5.396   2.714  -3.931
  179   1HG2  VAL  26          1HG2      VAL  26  -5.623   6.903  -3.190
  180   2HG2  VAL  26          2HG2      VAL  26  -4.011   6.322  -3.674
  181   3HG2  VAL  26          3HG2      VAL  26  -5.370   6.235  -4.820
  182    H    THR  27           H        THR  27  -6.890   3.978  -0.174
  183    HA   THR  27           HA       THR  27  -6.639   6.666   0.885
  184    HB   THR  27           HB       THR  27  -8.770   6.759   1.883
  185    HG1  THR  27           HG1      THR  27  -9.855   4.747   2.387
  186   1HG2  THR  27          1HG2      THR  27  -9.178   4.985  -0.581
  187   2HG2  THR  27          2HG2      THR  27 -10.502   5.774   0.309
  188   3HG2  THR  27          3HG2      THR  27  -9.281   6.761  -0.528
  189    HA   PRO  28           HA       PRO  28  -4.696   4.618   4.121
  190   1HB   PRO  28          1HB       PRO  28  -5.427   5.964   6.384
  191   2HB   PRO  28          2HB       PRO  28  -4.227   6.565   5.258
  192   1HG   PRO  28          1HG       PRO  28  -7.018   7.458   5.642
  193   2HG   PRO  28          2HG       PRO  28  -5.697   8.295   4.852
  194   1HD   PRO  28          1HD       PRO  28  -7.878   6.939   3.575
  195   2HD   PRO  28          2HD       PRO  28  -6.496   7.675   2.787
  196    H    LYS  29           H        LYS  29  -6.980   3.255   3.247
  197    HA   LYS  29           HA       LYS  29  -7.213   1.408   5.297
  198   1HB   LYS  29          1HB       LYS  29  -8.532   3.497   6.214
  199   2HB   LYS  29          2HB       LYS  29  -9.796   2.931   5.140
  200   1HG   LYS  29          1HG       LYS  29  -8.443   0.928   6.956
  201   2HG   LYS  29          2HG       LYS  29  -9.616   2.028   7.651
  202   1HD   LYS  29          1HD       LYS  29 -11.366   1.252   6.151
  203   2HD   LYS  29          2HD       LYS  29 -10.220   0.358   5.173
  204   1HE   LYS  29          1HE       LYS  29 -10.788  -1.442   6.457
  205   2HE   LYS  29          2HE       LYS  29  -9.755  -0.731   7.681
  206   1HZ   LYS  29          1HZ       LYS  29 -12.166   0.560   7.865
  207   2HZ   LYS  29          2HZ       LYS  29 -12.536  -1.022   7.705
  208   3HZ   LYS  29          3HZ       LYS  29 -11.551  -0.532   8.911
  209    H    GLU  30           H        GLU  30  -8.991   3.074   2.623
  210    HA   GLU  30           HA       GLU  30 -10.220   0.703   1.768
  211   1HB   GLU  30          1HB       GLU  30 -11.201   2.864   1.233
  212   2HB   GLU  30          2HB       GLU  30  -9.748   3.385   0.404
  213   1HG   GLU  30          1HG       GLU  30 -10.370   2.360  -1.529
  214   2HG   GLU  30          2HG       GLU  30 -10.704   0.850  -0.706
  215    H    CYS  31           H        CYS  31  -7.228   2.480   0.838
  216    HA   CYS  31           HA       CYS  31  -6.655   0.858  -1.381
  217   1HB   CYS  31          1HB       CYS  31  -5.525   2.828  -1.497
  218   2HB   CYS  31          2HB       CYS  31  -5.221   2.901   0.228
  219    H    ASN  32           H        ASN  32  -6.087   0.669   2.139
  220    HA   ASN  32           HA       ASN  32  -4.304  -1.554   1.802
  221   1HB   ASN  32          1HB       ASN  32  -3.579  -0.858   3.852
  222   2HB   ASN  32          2HB       ASN  32  -4.797   0.403   3.831
  223   2HD2  ASN  32          2HD2      ASN  32  -7.067  -0.368   4.352
  224   1HD2  ASN  32          1HD2      ASN  32  -7.251  -1.440   5.701
  225    H    ASN  33           H        ASN  33  -7.607  -1.069   1.618
  226    HA   ASN  33           HA       ASN  33  -8.306  -3.426   3.139
  227   1HB   ASN  33          1HB       ASN  33  -9.802  -1.518   3.443
  228   2HB   ASN  33          2HB       ASN  33  -9.949  -1.277   1.713
  229   2HD2  ASN  33          2HD2      ASN  33 -11.531  -2.334   4.317
  230   1HD2  ASN  33          1HD2      ASN  33 -12.601  -3.517   3.642
  231    H    ARG  34           H        ARG  34  -8.262  -2.009  -0.180
  232    HA   ARG  34           HA       ARG  34  -9.633  -4.012  -1.459
  233   1HB   ARG  34          1HB       ARG  34  -8.555  -1.643  -2.234
  234   2HB   ARG  34          2HB       ARG  34  -7.312  -2.702  -2.870
  235   1HG   ARG  34          1HG       ARG  34 -10.297  -2.983  -3.465
  236   2HG   ARG  34          2HG       ARG  34  -9.141  -2.209  -4.532
  237   1HD   ARG  34          1HD       ARG  34  -7.810  -4.475  -4.378
  238   2HD   ARG  34          2HD       ARG  34  -9.304  -5.144  -3.754
  239    HE   ARG  34           HE       ARG  34  -8.776  -4.356  -6.508
  240   1HH1  ARG  34          1HH1      ARG  34 -11.320  -4.731  -4.106
  241   2HH1  ARG  34          2HH1      ARG  34 -12.574  -4.947  -5.281
  242   1HH2  ARG  34          1HH2      ARG  34 -10.430  -4.641  -8.059
  243   2HH2  ARG  34          2HH2      ARG  34 -12.064  -4.895  -7.545
  244    H    GLY  35           H        GLY  35  -6.287  -3.805  -0.284
  245   1HA   GLY  35          1HA       GLY  35  -5.713  -6.438  -1.508
  246   2HA   GLY  35          2HA       GLY  35  -5.352  -6.062   0.165
  247    H    CYS  36           H        CYS  36  -3.873  -4.121   0.578
  248    HA   CYS  36           HA       CYS  36  -1.477  -4.460  -0.639
  249   1HB   CYS  36          1HB       CYS  36  -3.163  -3.119  -2.444
  250   2HB   CYS  36          2HB       CYS  36  -2.106  -1.883  -1.792
  251    H    CYS  37           H        CYS  37  -0.584  -1.648  -0.627
  252    HA   CYS  37           HA       CYS  37  -1.232  -0.968   2.150
  253   1HB   CYS  37          1HB       CYS  37   1.392  -1.235   0.772
  254   2HB   CYS  37          2HB       CYS  37   1.216   0.092   1.903
  255    H    PHE  38           H        PHE  38  -1.272   1.362   2.603
  256    HA   PHE  38           HA       PHE  38  -1.600   2.942   0.149
  257   1HB   PHE  38          1HB       PHE  38  -3.699   2.606   1.428
  258   2HB   PHE  38          2HB       PHE  38  -2.893   2.988   2.936
  259    HD1  PHE  38           HD1      PHE  38  -4.154   4.416  -0.220
  260    HD2  PHE  38           HD2      PHE  38  -2.615   5.248   3.646
  261    HE1  PHE  38           HE1      PHE  38  -4.836   6.819  -0.465
  262    HE2  PHE  38           HE2      PHE  38  -3.296   7.651   3.401
  263    HZ   PHE  38           HZ       PHE  38  -4.398   8.408   1.348
  264    H    ASP  39           H        ASP  39  -1.399   5.440   0.726
  265    HA   ASP  39           HA       ASP  39   0.184   6.204   2.842
  266   1HB   ASP  39          1HB       ASP  39   1.985   4.906   1.780
  267   2HB   ASP  39          2HB       ASP  39   1.690   5.684   0.238
  268    H    SER  40           H        SER  40   0.420   8.546   2.785
  269    HA   SER  40           HA       SER  40  -0.434   9.783   0.295
  270   1HB   SER  40          1HB       SER  40  -1.915  11.310   1.487
  271   2HB   SER  40          2HB       SER  40  -2.374   9.662   1.866
  272    HG   SER  40           HG       SER  40  -2.042  11.429   3.662
  273    H    ARG  41           H        ARG  41   2.143   9.309   2.032
  274    HA   ARG  41           HA       ARG  41   2.910  11.670   3.164
  275   1HB   ARG  41          1HB       ARG  41   4.056   9.218   2.874
  276   2HB   ARG  41          2HB       ARG  41   4.981  10.080   1.661
  277   1HG   ARG  41          1HG       ARG  41   4.904  11.815   3.915
  278   2HG   ARG  41          2HG       ARG  41   5.188  10.216   4.574
  279   1HD   ARG  41          1HD       ARG  41   7.222   9.938   3.402
  280   2HD   ARG  41          2HD       ARG  41   6.784  11.087   2.154
  281    HE   ARG  41           HE       ARG  41   6.910  12.470   4.661
  282   1HH1  ARG  41          1HH1      ARG  41   9.027  10.925   2.312
  283   2HH1  ARG  41          2HH1      ARG  41  10.394  11.916   2.702
  284   1HH2  ARG  41          1HH2      ARG  41   8.712  13.778   5.175
  285   2HH2  ARG  41          2HH2      ARG  41  10.213  13.550   4.341
  286    H    ILE  42           H        ILE  42   3.463  10.441  -0.214
  287    HA   ILE  42           HA       ILE  42   3.572  13.204  -1.112
  288    HB   ILE  42           HB       ILE  42   5.589  12.113  -2.588
  289   1HG1  ILE  42          1HG1      ILE  42   7.184  11.117  -0.976
  290   2HG1  ILE  42          2HG1      ILE  42   5.930  11.095   0.248
  291   1HG2  ILE  42          1HG2      ILE  42   5.270  14.102  -0.483
  292   2HG2  ILE  42          2HG2      ILE  42   6.905  13.399  -0.512
  293   3HG2  ILE  42          3HG2      ILE  42   6.234  14.155  -1.978
  294   1HD1  ILE  42          1HD1      ILE  42   5.102   9.870  -2.327
  295   2HD1  ILE  42          2HD1      ILE  42   6.441   9.029  -1.509
  296   3HD1  ILE  42          3HD1      ILE  42   4.893   9.272  -0.663
  297    HA   PRO  43           HA       PRO  43   1.146  11.327  -4.170
  298   1HB   PRO  43          1HB       PRO  43   0.814  13.477  -5.824
  299   2HB   PRO  43          2HB       PRO  43  -0.154  13.215  -4.387
  300   1HG   PRO  43          1HG       PRO  43   2.047  15.141  -4.813
  301   2HG   PRO  43          2HG       PRO  43   0.809  15.146  -3.573
  302   1HD   PRO  43          1HD       PRO  43   3.550  14.360  -3.259
  303   2HD   PRO  43          2HD       PRO  43   2.285  14.256  -2.051
  304    H    GLY  44           H        GLY  44   3.980  13.148  -5.115
  305   1HA   GLY  44          1HA       GLY  44   5.635  12.536  -6.533
  306   2HA   GLY  44          2HA       GLY  44   4.326  12.471  -7.697
  307    H    VAL  45           H        VAL  45   4.429  10.274  -4.890
  308    HA   VAL  45           HA       VAL  45   5.327   8.122  -6.666
  309    HB   VAL  45           HB       VAL  45   6.308   7.138  -4.886
  310   1HG1  VAL  45          1HG1      VAL  45   6.139  10.035  -3.998
  311   2HG1  VAL  45          2HG1      VAL  45   7.259   8.834  -3.311
  312   3HG1  VAL  45          3HG1      VAL  45   7.387   9.291  -5.027
  313   1HG2  VAL  45          1HG2      VAL  45   4.110   8.331  -3.181
  314   2HG2  VAL  45          2HG2      VAL  45   4.415   6.619  -3.561
  315   3HG2  VAL  45          3HG2      VAL  45   5.523   7.502  -2.484
  316    HA   PRO  46           HA       PRO  46   1.488   6.154  -6.360
  317   1HB   PRO  46          1HB       PRO  46   2.048   3.509  -5.963
  318   2HB   PRO  46          2HB       PRO  46   2.185   4.294  -7.524
  319   1HG   PRO  46          1HG       PRO  46   4.334   3.471  -5.669
  320   2HG   PRO  46          2HG       PRO  46   4.444   3.855  -7.375
  321   1HD   PRO  46          1HD       PRO  46   5.235   5.530  -5.185
  322   2HD   PRO  46          2HD       PRO  46   5.237   5.957  -6.885
  323    H    TRP  47           H        TRP  47   0.553   7.249  -4.620
  324    HA   TRP  47           HA       TRP  47   0.950   6.952  -2.032
  325   1HB   TRP  47          1HB       TRP  47  -1.538   7.236  -3.640
  326   2HB   TRP  47          2HB       TRP  47  -1.718   6.883  -1.933
  327    HD1  TRP  47           HD1      TRP  47   1.184   9.149  -3.056
  328    HE1  TRP  47           HE1      TRP  47   0.850  11.626  -2.211
  329    HE3  TRP  47           HE3      TRP  47  -3.546   8.475  -1.316
  330    HZ2  TRP  47           HZ2      TRP  47  -1.307  12.996  -0.939
  331    HZ3  TRP  47           HZ3      TRP  47  -4.695  10.433  -0.287
  332    HH2  TRP  47           HH2      TRP  47  -3.652  12.634  -0.085
  333    H    CYS  48           H        CYS  48  -1.028   4.641  -4.028
  334    HA   CYS  48           HA       CYS  48  -0.937   2.764  -1.819
  335   1HB   CYS  48          1HB       CYS  48  -3.032   3.332  -3.200
  336   2HB   CYS  48          2HB       CYS  48  -2.321   2.345  -4.461
  337    H    PHE  49           H        PHE  49   0.902   1.513  -1.731
  338    HA   PHE  49           HA       PHE  49   1.880   0.452  -4.283
  339   1HB   PHE  49          1HB       PHE  49   4.186   0.655  -3.063
  340   2HB   PHE  49          2HB       PHE  49   3.473   2.156  -3.619
  341    HD1  PHE  49           HD1      PHE  49   3.622  -0.017  -0.592
  342    HD2  PHE  49           HD2      PHE  49   3.250   3.920  -2.133
  343    HE1  PHE  49           HE1      PHE  49   3.749   0.907   1.738
  344    HE2  PHE  49           HE2      PHE  49   3.377   4.844   0.198
  345    HZ   PHE  49           HZ       PHE  49   3.625   3.326   2.105
  346    H    LYS  50           H        LYS  50   3.199  -1.578  -4.005
  347    HA   LYS  50           HA       LYS  50   1.807  -3.388  -2.376
  348   1HB   LYS  50          1HB       LYS  50   4.489  -3.768  -3.739
  349   2HB   LYS  50          2HB       LYS  50   3.391  -5.026  -3.208
  350   1HG   LYS  50          1HG       LYS  50   1.625  -3.872  -4.758
  351   2HG   LYS  50          2HG       LYS  50   2.987  -3.020  -5.458
  352   1HD   LYS  50          1HD       LYS  50   2.883  -4.894  -6.854
  353   2HD   LYS  50          2HD       LYS  50   4.060  -5.433  -5.672
  354   1HE   LYS  50          1HE       LYS  50   2.503  -6.838  -4.559
  355   2HE   LYS  50          2HE       LYS  50   1.116  -5.968  -5.185
  356   1HZ   LYS  50          1HZ       LYS  50   1.885  -6.775  -7.423
  357   2HZ   LYS  50          2HZ       LYS  50   2.873  -7.806  -6.631
  358   3HZ   LYS  50          3HZ       LYS  50   1.256  -7.904  -6.424
  359    HA   PRO  51           HA       PRO  51   4.053  -3.312   1.309
  360   1HB   PRO  51          1HB       PRO  51   4.152  -5.928   2.093
  361   2HB   PRO  51          2HB       PRO  51   2.729  -4.923   2.286
  362   1HG   PRO  51          1HG       PRO  51   3.229  -7.068   0.314
  363   2HG   PRO  51          2HG       PRO  51   1.703  -6.358   0.800
  364   1HD   PRO  51          1HD       PRO  51   3.144  -5.837  -1.625
  365   2HD   PRO  51          2HD       PRO  51   1.678  -5.043  -1.086
  366    H    LEU  52           H        LEU  52   6.078  -2.677   1.645
  367    HA   LEU  52           HA       LEU  52   8.156  -3.201   0.095
  368   1HB   LEU  52          1HB       LEU  52   8.335  -1.651   1.865
  369   2HB   LEU  52          2HB       LEU  52   8.048  -2.876   3.085
  370    HG   LEU  52           HG       LEU  52  10.512  -2.753   1.324
  371   1HD1  LEU  52          1HD1      LEU  52  10.088  -1.806   4.170
  372   2HD1  LEU  52          2HD1      LEU  52  11.675  -1.991   3.387
  373   3HD1  LEU  52          3HD1      LEU  52  10.499  -0.817   2.749
  374   1HD2  LEU  52          1HD2      LEU  52   9.480  -4.728   3.239
  375   2HD2  LEU  52          2HD2      LEU  52  10.698  -4.893   1.951
  376   3HD2  LEU  52          3HD2      LEU  52  11.164  -4.230   3.536
  377    H    GLN  53           H        GLN  53   9.351  -4.904  -0.588
  378    HA   GLN  53           HA       GLN  53   8.618  -7.468   0.127
  379   1HB   GLN  53          1HB       GLN  53  10.902  -8.028  -1.039
  380   2HB   GLN  53          2HB       GLN  53   9.619  -7.295  -1.982
  381   1HG   GLN  53          1HG       GLN  53  11.393  -5.342  -0.596
  382   2HG   GLN  53          2HG       GLN  53  12.200  -6.316  -1.809
  383   2HE2  GLN  53          2HE2      GLN  53  10.525  -3.545  -1.267
  384   1HE2  GLN  53          1HE2      GLN  53   9.939  -3.185  -2.857
  385    H    GLU  54           H        GLU  54   8.668  -7.458   2.499
  386    HA   GLU  54           HA       GLU  54  11.012  -6.930   3.896
  387   1HB   GLU  54          1HB       GLU  54   9.864  -7.932   5.807
  388   2HB   GLU  54          2HB       GLU  54   8.729  -6.954   4.898
  389   1HG   GLU  54          1HG       GLU  54   8.619  -9.555   3.729
  390   2HG   GLU  54          2HG       GLU  54   8.639  -9.813   5.462
  391    H    ALA  55           H        ALA  55  12.612  -8.088   2.513
  392    HA   ALA  55           HA       ALA  55  12.703 -10.940   3.227
  393   1HB   ALA  55          1HB       ALA  55  12.404 -11.139   0.960
  394   2HB   ALA  55          2HB       ALA  55  14.162 -10.864   0.961
  395   3HB   ALA  55          3HB       ALA  55  13.051  -9.516   0.621
  396    H    GLU  56           H        GLU  56  15.011 -11.801   3.246
  397    HA   GLU  56           HA       GLU  56  16.816  -9.663   4.071
  398   1HB   GLU  56          1HB       GLU  56  15.808 -11.913   5.616
  399   2HB   GLU  56          2HB       GLU  56  17.548 -12.042   5.458
  400   1HG   GLU  56          1HG       GLU  56  16.307  -9.375   6.192
  401   2HG   GLU  56          2HG       GLU  56  16.502 -10.605   7.425
  402    H    CYS  57           H        CYS  57  17.267  -9.982   1.611
  403    HA   CYS  57           HA       CYS  57  18.976 -12.312   1.202
  404   1HB   CYS  57          1HB       CYS  57  16.992 -11.327  -0.376
  405   2HB   CYS  57          2HB       CYS  57  18.384 -10.522  -1.073
  406    H    THR  58           H        THR  58  20.991 -11.746   2.056
  407    HA   THR  58           HA       THR  58  22.911 -10.656   2.322
  408    HB   THR  58           HB       THR  58  22.100  -9.708  -0.471
  409    HG1  THR  58           HG1      THR  58  23.959 -11.636   0.736
  410   1HG2  THR  58          1HG2      THR  58  24.419  -8.948   1.220
  411   2HG2  THR  58          2HG2      THR  58  24.890  -9.721  -0.313
  412   3HG2  THR  58          3HG2      THR  58  23.879  -8.256  -0.329
  413    H    PHE  59           H        PHE  59  22.552  -9.437   4.137
  414    HA   PHE  59           HA       PHE  59  22.152  -7.649   5.370
  415   1HB   PHE  59          1HB       PHE  59  23.148  -6.535   2.702
  416   2HB   PHE  59          2HB       PHE  59  22.741  -5.422   3.993
  417    HD1  PHE  59           HD1      PHE  59  24.581  -8.677   3.841
  418    HD2  PHE  59           HD2      PHE  59  24.614  -4.607   5.040
  419    HE1  PHE  59           HE1      PHE  59  26.868  -8.986   4.828
  420    HE2  PHE  59           HE2      PHE  59  26.900  -4.916   6.028
  421    HZ   PHE  59           HZ       PHE  59  28.000  -7.102   5.910

  No H/Q in entry =         421
  Start of MODEL   27
    1    H    GLU   1           H        GLU   1   5.859 -17.635  17.016
    2    HA   GLU   1           HA       GLU   1   5.348 -17.408  14.649
    3   1HB   GLU   1          1HB       GLU   1   2.787 -18.633  15.660
    4   2HB   GLU   1          2HB       GLU   1   2.689 -17.497  14.328
    5   1HG   GLU   1          1HG       GLU   1   4.112 -18.841  12.929
    6   2HG   GLU   1          2HG       GLU   1   4.669 -19.808  14.281
    7    H    GLU   2           H        GLU   2   4.398 -15.361  13.850
    8    HA   GLU   2           HA       GLU   2   2.865 -13.759  15.544
    9   1HB   GLU   2          1HB       GLU   2   4.565 -12.017  16.088
   10   2HB   GLU   2          2HB       GLU   2   4.902 -13.544  16.878
   11   1HG   GLU   2          1HG       GLU   2   6.151 -12.898  14.185
   12   2HG   GLU   2          2HG       GLU   2   6.863 -12.282  15.663
   13    H    TYR   3           H        TYR   3   3.035 -11.298  14.645
   14    HA   TYR   3           HA       TYR   3   3.938 -11.045  11.965
   15   1HB   TYR   3          1HB       TYR   3   1.685 -12.519  12.103
   16   2HB   TYR   3          2HB       TYR   3   0.913 -10.979  12.428
   17    HD1  TYR   3           HD1      TYR   3   3.650 -11.932  10.039
   18    HD2  TYR   3           HD2      TYR   3  -0.295 -10.354  10.544
   19    HE1  TYR   3           HE1      TYR   3   3.507 -11.471   7.543
   20    HE2  TYR   3           HE2      TYR   3  -0.424  -9.899   8.046
   21    HH   TYR   3           HH       TYR   3   1.877 -11.178   5.860
   22    H    VAL   4           H        VAL   4   3.173  -8.892  11.008
   23    HA   VAL   4           HA       VAL   4   2.307  -7.039  13.094
   24    HB   VAL   4           HB       VAL   4   4.743  -7.022  13.116
   25   1HG1  VAL   4          1HG1      VAL   4   4.386  -6.873  10.171
   26   2HG1  VAL   4          2HG1      VAL   4   5.683  -5.865  10.857
   27   3HG1  VAL   4          3HG1      VAL   4   5.678  -7.623  11.137
   28   1HG2  VAL   4          1HG2      VAL   4   3.489  -4.552  11.872
   29   2HG2  VAL   4          2HG2      VAL   4   3.619  -4.936  13.605
   30   3HG2  VAL   4          3HG2      VAL   4   5.086  -4.595  12.657
   31    H    GLY   5           H        GLY   5   0.960  -5.414  12.336
   32   1HA   GLY   5          1HA       GLY   5  -0.454  -5.781  10.003
   33   2HA   GLY   5          2HA       GLY   5   0.847  -4.687   9.579
   34    H    LEU   6           H        LEU   6   1.012  -3.532  12.365
   35    HA   LEU   6           HA       LEU   6  -1.408  -1.882  12.174
   36   1HB   LEU   6          1HB       LEU   6  -0.922  -1.690  14.774
   37   2HB   LEU   6          2HB       LEU   6  -1.989  -2.896  14.083
   38    HG   LEU   6           HG       LEU   6  -0.369  -3.692  15.857
   39   1HD1  LEU   6          1HD1      LEU   6  -0.922  -4.927  13.231
   40   2HD1  LEU   6          2HD1      LEU   6   0.398  -5.669  14.167
   41   3HD1  LEU   6          3HD1      LEU   6  -1.227  -5.527  14.879
   42   1HD2  LEU   6          1HD2      LEU   6   1.520  -2.389  14.274
   43   2HD2  LEU   6          2HD2      LEU   6   1.834  -3.460  15.660
   44   3HD2  LEU   6          3HD2      LEU   6   1.828  -4.121  14.008
   45    H    SER   7           H        SER   7   0.909  -1.304  10.731
   46    HA   SER   7           HA       SER   7   1.391   1.256  11.455
   47   1HB   SER   7          1HB       SER   7   3.835   1.051  12.255
   48   2HB   SER   7          2HB       SER   7   2.583   0.697  13.429
   49    HG   SER   7           HG       SER   7   2.921  -1.650  12.494
   50    H    ALA   8           H        ALA   8   3.901   1.847  10.476
   51    HA   ALA   8           HA       ALA   8   3.661   1.469   7.769
   52   1HB   ALA   8          1HB       ALA   8   5.055   3.216   8.387
   53   2HB   ALA   8          2HB       ALA   8   5.874   2.261   9.646
   54   3HB   ALA   8          3HB       ALA   8   6.259   1.987   7.930
   55    H    ASN   9           H        ASN   9   6.777   0.325   8.924
   56    HA   ASN   9           HA       ASN   9   7.906  -1.468   8.430
   57   1HB   ASN   9          1HB       ASN   9   5.294  -2.598   9.482
   58   2HB   ASN   9          2HB       ASN   9   6.506  -3.714   8.885
   59   2HD2  ASN   9          2HD2      ASN   9   5.386  -2.973  11.602
   60   1HD2  ASN   9          1HD2      ASN   9   6.766  -2.726  12.618
   61    H    GLN  10           H        GLN  10   4.891  -3.224   7.615
   62    HA   GLN  10           HA       GLN  10   5.763  -4.216   5.264
   63   1HB   GLN  10          1HB       GLN  10   3.510  -4.507   6.739
   64   2HB   GLN  10          2HB       GLN  10   2.845  -3.538   5.440
   65   1HG   GLN  10          1HG       GLN  10   3.986  -5.211   3.814
   66   2HG   GLN  10          2HG       GLN  10   4.244  -6.234   5.214
   67   2HE2  GLN  10          2HE2      GLN  10   2.091  -6.092   6.705
   68   1HE2  GLN  10          1HE2      GLN  10   0.652  -6.590   5.879
   69    H    CYS  11           H        CYS  11   4.152  -1.069   5.893
   70    HA   CYS  11           HA       CYS  11   4.554  -0.433   3.061
   71   1HB   CYS  11          1HB       CYS  11   2.775   1.302   4.653
   72   2HB   CYS  11          2HB       CYS  11   2.633   0.744   2.998
   73    H    ALA  12           H        ALA  12   6.814  -0.359   4.624
   74    HA   ALA  12           HA       ALA  12   7.063   2.468   5.393
   75   1HB   ALA  12          1HB       ALA  12   9.204   0.690   6.284
   76   2HB   ALA  12          2HB       ALA  12   7.608   0.129   6.839
   77   3HB   ALA  12          3HB       ALA  12   8.160   1.775   7.234
   78    H    VAL  13           H        VAL  13   7.076   2.005   2.686
   79    HA   VAL  13           HA       VAL  13   9.806   1.529   1.860
   80    HB   VAL  13           HB       VAL  13   7.791   2.522  -0.057
   81   1HG1  VAL  13          1HG1      VAL  13  10.068   0.643   0.054
   82   2HG1  VAL  13          2HG1      VAL  13   8.715   0.122  -0.979
   83   3HG1  VAL  13          3HG1      VAL  13   9.504   1.691  -1.270
   84   1HG2  VAL  13          1HG2      VAL  13   7.318   0.110   1.663
   85   2HG2  VAL  13          2HG2      VAL  13   6.160   1.299   1.021
   86   3HG2  VAL  13          3HG2      VAL  13   6.848   0.058  -0.053
   87    HA   PRO  14           HA       PRO  14  10.879   5.717   1.805
   88   1HB   PRO  14          1HB       PRO  14  12.978   5.689   0.056
   89   2HB   PRO  14          2HB       PRO  14  13.124   5.212   1.735
   90   1HG   PRO  14          1HG       PRO  14  13.051   3.504  -0.676
   91   2HG   PRO  14          2HG       PRO  14  13.613   3.104   0.935
   92   1HD   PRO  14          1HD       PRO  14  11.123   2.326  -0.257
   93   2HD   PRO  14          2HD       PRO  14  11.635   2.026   1.392
   94    H    ALA  15           H        ALA  15   9.226   4.293  -0.574
   95    HA   ALA  15           HA       ALA  15   7.808   5.320  -2.000
   96   1HB   ALA  15          1HB       ALA  15   9.419   7.843  -2.176
   97   2HB   ALA  15          2HB       ALA  15   7.654   7.615  -2.178
   98   3HB   ALA  15          3HB       ALA  15   8.564   7.503  -0.652
   99    H    LYS  16           H        LYS  16  11.263   5.066  -2.167
  100    HA   LYS  16           HA       LYS  16  11.242   5.309  -5.071
  101   1HB   LYS  16          1HB       LYS  16  13.693   5.186  -4.861
  102   2HB   LYS  16          2HB       LYS  16  13.007   6.498  -3.924
  103   1HG   LYS  16          1HG       LYS  16  14.672   5.362  -2.550
  104   2HG   LYS  16          2HG       LYS  16  13.088   5.051  -1.868
  105   1HD   LYS  16          1HD       LYS  16  13.062   2.805  -2.577
  106   2HD   LYS  16          2HD       LYS  16  14.178   3.096  -3.897
  107   1HE   LYS  16          1HE       LYS  16  16.073   3.240  -2.402
  108   2HE   LYS  16          2HE       LYS  16  15.045   3.362  -0.988
  109   1HZ   LYS  16          1HZ       LYS  16  14.206   1.080  -1.887
  110   2HZ   LYS  16          2HZ       LYS  16  15.688   1.028  -2.572
  111   3HZ   LYS  16          3HZ       LYS  16  15.542   1.177  -0.952
  112    H    ASP  17           H        ASP  17  10.125   3.067  -3.086
  113    HA   ASP  17           HA       ASP  17  11.231   0.935  -4.726
  114   1HB   ASP  17          1HB       ASP  17  11.423   1.250  -1.845
  115   2HB   ASP  17          2HB       ASP  17  10.424  -0.148  -2.190
  116    H    ARG  18           H        ARG  18   8.678   2.756  -4.479
  117    HA   ARG  18           HA       ARG  18   6.648   0.999  -3.631
  118   1HB   ARG  18          1HB       ARG  18   6.318   3.439  -5.439
  119   2HB   ARG  18          2HB       ARG  18   5.114   2.746  -4.370
  120   1HG   ARG  18          1HG       ARG  18   7.735   4.035  -3.467
  121   2HG   ARG  18          2HG       ARG  18   6.160   4.802  -3.403
  122   1HD   ARG  18          1HD       ARG  18   5.441   2.699  -1.985
  123   2HD   ARG  18          2HD       ARG  18   7.162   2.431  -1.786
  124    HE   ARG  18           HE       ARG  18   7.166   4.161  -0.230
  125   1HH1  ARG  18          1HH1      ARG  18   4.521   4.710  -2.485
  126   2HH1  ARG  18          2HH1      ARG  18   3.956   6.133  -1.674
  127   1HH2  ARG  18          1HH2      ARG  18   6.421   6.038   0.840
  128   2HH2  ARG  18          2HH2      ARG  18   5.044   6.893   0.230
  129    H    VAL  19           H        VAL  19   5.715  -0.655  -4.802
  130    HA   VAL  19           HA       VAL  19   6.463  -0.915  -7.586
  131    HB   VAL  19           HB       VAL  19   4.886  -2.726  -5.746
  132   1HG1  VAL  19          1HG1      VAL  19   4.426  -3.150  -8.119
  133   2HG1  VAL  19          2HG1      VAL  19   6.171  -3.286  -8.441
  134   3HG1  VAL  19          3HG1      VAL  19   5.363  -4.480  -7.398
  135   1HG2  VAL  19          1HG2      VAL  19   7.418  -2.111  -5.277
  136   2HG2  VAL  19          2HG2      VAL  19   6.832  -3.784  -5.120
  137   3HG2  VAL  19          3HG2      VAL  19   7.709  -3.282  -6.585
  138    H    ASP  20           H        ASP  20   4.024   0.615  -5.792
  139    HA   ASP  20           HA       ASP  20   2.078   1.440  -6.272
  140   1HB   ASP  20          1HB       ASP  20   3.021   2.575  -8.141
  141   2HB   ASP  20          2HB       ASP  20   3.227   1.095  -9.055
  142    H    CYS  21           H        CYS  21   0.362   0.093  -5.676
  143    HA   CYS  21           HA       CYS  21   0.033  -2.458  -6.873
  144   1HB   CYS  21          1HB       CYS  21  -0.605  -1.480  -4.471
  145   2HB   CYS  21          2HB       CYS  21  -2.145  -1.216  -5.264
  146    H    GLY  22           H        GLY  22  -0.937   0.818  -7.573
  147   1HA   GLY  22          1HA       GLY  22  -2.221   0.083  -9.989
  148   2HA   GLY  22          2HA       GLY  22  -2.126   1.682  -9.279
  149    H    TYR  23           H        TYR  23  -3.771   2.408  -7.778
  150    HA   TYR  23           HA       TYR  23  -6.258   0.898  -8.096
  151   1HB   TYR  23          1HB       TYR  23  -4.701   1.748  -5.633
  152   2HB   TYR  23          2HB       TYR  23  -6.441   1.932  -5.543
  153    HD1  TYR  23           HD1      TYR  23  -7.762  -0.275  -6.458
  154    HD2  TYR  23           HD2      TYR  23  -3.824  -0.220  -4.787
  155    HE1  TYR  23           HE1      TYR  23  -7.984  -2.730  -5.838
  156    HE2  TYR  23           HE2      TYR  23  -4.059  -2.676  -4.172
  157    HH   TYR  23           HH       TYR  23  -6.137  -4.668  -5.479
  158    HA   PRO  24           HA       PRO  24  -7.809   4.865  -8.874
  159   1HB   PRO  24          1HB       PRO  24 -10.491   4.417  -8.600
  160   2HB   PRO  24          2HB       PRO  24  -9.594   4.010 -10.050
  161   1HG   PRO  24          1HG       PRO  24 -10.613   2.213  -7.935
  162   2HG   PRO  24          2HG       PRO  24 -10.105   1.814  -9.563
  163   1HD   PRO  24          1HD       PRO  24  -8.622   1.376  -7.147
  164   2HD   PRO  24          2HD       PRO  24  -8.068   1.084  -8.784
  165    H    HIS  25           H        HIS  25  -9.999   3.659  -6.384
  166    HA   HIS  25           HA       HIS  25  -9.612   6.185  -5.022
  167   1HB   HIS  25          1HB       HIS  25 -11.556   5.607  -3.750
  168   2HB   HIS  25          2HB       HIS  25 -11.887   5.308  -5.444
  169    HD1  HIS  25           HD1      HIS  25 -13.641   3.889  -3.422
  170    HD2  HIS  25           HD2      HIS  25 -10.068   2.244  -4.878
  171    HE1  HIS  25           HE1      HIS  25 -13.824   1.367  -3.082
  172    HE2  HIS  25           HE2      HIS  25 -11.623   0.406  -4.046
  173    H    VAL  26           H        VAL  26  -7.438   5.917  -4.262
  174    HA   VAL  26           HA       VAL  26  -7.034   3.696  -2.410
  175    HB   VAL  26           HB       VAL  26  -4.666   4.447  -2.501
  176   1HG1  VAL  26          1HG1      VAL  26  -5.470   2.643  -3.946
  177   2HG1  VAL  26          2HG1      VAL  26  -5.959   3.829  -5.179
  178   3HG1  VAL  26          3HG1      VAL  26  -4.237   3.618  -4.782
  179   1HG2  VAL  26          1HG2      VAL  26  -5.644   6.828  -3.421
  180   2HG2  VAL  26          2HG2      VAL  26  -3.953   6.295  -3.584
  181   3HG2  VAL  26          3HG2      VAL  26  -5.092   6.069  -4.933
  182    H    THR  27           H        THR  27  -6.902   3.979  -0.214
  183    HA   THR  27           HA       THR  27  -6.540   6.664   0.831
  184    HB   THR  27           HB       THR  27  -8.668   6.827   1.841
  185    HG1  THR  27           HG1      THR  27  -9.847   4.844   2.281
  186   1HG2  THR  27          1HG2      THR  27  -9.142   5.104  -0.649
  187   2HG2  THR  27          2HG2      THR  27 -10.427   5.959   0.238
  188   3HG2  THR  27          3HG2      THR  27  -9.146   6.883  -0.583
  189    HA   PRO  28           HA       PRO  28  -4.682   4.567   4.085
  190   1HB   PRO  28          1HB       PRO  28  -5.365   5.959   6.335
  191   2HB   PRO  28          2HB       PRO  28  -4.139   6.503   5.207
  192   1HG   PRO  28          1HG       PRO  28  -6.894   7.509   5.577
  193   2HG   PRO  28          2HG       PRO  28  -5.540   8.286   4.783
  194   1HD   PRO  28          1HD       PRO  28  -7.770   7.006   3.512
  195   2HD   PRO  28          2HD       PRO  28  -6.359   7.681   2.722
  196    H    LYS  29           H        LYS  29  -7.062   3.326   3.219
  197    HA   LYS  29           HA       LYS  29  -7.358   1.496   5.289
  198   1HB   LYS  29          1HB       LYS  29  -8.586   3.622   6.200
  199   2HB   LYS  29          2HB       LYS  29  -9.859   3.155   5.091
  200   1HG   LYS  29          1HG       LYS  29  -9.015   0.767   6.451
  201   2HG   LYS  29          2HG       LYS  29  -9.202   2.011   7.671
  202   1HD   LYS  29          1HD       LYS  29 -11.378   1.892   5.623
  203   2HD   LYS  29          2HD       LYS  29 -11.277   0.505   6.688
  204   1HE   LYS  29          1HE       LYS  29 -11.653   1.809   8.642
  205   2HE   LYS  29          2HE       LYS  29 -11.177   3.302   7.858
  206   1HZ   LYS  29          1HZ       LYS  29 -13.488   1.842   6.854
  207   2HZ   LYS  29          2HZ       LYS  29 -13.645   2.773   8.187
  208   3HZ   LYS  29          3HZ       LYS  29 -13.168   3.441   6.775
  209    H    GLU  30           H        GLU  30  -8.918   3.193   2.518
  210    HA   GLU  30           HA       GLU  30 -10.265   0.846   1.699
  211   1HB   GLU  30          1HB       GLU  30 -11.178   3.049   1.165
  212   2HB   GLU  30          2HB       GLU  30  -9.722   3.499   0.301
  213   1HG   GLU  30          1HG       GLU  30 -10.411   2.454  -1.600
  214   2HG   GLU  30          2HG       GLU  30 -10.797   0.979  -0.737
  215    H    CYS  31           H        CYS  31  -7.194   2.508   0.865
  216    HA   CYS  31           HA       CYS  31  -6.652   0.878  -1.374
  217   1HB   CYS  31          1HB       CYS  31  -5.505   2.849  -1.479
  218   2HB   CYS  31          2HB       CYS  31  -5.169   2.890   0.241
  219    H    ASN  32           H        ASN  32  -6.008   0.769   2.153
  220    HA   ASN  32           HA       ASN  32  -4.277  -1.481   1.869
  221   1HB   ASN  32          1HB       ASN  32  -3.717  -1.031   4.060
  222   2HB   ASN  32          2HB       ASN  32  -4.568   0.477   3.793
  223   2HD2  ASN  32          2HD2      ASN  32  -4.269  -2.081   5.797
  224   1HD2  ASN  32          1HD2      ASN  32  -5.816  -2.098   6.576
  225    H    ASN  33           H        ASN  33  -7.592  -0.989   1.636
  226    HA   ASN  33           HA       ASN  33  -8.287  -3.402   3.075
  227   1HB   ASN  33          1HB       ASN  33  -9.809  -1.567   3.506
  228   2HB   ASN  33          2HB       ASN  33  -9.906  -1.146   1.807
  229   2HD2  ASN  33          2HD2      ASN  33 -11.787  -1.599   0.980
  230   1HD2  ASN  33          1HD2      ASN  33 -12.774  -2.987   1.294
  231    H    ARG  34           H        ARG  34  -8.258  -1.836  -0.174
  232    HA   ARG  34           HA       ARG  34  -9.660  -3.727  -1.556
  233   1HB   ARG  34          1HB       ARG  34  -8.412  -1.383  -2.201
  234   2HB   ARG  34          2HB       ARG  34  -7.267  -2.505  -2.908
  235   1HG   ARG  34          1HG       ARG  34  -9.086  -1.769  -4.503
  236   2HG   ARG  34          2HG       ARG  34  -8.975  -3.508  -4.314
  237   1HD   ARG  34          1HD       ARG  34 -10.801  -2.191  -2.363
  238   2HD   ARG  34          2HD       ARG  34 -11.307  -2.034  -4.033
  239    HE   ARG  34           HE       ARG  34 -10.503  -4.758  -3.459
  240   1HH1  ARG  34          1HH1      ARG  34 -13.141  -2.473  -3.015
  241   2HH1  ARG  34          2HH1      ARG  34 -14.355  -3.702  -2.895
  242   1HH2  ARG  34          1HH2      ARG  34 -12.104  -6.381  -3.300
  243   2HH2  ARG  34          2HH2      ARG  34 -13.762  -5.940  -3.058
  244    H    GLY  35           H        GLY  35  -6.349  -3.752  -0.289
  245   1HA   GLY  35          1HA       GLY  35  -5.880  -6.355  -1.619
  246   2HA   GLY  35          2HA       GLY  35  -5.522  -6.056   0.070
  247    H    CYS  36           H        CYS  36  -3.992  -4.131   0.536
  248    HA   CYS  36           HA       CYS  36  -1.575  -4.567  -0.598
  249   1HB   CYS  36          1HB       CYS  36  -3.159  -3.174  -2.470
  250   2HB   CYS  36          2HB       CYS  36  -2.045  -1.992  -1.812
  251    H    CYS  37           H        CYS  37  -0.571  -1.798  -0.594
  252    HA   CYS  37           HA       CYS  37  -1.255  -1.077   2.164
  253   1HB   CYS  37          1HB       CYS  37   1.359  -1.408   0.804
  254   2HB   CYS  37          2HB       CYS  37   1.211  -0.019   1.862
  255    H    PHE  38           H        PHE  38  -1.194   1.277   2.614
  256    HA   PHE  38           HA       PHE  38  -1.544   2.845   0.155
  257   1HB   PHE  38          1HB       PHE  38  -3.652   2.533   1.418
  258   2HB   PHE  38          2HB       PHE  38  -2.852   2.896   2.934
  259    HD1  PHE  38           HD1      PHE  38  -4.066   4.362  -0.224
  260    HD2  PHE  38           HD2      PHE  38  -2.563   5.144   3.666
  261    HE1  PHE  38           HE1      PHE  38  -4.719   6.775  -0.457
  262    HE2  PHE  38           HE2      PHE  38  -3.216   7.557   3.434
  263    HZ   PHE  38           HZ       PHE  38  -4.286   8.343   1.375
  264    H    ASP  39           H        ASP  39  -1.321   5.340   0.720
  265    HA   ASP  39           HA       ASP  39   0.288   6.069   2.847
  266   1HB   ASP  39          1HB       ASP  39   2.088   4.834   1.755
  267   2HB   ASP  39          2HB       ASP  39   1.721   5.561   0.204
  268    H    SER  40           H        SER  40   0.524   8.414   2.834
  269    HA   SER  40           HA       SER  40  -0.375   9.710   0.394
  270   1HB   SER  40          1HB       SER  40  -1.843  11.211   1.667
  271   2HB   SER  40          2HB       SER  40  -2.322   9.545   1.926
  272    HG   SER  40           HG       SER  40  -1.459  11.419   3.760
  273    H    ARG  41           H        ARG  41   2.204   9.213   2.136
  274    HA   ARG  41           HA       ARG  41   2.940  11.571   3.308
  275   1HB   ARG  41          1HB       ARG  41   4.102   9.127   3.017
  276   2HB   ARG  41          2HB       ARG  41   5.040  10.002   1.823
  277   1HG   ARG  41          1HG       ARG  41   5.626  11.723   3.547
  278   2HG   ARG  41          2HG       ARG  41   4.693  10.842   4.741
  279   1HD   ARG  41          1HD       ARG  41   6.198   8.805   4.236
  280   2HD   ARG  41          2HD       ARG  41   7.213   9.889   3.307
  281    HE   ARG  41           HE       ARG  41   6.849  11.148   5.800
  282   1HH1  ARG  41          1HH1      ARG  41   8.220   8.128   4.624
  283   2HH1  ARG  41          2HH1      ARG  41   9.365   7.996   5.917
  284   1HH2  ARG  41          1HH2      ARG  41   8.360  10.974   7.506
  285   2HH2  ARG  41          2HH2      ARG  41   9.445   9.626   7.567
  286    H    ILE  42           H        ILE  42   3.478  10.380  -0.081
  287    HA   ILE  42           HA       ILE  42   3.622  13.148  -0.947
  288    HB   ILE  42           HB       ILE  42   5.636  12.047  -2.429
  289   1HG1  ILE  42          1HG1      ILE  42   7.223  11.049  -0.808
  290   2HG1  ILE  42          2HG1      ILE  42   5.964  11.033   0.411
  291   1HG2  ILE  42          1HG2      ILE  42   5.308  14.287  -1.089
  292   2HG2  ILE  42          2HG2      ILE  42   6.321  13.461   0.119
  293   3HG2  ILE  42          3HG2      ILE  42   6.933  13.713  -1.534
  294   1HD1  ILE  42          1HD1      ILE  42   5.117   9.810  -2.151
  295   2HD1  ILE  42          2HD1      ILE  42   6.478   8.972  -1.367
  296   3HD1  ILE  42          3HD1      ILE  42   4.947   9.199  -0.488
  297    HA   PRO  43           HA       PRO  43   1.197  11.325  -4.037
  298   1HB   PRO  43          1HB       PRO  43   0.906  13.488  -5.682
  299   2HB   PRO  43          2HB       PRO  43  -0.074  13.232  -4.253
  300   1HG   PRO  43          1HG       PRO  43   2.157  15.129  -4.655
  301   2HG   PRO  43          2HG       PRO  43   0.911  15.145  -3.423
  302   1HD   PRO  43          1HD       PRO  43   3.639  14.319  -3.095
  303   2HD   PRO  43          2HD       PRO  43   2.364  14.226  -1.896
  304    H    GLY  44           H        GLY  44   4.084  13.081  -4.927
  305   1HA   GLY  44          1HA       GLY  44   5.752  12.391  -6.306
  306   2HA   GLY  44          2HA       GLY  44   4.475  12.489  -7.502
  307    H    VAL  45           H        VAL  45   4.798  10.153  -4.757
  308    HA   VAL  45           HA       VAL  45   5.390   8.045  -6.679
  309    HB   VAL  45           HB       VAL  45   6.312   6.890  -4.953
  310   1HG1  VAL  45          1HG1      VAL  45   7.056   9.491  -5.091
  311   2HG1  VAL  45          2HG1      VAL  45   6.596   9.388  -3.375
  312   3HG1  VAL  45          3HG1      VAL  45   7.837   8.293  -4.031
  313   1HG2  VAL  45          1HG2      VAL  45   4.345   8.271  -3.104
  314   2HG2  VAL  45          2HG2      VAL  45   4.375   6.559  -3.590
  315   3HG2  VAL  45          3HG2      VAL  45   5.655   7.207  -2.536
  316    HA   PRO  46           HA       PRO  46   1.460   6.263  -6.392
  317   1HB   PRO  46          1HB       PRO  46   1.892   3.574  -6.162
  318   2HB   PRO  46          2HB       PRO  46   2.034   4.442  -7.678
  319   1HG   PRO  46          1HG       PRO  46   4.179   3.406  -5.928
  320   2HG   PRO  46          2HG       PRO  46   4.270   3.883  -7.612
  321   1HD   PRO  46          1HD       PRO  46   5.196   5.385  -5.351
  322   2HD   PRO  46          2HD       PRO  46   5.180   5.910  -7.022
  323    H    TRP  47           H        TRP  47   0.606   7.290  -4.576
  324    HA   TRP  47           HA       TRP  47   1.023   6.886  -2.026
  325   1HB   TRP  47          1HB       TRP  47  -1.510   7.188  -3.564
  326   2HB   TRP  47          2HB       TRP  47  -1.634   6.800  -1.859
  327    HD1  TRP  47           HD1      TRP  47   1.237   9.096  -2.965
  328    HE1  TRP  47           HE1      TRP  47   0.898  11.560  -2.082
  329    HE3  TRP  47           HE3      TRP  47  -3.492   8.387  -1.237
  330    HZ2  TRP  47           HZ2      TRP  47  -1.262  12.905  -0.789
  331    HZ3  TRP  47           HZ3      TRP  47  -4.645  10.327  -0.178
  332    HH2  TRP  47           HH2      TRP  47  -3.606  12.526   0.059
  333    H    CYS  48           H        CYS  48  -1.089   4.657  -3.986
  334    HA   CYS  48           HA       CYS  48  -0.911   2.704  -1.865
  335   1HB   CYS  48          1HB       CYS  48  -3.014   3.311  -3.240
  336   2HB   CYS  48          2HB       CYS  48  -2.310   2.320  -4.502
  337    H    PHE  49           H        PHE  49   0.746   1.226  -1.845
  338    HA   PHE  49           HA       PHE  49   1.743   0.286  -4.418
  339   1HB   PHE  49          1HB       PHE  49   4.090   0.508  -3.294
  340   2HB   PHE  49          2HB       PHE  49   3.345   2.009  -3.809
  341    HD1  PHE  49           HD1      PHE  49   3.703  -0.180  -0.816
  342    HD2  PHE  49           HD2      PHE  49   3.102   3.754  -2.292
  343    HE1  PHE  49           HE1      PHE  49   3.921   0.728   1.514
  344    HE2  PHE  49           HE2      PHE  49   3.320   4.661   0.039
  345    HZ   PHE  49           HZ       PHE  49   3.726   3.137   1.913
  346    H    LYS  50           H        LYS  50   3.230  -1.685  -4.088
  347    HA   LYS  50           HA       LYS  50   1.851  -3.530  -2.461
  348   1HB   LYS  50          1HB       LYS  50   4.541  -3.882  -3.811
  349   2HB   LYS  50          2HB       LYS  50   3.432  -5.142  -3.310
  350   1HG   LYS  50          1HG       LYS  50   1.702  -4.186  -4.899
  351   2HG   LYS  50          2HG       LYS  50   2.898  -3.030  -5.452
  352   1HD   LYS  50          1HD       LYS  50   3.276  -4.676  -7.032
  353   2HD   LYS  50          2HD       LYS  50   4.372  -5.261  -5.797
  354   1HE   LYS  50          1HE       LYS  50   2.904  -6.981  -5.107
  355   2HE   LYS  50          2HE       LYS  50   1.483  -6.159  -5.722
  356   1HZ   LYS  50          1HZ       LYS  50   3.606  -7.284  -7.413
  357   2HZ   LYS  50          2HZ       LYS  50   2.176  -8.011  -7.106
  358   3HZ   LYS  50          3HZ       LYS  50   2.216  -6.607  -7.939
  359    HA   PRO  51           HA       PRO  51   4.117  -3.366   1.208
  360   1HB   PRO  51          1HB       PRO  51   4.264  -5.971   2.022
  361   2HB   PRO  51          2HB       PRO  51   2.827  -4.987   2.213
  362   1HG   PRO  51          1HG       PRO  51   3.348  -7.147   0.263
  363   2HG   PRO  51          2HG       PRO  51   1.814  -6.455   0.751
  364   1HD   PRO  51          1HD       PRO  51   3.229  -5.940  -1.690
  365   2HD   PRO  51          2HD       PRO  51   1.755  -5.163  -1.149
  366    H    LEU  52           H        LEU  52   6.137  -2.750   1.615
  367    HA   LEU  52           HA       LEU  52   8.221  -3.192   0.048
  368   1HB   LEU  52          1HB       LEU  52   8.482  -1.710   1.816
  369   2HB   LEU  52          2HB       LEU  52   8.034  -2.898   3.024
  370    HG   LEU  52           HG       LEU  52  10.588  -3.086   1.413
  371   1HD1  LEU  52          1HD1      LEU  52   9.930  -1.390   3.750
  372   2HD1  LEU  52          2HD1      LEU  52  11.452  -2.308   3.848
  373   3HD1  LEU  52          3HD1      LEU  52  11.172  -1.192   2.489
  374   1HD2  LEU  52          1HD2      LEU  52   9.276  -4.846   3.232
  375   2HD2  LEU  52          2HD2      LEU  52  10.842  -5.048   2.410
  376   3HD2  LEU  52          3HD2      LEU  52  10.768  -4.255   4.003
  377    H    GLN  53           H        GLN  53   9.650  -4.789  -0.536
  378    HA   GLN  53           HA       GLN  53   8.876  -7.417   0.007
  379   1HB   GLN  53          1HB       GLN  53  11.008  -7.993  -1.235
  380   2HB   GLN  53          2HB       GLN  53   9.932  -6.914  -2.099
  381   1HG   GLN  53          1HG       GLN  53  11.752  -5.372  -0.411
  382   2HG   GLN  53          2HG       GLN  53  12.663  -6.459  -1.439
  383   2HE2  GLN  53          2HE2      GLN  53  11.135  -3.512  -1.211
  384   1HE2  GLN  53          1HE2      GLN  53  11.023  -3.079  -2.885
  385    H    GLU  54           H        GLU  54   8.901  -7.114   2.469
  386    HA   GLU  54           HA       GLU  54  10.989  -6.625   4.012
  387   1HB   GLU  54          1HB       GLU  54   9.907  -7.846   5.710
  388   2HB   GLU  54          2HB       GLU  54   8.601  -7.482   4.600
  389   1HG   GLU  54          1HG       GLU  54   9.125  -9.777   3.489
  390   2HG   GLU  54          2HG       GLU  54  10.105 -10.112   4.903
  391    H    ALA  55           H        ALA  55  13.065  -7.342   4.230
  392    HA   ALA  55           HA       ALA  55  13.774 -10.037   4.228
  393   1HB   ALA  55          1HB       ALA  55  13.317 -10.055   1.854
  394   2HB   ALA  55          2HB       ALA  55  15.084 -10.058   2.070
  395   3HB   ALA  55          3HB       ALA  55  14.246  -8.556   1.612
  396    H    GLU  56           H        GLU  56  14.252  -8.118   6.049
  397    HA   GLU  56           HA       GLU  56  17.013  -8.101   6.195
  398   1HB   GLU  56          1HB       GLU  56  16.126  -6.048   4.521
  399   2HB   GLU  56          2HB       GLU  56  16.318  -5.235   6.062
  400   1HG   GLU  56          1HG       GLU  56  18.640  -6.464   6.176
  401   2HG   GLU  56          2HG       GLU  56  18.415  -6.741   4.461
  402    H    CYS  57           H        CYS  57  14.508  -5.601   7.052
  403    HA   CYS  57           HA       CYS  57  15.298  -5.812   9.804
  404   1HB   CYS  57          1HB       CYS  57  13.717  -3.958   8.151
  405   2HB   CYS  57          2HB       CYS  57  13.100  -4.180   9.776
  406    H    THR  58           H        THR  58  14.652  -7.880  10.548
  407    HA   THR  58           HA       THR  58  11.786  -8.492  10.261
  408    HB   THR  58           HB       THR  58  14.305 -10.191  10.547
  409    HG1  THR  58           HG1      THR  58  13.677  -9.759   8.396
  410   1HG2  THR  58          1HG2      THR  58  11.439 -10.838  11.220
  411   2HG2  THR  58          2HG2      THR  58  12.328 -12.025  10.235
  412   3HG2  THR  58          3HG2      THR  58  12.937 -11.571  11.845
  413    H    PHE  59           H        PHE  59  14.509  -8.972  12.618
  414    HA   PHE  59           HA       PHE  59  12.754  -7.947  14.684
  415   1HB   PHE  59          1HB       PHE  59  12.251 -10.326  14.784
  416   2HB   PHE  59          2HB       PHE  59  13.907 -10.768  14.418
  417    HD1  PHE  59           HD1      PHE  59  15.647 -10.610  16.168
  418    HD2  PHE  59           HD2      PHE  59  11.560  -9.863  17.033
  419    HE1  PHE  59           HE1      PHE  59  16.117 -10.874  18.619
  420    HE2  PHE  59           HE2      PHE  59  12.030 -10.127  19.484
  421    HZ   PHE  59           HZ       PHE  59  14.303 -10.630  20.248

  No H/Q in entry =         421
  Start of MODEL   28
    1    H    GLU   1           H        GLU   1  12.213 -17.013  17.845
    2    HA   GLU   1           HA       GLU   1  10.114 -16.464  17.699
    3   1HB   GLU   1          1HB       GLU   1  11.498 -14.045  18.624
    4   2HB   GLU   1          2HB       GLU   1   9.985 -13.655  17.831
    5   1HG   GLU   1          1HG       GLU   1   8.715 -15.056  19.332
    6   2HG   GLU   1          2HG       GLU   1  10.157 -15.844  19.941
    7    H    GLU   2           H        GLU   2   8.491 -16.070  16.149
    8    HA   GLU   2           HA       GLU   2   9.491 -15.471  13.562
    9   1HB   GLU   2          1HB       GLU   2   7.227 -16.033  12.800
   10   2HB   GLU   2          2HB       GLU   2   7.781 -17.229  13.956
   11   1HG   GLU   2          1HG       GLU   2   6.480 -16.175  15.758
   12   2HG   GLU   2          2HG       GLU   2   6.039 -14.838  14.715
   13    H    TYR   3           H        TYR   3   7.846 -13.987  12.131
   14    HA   TYR   3           HA       TYR   3   7.359 -11.533  13.672
   15   1HB   TYR   3          1HB       TYR   3   9.394 -11.109  12.445
   16   2HB   TYR   3          2HB       TYR   3   8.918 -12.162  11.128
   17    HD1  TYR   3           HD1      TYR   3   8.424  -8.811  12.625
   18    HD2  TYR   3           HD2      TYR   3   7.652 -11.333   9.256
   19    HE1  TYR   3           HE1      TYR   3   7.644  -6.796  11.286
   20    HE2  TYR   3           HE2      TYR   3   6.875  -9.308   7.929
   21    HH   TYR   3           HH       TYR   3   7.269  -6.881   7.956
   22    H    VAL   4           H        VAL   4   5.841 -10.009  12.544
   23    HA   VAL   4           HA       VAL   4   4.372 -10.701  10.317
   24    HB   VAL   4           HB       VAL   4   3.536 -12.629  11.350
   25   1HG1  VAL   4          1HG1      VAL   4   3.398 -10.937  13.832
   26   2HG1  VAL   4          2HG1      VAL   4   2.337 -12.356  13.669
   27   3HG1  VAL   4          3HG1      VAL   4   4.104 -12.554  13.595
   28   1HG2  VAL   4          1HG2      VAL   4   1.594 -10.323  11.539
   29   2HG2  VAL   4          2HG2      VAL   4   1.728 -11.577  10.282
   30   3HG2  VAL   4          3HG2      VAL   4   1.097 -11.995  11.894
   31    H    GLY   5           H        GLY   5   3.987  -8.630   9.728
   32   1HA   GLY   5          1HA       GLY   5   4.079  -6.354  11.033
   33   2HA   GLY   5          2HA       GLY   5   2.527  -6.927  11.609
   34    H    LEU   6           H        LEU   6   0.707  -6.634  10.348
   35    HA   LEU   6           HA       LEU   6   1.165  -5.979   7.529
   36   1HB   LEU   6          1HB       LEU   6  -1.504  -6.352   7.733
   37   2HB   LEU   6          2HB       LEU   6  -0.345  -7.583   7.274
   38    HG   LEU   6           HG       LEU   6  -1.959  -8.402   8.923
   39   1HD1  LEU   6          1HD1      LEU   6   0.830  -8.692   9.003
   40   2HD1  LEU   6          2HD1      LEU   6   0.317  -8.520  10.699
   41   3HD1  LEU   6          3HD1      LEU   6  -0.400  -9.789   9.677
   42   1HD2  LEU   6          1HD2      LEU   6  -1.274  -5.911  10.282
   43   2HD2  LEU   6          2HD2      LEU   6  -2.697  -6.965  10.459
   44   3HD2  LEU   6          3HD2      LEU   6  -1.205  -7.327  11.359
   45    H    SER   7           H        SER   7   1.987  -3.887   8.826
   46    HA   SER   7           HA       SER   7   0.221  -1.899   8.148
   47   1HB   SER   7          1HB       SER   7  -0.829  -1.186  10.096
   48   2HB   SER   7          2HB       SER   7  -0.853  -2.921  10.342
   49    HG   SER   7           HG       SER   7   0.204  -2.539  12.157
   50    H    ALA   8           H        ALA   8   1.852  -0.577   7.410
   51    HA   ALA   8           HA       ALA   8   3.478   0.958   7.629
   52   1HB   ALA   8          1HB       ALA   8   4.116   1.692   9.684
   53   2HB   ALA   8          2HB       ALA   8   4.541   0.057  10.247
   54   3HB   ALA   8          3HB       ALA   8   2.844   0.593  10.271
   55    H    ASN   9           H        ASN   9   4.660  -1.907   9.535
   56    HA   ASN   9           HA       ASN   9   7.127  -2.057   8.643
   57   1HB   ASN   9          1HB       ASN   9   5.092  -4.271   9.122
   58   2HB   ASN   9          2HB       ASN   9   6.732  -4.681   8.661
   59   2HD2  ASN   9          2HD2      ASN   9   8.209  -4.848  10.174
   60   1HD2  ASN   9          1HD2      ASN   9   8.106  -4.264  11.801
   61    H    GLN  10           H        GLN  10   4.188  -3.368   6.954
   62    HA   GLN  10           HA       GLN  10   5.698  -4.281   4.744
   63   1HB   GLN  10          1HB       GLN  10   2.744  -3.797   4.505
   64   2HB   GLN  10          2HB       GLN  10   3.693  -5.170   3.970
   65   1HG   GLN  10          1HG       GLN  10   4.054  -5.342   6.698
   66   2HG   GLN  10          2HG       GLN  10   2.447  -4.646   6.632
   67   2HE2  GLN  10          2HE2      GLN  10   1.209  -5.680   4.573
   68   1HE2  GLN  10          1HE2      GLN  10   1.096  -7.408   4.633
   69    H    CYS  11           H        CYS  11   3.845  -1.340   5.590
   70    HA   CYS  11           HA       CYS  11   4.381  -0.291   2.921
   71   1HB   CYS  11          1HB       CYS  11   2.791   1.306   4.836
   72   2HB   CYS  11          2HB       CYS  11   2.570   1.046   3.117
   73    H    ALA  12           H        ALA  12   6.610  -0.690   4.651
   74    HA   ALA  12           HA       ALA  12   7.123   1.962   5.774
   75   1HB   ALA  12          1HB       ALA  12   9.210  -0.037   6.152
   76   2HB   ALA  12          2HB       ALA  12   7.623  -0.658   6.665
   77   3HB   ALA  12          3HB       ALA  12   8.259   0.849   7.367
   78    H    VAL  13           H        VAL  13   6.938   1.675   2.906
   79    HA   VAL  13           HA       VAL  13   9.692   1.555   2.002
   80    HB   VAL  13           HB       VAL  13   7.610   2.371   0.109
   81   1HG1  VAL  13          1HG1      VAL  13  10.032   0.757   0.221
   82   2HG1  VAL  13          2HG1      VAL  13   8.727  -0.074  -0.659
   83   3HG1  VAL  13          3HG1      VAL  13   9.251   1.549  -1.169
   84   1HG2  VAL  13          1HG2      VAL  13   7.254  -0.101   1.790
   85   2HG2  VAL  13          2HG2      VAL  13   6.041   1.076   1.231
   86   3HG2  VAL  13          3HG2      VAL  13   6.740  -0.093   0.086
   87    HA   PRO  14           HA       PRO  14  10.217   5.843   2.033
   88   1HB   PRO  14          1HB       PRO  14  12.100   6.190   0.083
   89   2HB   PRO  14          2HB       PRO  14  12.488   5.646   1.703
   90   1HG   PRO  14          1HG       PRO  14  12.370   4.077  -0.799
   91   2HG   PRO  14          2HG       PRO  14  13.150   3.669   0.717
   92   1HD   PRO  14          1HD       PRO  14  10.664   2.631  -0.268
   93   2HD   PRO  14          2HD       PRO  14  11.386   2.314   1.296
   94    H    ALA  15           H        ALA  15  10.157   4.778  -1.342
   95    HA   ALA  15           HA       ALA  15   7.812   5.721  -2.127
   96   1HB   ALA  15          1HB       ALA  15   9.572   7.995  -1.411
   97   2HB   ALA  15          2HB       ALA  15   7.799   7.918  -1.545
   98   3HB   ALA  15          3HB       ALA  15   8.795   8.125  -3.006
   99    H    LYS  16           H        LYS  16  11.276   5.430  -2.621
  100    HA   LYS  16           HA       LYS  16  10.934   5.407  -5.512
  101   1HB   LYS  16          1HB       LYS  16  13.356   5.386  -5.603
  102   2HB   LYS  16          2HB       LYS  16  12.805   6.681  -4.559
  103   1HG   LYS  16          1HG       LYS  16  14.355   5.809  -3.103
  104   2HG   LYS  16          2HG       LYS  16  13.052   4.711  -2.693
  105   1HD   LYS  16          1HD       LYS  16  14.706   3.151  -3.153
  106   2HD   LYS  16          2HD       LYS  16  14.023   3.304  -4.759
  107   1HE   LYS  16          1HE       LYS  16  15.768   5.174  -5.172
  108   2HE   LYS  16          2HE       LYS  16  16.531   4.660  -3.681
  109   1HZ   LYS  16          1HZ       LYS  16  16.271   2.346  -4.889
  110   2HZ   LYS  16          2HZ       LYS  16  16.387   3.297  -6.211
  111   3HZ   LYS  16          3HZ       LYS  16  17.579   3.300  -5.095
  112    H    ASP  17           H        ASP  17  10.267   3.326  -3.068
  113    HA   ASP  17           HA       ASP  17  11.227   1.059  -4.633
  114   1HB   ASP  17          1HB       ASP  17  11.369   1.658  -1.775
  115   2HB   ASP  17          2HB       ASP  17  10.469   0.177  -2.029
  116    H    ARG  18           H        ARG  18   8.638   2.911  -4.419
  117    HA   ARG  18           HA       ARG  18   6.658   1.142  -3.470
  118   1HB   ARG  18          1HB       ARG  18   6.231   3.532  -5.322
  119   2HB   ARG  18          2HB       ARG  18   5.079   2.849  -4.193
  120   1HG   ARG  18          1HG       ARG  18   7.705   4.208  -3.423
  121   2HG   ARG  18          2HG       ARG  18   6.118   4.944  -3.314
  122   1HD   ARG  18          1HD       ARG  18   5.449   2.983  -1.772
  123   2HD   ARG  18          2HD       ARG  18   7.145   2.541  -1.736
  124    HE   ARG  18           HE       ARG  18   7.480   4.265  -0.210
  125   1HH1  ARG  18          1HH1      ARG  18   4.678   5.065  -2.183
  126   2HH1  ARG  18          2HH1      ARG  18   4.336   6.532  -1.329
  127   1HH2  ARG  18          1HH2      ARG  18   7.029   6.202   0.917
  128   2HH2  ARG  18          2HH2      ARG  18   5.682   7.184   0.446
  129    H    VAL  19           H        VAL  19   6.024  -0.686  -4.573
  130    HA   VAL  19           HA       VAL  19   6.656  -1.012  -7.327
  131    HB   VAL  19           HB       VAL  19   4.899  -2.677  -5.515
  132   1HG1  VAL  19          1HG1      VAL  19   4.742  -3.116  -7.984
  133   2HG1  VAL  19          2HG1      VAL  19   6.476  -3.518  -7.966
  134   3HG1  VAL  19          3HG1      VAL  19   5.326  -4.496  -7.024
  135   1HG2  VAL  19          1HG2      VAL  19   7.308  -2.145  -4.726
  136   2HG2  VAL  19          2HG2      VAL  19   6.780  -3.845  -4.761
  137   3HG2  VAL  19          3HG2      VAL  19   7.819  -3.209  -6.059
  138    H    ASP  20           H        ASP  20   4.138   0.578  -5.619
  139    HA   ASP  20           HA       ASP  20   2.271   1.494  -6.228
  140   1HB   ASP  20          1HB       ASP  20   3.313   2.530  -8.100
  141   2HB   ASP  20          2HB       ASP  20   3.509   1.010  -8.952
  142    H    CYS  21           H        CYS  21   0.382   0.351  -5.778
  143    HA   CYS  21           HA       CYS  21   0.042  -2.277  -6.852
  144   1HB   CYS  21          1HB       CYS  21  -0.783  -0.954  -4.554
  145   2HB   CYS  21          2HB       CYS  21  -2.263  -1.132  -5.476
  146    H    GLY  22           H        GLY  22  -0.472   0.892  -7.956
  147   1HA   GLY  22          1HA       GLY  22  -1.731   0.205 -10.311
  148   2HA   GLY  22          2HA       GLY  22  -1.695   1.808  -9.604
  149    H    TYR  23           H        TYR  23  -3.410   2.444  -8.060
  150    HA   TYR  23           HA       TYR  23  -5.921   1.195  -8.806
  151   1HB   TYR  23          1HB       TYR  23  -4.592   0.390  -6.513
  152   2HB   TYR  23          2HB       TYR  23  -5.409   1.806  -5.882
  153    HD1  TYR  23           HD1      TYR  23  -6.470  -0.899  -8.267
  154    HD2  TYR  23           HD2      TYR  23  -7.233   1.171  -4.602
  155    HE1  TYR  23           HE1      TYR  23  -8.588  -2.265  -7.928
  156    HE2  TYR  23           HE2      TYR  23  -9.348  -0.201  -4.275
  157    HH   TYR  23           HH       TYR  23 -10.861  -1.757  -6.594
  158    HA   PRO  24           HA       PRO  24  -7.113   5.352  -8.576
  159   1HB   PRO  24          1HB       PRO  24  -9.830   5.087  -8.696
  160   2HB   PRO  24          2HB       PRO  24  -8.798   5.023 -10.110
  161   1HG   PRO  24          1HG       PRO  24 -10.158   2.805  -8.706
  162   2HG   PRO  24          2HG       PRO  24  -9.489   2.833 -10.326
  163   1HD   PRO  24          1HD       PRO  24  -8.324   1.607  -8.009
  164   2HD   PRO  24          2HD       PRO  24  -7.603   1.736  -9.601
  165    H    HIS  25           H        HIS  25  -9.796   3.897  -6.844
  166    HA   HIS  25           HA       HIS  25  -9.660   5.883  -4.868
  167   1HB   HIS  25          1HB       HIS  25 -11.652   5.070  -4.255
  168   2HB   HIS  25          2HB       HIS  25 -11.539   4.111  -5.717
  169    HD1  HIS  25           HD1      HIS  25 -12.117   3.765  -2.177
  170    HD2  HIS  25           HD2      HIS  25 -10.244   1.431  -5.117
  171    HE1  HIS  25           HE1      HIS  25 -11.993   1.396  -1.238
  172    HE2  HIS  25           HE2      HIS  25 -10.883  -0.003  -3.110
  173    H    VAL  26           H        VAL  26  -7.698   6.033  -3.791
  174    HA   VAL  26           HA       VAL  26  -6.981   3.648  -2.236
  175    HB   VAL  26           HB       VAL  26  -4.614   4.398  -2.474
  176   1HG1  VAL  26          1HG1      VAL  26  -6.217   3.488  -4.868
  177   2HG1  VAL  26          2HG1      VAL  26  -4.445   3.645  -4.935
  178   3HG1  VAL  26          3HG1      VAL  26  -5.196   2.528  -3.770
  179   1HG2  VAL  26          1HG2      VAL  26  -5.835   6.658  -3.710
  180   2HG2  VAL  26          2HG2      VAL  26  -4.106   6.353  -3.415
  181   3HG2  VAL  26          3HG2      VAL  26  -4.854   5.829  -4.943
  182    H    THR  27           H        THR  27  -7.021   3.996  -0.074
  183    HA   THR  27           HA       THR  27  -6.486   6.704   0.889
  184    HB   THR  27           HB       THR  27  -8.587   6.953   1.879
  185    HG1  THR  27           HG1      THR  27  -9.596   5.099   2.784
  186   1HG2  THR  27          1HG2      THR  27  -9.241   4.848  -0.250
  187   2HG2  THR  27          2HG2      THR  27 -10.407   5.965   0.499
  188   3HG2  THR  27          3HG2      THR  27  -9.117   6.598  -0.553
  189    HA   PRO  28           HA       PRO  28  -4.523   4.701   4.143
  190   1HB   PRO  28          1HB       PRO  28  -5.186   6.099   6.395
  191   2HB   PRO  28          2HB       PRO  28  -4.002   6.661   5.232
  192   1HG   PRO  28          1HG       PRO  28  -6.771   7.604   5.659
  193   2HG   PRO  28          2HG       PRO  28  -5.455   8.405   4.825
  194   1HD   PRO  28          1HD       PRO  28  -7.682   7.059   3.621
  195   2HD   PRO  28          2HD       PRO  28  -6.307   7.760   2.790
  196    H    LYS  29           H        LYS  29  -6.866   3.372   3.344
  197    HA   LYS  29           HA       LYS  29  -7.079   1.573   5.452
  198   1HB   LYS  29          1HB       LYS  29  -8.360   3.676   6.343
  199   2HB   LYS  29          2HB       LYS  29  -9.632   3.154   5.257
  200   1HG   LYS  29          1HG       LYS  29  -8.489   0.939   6.865
  201   2HG   LYS  29          2HG       LYS  29  -9.218   2.197   7.843
  202   1HD   LYS  29          1HD       LYS  29 -11.173   1.976   5.980
  203   2HD   LYS  29          2HD       LYS  29 -10.506   0.362   5.836
  204   1HE   LYS  29          1HE       LYS  29 -11.844  -0.162   7.611
  205   2HE   LYS  29          2HE       LYS  29 -10.636   0.646   8.591
  206   1HZ   LYS  29          1HZ       LYS  29 -11.909   2.722   8.152
  207   2HZ   LYS  29          2HZ       LYS  29 -13.097   1.809   7.502
  208   3HZ   LYS  29          3HZ       LYS  29 -12.690   1.622   9.073
  209    H    GLU  30           H        GLU  30  -8.861   3.171   2.739
  210    HA   GLU  30           HA       GLU  30 -10.102   0.773   1.964
  211   1HB   GLU  30          1HB       GLU  30 -10.037   3.568   1.107
  212   2HB   GLU  30          2HB       GLU  30 -10.011   2.498  -0.281
  213   1HG   GLU  30          1HG       GLU  30 -12.331   2.853   0.201
  214   2HG   GLU  30          2HG       GLU  30 -11.979   1.237   0.783
  215    H    CYS  31           H        CYS  31  -7.096   2.501   1.024
  216    HA   CYS  31           HA       CYS  31  -6.554   0.819  -1.179
  217   1HB   CYS  31          1HB       CYS  31  -5.494   2.842  -1.356
  218   2HB   CYS  31          2HB       CYS  31  -5.078   2.914   0.345
  219    H    ASN  32           H        ASN  32  -6.101   0.694   2.328
  220    HA   ASN  32           HA       ASN  32  -4.229  -1.485   2.065
  221   1HB   ASN  32          1HB       ASN  32  -3.544  -0.881   4.172
  222   2HB   ASN  32          2HB       ASN  32  -4.515   0.559   3.941
  223   2HD2  ASN  32          2HD2      ASN  32  -3.959  -2.095   5.852
  224   1HD2  ASN  32          1HD2      ASN  32  -5.424  -2.145   6.774
  225    H    ASN  33           H        ASN  33  -7.484  -1.131   1.742
  226    HA   ASN  33           HA       ASN  33  -8.186  -3.372   3.439
  227   1HB   ASN  33          1HB       ASN  33  -9.693  -1.423   3.558
  228   2HB   ASN  33          2HB       ASN  33  -9.871  -1.398   1.814
  229   2HD2  ASN  33          2HD2      ASN  33 -10.971  -2.656   4.770
  230   1HD2  ASN  33          1HD2      ASN  33 -12.163  -3.769   4.187
  231    H    ARG  34           H        ARG  34  -8.113  -2.167   0.038
  232    HA   ARG  34           HA       ARG  34  -9.423  -4.272  -1.135
  233   1HB   ARG  34          1HB       ARG  34  -8.561  -1.984  -2.115
  234   2HB   ARG  34          2HB       ARG  34  -7.076  -2.850  -2.454
  235   1HG   ARG  34          1HG       ARG  34  -9.827  -3.782  -3.398
  236   2HG   ARG  34          2HG       ARG  34  -8.743  -2.813  -4.376
  237   1HD   ARG  34          1HD       ARG  34  -7.064  -4.871  -3.546
  238   2HD   ARG  34          2HD       ARG  34  -8.598  -5.704  -3.701
  239    HE   ARG  34           HE       ARG  34  -8.132  -3.998  -5.995
  240   1HH1  ARG  34          1HH1      ARG  34  -7.193  -7.078  -4.575
  241   2HH1  ARG  34          2HH1      ARG  34  -6.784  -7.800  -6.095
  242   1HH2  ARG  34          1HH2      ARG  34  -7.593  -4.950  -8.001
  243   2HH2  ARG  34          2HH2      ARG  34  -7.013  -6.581  -8.057
  244    H    GLY  35           H        GLY  35  -6.142  -3.970   0.154
  245   1HA   GLY  35          1HA       GLY  35  -5.526  -6.685  -0.853
  246   2HA   GLY  35          2HA       GLY  35  -5.126  -6.114   0.755
  247    H    CYS  36           H        CYS  36  -3.721  -4.032   0.843
  248    HA   CYS  36           HA       CYS  36  -1.351  -4.536  -0.481
  249   1HB   CYS  36          1HB       CYS  36  -3.121  -3.309  -2.231
  250   2HB   CYS  36          2HB       CYS  36  -2.152  -1.976  -1.636
  251    H    CYS  37           H        CYS  37  -0.565  -1.640  -0.640
  252    HA   CYS  37           HA       CYS  37  -0.950  -0.928   2.176
  253   1HB   CYS  37          1HB       CYS  37   1.567  -1.154   0.583
  254   2HB   CYS  37          2HB       CYS  37   1.452   0.126   1.774
  255    H    PHE  38           H        PHE  38  -0.968   1.413   2.574
  256    HA   PHE  38           HA       PHE  38  -1.454   2.941   0.113
  257   1HB   PHE  38          1HB       PHE  38  -3.500   2.590   1.465
  258   2HB   PHE  38          2HB       PHE  38  -2.649   2.997   2.942
  259    HD1  PHE  38           HD1      PHE  38  -3.994   4.390  -0.202
  260    HD2  PHE  38           HD2      PHE  38  -2.427   5.255   3.646
  261    HE1  PHE  38           HE1      PHE  38  -4.721   6.781  -0.443
  262    HE2  PHE  38           HE2      PHE  38  -3.154   7.645   3.405
  263    HZ   PHE  38           HZ       PHE  38  -4.292   8.380   1.363
  264    H    ASP  39           H        ASP  39  -1.288   5.453   0.663
  265    HA   ASP  39           HA       ASP  39   0.385   6.249   2.707
  266   1HB   ASP  39          1HB       ASP  39   2.186   5.055   1.589
  267   2HB   ASP  39          2HB       ASP  39   1.736   5.711   0.028
  268    H    SER  40           H        SER  40   0.650   8.610   2.609
  269    HA   SER  40           HA       SER  40  -0.354   9.851   0.191
  270   1HB   SER  40          1HB       SER  40  -1.865  11.320   1.460
  271   2HB   SER  40          2HB       SER  40  -2.301   9.641   1.707
  272    HG   SER  40           HG       SER  40  -1.011  11.457   3.521
  273    H    ARG  41           H        ARG  41   2.233   9.449   1.953
  274    HA   ARG  41           HA       ARG  41   2.875  11.868   3.079
  275   1HB   ARG  41          1HB       ARG  41   4.097   9.451   2.943
  276   2HB   ARG  41          2HB       ARG  41   5.035  10.268   1.709
  277   1HG   ARG  41          1HG       ARG  41   4.641  11.859   4.197
  278   2HG   ARG  41          2HG       ARG  41   5.560  10.385   4.424
  279   1HD   ARG  41          1HD       ARG  41   6.963  11.129   2.362
  280   2HD   ARG  41          2HD       ARG  41   6.190  12.691   2.534
  281    HE   ARG  41           HE       ARG  41   8.292  11.630   4.214
  282   1HH1  ARG  41          1HH1      ARG  41   5.419  13.660   4.306
  283   2HH1  ARG  41          2HH1      ARG  41   5.954  14.575   5.676
  284   1HH2  ARG  41          1HH2      ARG  41   8.998  12.837   6.021
  285   2HH2  ARG  41          2HH2      ARG  41   8.003  14.104   6.658
  286    H    ILE  42           H        ILE  42   3.210  10.625  -0.285
  287    HA   ILE  42           HA       ILE  42   3.440  13.338  -1.229
  288    HB   ILE  42           HB       ILE  42   5.470  12.251  -2.675
  289   1HG1  ILE  42          1HG1      ILE  42   7.064  11.271  -1.045
  290   2HG1  ILE  42          2HG1      ILE  42   5.795  11.231   0.163
  291   1HG2  ILE  42          1HG2      ILE  42   5.116  14.485  -1.319
  292   2HG2  ILE  42          2HG2      ILE  42   6.154  13.664  -0.128
  293   3HG2  ILE  42          3HG2      ILE  42   6.743  13.934  -1.786
  294   1HD1  ILE  42          1HD1      ILE  42   5.213   9.971  -2.510
  295   2HD1  ILE  42          2HD1      ILE  42   6.299   9.111  -1.391
  296   3HD1  ILE  42          3HD1      ILE  42   4.637   9.508  -0.891
  297    HA   PRO  43           HA       PRO  43   1.037  11.365  -4.247
  298   1HB   PRO  43          1HB       PRO  43   0.671  13.480  -5.938
  299   2HB   PRO  43          2HB       PRO  43  -0.293  13.228  -4.497
  300   1HG   PRO  43          1HG       PRO  43   1.878  15.182  -4.957
  301   2HG   PRO  43          2HG       PRO  43   0.639  15.188  -3.717
  302   1HD   PRO  43          1HD       PRO  43   3.392  14.452  -3.389
  303   2HD   PRO  43          2HD       PRO  43   2.128  14.349  -2.179
  304    H    GLY  44           H        GLY  44   3.915  13.115  -5.126
  305   1HA   GLY  44          1HA       GLY  44   5.569  12.495  -6.537
  306   2HA   GLY  44          2HA       GLY  44   4.280  12.473  -7.723
  307    H    VAL  45           H        VAL  45   4.528  10.265  -4.894
  308    HA   VAL  45           HA       VAL  45   5.326   8.109  -6.695
  309    HB   VAL  45           HB       VAL  45   6.174   7.031  -4.865
  310   1HG1  VAL  45          1HG1      VAL  45   6.391   9.997  -4.530
  311   2HG1  VAL  45          2HG1      VAL  45   7.035   8.953  -3.241
  312   3HG1  VAL  45          3HG1      VAL  45   7.645   8.791  -4.905
  313   1HG2  VAL  45          1HG2      VAL  45   4.082   8.492  -3.249
  314   2HG2  VAL  45          2HG2      VAL  45   4.314   6.740  -3.463
  315   3HG2  VAL  45          3HG2      VAL  45   5.458   7.675  -2.470
  316    HA   PRO  46           HA       PRO  46   1.458   6.188  -6.486
  317   1HB   PRO  46          1HB       PRO  46   1.982   3.530  -6.128
  318   2HB   PRO  46          2HB       PRO  46   2.151   4.341  -7.672
  319   1HG   PRO  46          1HG       PRO  46   4.263   3.461  -5.800
  320   2HG   PRO  46          2HG       PRO  46   4.403   3.874  -7.498
  321   1HD   PRO  46          1HD       PRO  46   5.180   5.500  -5.266
  322   2HD   PRO  46          2HD       PRO  46   5.211   5.957  -6.958
  323    H    TRP  47           H        TRP  47   0.574   7.303  -4.710
  324    HA   TRP  47           HA       TRP  47   0.898   6.966  -2.141
  325   1HB   TRP  47          1HB       TRP  47  -1.572   7.238  -3.777
  326   2HB   TRP  47          2HB       TRP  47  -1.771   6.867  -2.076
  327    HD1  TRP  47           HD1      TRP  47   1.102   9.186  -3.188
  328    HE1  TRP  47           HE1      TRP  47   0.740  11.647  -2.307
  329    HE3  TRP  47           HE3      TRP  47  -3.595   8.415  -1.400
  330    HZ2  TRP  47           HZ2      TRP  47  -1.422  12.965  -0.990
  331    HZ3  TRP  47           HZ3      TRP  47  -4.762  10.341  -0.331
  332    HH2  TRP  47           HH2      TRP  47  -3.750  12.555  -0.112
  333    H    CYS  48           H        CYS  48  -1.160   4.685  -4.101
  334    HA   CYS  48           HA       CYS  48  -1.006   2.781  -1.928
  335   1HB   CYS  48          1HB       CYS  48  -3.117   3.366  -3.285
  336   2HB   CYS  48          2HB       CYS  48  -2.425   2.373  -4.553
  337    H    PHE  49           H        PHE  49   0.750   1.422  -1.875
  338    HA   PHE  49           HA       PHE  49   1.702   0.392  -4.442
  339   1HB   PHE  49          1HB       PHE  49   4.044   0.617  -3.305
  340   2HB   PHE  49          2HB       PHE  49   3.307   2.113  -3.841
  341    HD1  PHE  49           HD1      PHE  49   3.491  -0.051  -0.805
  342    HD2  PHE  49           HD2      PHE  49   3.209   3.886  -2.362
  343    HE1  PHE  49           HE1      PHE  49   3.697   0.882   1.516
  344    HE2  PHE  49           HE2      PHE  49   3.415   4.819  -0.041
  345    HZ   PHE  49           HZ       PHE  49   3.656   3.306   1.870
  346    H    LYS  50           H        LYS  50   3.168  -1.585  -4.096
  347    HA   LYS  50           HA       LYS  50   1.783  -3.400  -2.434
  348   1HB   LYS  50          1HB       LYS  50   4.435  -3.776  -3.854
  349   2HB   LYS  50          2HB       LYS  50   3.363  -5.036  -3.277
  350   1HG   LYS  50          1HG       LYS  50   1.554  -3.859  -4.804
  351   2HG   LYS  50          2HG       LYS  50   2.935  -3.107  -5.579
  352   1HD   LYS  50          1HD       LYS  50   2.680  -5.046  -6.875
  353   2HD   LYS  50          2HD       LYS  50   3.894  -5.562  -5.721
  354   1HE   LYS  50          1HE       LYS  50   2.357  -6.864  -4.475
  355   2HE   LYS  50          2HE       LYS  50   0.967  -5.966  -5.053
  356   1HZ   LYS  50          1HZ       LYS  50   2.617  -7.553  -6.877
  357   2HZ   LYS  50          2HZ       LYS  50   1.378  -8.218  -6.047
  358   3HZ   LYS  50          3HZ       LYS  50   1.094  -7.009  -7.107
  359    HA   PRO  51           HA       PRO  51   4.100  -3.195   1.200
  360   1HB   PRO  51          1HB       PRO  51   4.141  -5.779   2.090
  361   2HB   PRO  51          2HB       PRO  51   2.753  -4.725   2.272
  362   1HG   PRO  51          1HG       PRO  51   3.145  -6.963   0.380
  363   2HG   PRO  51          2HG       PRO  51   1.651  -6.187   0.869
  364   1HD   PRO  51          1HD       PRO  51   3.051  -5.810  -1.606
  365   2HD   PRO  51          2HD       PRO  51   1.622  -4.950  -1.068
  366    H    LEU  52           H        LEU  52   6.152  -2.704   1.629
  367    HA   LEU  52           HA       LEU  52   8.199  -3.236   0.040
  368   1HB   LEU  52          1HB       LEU  52   8.433  -1.782   1.891
  369   2HB   LEU  52          2HB       LEU  52   8.134  -3.066   3.045
  370    HG   LEU  52           HG       LEU  52  10.567  -2.930   1.243
  371   1HD1  LEU  52          1HD1      LEU  52  10.293  -1.061   2.982
  372   2HD1  LEU  52          2HD1      LEU  52  10.558  -2.334   4.198
  373   3HD1  LEU  52          3HD1      LEU  52  11.812  -1.988   2.983
  374   1HD2  LEU  52          1HD2      LEU  52   9.497  -4.967   3.036
  375   2HD2  LEU  52          2HD2      LEU  52  10.785  -5.073   1.811
  376   3HD2  LEU  52          3HD2      LEU  52  11.161  -4.493   3.451
  377    H    GLN  53           H        GLN  53   9.644  -4.872  -0.475
  378    HA   GLN  53           HA       GLN  53   8.722  -7.462  -0.143
  379   1HB   GLN  53          1HB       GLN  53  11.090  -6.123  -1.330
  380   2HB   GLN  53          2HB       GLN  53  11.391  -7.769  -0.811
  381   1HG   GLN  53          1HG       GLN  53  10.470  -8.402  -2.795
  382   2HG   GLN  53          2HG       GLN  53   8.924  -8.018  -2.066
  383   2HE2  GLN  53          2HE2      GLN  53   8.595  -5.476  -1.991
  384   1HE2  GLN  53          1HE2      GLN  53   8.763  -4.682  -3.521
  385    H    GLU  54           H        GLU  54   8.386  -7.613   2.214
  386    HA   GLU  54           HA       GLU  54  10.250  -7.218   4.114
  387   1HB   GLU  54          1HB       GLU  54   8.896  -8.530   5.533
  388   2HB   GLU  54          2HB       GLU  54   7.778  -7.990   4.297
  389   1HG   GLU  54          1HG       GLU  54   8.432 -10.225   3.057
  390   2HG   GLU  54          2HG       GLU  54   9.046 -10.729   4.619
  391    H    ALA  55           H        ALA  55  12.325  -7.931   4.308
  392    HA   ALA  55           HA       ALA  55  12.843 -10.754   3.986
  393   1HB   ALA  55          1HB       ALA  55  13.270 -10.243   1.741
  394   2HB   ALA  55          2HB       ALA  55  14.878 -10.063   2.484
  395   3HB   ALA  55          3HB       ALA  55  13.897  -8.622   2.124
  396    H    GLU  56           H        GLU  56  13.673 -11.111   5.995
  397    HA   GLU  56           HA       GLU  56  15.043 -11.021   7.679
  398   1HB   GLU  56          1HB       GLU  56  16.685 -10.345   5.578
  399   2HB   GLU  56          2HB       GLU  56  16.907  -8.953   6.619
  400   1HG   GLU  56          1HG       GLU  56  16.961 -11.290   8.299
  401   2HG   GLU  56          2HG       GLU  56  17.994 -11.617   6.922
  402    H    CYS  57           H        CYS  57  15.494  -7.624   6.467
  403    HA   CYS  57           HA       CYS  57  13.631  -6.511   8.222
  404   1HB   CYS  57          1HB       CYS  57  16.239  -7.065   9.390
  405   2HB   CYS  57          2HB       CYS  57  15.864  -5.354   9.422
  406    H    THR  58           H        THR  58  17.056  -5.660   7.310
  407    HA   THR  58           HA       THR  58  15.942  -3.642   5.478
  408    HB   THR  58           HB       THR  58  17.864  -2.177   6.272
  409    HG1  THR  58           HG1      THR  58  19.076  -4.081   7.102
  410   1HG2  THR  58          1HG2      THR  58  15.573  -3.043   7.976
  411   2HG2  THR  58          2HG2      THR  58  16.923  -2.308   8.872
  412   3HG2  THR  58          3HG2      THR  58  16.119  -1.399   7.570
  413    H    PHE  59           H        PHE  59  16.412  -4.195   3.451
  414    HA   PHE  59           HA       PHE  59  17.435  -5.209   1.758
  415   1HB   PHE  59          1HB       PHE  59  18.714  -3.094   1.977
  416   2HB   PHE  59          2HB       PHE  59  19.690  -3.767   3.268
  417    HD1  PHE  59           HD1      PHE  59  18.872  -4.399  -0.320
  418    HD2  PHE  59           HD2      PHE  59  21.791  -4.579   2.755
  419    HE1  PHE  59           HE1      PHE  59  20.594  -5.121  -1.997
  420    HE2  PHE  59           HE2      PHE  59  23.513  -5.301   1.077
  421    HZ   PHE  59           HZ       PHE  59  22.894  -5.563  -1.279

  No H/Q in entry =         421
  Start of MODEL   29
    1    H    GLU   1           H        GLU   1   4.088 -10.674  20.590
    2    HA   GLU   1           HA       GLU   1   6.235 -11.798  21.193
    3   1HB   GLU   1          1HB       GLU   1   4.686 -12.469  23.445
    4   2HB   GLU   1          2HB       GLU   1   4.797 -13.971  22.549
    5   1HG   GLU   1          1HG       GLU   1   7.403 -12.986  22.381
    6   2HG   GLU   1          2HG       GLU   1   6.914 -12.475  23.984
    7    H    GLU   2           H        GLU   2   4.746 -11.503  18.936
    8    HA   GLU   2           HA       GLU   2   4.705 -14.205  17.966
    9   1HB   GLU   2          1HB       GLU   2   2.282 -13.052  18.731
   10   2HB   GLU   2          2HB       GLU   2   2.333 -12.726  17.010
   11   1HG   GLU   2          1HG       GLU   2   2.191 -14.961  16.434
   12   2HG   GLU   2          2HG       GLU   2   3.153 -15.489  17.800
   13    H    TYR   3           H        TYR   3   3.318 -11.090  16.720
   14    HA   TYR   3           HA       TYR   3   5.505 -11.037  14.759
   15   1HB   TYR   3          1HB       TYR   3   3.822 -10.652  13.042
   16   2HB   TYR   3          2HB       TYR   3   3.164 -11.958  14.008
   17    HD1  TYR   3           HD1      TYR   3   1.291 -11.545  15.578
   18    HD2  TYR   3           HD2      TYR   3   2.787  -8.461  13.018
   19    HE1  TYR   3           HE1      TYR   3  -0.813 -10.177  15.984
   20    HE2  TYR   3           HE2      TYR   3   0.678  -7.103  13.433
   21    HH   TYR   3           HH       TYR   3  -1.978  -8.119  14.285
   22    H    VAL   4           H        VAL   4   5.404  -8.788  13.536
   23    HA   VAL   4           HA       VAL   4   4.249  -6.581  14.723
   24    HB   VAL   4           HB       VAL   4   5.443  -6.941  16.714
   25   1HG1  VAL   4          1HG1      VAL   4   7.479  -8.040  14.944
   26   2HG1  VAL   4          2HG1      VAL   4   8.180  -6.934  16.150
   27   3HG1  VAL   4          3HG1      VAL   4   7.201  -8.323  16.680
   28   1HG2  VAL   4          1HG2      VAL   4   5.498  -4.615  15.880
   29   2HG2  VAL   4          2HG2      VAL   4   6.922  -5.007  16.874
   30   3HG2  VAL   4          3HG2      VAL   4   7.065  -4.942  15.101
   31    H    GLY   5           H        GLY   5   4.050  -5.606  12.760
   32   1HA   GLY   5          1HA       GLY   5   6.280  -5.690  10.886
   33   2HA   GLY   5          2HA       GLY   5   5.865  -4.114  11.530
   34    H    LEU   6           H        LEU   6   3.260  -6.464  11.294
   35    HA   LEU   6           HA       LEU   6   2.420  -6.359   8.752
   36   1HB   LEU   6          1HB       LEU   6   1.380  -7.155  11.150
   37   2HB   LEU   6          2HB       LEU   6   0.276  -5.869  10.706
   38    HG   LEU   6           HG       LEU   6   0.945  -8.271   8.982
   39   1HD1  LEU   6          1HD1      LEU   6  -1.456  -7.672  10.725
   40   2HD1  LEU   6          2HD1      LEU   6  -1.408  -8.952   9.489
   41   3HD1  LEU   6          3HD1      LEU   6  -0.301  -9.018  10.882
   42   1HD2  LEU   6          1HD2      LEU   6  -0.705  -5.821   8.524
   43   2HD2  LEU   6          2HD2      LEU   6   0.339  -6.728   7.405
   44   3HD2  LEU   6          3HD2      LEU   6  -1.261  -7.370   7.847
   45    H    SER   7           H        SER   7   2.409  -3.697  11.119
   46    HA   SER   7           HA       SER   7   1.215  -2.034   9.043
   47   1HB   SER   7          1HB       SER   7   0.725  -0.441  10.973
   48   2HB   SER   7          2HB       SER   7  -0.168  -1.949  10.997
   49    HG   SER   7           HG       SER   7   2.102  -1.191  12.607
   50    H    ALA   8           H        ALA   8   2.461  -0.387   8.171
   51    HA   ALA   8           HA       ALA   8   4.080   1.153   8.016
   52   1HB   ALA   8          1HB       ALA   8   5.011   1.989   9.904
   53   2HB   ALA   8          2HB       ALA   8   5.657   0.406  10.397
   54   3HB   ALA   8          3HB       ALA   8   3.965   0.828  10.756
   55    H    ASN   9           H        ASN   9   5.836  -1.441   9.840
   56    HA   ASN   9           HA       ASN   9   8.012  -1.586   8.369
   57   1HB   ASN   9          1HB       ASN   9   7.131  -3.097  10.362
   58   2HB   ASN   9          2HB       ASN   9   6.603  -4.187   9.096
   59   2HD2  ASN   9          2HD2      ASN   9   7.956  -5.816   9.060
   60   1HD2  ASN   9          1HD2      ASN   9   9.686  -5.737   8.997
   61    H    GLN  10           H        GLN  10   4.745  -2.668   7.464
   62    HA   GLN  10           HA       GLN  10   5.698  -4.130   5.195
   63   1HB   GLN  10          1HB       GLN  10   3.523  -4.478   6.729
   64   2HB   GLN  10          2HB       GLN  10   2.799  -3.397   5.556
   65   1HG   GLN  10          1HG       GLN  10   2.471  -5.255   4.278
   66   2HG   GLN  10          2HG       GLN  10   4.182  -5.159   3.912
   67   2HE2  GLN  10          2HE2      GLN  10   2.007  -6.281   6.501
   68   1HE2  GLN  10          1HE2      GLN  10   2.823  -7.770   6.845
   69    H    CYS  11           H        CYS  11   3.956  -1.042   5.899
   70    HA   CYS  11           HA       CYS  11   4.328  -0.328   3.087
   71   1HB   CYS  11          1HB       CYS  11   2.598   1.277   4.913
   72   2HB   CYS  11          2HB       CYS  11   2.473   1.021   3.184
   73    H    ALA  12           H        ALA  12   6.634  -0.320   4.649
   74    HA   ALA  12           HA       ALA  12   6.961   2.520   5.341
   75   1HB   ALA  12          1HB       ALA  12   9.047   1.378   6.568
   76   2HB   ALA  12          2HB       ALA  12   7.440   1.455   7.330
   77   3HB   ALA  12          3HB       ALA  12   7.974  -0.041   6.527
   78    H    VAL  13           H        VAL  13   7.000   2.110   2.683
   79    HA   VAL  13           HA       VAL  13   9.721   1.468   1.896
   80    HB   VAL  13           HB       VAL  13   7.778   2.447  -0.093
   81   1HG1  VAL  13          1HG1      VAL  13   9.997   0.534   0.135
   82   2HG1  VAL  13          2HG1      VAL  13   8.630  -0.069  -0.833
   83   3HG1  VAL  13          3HG1      VAL  13   9.421   1.465  -1.269
   84   1HG2  VAL  13          1HG2      VAL  13   7.205   0.044   1.642
   85   2HG2  VAL  13          2HG2      VAL  13   6.109   1.349   1.129
   86   3HG2  VAL  13          3HG2      VAL  13   6.643   0.122  -0.045
   87    HA   PRO  14           HA       PRO  14  10.911   5.616   1.676
   88   1HB   PRO  14          1HB       PRO  14  12.957   5.493  -0.131
   89   2HB   PRO  14          2HB       PRO  14  13.139   5.047   1.554
   90   1HG   PRO  14          1HG       PRO  14  12.950   3.292  -0.817
   91   2HG   PRO  14          2HG       PRO  14  13.546   2.911   0.786
   92   1HD   PRO  14          1HD       PRO  14  11.002   2.177  -0.318
   93   2HD   PRO  14          2HD       PRO  14  11.553   1.898   1.322
   94    H    ALA  15           H        ALA  15   9.112   4.216  -0.586
   95    HA   ALA  15           HA       ALA  15   7.708   5.217  -2.026
   96   1HB   ALA  15          1HB       ALA  15   8.718   7.436  -0.726
   97   2HB   ALA  15          2HB       ALA  15   7.469   7.469  -1.994
   98   3HB   ALA  15          3HB       ALA  15   9.175   7.748  -2.418
   99    H    LYS  16           H        LYS  16  11.213   5.180  -2.273
  100    HA   LYS  16           HA       LYS  16  11.112   5.331  -5.170
  101   1HB   LYS  16          1HB       LYS  16  13.531   5.354  -5.049
  102   2HB   LYS  16          2HB       LYS  16  12.866   6.546  -3.951
  103   1HG   LYS  16          1HG       LYS  16  14.568   5.435  -2.694
  104   2HG   LYS  16          2HG       LYS  16  13.061   4.774  -2.092
  105   1HD   LYS  16          1HD       LYS  16  13.431   2.683  -3.025
  106   2HD   LYS  16          2HD       LYS  16  14.269   3.331  -4.421
  107   1HE   LYS  16          1HE       LYS  16  16.228   2.746  -3.436
  108   2HE   LYS  16          2HE       LYS  16  15.943   3.995  -2.240
  109   1HZ   LYS  16          1HZ       LYS  16  14.430   2.110  -1.260
  110   2HZ   LYS  16          2HZ       LYS  16  15.495   1.151  -2.042
  111   3HZ   LYS  16          3HZ       LYS  16  16.022   2.203  -0.910
  112    H    ASP  17           H        ASP  17  10.115   3.069  -3.118
  113    HA   ASP  17           HA       ASP  17  11.221   0.954  -4.783
  114   1HB   ASP  17          1HB       ASP  17  11.547   1.297  -1.947
  115   2HB   ASP  17          2HB       ASP  17  10.455  -0.056  -2.172
  116    H    ARG  18           H        ARG  18   8.648   2.696  -4.600
  117    HA   ARG  18           HA       ARG  18   6.657   0.935  -3.657
  118   1HB   ARG  18          1HB       ARG  18   6.219   3.273  -5.566
  119   2HB   ARG  18          2HB       ARG  18   5.091   2.631  -4.388
  120   1HG   ARG  18          1HG       ARG  18   7.761   3.727  -3.459
  121   2HG   ARG  18          2HG       ARG  18   6.458   4.835  -3.842
  122   1HD   ARG  18          1HD       ARG  18   5.172   2.912  -2.267
  123   2HD   ARG  18          2HD       ARG  18   6.755   3.015  -1.523
  124    HE   ARG  18           HE       ARG  18   5.475   5.610  -2.116
  125   1HH1  ARG  18          1HH1      ARG  18   6.072   3.097   0.273
  126   2HH1  ARG  18          2HH1      ARG  18   5.730   4.124   1.626
  127   1HH2  ARG  18          1HH2      ARG  18   5.023   6.965  -0.332
  128   2HH2  ARG  18          2HH2      ARG  18   5.129   6.339   1.279
  129    H    VAL  19           H        VAL  19   5.628  -0.710  -4.777
  130    HA   VAL  19           HA       VAL  19   6.429  -1.123  -7.529
  131    HB   VAL  19           HB       VAL  19   4.859  -2.775  -5.542
  132   1HG1  VAL  19          1HG1      VAL  19   5.696  -3.397  -8.390
  133   2HG1  VAL  19          2HG1      VAL  19   5.201  -4.635  -7.211
  134   3HG1  VAL  19          3HG1      VAL  19   4.049  -3.375  -7.714
  135   1HG2  VAL  19          1HG2      VAL  19   7.293  -2.457  -5.076
  136   2HG2  VAL  19          2HG2      VAL  19   6.838  -4.149  -5.390
  137   3HG2  VAL  19          3HG2      VAL  19   7.651  -3.197  -6.655
  138    H    ASP  20           H        ASP  20   4.129   0.726  -5.990
  139    HA   ASP  20           HA       ASP  20   2.095   1.403  -6.442
  140   1HB   ASP  20          1HB       ASP  20   3.178   2.705  -8.116
  141   2HB   ASP  20          2HB       ASP  20   3.481   1.313  -9.136
  142    H    CYS  21           H        CYS  21   0.766  -0.444  -5.860
  143    HA   CYS  21           HA       CYS  21   0.436  -2.649  -7.555
  144   1HB   CYS  21          1HB       CYS  21  -1.827  -2.626  -6.016
  145   2HB   CYS  21          2HB       CYS  21  -0.298  -3.367  -5.590
  146    H    GLY  22           H        GLY  22  -0.664   0.625  -7.669
  147   1HA   GLY  22          1HA       GLY  22  -2.142   0.202 -10.057
  148   2HA   GLY  22          2HA       GLY  22  -1.971   1.698  -9.160
  149    H    TYR  23           H        TYR  23  -3.637   2.419  -7.828
  150    HA   TYR  23           HA       TYR  23  -6.043   0.760  -7.873
  151   1HB   TYR  23          1HB       TYR  23  -4.420   1.887  -5.549
  152   2HB   TYR  23          2HB       TYR  23  -6.162   1.831  -5.369
  153    HD1  TYR  23           HD1      TYR  23  -7.322  -0.465  -5.717
  154    HD2  TYR  23           HD2      TYR  23  -3.114  -0.013  -5.087
  155    HE1  TYR  23           HE1      TYR  23  -7.162  -2.897  -4.996
  156    HE2  TYR  23           HE2      TYR  23  -2.968  -2.447  -4.368
  157    HH   TYR  23           HH       TYR  23  -4.021  -4.351  -4.245
  158    HA   PRO  24           HA       PRO  24  -7.833   4.606  -8.742
  159   1HB   PRO  24          1HB       PRO  24 -10.471   4.021  -8.334
  160   2HB   PRO  24          2HB       PRO  24  -9.615   3.610  -9.807
  161   1HG   PRO  24          1HG       PRO  24 -10.439   1.840  -7.588
  162   2HG   PRO  24          2HG       PRO  24  -9.979   1.409  -9.223
  163   1HD   PRO  24          1HD       PRO  24  -8.373   1.145  -6.861
  164   2HD   PRO  24          2HD       PRO  24  -7.873   0.823  -8.510
  165    H    HIS  25           H        HIS  25 -10.145   3.615  -6.319
  166    HA   HIS  25           HA       HIS  25  -9.698   6.118  -4.995
  167   1HB   HIS  25          1HB       HIS  25 -11.634   5.595  -3.722
  168   2HB   HIS  25          2HB       HIS  25 -11.956   5.128  -5.381
  169    HD1  HIS  25           HD1      HIS  25 -13.605   3.877  -3.108
  170    HD2  HIS  25           HD2      HIS  25 -10.103   2.164  -4.656
  171    HE1  HIS  25           HE1      HIS  25 -13.727   1.386  -2.566
  172    HE2  HIS  25           HE2      HIS  25 -11.574   0.379  -3.589
  173    H    VAL  26           H        VAL  26  -7.465   5.838  -4.321
  174    HA   VAL  26           HA       VAL  26  -6.986   3.711  -2.402
  175    HB   VAL  26           HB       VAL  26  -4.664   4.607  -2.478
  176   1HG1  VAL  26          1HG1      VAL  26  -6.000   3.794  -5.075
  177   2HG1  VAL  26          2HG1      VAL  26  -4.236   3.891  -4.861
  178   3HG1  VAL  26          3HG1      VAL  26  -5.189   2.747  -3.885
  179   1HG2  VAL  26          1HG2      VAL  26  -5.543   6.952  -3.203
  180   2HG2  VAL  26          2HG2      VAL  26  -3.999   6.358  -3.861
  181   3HG2  VAL  26          3HG2      VAL  26  -5.478   6.278  -4.849
  182    H    THR  27           H        THR  27  -6.739   4.012  -0.198
  183    HA   THR  27           HA       THR  27  -6.597   6.709   0.844
  184    HB   THR  27           HB       THR  27  -8.719   6.714   1.893
  185    HG1  THR  27           HG1      THR  27  -9.842   4.527   2.006
  186   1HG2  THR  27          1HG2      THR  27  -9.120   5.007  -0.620
  187   2HG2  THR  27          2HG2      THR  27 -10.433   5.801   0.283
  188   3HG2  THR  27          3HG2      THR  27  -9.198   6.784  -0.540
  189    HA   PRO  28           HA       PRO  28  -4.572   4.742   4.080
  190   1HB   PRO  28          1HB       PRO  28  -5.331   6.080   6.338
  191   2HB   PRO  28          2HB       PRO  28  -4.155   6.709   5.201
  192   1HG   PRO  28          1HG       PRO  28  -6.970   7.521   5.597
  193   2HG   PRO  28          2HG       PRO  28  -5.679   8.392   4.793
  194   1HD   PRO  28          1HD       PRO  28  -7.826   6.962   3.538
  195   2HD   PRO  28          2HD       PRO  28  -6.472   7.734   2.737
  196    H    LYS  29           H        LYS  29  -6.832   3.313   3.230
  197    HA   LYS  29           HA       LYS  29  -6.988   1.458   5.273
  198   1HB   LYS  29          1HB       LYS  29  -8.335   3.521   6.224
  199   2HB   LYS  29          2HB       LYS  29  -9.611   2.913   5.189
  200   1HG   LYS  29          1HG       LYS  29  -8.276   0.772   6.736
  201   2HG   LYS  29          2HG       LYS  29  -9.014   1.988   7.759
  202   1HD   LYS  29          1HD       LYS  29 -10.777   1.263   5.520
  203   2HD   LYS  29          2HD       LYS  29 -10.331  -0.146   6.461
  204   1HE   LYS  29          1HE       LYS  29 -11.986   0.478   7.899
  205   2HE   LYS  29          2HE       LYS  29 -10.877   1.715   8.456
  206   1HZ   LYS  29          1HZ       LYS  29 -12.542   2.215   6.115
  207   2HZ   LYS  29          2HZ       LYS  29 -13.170   2.390   7.612
  208   3HZ   LYS  29          3HZ       LYS  29 -11.886   3.290   7.155
  209    H    GLU  30           H        GLU  30  -8.849   3.104   2.645
  210    HA   GLU  30           HA       GLU  30 -10.072   0.728   1.807
  211   1HB   GLU  30          1HB       GLU  30 -10.969   2.997   1.325
  212   2HB   GLU  30          2HB       GLU  30  -9.591   3.334   0.296
  213   1HG   GLU  30          1HG       GLU  30 -10.637   2.348  -1.454
  214   2HG   GLU  30          2HG       GLU  30 -10.691   0.830  -0.581
  215    H    CYS  31           H        CYS  31  -7.129   2.542   0.770
  216    HA   CYS  31           HA       CYS  31  -6.571   0.920  -1.434
  217   1HB   CYS  31          1HB       CYS  31  -5.420   2.871  -1.557
  218   2HB   CYS  31          2HB       CYS  31  -5.124   2.952   0.168
  219    H    ASN  32           H        ASN  32  -5.996   0.674   2.075
  220    HA   ASN  32           HA       ASN  32  -4.223  -1.555   1.691
  221   1HB   ASN  32          1HB       ASN  32  -3.612  -0.111   3.523
  222   2HB   ASN  32          2HB       ASN  32  -5.260  -0.024   4.115
  223   2HD2  ASN  32          2HD2      ASN  32  -5.295  -0.917   6.035
  224   1HD2  ASN  32          1HD2      ASN  32  -4.656  -2.464   6.480
  225    H    ASN  33           H        ASN  33  -7.522  -1.035   1.563
  226    HA   ASN  33           HA       ASN  33  -8.240  -3.369   3.100
  227   1HB   ASN  33          1HB       ASN  33  -9.699  -1.391   3.315
  228   2HB   ASN  33          2HB       ASN  33  -9.892  -1.289   1.577
  229   2HD2  ASN  33          2HD2      ASN  33 -10.983  -2.998   0.460
  230   1HD2  ASN  33          1HD2      ASN  33 -12.211  -3.933   1.245
  231    H    ARG  34           H        ARG  34  -8.117  -2.037  -0.246
  232    HA   ARG  34           HA       ARG  34  -9.490  -4.098  -1.474
  233   1HB   ARG  34          1HB       ARG  34  -8.495  -1.707  -2.303
  234   2HB   ARG  34          2HB       ARG  34  -7.235  -2.743  -2.944
  235   1HG   ARG  34          1HG       ARG  34 -10.226  -3.037  -3.499
  236   2HG   ARG  34          2HG       ARG  34  -9.046  -2.373  -4.612
  237   1HD   ARG  34          1HD       ARG  34  -7.800  -4.697  -4.239
  238   2HD   ARG  34          2HD       ARG  34  -9.373  -5.242  -3.693
  239    HE   ARG  34           HE       ARG  34  -9.945  -3.958  -6.083
  240   1HH1  ARG  34          1HH1      ARG  34  -7.723  -6.524  -5.158
  241   2HH1  ARG  34          2HH1      ARG  34  -7.761  -7.292  -6.710
  242   1HH2  ARG  34          1HH2      ARG  34  -9.996  -4.970  -8.131
  243   2HH2  ARG  34          2HH2      ARG  34  -9.063  -6.402  -8.413
  244    H    GLY  35           H        GLY  35  -6.257  -3.875  -0.136
  245   1HA   GLY  35          1HA       GLY  35  -5.575  -6.478  -1.367
  246   2HA   GLY  35          2HA       GLY  35  -5.195  -6.025   0.282
  247    H    CYS  36           H        CYS  36  -3.767  -4.022   0.584
  248    HA   CYS  36           HA       CYS  36  -1.395  -4.359  -0.730
  249   1HB   CYS  36          1HB       CYS  36  -3.119  -3.132  -2.497
  250   2HB   CYS  36          2HB       CYS  36  -2.266  -1.770  -1.797
  251    H    CYS  37           H        CYS  37  -0.605  -1.486  -0.730
  252    HA   CYS  37           HA       CYS  37  -1.141  -0.851   2.079
  253   1HB   CYS  37          1HB       CYS  37   1.464  -1.112   0.649
  254   2HB   CYS  37          2HB       CYS  37   1.308   0.168   1.835
  255    H    PHE  38           H        PHE  38  -1.237   1.454   2.532
  256    HA   PHE  38           HA       PHE  38  -1.530   3.058   0.091
  257   1HB   PHE  38          1HB       PHE  38  -3.630   2.716   1.370
  258   2HB   PHE  38          2HB       PHE  38  -2.824   3.098   2.878
  259    HD1  PHE  38           HD1      PHE  38  -4.138   4.514  -0.254
  260    HD2  PHE  38           HD2      PHE  38  -2.490   5.370   3.562
  261    HE1  PHE  38           HE1      PHE  38  -4.817   6.917  -0.500
  262    HE2  PHE  38           HE2      PHE  38  -3.169   7.774   3.316
  263    HZ   PHE  38           HZ       PHE  38  -4.325   8.519   1.288
  264    H    ASP  39           H        ASP  39  -1.327   5.553   0.695
  265    HA   ASP  39           HA       ASP  39   0.290   6.267   2.816
  266   1HB   ASP  39          1HB       ASP  39   2.110   5.074   1.748
  267   2HB   ASP  39          2HB       ASP  39   1.713   5.740   0.176
  268    H    SER  40           H        SER  40   0.438   8.603   2.857
  269    HA   SER  40           HA       SER  40  -0.449   9.920   0.419
  270   1HB   SER  40          1HB       SER  40  -1.906  11.410   1.728
  271   2HB   SER  40          2HB       SER  40  -2.387   9.739   1.949
  272    HG   SER  40           HG       SER  40  -0.674  11.199   3.775
  273    H    ARG  41           H        ARG  41   2.148   9.423   2.133
  274    HA   ARG  41           HA       ARG  41   2.864  11.808   3.294
  275   1HB   ARG  41          1HB       ARG  41   4.020   9.366   3.121
  276   2HB   ARG  41          2HB       ARG  41   4.960  10.162   1.875
  277   1HG   ARG  41          1HG       ARG  41   5.349  12.056   3.628
  278   2HG   ARG  41          2HG       ARG  41   4.740  10.919   4.814
  279   1HD   ARG  41          1HD       ARG  41   6.535   9.283   3.629
  280   2HD   ARG  41          2HD       ARG  41   7.290  10.807   3.209
  281    HE   ARG  41           HE       ARG  41   7.204   9.607   5.841
  282   1HH1  ARG  41          1HH1      ARG  41   7.182  12.720   4.202
  283   2HH1  ARG  41          2HH1      ARG  41   7.860  13.577   5.546
  284   1HH2  ARG  41          1HH2      ARG  41   8.098  10.736   7.615
  285   2HH2  ARG  41          2HH2      ARG  41   8.384  12.441   7.501
  286    H    ILE  42           H        ILE  42   3.445  10.529  -0.055
  287    HA   ILE  42           HA       ILE  42   3.667  13.285  -0.968
  288    HB   ILE  42           HB       ILE  42   5.604  12.056  -2.459
  289   1HG1  ILE  42          1HG1      ILE  42   7.165  11.029  -0.822
  290   2HG1  ILE  42          2HG1      ILE  42   5.908  11.083   0.398
  291   1HG2  ILE  42          1HG2      ILE  42   5.816  13.790   0.012
  292   2HG2  ILE  42          2HG2      ILE  42   7.188  13.417  -1.060
  293   3HG2  ILE  42          3HG2      ILE  42   5.779  14.303  -1.692
  294   1HD1  ILE  42          1HD1      ILE  42   4.986   9.860  -2.131
  295   2HD1  ILE  42          2HD1      ILE  42   6.340   8.985  -1.375
  296   3HD1  ILE  42          3HD1      ILE  42   4.838   9.263  -0.460
  297    HA   PRO  43           HA       PRO  43   1.099  11.524  -3.982
  298   1HB   PRO  43          1HB       PRO  43   0.820  13.700  -5.611
  299   2HB   PRO  43          2HB       PRO  43  -0.131  13.463  -4.158
  300   1HG   PRO  43          1HG       PRO  43   2.136  15.307  -4.609
  301   2HG   PRO  43          2HG       PRO  43   0.922  15.348  -3.346
  302   1HD   PRO  43          1HD       PRO  43   3.635  14.454  -3.090
  303   2HD   PRO  43          2HD       PRO  43   2.389  14.387  -1.860
  304    H    GLY  44           H        GLY  44   3.976  13.254  -4.974
  305   1HA   GLY  44          1HA       GLY  44   5.591  12.559  -6.408
  306   2HA   GLY  44          2HA       GLY  44   4.269  12.613  -7.557
  307    H    VAL  45           H        VAL  45   4.817  10.356  -4.772
  308    HA   VAL  45           HA       VAL  45   5.388   8.210  -6.635
  309    HB   VAL  45           HB       VAL  45   6.319   7.131  -4.878
  310   1HG1  VAL  45          1HG1      VAL  45   7.231   9.515  -5.050
  311   2HG1  VAL  45          2HG1      VAL  45   6.306   9.858  -3.568
  312   3HG1  VAL  45          3HG1      VAL  45   7.586   8.622  -3.551
  313   1HG2  VAL  45          1HG2      VAL  45   4.155   8.367  -3.165
  314   2HG2  VAL  45          2HG2      VAL  45   4.433   6.651  -3.547
  315   3HG2  VAL  45          3HG2      VAL  45   5.548   7.512  -2.460
  316    HA   PRO  46           HA       PRO  46   1.480   6.373  -6.396
  317   1HB   PRO  46          1HB       PRO  46   1.946   3.698  -6.088
  318   2HB   PRO  46          2HB       PRO  46   2.112   4.529  -7.621
  319   1HG   PRO  46          1HG       PRO  46   4.229   3.570  -5.794
  320   2HG   PRO  46          2HG       PRO  46   4.354   4.006  -7.487
  321   1HD   PRO  46          1HD       PRO  46   5.201   5.578  -5.242
  322   2HD   PRO  46          2HD       PRO  46   5.220   6.061  -6.927
  323    H    TRP  47           H        TRP  47   0.569   7.433  -4.627
  324    HA   TRP  47           HA       TRP  47   0.935   7.085  -2.056
  325   1HB   TRP  47          1HB       TRP  47  -1.540   7.390  -3.672
  326   2HB   TRP  47          2HB       TRP  47  -1.742   6.976  -1.981
  327    HD1  TRP  47           HD1      TRP  47   1.156   9.303  -2.984
  328    HE1  TRP  47           HE1      TRP  47   0.789  11.747  -2.059
  329    HE3  TRP  47           HE3      TRP  47  -3.591   8.530  -1.334
  330    HZ2  TRP  47           HZ2      TRP  47  -1.397  13.054  -0.770
  331    HZ3  TRP  47           HZ3      TRP  47  -4.771  10.442  -0.253
  332    HH2  TRP  47           HH2      TRP  47  -3.749  12.643   0.040
  333    H    CYS  48           H        CYS  48  -1.011   4.782  -4.092
  334    HA   CYS  48           HA       CYS  48  -0.930   2.880  -1.908
  335   1HB   CYS  48          1HB       CYS  48  -3.001   3.438  -3.332
  336   2HB   CYS  48          2HB       CYS  48  -2.252   2.467  -4.583
  337    H    PHE  49           H        PHE  49   0.540   1.196  -1.872
  338    HA   PHE  49           HA       PHE  49   1.684   0.303  -4.378
  339   1HB   PHE  49          1HB       PHE  49   4.000   0.519  -3.185
  340   2HB   PHE  49          2HB       PHE  49   3.286   2.016  -3.751
  341    HD1  PHE  49           HD1      PHE  49   3.459  -0.122  -0.701
  342    HD2  PHE  49           HD2      PHE  49   3.083   3.797  -2.282
  343    HE1  PHE  49           HE1      PHE  49   3.613   0.828   1.617
  344    HE2  PHE  49           HE2      PHE  49   3.238   4.747   0.036
  345    HZ   PHE  49           HZ       PHE  49   3.500   3.251   1.958
  346    H    LYS  50           H        LYS  50   3.081  -1.699  -4.020
  347    HA   LYS  50           HA       LYS  50   1.662  -3.485  -2.363
  348   1HB   LYS  50          1HB       LYS  50   4.348  -3.948  -3.680
  349   2HB   LYS  50          2HB       LYS  50   3.165  -5.151  -3.208
  350   1HG   LYS  50          1HG       LYS  50   1.521  -4.005  -4.824
  351   2HG   LYS  50          2HG       LYS  50   2.874  -3.053  -5.403
  352   1HD   LYS  50          1HD       LYS  50   2.939  -4.835  -6.911
  353   2HD   LYS  50          2HD       LYS  50   4.060  -5.412  -5.693
  354   1HE   LYS  50          1HE       LYS  50   2.509  -6.954  -4.792
  355   2HE   LYS  50          2HE       LYS  50   1.121  -6.072  -5.396
  356   1HZ   LYS  50          1HZ       LYS  50   2.421  -6.707  -7.641
  357   2HZ   LYS  50          2HZ       LYS  50   2.731  -8.018  -6.717
  358   3HZ   LYS  50          3HZ       LYS  50   1.188  -7.572  -7.010
  359    HA   PRO  51           HA       PRO  51   3.940  -3.335   1.300
  360   1HB   PRO  51          1HB       PRO  51   4.048  -5.935   2.136
  361   2HB   PRO  51          2HB       PRO  51   2.627  -4.927   2.321
  362   1HG   PRO  51          1HG       PRO  51   3.112  -7.111   0.389
  363   2HG   PRO  51          2HG       PRO  51   1.589  -6.393   0.873
  364   1HD   PRO  51          1HD       PRO  51   3.008  -5.920  -1.574
  365   2HD   PRO  51          2HD       PRO  51   1.546  -5.116  -1.038
  366    H    LEU  52           H        LEU  52   5.969  -2.738   1.684
  367    HA   LEU  52           HA       LEU  52   8.041  -3.251   0.112
  368   1HB   LEU  52          1HB       LEU  52   8.220  -1.712   1.896
  369   2HB   LEU  52          2HB       LEU  52   7.951  -2.951   3.106
  370    HG   LEU  52           HG       LEU  52  10.394  -2.819   1.318
  371   1HD1  LEU  52          1HD1      LEU  52   9.733  -1.424   3.829
  372   2HD1  LEU  52          2HD1      LEU  52  11.300  -2.268   3.828
  373   3HD1  LEU  52          3HD1      LEU  52  10.946  -1.048   2.581
  374   1HD2  LEU  52          1HD2      LEU  52   9.378  -4.799   3.214
  375   2HD2  LEU  52          2HD2      LEU  52  10.650  -4.935   1.977
  376   3HD2  LEU  52          3HD2      LEU  52  11.036  -4.265   3.580
  377    H    GLN  53           H        GLN  53   9.311  -4.929  -0.529
  378    HA   GLN  53           HA       GLN  53   8.547  -7.506   0.135
  379   1HB   GLN  53          1HB       GLN  53  10.837  -8.063  -1.004
  380   2HB   GLN  53          2HB       GLN  53   9.582  -7.297  -1.958
  381   1HG   GLN  53          1HG       GLN  53  11.360  -5.397  -0.502
  382   2HG   GLN  53          2HG       GLN  53  12.169  -6.356  -1.727
  383   2HE2  GLN  53          2HE2      GLN  53  11.267  -3.468  -1.449
  384   1HE2  GLN  53          1HE2      GLN  53  10.450  -3.100  -2.931
  385    H    GLU  54           H        GLU  54   8.558  -7.436   2.529
  386    HA   GLU  54           HA       GLU  54  10.683  -6.855   4.081
  387   1HB   GLU  54          1HB       GLU  54   9.584  -8.044   5.805
  388   2HB   GLU  54          2HB       GLU  54   8.284  -7.597   4.718
  389   1HG   GLU  54          1HG       GLU  54   7.805  -9.859   5.017
  390   2HG   GLU  54          2HG       GLU  54   8.805  -9.947   3.581
  391    H    ALA  55           H        ALA  55  12.760  -7.586   4.152
  392    HA   ALA  55           HA       ALA  55  13.326 -10.365   4.141
  393   1HB   ALA  55          1HB       ALA  55  12.975 -10.090   1.727
  394   2HB   ALA  55          2HB       ALA  55  14.698 -10.373   2.071
  395   3HB   ALA  55          3HB       ALA  55  14.123  -8.730   1.698
  396    H    GLU  56           H        GLU  56  13.722  -8.414   6.057
  397    HA   GLU  56           HA       GLU  56  15.205  -7.234   7.170
  398   1HB   GLU  56          1HB       GLU  56  15.816  -9.730   7.462
  399   2HB   GLU  56          2HB       GLU  56  17.169  -9.422   6.391
  400   1HG   GLU  56          1HG       GLU  56  18.326  -8.749   8.227
  401   2HG   GLU  56          2HG       GLU  56  17.331  -7.306   8.221
  402    H    CYS  57           H        CYS  57  14.992  -5.885   4.875
  403    HA   CYS  57           HA       CYS  57  17.768  -5.218   4.263
  404   1HB   CYS  57          1HB       CYS  57  15.771  -6.237   2.409
  405   2HB   CYS  57          2HB       CYS  57  16.356  -4.658   1.924
  406    H    THR  58           H        THR  58  17.974  -3.178   5.132
  407    HA   THR  58           HA       THR  58  16.459  -1.028   4.191
  408    HB   THR  58           HB       THR  58  14.642  -2.041   5.565
  409    HG1  THR  58           HG1      THR  58  14.601   0.221   5.648
  410   1HG2  THR  58          1HG2      THR  58  16.783  -2.561   7.417
  411   2HG2  THR  58          2HG2      THR  58  15.706  -1.366   8.179
  412   3HG2  THR  58          3HG2      THR  58  15.054  -2.929   7.628
  413    H    PHE  59           H        PHE  59  18.624  -0.341   3.849
  414    HA   PHE  59           HA       PHE  59  20.472   0.743   4.364
  415   1HB   PHE  59          1HB       PHE  59  18.520   2.049   5.622
  416   2HB   PHE  59          2HB       PHE  59  19.188   1.341   7.080
  417    HD1  PHE  59           HD1      PHE  59  20.780   2.863   4.059
  418    HD2  PHE  59           HD2      PHE  59  20.309   2.958   8.275
  419    HE1  PHE  59           HE1      PHE  59  22.448   4.734   4.204
  420    HE2  PHE  59           HE2      PHE  59  21.976   4.828   8.420
  421    HZ   PHE  59           HZ       PHE  59  23.026   5.694   6.382

  No H/Q in entry =         421
  Start of MODEL   30
    1    H    GLU   1           H        GLU   1   7.903 -18.849  18.060
    2    HA   GLU   1           HA       GLU   1   6.269 -17.434  17.452
    3   1HB   GLU   1          1HB       GLU   1   7.149 -15.792  19.855
    4   2HB   GLU   1          2HB       GLU   1   6.019 -15.163  18.673
    5   1HG   GLU   1          1HG       GLU   1   4.592 -16.119  20.294
    6   2HG   GLU   1          2HG       GLU   1   4.669 -17.368  19.067
    7    H    GLU   2           H        GLU   2   6.370 -15.771  15.831
    8    HA   GLU   2           HA       GLU   2   9.099 -15.102  15.176
    9   1HB   GLU   2          1HB       GLU   2   7.109 -16.054  13.613
   10   2HB   GLU   2          2HB       GLU   2   6.805 -14.342  13.392
   11   1HG   GLU   2          1HG       GLU   2   8.889 -13.955  12.368
   12   2HG   GLU   2          2HG       GLU   2   9.649 -15.329  13.146
   13    H    TYR   3           H        TYR   3   9.260 -12.791  13.977
   14    HA   TYR   3           HA       TYR   3   7.760 -10.837  15.572
   15   1HB   TYR   3          1HB       TYR   3   9.835  -9.818  16.200
   16   2HB   TYR   3          2HB       TYR   3  10.271 -11.515  16.231
   17    HD1  TYR   3           HD1      TYR   3  10.563  -8.366  14.322
   18    HD2  TYR   3           HD2      TYR   3  11.806 -12.449  14.610
   19    HE1  TYR   3           HE1      TYR   3  12.419  -7.927  12.640
   20    HE2  TYR   3           HE2      TYR   3  13.658 -11.997  12.927
   21    HH   TYR   3           HH       TYR   3  14.865 -10.325  11.990
   22    H    VAL   4           H        VAL   4   7.580  -8.712  14.578
   23    HA   VAL   4           HA       VAL   4   8.488  -8.514  11.831
   24    HB   VAL   4           HB       VAL   4   6.264  -8.003  10.989
   25   1HG1  VAL   4          1HG1      VAL   4   7.091 -10.297  10.786
   26   2HG1  VAL   4          2HG1      VAL   4   6.399 -10.703  12.375
   27   3HG1  VAL   4          3HG1      VAL   4   5.326 -10.281  11.019
   28   1HG2  VAL   4          1HG2      VAL   4   5.578  -7.714  13.697
   29   2HG2  VAL   4          2HG2      VAL   4   4.496  -7.588  12.289
   30   3HG2  VAL   4          3HG2      VAL   4   4.678  -9.143  13.135
   31    H    GLY   5           H        GLY   5   6.135  -6.320  11.874
   32   1HA   GLY   5          1HA       GLY   5   7.572  -4.069  12.088
   33   2HA   GLY   5          2HA       GLY   5   7.233  -4.420  13.771
   34    H    LEU   6           H        LEU   6   4.693  -5.397  13.881
   35    HA   LEU   6           HA       LEU   6   2.722  -4.527  12.301
   36   1HB   LEU   6          1HB       LEU   6   2.931  -5.566  14.830
   37   2HB   LEU   6          2HB       LEU   6   2.191  -4.008  15.141
   38    HG   LEU   6           HG       LEU   6   1.005  -5.642  12.949
   39   1HD1  LEU   6          1HD1      LEU   6   1.522  -7.260  14.811
   40   2HD1  LEU   6          2HD1      LEU   6   0.421  -6.314  15.840
   41   3HD1  LEU   6          3HD1      LEU   6  -0.197  -7.113  14.375
   42   1HD2  LEU   6          1HD2      LEU   6  -0.051  -3.806  15.107
   43   2HD2  LEU   6          2HD2      LEU   6   0.001  -3.533  13.349
   44   3HD2  LEU   6          3HD2      LEU   6  -1.101  -4.755  14.027
   45    H    SER   7           H        SER   7   2.904  -2.620  11.161
   46    HA   SER   7           HA       SER   7   1.973  -0.339  12.235
   47   1HB   SER   7          1HB       SER   7   4.220   1.039  12.213
   48   2HB   SER   7          2HB       SER   7   3.761   0.152  13.652
   49    HG   SER   7           HG       SER   7   5.121  -1.588  12.119
   50    H    ALA   8           H        ALA   8   5.063   0.006  10.501
   51    HA   ALA   8           HA       ALA   8   3.566   0.183   7.977
   52   1HB   ALA   8          1HB       ALA   8   4.459   2.249   7.503
   53   2HB   ALA   8          2HB       ALA   8   5.936   1.951   8.451
   54   3HB   ALA   8          3HB       ALA   8   4.417   2.373   9.278
   55    H    ASN   9           H        ASN   9   5.740  -1.562   9.744
   56    HA   ASN   9           HA       ASN   9   8.017  -1.792   8.379
   57   1HB   ASN   9          1HB       ASN   9   7.675  -3.188  10.314
   58   2HB   ASN   9          2HB       ASN   9   6.230  -3.915   9.640
   59   2HD2  ASN   9          2HD2      ASN   9   9.723  -3.572   9.173
   60   1HD2  ASN   9          1HD2      ASN   9  10.010  -5.117   8.446
   61    H    GLN  10           H        GLN  10   4.749  -2.625   7.337
   62    HA   GLN  10           HA       GLN  10   5.755  -4.198   5.132
   63   1HB   GLN  10          1HB       GLN  10   3.564  -4.571   6.673
   64   2HB   GLN  10          2HB       GLN  10   2.833  -3.575   5.430
   65   1HG   GLN  10          1HG       GLN  10   2.652  -5.447   4.160
   66   2HG   GLN  10          2HG       GLN  10   4.393  -5.402   3.968
   67   2HE2  GLN  10          2HE2      GLN  10   2.316  -6.062   6.781
   68   1HE2  GLN  10          1HE2      GLN  10   2.928  -7.641   7.142
   69    H    CYS  11           H        CYS  11   4.189  -1.070   5.896
   70    HA   CYS  11           HA       CYS  11   4.436  -0.383   3.058
   71   1HB   CYS  11          1HB       CYS  11   2.717   1.259   4.839
   72   2HB   CYS  11          2HB       CYS  11   2.543   0.876   3.138
   73    H    ALA  12           H        ALA  12   6.750  -0.356   4.603
   74    HA   ALA  12           HA       ALA  12   7.057   2.490   5.280
   75   1HB   ALA  12          1HB       ALA  12   9.074   1.507   6.615
   76   2HB   ALA  12          2HB       ALA  12   7.433   1.312   7.277
   77   3HB   ALA  12          3HB       ALA  12   8.223  -0.046   6.441
   78    H    VAL  13           H        VAL  13   7.136   2.175   2.656
   79    HA   VAL  13           HA       VAL  13   9.860   1.487   1.886
   80    HB   VAL  13           HB       VAL  13   7.947   2.449  -0.135
   81   1HG1  VAL  13          1HG1      VAL  13  10.158   0.548   0.143
   82   2HG1  VAL  13          2HG1      VAL  13   8.795  -0.107  -0.796
   83   3HG1  VAL  13          3HG1      VAL  13   9.567   1.418  -1.293
   84   1HG2  VAL  13          1HG2      VAL  13   7.309   0.102   1.646
   85   2HG2  VAL  13          2HG2      VAL  13   6.236   1.387   1.040
   86   3HG2  VAL  13          3HG2      VAL  13   6.808   0.111  -0.062
   87    HA   PRO  14           HA       PRO  14  11.040   5.636   1.637
   88   1HB   PRO  14          1HB       PRO  14  13.067   5.519  -0.193
   89   2HB   PRO  14          2HB       PRO  14  13.267   5.072   1.490
   90   1HG   PRO  14          1HG       PRO  14  13.057   3.319  -0.881
   91   2HG   PRO  14          2HG       PRO  14  13.672   2.937   0.716
   92   1HD   PRO  14          1HD       PRO  14  11.118   2.199  -0.362
   93   2HD   PRO  14          2HD       PRO  14  11.687   1.919   1.272
   94    H    ALA  15           H        ALA  15   9.227   4.228  -0.615
   95    HA   ALA  15           HA       ALA  15   7.806   5.224  -2.041
   96   1HB   ALA  15          1HB       ALA  15   8.831   7.450  -0.746
   97   2HB   ALA  15          2HB       ALA  15   7.543   7.470  -1.974
   98   3HB   ALA  15          3HB       ALA  15   9.232   7.769  -2.450
   99    H    LYS  16           H        LYS  16  11.326   5.326  -2.330
  100    HA   LYS  16           HA       LYS  16  11.187   5.438  -5.220
  101   1HB   LYS  16          1HB       LYS  16  13.613   5.502  -5.118
  102   2HB   LYS  16          2HB       LYS  16  12.924   6.701  -4.041
  103   1HG   LYS  16          1HG       LYS  16  14.440   5.773  -2.564
  104   2HG   LYS  16          2HG       LYS  16  13.103   4.679  -2.263
  105   1HD   LYS  16          1HD       LYS  16  14.503   2.983  -2.831
  106   2HD   LYS  16          2HD       LYS  16  14.362   3.531  -4.489
  107   1HE   LYS  16          1HE       LYS  16  16.333   4.995  -4.224
  108   2HE   LYS  16          2HE       LYS  16  16.433   4.609  -2.517
  109   1HZ   LYS  16          1HZ       LYS  16  16.527   2.200  -3.472
  110   2HZ   LYS  16          2HZ       LYS  16  17.103   2.960  -4.798
  111   3HZ   LYS  16          3HZ       LYS  16  17.874   3.117  -3.367
  112    H    ASP  17           H        ASP  17  10.318   3.149  -3.107
  113    HA   ASP  17           HA       ASP  17  11.445   1.061  -4.797
  114   1HB   ASP  17          1HB       ASP  17  11.802   1.423  -1.975
  115   2HB   ASP  17          2HB       ASP  17  10.716   0.060  -2.164
  116    H    ARG  18           H        ARG  18   8.829   2.732  -4.613
  117    HA   ARG  18           HA       ARG  18   6.893   0.912  -3.654
  118   1HB   ARG  18          1HB       ARG  18   6.365   3.248  -5.541
  119   2HB   ARG  18          2HB       ARG  18   5.276   2.570  -4.347
  120   1HG   ARG  18          1HG       ARG  18   7.921   3.685  -3.404
  121   2HG   ARG  18          2HG       ARG  18   6.657   4.812  -3.851
  122   1HD   ARG  18          1HD       ARG  18   5.306   2.916  -2.270
  123   2HD   ARG  18          2HD       ARG  18   6.857   3.080  -1.470
  124    HE   ARG  18           HE       ARG  18   5.477   5.599  -2.223
  125   1HH1  ARG  18          1HH1      ARG  18   6.312   3.290   0.298
  126   2HH1  ARG  18          2HH1      ARG  18   5.965   4.385   1.594
  127   1HH2  ARG  18          1HH2      ARG  18   5.020   7.045  -0.513
  128   2HH2  ARG  18          2HH2      ARG  18   5.225   6.536   1.130
  129    H    VAL  19           H        VAL  19   5.683  -0.612  -4.820
  130    HA   VAL  19           HA       VAL  19   6.561  -1.058  -7.558
  131    HB   VAL  19           HB       VAL  19   4.808  -2.753  -5.772
  132   1HG1  VAL  19          1HG1      VAL  19   6.205  -3.216  -8.409
  133   2HG1  VAL  19          2HG1      VAL  19   5.780  -4.569  -7.333
  134   3HG1  VAL  19          3HG1      VAL  19   4.504  -3.506  -7.972
  135   1HG2  VAL  19          1HG2      VAL  19   7.393  -2.116  -5.187
  136   2HG2  VAL  19          2HG2      VAL  19   6.609  -3.651  -4.744
  137   3HG2  VAL  19          3HG2      VAL  19   7.622  -3.558  -6.205
  138    H    ASP  20           H        ASP  20   4.240   0.764  -5.986
  139    HA   ASP  20           HA       ASP  20   2.312   1.610  -6.517
  140   1HB   ASP  20          1HB       ASP  20   3.367   2.605  -8.409
  141   2HB   ASP  20          2HB       ASP  20   3.508   1.076  -9.252
  142    H    CYS  21           H        CYS  21   0.658   0.218  -5.778
  143    HA   CYS  21           HA       CYS  21   0.186  -2.292  -6.987
  144   1HB   CYS  21          1HB       CYS  21  -0.391  -1.205  -4.572
  145   2HB   CYS  21          2HB       CYS  21  -1.953  -1.059  -5.352
  146    H    GLY  22           H        GLY  22  -0.824   1.038  -7.532
  147   1HA   GLY  22          1HA       GLY  22  -2.102   0.407  -9.978
  148   2HA   GLY  22          2HA       GLY  22  -2.056   1.963  -9.173
  149    H    TYR  23           H        TYR  23  -3.762   2.610  -7.762
  150    HA   TYR  23           HA       TYR  23  -6.165   0.971  -8.072
  151   1HB   TYR  23          1HB       TYR  23  -4.658   1.899  -5.606
  152   2HB   TYR  23          2HB       TYR  23  -6.406   1.991  -5.520
  153    HD1  TYR  23           HD1      TYR  23  -7.671  -0.239  -6.277
  154    HD2  TYR  23           HD2      TYR  23  -3.617  -0.064  -4.920
  155    HE1  TYR  23           HE1      TYR  23  -7.764  -2.703  -5.660
  156    HE2  TYR  23           HE2      TYR  23  -3.724  -2.529  -4.307
  157    HH   TYR  23           HH       TYR  23  -6.694  -4.242  -4.241
  158    HA   PRO  24           HA       PRO  24  -7.917   4.854  -8.846
  159   1HB   PRO  24          1HB       PRO  24 -10.572   4.277  -8.556
  160   2HB   PRO  24          2HB       PRO  24  -9.665   3.910 -10.009
  161   1HG   PRO  24          1HG       PRO  24 -10.583   2.072  -7.884
  162   2HG   PRO  24          2HG       PRO  24 -10.065   1.693  -9.515
  163   1HD   PRO  24          1HD       PRO  24  -8.550   1.335  -7.106
  164   2HD   PRO  24          2HD       PRO  24  -7.991   1.066  -8.745
  165    H    HIS  25           H        HIS  25 -10.043   3.557  -6.347
  166    HA   HIS  25           HA       HIS  25  -9.747   6.097  -4.985
  167   1HB   HIS  25          1HB       HIS  25 -11.698   5.518  -3.776
  168   2HB   HIS  25          2HB       HIS  25 -11.989   5.079  -5.447
  169    HD1  HIS  25           HD1      HIS  25 -13.550   3.787  -3.048
  170    HD2  HIS  25           HD2      HIS  25 -10.200   2.101  -4.929
  171    HE1  HIS  25           HE1      HIS  25 -13.667   1.277  -2.602
  172    HE2  HIS  25           HE2      HIS  25 -11.613   0.289  -3.828
  173    H    VAL  26           H        VAL  26  -7.585   5.917  -4.189
  174    HA   VAL  26           HA       VAL  26  -7.112   3.693  -2.356
  175    HB   VAL  26           HB       VAL  26  -4.773   4.536  -2.418
  176   1HG1  VAL  26          1HG1      VAL  26  -5.518   2.712  -3.886
  177   2HG1  VAL  26          2HG1      VAL  26  -6.000   3.898  -5.123
  178   3HG1  VAL  26          3HG1      VAL  26  -4.285   3.720  -4.682
  179   1HG2  VAL  26          1HG2      VAL  26  -5.770   6.894  -3.264
  180   2HG2  VAL  26          2HG2      VAL  26  -4.094   6.376  -3.568
  181   3HG2  VAL  26          3HG2      VAL  26  -5.331   6.180  -4.834
  182    H    THR  27           H        THR  27  -6.829   3.982  -0.148
  183    HA   THR  27           HA       THR  27  -6.646   6.666   0.910
  184    HB   THR  27           HB       THR  27  -8.773   6.724   1.941
  185    HG1  THR  27           HG1      THR  27  -9.935   4.605   2.146
  186   1HG2  THR  27          1HG2      THR  27  -9.207   5.015  -0.566
  187   2HG2  THR  27          2HG2      THR  27 -10.502   5.848   0.328
  188   3HG2  THR  27          3HG2      THR  27  -9.238   6.793  -0.496
  189    HA   PRO  28           HA       PRO  28  -4.683   4.628   4.140
  190   1HB   PRO  28          1HB       PRO  28  -5.406   5.982   6.401
  191   2HB   PRO  28          2HB       PRO  28  -4.210   6.579   5.268
  192   1HG   PRO  28          1HG       PRO  28  -7.001   7.473   5.660
  193   2HG   PRO  28          2HG       PRO  28  -5.683   8.307   4.861
  194   1HD   PRO  28          1HD       PRO  28  -7.868   6.945   3.598
  195   2HD   PRO  28          2HD       PRO  28  -6.490   7.679   2.802
  196    H    LYS  29           H        LYS  29  -6.992   3.277   3.282
  197    HA   LYS  29           HA       LYS  29  -7.208   1.430   5.337
  198   1HB   LYS  29          1HB       LYS  29  -8.510   3.510   6.274
  199   2HB   LYS  29          2HB       LYS  29  -9.780   2.978   5.191
  200   1HG   LYS  29          1HG       LYS  29  -8.493   0.869   6.904
  201   2HG   LYS  29          2HG       LYS  29  -9.518   2.031   7.722
  202   1HD   LYS  29          1HD       LYS  29 -10.521   0.696   5.194
  203   2HD   LYS  29          2HD       LYS  29 -10.563  -0.191   6.705
  204   1HE   LYS  29          1HE       LYS  29 -12.229   1.135   7.604
  205   2HE   LYS  29          2HE       LYS  29 -11.614   2.600   6.864
  206   1HZ   LYS  29          1HZ       LYS  29 -12.468   0.936   4.831
  207   2HZ   LYS  29          2HZ       LYS  29 -13.652   0.948   5.956
  208   3HZ   LYS  29          3HZ       LYS  29 -13.127   2.352   5.308
  209    H    GLU  30           H        GLU  30  -8.961   3.095   2.651
  210    HA   GLU  30           HA       GLU  30 -10.218   0.727   1.814
  211   1HB   GLU  30          1HB       GLU  30 -11.126   2.963   1.305
  212   2HB   GLU  30          2HB       GLU  30  -9.709   3.355   0.352
  213   1HG   GLU  30          1HG       GLU  30 -10.706   2.444  -1.466
  214   2HG   GLU  30          2HG       GLU  30 -10.663   0.876  -0.683
  215    H    CYS  31           H        CYS  31  -7.226   2.493   0.853
  216    HA   CYS  31           HA       CYS  31  -6.664   0.863  -1.357
  217   1HB   CYS  31          1HB       CYS  31  -5.521   2.828  -1.466
  218   2HB   CYS  31          2HB       CYS  31  -5.205   2.887   0.257
  219    H    ASN  32           H        ASN  32  -5.964   0.728   2.161
  220    HA   ASN  32           HA       ASN  32  -4.224  -1.506   1.834
  221   1HB   ASN  32          1HB       ASN  32  -3.552  -0.824   3.907
  222   2HB   ASN  32          2HB       ASN  32  -4.788   0.418   3.876
  223   2HD2  ASN  32          2HD2      ASN  32  -7.043  -0.350   4.377
  224   1HD2  ASN  32          1HD2      ASN  32  -7.244  -1.456   5.695
  225    H    ASN  33           H        ASN  33  -7.553  -1.030   1.668
  226    HA   ASN  33           HA       ASN  33  -8.211  -3.464   3.084
  227   1HB   ASN  33          1HB       ASN  33  -9.724  -1.598   3.511
  228   2HB   ASN  33          2HB       ASN  33  -9.886  -1.253   1.800
  229   2HD2  ASN  33          2HD2      ASN  33 -11.757  -1.805   1.016
  230   1HD2  ASN  33          1HD2      ASN  33 -12.715  -3.186   1.436
  231    H    ARG  34           H        ARG  34  -8.191  -1.892  -0.159
  232    HA   ARG  34           HA       ARG  34  -9.587  -3.806  -1.533
  233   1HB   ARG  34          1HB       ARG  34  -8.419  -1.427  -2.184
  234   2HB   ARG  34          2HB       ARG  34  -7.242  -2.509  -2.901
  235   1HG   ARG  34          1HG       ARG  34  -9.088  -1.834  -4.487
  236   2HG   ARG  34          2HG       ARG  34  -8.932  -3.569  -4.294
  237   1HD   ARG  34          1HD       ARG  34 -10.766  -2.371  -2.304
  238   2HD   ARG  34          2HD       ARG  34 -11.287  -2.086  -3.953
  239    HE   ARG  34           HE       ARG  34 -11.186  -4.667  -2.576
  240   1HH1  ARG  34          1HH1      ARG  34 -11.192  -3.086  -5.719
  241   2HH1  ARG  34          2HH1      ARG  34 -11.796  -4.475  -6.560
  242   1HH2  ARG  34          1HH2      ARG  34 -11.983  -6.500  -3.684
  243   2HH2  ARG  34          2HH2      ARG  34 -12.249  -6.430  -5.394
  244    H    GLY  35           H        GLY  35  -6.288  -3.778  -0.264
  245   1HA   GLY  35          1HA       GLY  35  -5.759  -6.352  -1.627
  246   2HA   GLY  35          2HA       GLY  35  -5.388  -6.050   0.059
  247    H    CYS  36           H        CYS  36  -3.900  -4.091   0.515
  248    HA   CYS  36           HA       CYS  36  -1.489  -4.465  -0.663
  249   1HB   CYS  36          1HB       CYS  36  -3.124  -3.103  -2.497
  250   2HB   CYS  36          2HB       CYS  36  -2.067  -1.878  -1.824
  251    H    CYS  37           H        CYS  37  -0.568  -1.656  -0.639
  252    HA   CYS  37           HA       CYS  37  -1.233  -0.985   2.136
  253   1HB   CYS  37          1HB       CYS  37   1.393  -1.255   0.767
  254   2HB   CYS  37          2HB       CYS  37   1.219   0.079   1.891
  255    H    PHE  38           H        PHE  38  -1.272   1.344   2.602
  256    HA   PHE  38           HA       PHE  38  -1.603   2.934   0.156
  257   1HB   PHE  38          1HB       PHE  38  -3.695   2.597   1.447
  258   2HB   PHE  38          2HB       PHE  38  -2.880   2.976   2.951
  259    HD1  PHE  38           HD1      PHE  38  -4.169   4.408  -0.190
  260    HD2  PHE  38           HD2      PHE  38  -2.582   5.236   3.658
  261    HE1  PHE  38           HE1      PHE  38  -4.849   6.813  -0.427
  262    HE2  PHE  38           HE2      PHE  38  -3.262   7.641   3.420
  263    HZ   PHE  38           HZ       PHE  38  -4.387   8.400   1.380
  264    H    ASP  39           H        ASP  39  -1.391   5.429   0.739
  265    HA   ASP  39           HA       ASP  39   0.205   6.183   2.849
  266   1HB   ASP  39          1HB       ASP  39   2.013   4.908   1.810
  267   2HB   ASP  39          2HB       ASP  39   1.687   5.622   0.244
  268    H    SER  40           H        SER  40   0.372   8.517   2.827
  269    HA   SER  40           HA       SER  40  -0.463   9.768   0.335
  270   1HB   SER  40          1HB       SER  40  -1.939  11.291   1.546
  271   2HB   SER  40          2HB       SER  40  -2.401   9.639   1.903
  272    HG   SER  40           HG       SER  40  -0.644  11.195   3.597
  273    H    ARG  41           H        ARG  41   2.135   9.290   2.001
  274    HA   ARG  41           HA       ARG  41   2.897  11.651   3.162
  275   1HB   ARG  41          1HB       ARG  41   4.050   9.169   2.742
  276   2HB   ARG  41          2HB       ARG  41   5.029  10.167   1.686
  277   1HG   ARG  41          1HG       ARG  41   4.868  11.734   3.987
  278   2HG   ARG  41          2HG       ARG  41   4.910  10.112   4.649
  279   1HD   ARG  41          1HD       ARG  41   7.125   9.907   4.179
  280   2HD   ARG  41          2HD       ARG  41   6.859  10.313   2.495
  281    HE   ARG  41           HE       ARG  41   7.721  12.421   2.966
  282   1HH1  ARG  41          1HH1      ARG  41   6.253  11.151   5.901
  283   2HH1  ARG  41          2HH1      ARG  41   6.677  12.528   6.862
  284   1HH2  ARG  41          1HH2      ARG  41   8.281  14.238   4.233
  285   2HH2  ARG  41          2HH2      ARG  41   7.839  14.296   5.907
  286    H    ILE  42           H        ILE  42   3.452  10.424  -0.218
  287    HA   ILE  42           HA       ILE  42   3.551  13.189  -1.114
  288    HB   ILE  42           HB       ILE  42   5.562  12.097  -2.599
  289   1HG1  ILE  42          1HG1      ILE  42   7.163  11.103  -0.992
  290   2HG1  ILE  42          2HG1      ILE  42   5.915  11.082   0.237
  291   1HG2  ILE  42          1HG2      ILE  42   5.366  14.357  -1.514
  292   2HG2  ILE  42          2HG2      ILE  42   5.986  13.618  -0.018
  293   3HG2  ILE  42          3HG2      ILE  42   6.994  13.637  -1.485
  294   1HD1  ILE  42          1HD1      ILE  42   5.062   9.856  -2.325
  295   2HD1  ILE  42          2HD1      ILE  42   6.419   9.019  -1.534
  296   3HD1  ILE  42          3HD1      ILE  42   4.886   9.250  -0.660
  297    HA   PRO  43           HA       PRO  43   1.114  11.316  -4.166
  298   1HB   PRO  43          1HB       PRO  43   0.781  13.467  -5.820
  299   2HB   PRO  43          2HB       PRO  43  -0.183  13.207  -4.379
  300   1HG   PRO  43          1HG       PRO  43   2.021  15.129  -4.812
  301   2HG   PRO  43          2HG       PRO  43   0.787  15.136  -3.569
  302   1HD   PRO  43          1HD       PRO  43   3.527  14.345  -3.262
  303   2HD   PRO  43          2HD       PRO  43   2.265  14.244  -2.051
  304    H    GLY  44           H        GLY  44   3.955  13.124  -5.112
  305   1HA   GLY  44          1HA       GLY  44   5.604  12.507  -6.535
  306   2HA   GLY  44          2HA       GLY  44   4.293  12.452  -7.697
  307    H    VAL  45           H        VAL  45   4.448  10.254  -4.882
  308    HA   VAL  45           HA       VAL  45   5.311   8.100  -6.669
  309    HB   VAL  45           HB       VAL  45   6.293   7.110  -4.892
  310   1HG1  VAL  45          1HG1      VAL  45   6.133  10.004  -3.988
  311   2HG1  VAL  45          2HG1      VAL  45   7.260   8.796  -3.325
  312   3HG1  VAL  45          3HG1      VAL  45   7.369   9.269  -5.037
  313   1HG2  VAL  45          1HG2      VAL  45   4.075   8.285  -3.206
  314   2HG2  VAL  45          2HG2      VAL  45   4.434   6.576  -3.548
  315   3HG2  VAL  45          3HG2      VAL  45   5.506   7.513  -2.480
  316    HA   PRO  46           HA       PRO  46   1.467   6.141  -6.359
  317   1HB   PRO  46          1HB       PRO  46   2.022   3.494  -5.970
  318   2HB   PRO  46          2HB       PRO  46   2.158   4.282  -7.529
  319   1HG   PRO  46          1HG       PRO  46   4.309   3.450  -5.680
  320   2HG   PRO  46          2HG       PRO  46   4.416   3.837  -7.385
  321   1HD   PRO  46          1HD       PRO  46   5.216   5.505  -5.194
  322   2HD   PRO  46          2HD       PRO  46   5.215   5.936  -6.892
  323    H    TRP  47           H        TRP  47   0.528   7.227  -4.620
  324    HA   TRP  47           HA       TRP  47   0.931   6.930  -2.033
  325   1HB   TRP  47          1HB       TRP  47  -1.558   7.215  -3.637
  326   2HB   TRP  47          2HB       TRP  47  -1.737   6.858  -1.931
  327    HD1  TRP  47           HD1      TRP  47   1.160   9.130  -3.057
  328    HE1  TRP  47           HE1      TRP  47   0.827  11.605  -2.204
  329    HE3  TRP  47           HE3      TRP  47  -3.562   8.445  -1.300
  330    HZ2  TRP  47           HZ2      TRP  47  -1.326  12.968  -0.919
  331    HZ3  TRP  47           HZ3      TRP  47  -4.709  10.400  -0.261
  332    HH2  TRP  47           HH2      TRP  47  -3.667  12.601  -0.056
  333    H    CYS  48           H        CYS  48  -1.048   4.620  -4.028
  334    HA   CYS  48           HA       CYS  48  -0.945   2.739  -1.822
  335   1HB   CYS  48          1HB       CYS  48  -3.056   3.305  -3.166
  336   2HB   CYS  48          2HB       CYS  48  -2.357   2.347  -4.456
  337    H    PHE  49           H        PHE  49   0.917   1.517  -1.754
  338    HA   PHE  49           HA       PHE  49   1.866   0.456  -4.318
  339   1HB   PHE  49          1HB       PHE  49   4.180   0.650  -3.112
  340   2HB   PHE  49          2HB       PHE  49   3.464   2.156  -3.652
  341    HD1  PHE  49           HD1      PHE  49   3.641  -0.040  -0.644
  342    HD2  PHE  49           HD2      PHE  49   3.241   3.907  -2.150
  343    HE1  PHE  49           HE1      PHE  49   3.783   0.866   1.693
  344    HE2  PHE  49           HE2      PHE  49   3.383   4.813   0.187
  345    HZ   PHE  49           HZ       PHE  49   3.652   3.281   2.080
  346    H    LYS  50           H        LYS  50   3.240  -1.559  -4.030
  347    HA   LYS  50           HA       LYS  50   1.839  -3.397  -2.435
  348   1HB   LYS  50          1HB       LYS  50   4.419  -3.562  -4.007
  349   2HB   LYS  50          2HB       LYS  50   3.746  -4.932  -3.146
  350   1HG   LYS  50          1HG       LYS  50   1.526  -3.972  -4.526
  351   2HG   LYS  50          2HG       LYS  50   2.824  -3.644  -5.656
  352   1HD   LYS  50          1HD       LYS  50   3.387  -6.240  -4.693
  353   2HD   LYS  50          2HD       LYS  50   1.645  -6.221  -4.879
  354   1HE   LYS  50          1HE       LYS  50   2.560  -4.933  -7.206
  355   2HE   LYS  50          2HE       LYS  50   3.746  -6.197  -6.950
  356   1HZ   LYS  50          1HZ       LYS  50   1.085  -7.097  -6.539
  357   2HZ   LYS  50          2HZ       LYS  50   1.318  -6.531  -8.053
  358   3HZ   LYS  50          3HZ       LYS  50   2.262  -7.732  -7.476
  359    HA   PRO  51           HA       PRO  51   4.024  -3.301   1.285
  360   1HB   PRO  51          1HB       PRO  51   4.089  -5.914   2.082
  361   2HB   PRO  51          2HB       PRO  51   2.673  -4.896   2.250
  362   1HG   PRO  51          1HG       PRO  51   3.182  -7.054   0.296
  363   2HG   PRO  51          2HG       PRO  51   1.655  -6.328   0.756
  364   1HD   PRO  51          1HD       PRO  51   3.135  -5.832  -1.650
  365   2HD   PRO  51          2HD       PRO  51   1.669  -5.022  -1.136
  366    H    LEU  52           H        LEU  52   6.050  -2.654   1.598
  367    HA   LEU  52           HA       LEU  52   8.139  -3.243   0.084
  368   1HB   LEU  52          1HB       LEU  52   8.316  -1.632   1.795
  369   2HB   LEU  52          2HB       LEU  52   8.000  -2.806   3.058
  370    HG   LEU  52           HG       LEU  52  10.485  -2.806   1.323
  371   1HD1  LEU  52          1HD1      LEU  52  10.140  -0.772   2.844
  372   2HD1  LEU  52          2HD1      LEU  52  10.370  -1.904   4.198
  373   3HD1  LEU  52          3HD1      LEU  52  11.665  -1.676   2.999
  374   1HD2  LEU  52          1HD2      LEU  52   9.388  -4.673   3.270
  375   2HD2  LEU  52          2HD2      LEU  52  10.731  -4.870   2.119
  376   3HD2  LEU  52          3HD2      LEU  52  11.022  -4.121   3.707
  377    H    GLN  53           H        GLN  53   9.451  -4.934  -0.443
  378    HA   GLN  53           HA       GLN  53   8.661  -7.487   0.273
  379   1HB   GLN  53          1HB       GLN  53  11.011  -8.071  -0.738
  380   2HB   GLN  53          2HB       GLN  53   9.788  -7.361  -1.774
  381   1HG   GLN  53          1HG       GLN  53  11.388  -5.316  -0.365
  382   2HG   GLN  53          2HG       GLN  53  12.379  -6.367  -1.357
  383   2HE2  GLN  53          2HE2      GLN  53  11.287  -3.505  -1.499
  384   1HE2  GLN  53          1HE2      GLN  53  10.692  -3.338  -3.117
  385    H    GLU  54           H        GLU  54   8.565  -7.383   2.653
  386    HA   GLU  54           HA       GLU  54  10.577  -6.728   4.306
  387   1HB   GLU  54          1HB       GLU  54   9.409  -7.892   5.977
  388   2HB   GLU  54          2HB       GLU  54   8.161  -7.601   4.782
  389   1HG   GLU  54          1HG       GLU  54   8.811  -9.929   3.796
  390   2HG   GLU  54          2HG       GLU  54   9.688 -10.184   5.292
  391    H    ALA  55           H        ALA  55  12.659  -7.401   4.579
  392    HA   ALA  55           HA       ALA  55  13.293 -10.190   4.451
  393   1HB   ALA  55          1HB       ALA  55  13.674 -10.147   2.205
  394   2HB   ALA  55          2HB       ALA  55  15.194  -9.351   2.679
  395   3HB   ALA  55          3HB       ALA  55  13.802  -8.373   2.157
  396    H    GLU  56           H        GLU  56  14.959  -6.986   3.990
  397    HA   GLU  56           HA       GLU  56  17.166  -7.526   5.413
  398   1HB   GLU  56          1HB       GLU  56  15.649  -5.076   4.707
  399   2HB   GLU  56          2HB       GLU  56  16.711  -4.878   6.086
  400   1HG   GLU  56          1HG       GLU  56  18.271  -6.336   4.247
  401   2HG   GLU  56          2HG       GLU  56  17.391  -5.204   3.239
  402    H    CYS  57           H        CYS  57  17.761  -6.357   7.647
  403    HA   CYS  57           HA       CYS  57  17.517  -6.254   9.827
  404   1HB   CYS  57          1HB       CYS  57  14.755  -5.785   8.925
  405   2HB   CYS  57          2HB       CYS  57  14.881  -6.410  10.558
  406    H    THR  58           H        THR  58  18.449  -8.560   9.264
  407    HA   THR  58           HA       THR  58  16.570 -10.678   9.996
  408    HB   THR  58           HB       THR  58  18.597 -12.095   9.250
  409    HG1  THR  58           HG1      THR  58  20.373 -10.771   9.134
  410   1HG2  THR  58          1HG2      THR  58  16.931 -10.302   7.562
  411   2HG2  THR  58          2HG2      THR  58  18.473 -10.766   6.803
  412   3HG2  THR  58          3HG2      THR  58  17.327 -12.022   7.330
  413    H    PHE  59           H        PHE  59  19.995  -9.811  10.841
  414    HA   PHE  59           HA       PHE  59  19.286 -10.532  13.596
  415   1HB   PHE  59          1HB       PHE  59  20.825 -12.070  11.963
  416   2HB   PHE  59          2HB       PHE  59  22.058 -10.901  12.392
  417    HD1  PHE  59           HD1      PHE  59  22.697 -10.627  14.804
  418    HD2  PHE  59           HD2      PHE  59  20.170 -13.770  13.481
  419    HE1  PHE  59           HE1      PHE  59  23.151 -11.887  16.927
  420    HE2  PHE  59           HE2      PHE  59  20.624 -15.029  15.604
  421    HZ   PHE  59           HZ       PHE  59  22.109 -14.073  17.302

  No H/Q in entry =         421
  Start of MODEL   31
    1    H    GLU   1           H        GLU   1   6.004  -5.106  21.425
    2    HA   GLU   1           HA       GLU   1   7.787  -6.354  23.357
    3   1HB   GLU   1          1HB       GLU   1   5.901  -4.711  24.056
    4   2HB   GLU   1          2HB       GLU   1   4.783  -6.001  23.659
    5   1HG   GLU   1          1HG       GLU   1   5.158  -6.932  25.690
    6   2HG   GLU   1          2HG       GLU   1   6.830  -7.206  25.243
    7    H    GLU   2           H        GLU   2   4.557  -7.013  21.800
    8    HA   GLU   2           HA       GLU   2   5.120  -9.824  22.026
    9   1HB   GLU   2          1HB       GLU   2   2.777  -8.223  22.052
   10   2HB   GLU   2          2HB       GLU   2   2.667  -9.173  20.585
   11   1HG   GLU   2          1HG       GLU   2   1.802 -10.766  21.998
   12   2HG   GLU   2          2HG       GLU   2   3.491 -11.128  22.293
   13    H    TYR   3           H        TYR   3   3.783  -7.765  19.335
   14    HA   TYR   3           HA       TYR   3   5.801  -8.299  17.514
   15   1HB   TYR   3          1HB       TYR   3   4.396 -10.606  18.102
   16   2HB   TYR   3          2HB       TYR   3   3.343  -9.952  16.864
   17    HD1  TYR   3           HD1      TYR   3   7.079 -10.161  17.248
   18    HD2  TYR   3           HD2      TYR   3   3.651 -11.030  14.839
   19    HE1  TYR   3           HE1      TYR   3   8.584 -11.136  15.445
   20    HE2  TYR   3           HE2      TYR   3   5.168 -12.002  13.045
   21    HH   TYR   3           HH       TYR   3   7.266 -12.863  12.737
   22    H    VAL   4           H        VAL   4   5.233  -7.570  15.302
   23    HA   VAL   4           HA       VAL   4   2.809  -5.907  15.369
   24    HB   VAL   4           HB       VAL   4   3.969  -4.308  14.026
   25   1HG1  VAL   4          1HG1      VAL   4   5.600  -5.237  16.407
   26   2HG1  VAL   4          2HG1      VAL   4   5.873  -3.695  15.562
   27   3HG1  VAL   4          3HG1      VAL   4   4.319  -4.002  16.374
   28   1HG2  VAL   4          1HG2      VAL   4   5.368  -6.245  12.899
   29   2HG2  VAL   4          2HG2      VAL   4   6.002  -4.583  12.975
   30   3HG2  VAL   4          3HG2      VAL   4   6.566  -5.805  14.140
   31    H    GLY   5           H        GLY   5   3.205  -5.229  12.495
   32   1HA   GLY   5          1HA       GLY   5   1.952  -7.632  11.413
   33   2HA   GLY   5          2HA       GLY   5   3.450  -7.121  10.661
   34    H    LEU   6           H        LEU   6   1.445  -4.617  12.111
   35    HA   LEU   6           HA       LEU   6   0.446  -3.928   9.437
   36   1HB   LEU   6          1HB       LEU   6  -1.039  -2.454  11.195
   37   2HB   LEU   6          2HB       LEU   6  -1.530  -3.948  10.422
   38    HG   LEU   6           HG       LEU   6  -0.512  -5.148  12.456
   39   1HD1  LEU   6          1HD1      LEU   6   0.777  -3.245  13.316
   40   2HD1  LEU   6          2HD1      LEU   6  -0.736  -2.367  13.641
   41   3HD1  LEU   6          3HD1      LEU   6  -0.372  -3.869  14.524
   42   1HD2  LEU   6          1HD2      LEU   6  -2.956  -4.832  11.932
   43   2HD2  LEU   6          2HD2      LEU   6  -2.561  -5.040  13.655
   44   3HD2  LEU   6          3HD2      LEU   6  -2.931  -3.421  13.016
   45    H    SER   7           H        SER   7   0.322  -1.667  12.132
   46    HA   SER   7           HA       SER   7   1.048   0.414  12.158
   47   1HB   SER   7          1HB       SER   7   3.676   0.449  12.324
   48   2HB   SER   7          2HB       SER   7   2.744  -0.396  13.544
   49    HG   SER   7           HG       SER   7   3.608  -1.824  11.212
   50    H    ALA   8           H        ALA   8   4.097  -0.105  10.543
   51    HA   ALA   8           HA       ALA   8   3.049   0.748   7.968
   52   1HB   ALA   8          1HB       ALA   8   4.235   2.766   7.882
   53   2HB   ALA   8          2HB       ALA   8   5.318   2.303   9.216
   54   3HB   ALA   8          3HB       ALA   8   3.629   2.750   9.555
   55    H    ASN   9           H        ASN   9   4.519  -1.569   9.515
   56    HA   ASN   9           HA       ASN   9   7.104  -1.657   8.538
   57   1HB   ASN   9          1HB       ASN   9   5.915  -3.149  10.331
   58   2HB   ASN   9          2HB       ASN   9   5.333  -4.105   8.982
   59   2HD2  ASN   9          2HD2      ASN   9   6.497  -5.871   9.816
   60   1HD2  ASN   9          1HD2      ASN   9   8.203  -6.048   9.573
   61    H    GLN  10           H        GLN  10   3.997  -3.169   7.378
   62    HA   GLN  10           HA       GLN  10   5.122  -4.335   5.123
   63   1HB   GLN  10          1HB       GLN  10   2.730  -4.543   6.371
   64   2HB   GLN  10          2HB       GLN  10   2.246  -3.474   5.069
   65   1HG   GLN  10          1HG       GLN  10   2.023  -5.363   3.815
   66   2HG   GLN  10          2HG       GLN  10   3.772  -5.350   3.705
   67   2HE2  GLN  10          2HE2      GLN  10   1.267  -6.218   6.092
   68   1HE2  GLN  10          1HE2      GLN  10   1.928  -7.750   6.555
   69    H    CYS  11           H        CYS  11   3.877  -1.072   5.808
   70    HA   CYS  11           HA       CYS  11   4.430  -0.382   3.013
   71   1HB   CYS  11          1HB       CYS  11   2.817   1.508   4.592
   72   2HB   CYS  11          2HB       CYS  11   2.649   0.986   2.928
   73    H    ALA  12           H        ALA  12   6.604  -0.650   4.705
   74    HA   ALA  12           HA       ALA  12   7.127   2.032   5.753
   75   1HB   ALA  12          1HB       ALA  12   9.242   0.143   6.247
   76   2HB   ALA  12          2HB       ALA  12   8.143   0.915   7.414
   77   3HB   ALA  12          3HB       ALA  12   7.685  -0.622   6.643
   78    H    VAL  13           H        VAL  13   6.941   1.818   2.938
   79    HA   VAL  13           HA       VAL  13   9.692   1.590   2.017
   80    HB   VAL  13           HB       VAL  13   7.626   2.406   0.110
   81   1HG1  VAL  13          1HG1      VAL  13  10.032   0.801   0.236
   82   2HG1  VAL  13          2HG1      VAL  13   8.720  -0.099  -0.562
   83   3HG1  VAL  13          3HG1      VAL  13   9.207   1.499  -1.178
   84   1HG2  VAL  13          1HG2      VAL  13   7.233  -0.055   1.808
   85   2HG2  VAL  13          2HG2      VAL  13   6.042   1.165   1.296
   86   3HG2  VAL  13          3HG2      VAL  13   6.676  -0.009   0.118
   87    HA   PRO  14           HA       PRO  14  10.276   5.871   1.989
   88   1HB   PRO  14          1HB       PRO  14  12.174   6.160   0.045
   89   2HB   PRO  14          2HB       PRO  14  12.545   5.638   1.676
   90   1HG   PRO  14          1HG       PRO  14  12.420   4.030  -0.802
   91   2HG   PRO  14          2HG       PRO  14  13.185   3.636   0.725
   92   1HD   PRO  14          1HD       PRO  14  10.690   2.616  -0.257
   93   2HD   PRO  14          2HD       PRO  14  11.399   2.314   1.316
   94    H    ALA  15           H        ALA  15  10.269   4.792  -1.383
   95    HA   ALA  15           HA       ALA  15   7.925   5.738  -2.198
   96   1HB   ALA  15          1HB       ALA  15   9.668   7.993  -1.441
   97   2HB   ALA  15          2HB       ALA  15   7.908   7.946  -1.701
   98   3HB   ALA  15          3HB       ALA  15   9.008   8.121  -3.089
   99    H    LYS  16           H        LYS  16  11.385   5.384  -2.650
  100    HA   LYS  16           HA       LYS  16  11.086   5.352  -5.544
  101   1HB   LYS  16          1HB       LYS  16  13.506   5.264  -5.598
  102   2HB   LYS  16          2HB       LYS  16  12.977   6.574  -4.562
  103   1HG   LYS  16          1HG       LYS  16  14.515   5.642  -3.116
  104   2HG   LYS  16          2HG       LYS  16  13.145   4.642  -2.674
  105   1HD   LYS  16          1HD       LYS  16  14.997   3.143  -3.068
  106   2HD   LYS  16          2HD       LYS  16  13.898   2.950  -4.420
  107   1HE   LYS  16          1HE       LYS  16  15.419   3.758  -5.926
  108   2HE   LYS  16          2HE       LYS  16  15.879   5.092  -4.888
  109   1HZ   LYS  16          1HZ       LYS  16  16.736   2.527  -3.956
  110   2HZ   LYS  16          2HZ       LYS  16  17.405   2.975  -5.376
  111   3HZ   LYS  16          3HZ       LYS  16  17.567   3.929  -4.060
  112    H    ASP  17           H        ASP  17  10.364   3.295  -3.076
  113    HA   ASP  17           HA       ASP  17  11.300   0.995  -4.605
  114   1HB   ASP  17          1HB       ASP  17  11.298   1.613  -1.746
  115   2HB   ASP  17          2HB       ASP  17  10.382   0.149  -2.043
  116    H    ARG  18           H        ARG  18   8.734   2.939  -4.437
  117    HA   ARG  18           HA       ARG  18   6.685   1.157  -3.661
  118   1HB   ARG  18          1HB       ARG  18   6.316   3.638  -5.393
  119   2HB   ARG  18          2HB       ARG  18   5.174   2.941  -4.261
  120   1HG   ARG  18          1HG       ARG  18   7.845   4.213  -3.494
  121   2HG   ARG  18          2HG       ARG  18   6.283   4.996  -3.354
  122   1HD   ARG  18          1HD       ARG  18   5.588   2.957  -1.880
  123   2HD   ARG  18          2HD       ARG  18   7.296   2.571  -1.814
  124    HE   ARG  18           HE       ARG  18   7.541   4.282  -0.256
  125   1HH1  ARG  18          1HH1      ARG  18   4.757   5.018  -2.279
  126   2HH1  ARG  18          2HH1      ARG  18   4.348   6.461  -1.412
  127   1HH2  ARG  18          1HH2      ARG  18   7.002   6.186   0.887
  128   2HH2  ARG  18          2HH2      ARG  18   5.634   7.130   0.401
  129    H    VAL  19           H        VAL  19   6.205  -0.634  -4.905
  130    HA   VAL  19           HA       VAL  19   6.827  -0.676  -7.691
  131    HB   VAL  19           HB       VAL  19   5.414  -2.598  -5.836
  132   1HG1  VAL  19          1HG1      VAL  19   5.935  -2.714  -8.782
  133   2HG1  VAL  19          2HG1      VAL  19   6.113  -4.206  -7.829
  134   3HG1  VAL  19          3HG1      VAL  19   4.561  -3.335  -7.836
  135   1HG2  VAL  19          1HG2      VAL  19   8.245  -2.191  -6.710
  136   2HG2  VAL  19          2HG2      VAL  19   7.593  -2.688  -5.130
  137   3HG2  VAL  19          3HG2      VAL  19   7.673  -3.860  -6.468
  138    H    ASP  20           H        ASP  20   4.303   0.665  -5.858
  139    HA   ASP  20           HA       ASP  20   2.362   1.491  -6.357
  140   1HB   ASP  20          1HB       ASP  20   3.256   2.617  -8.255
  141   2HB   ASP  20          2HB       ASP  20   3.485   1.127  -9.148
  142    H    CYS  21           H        CYS  21   0.511   0.292  -5.901
  143    HA   CYS  21           HA       CYS  21   0.266  -2.337  -7.047
  144   1HB   CYS  21          1HB       CYS  21  -0.380  -1.256  -4.603
  145   2HB   CYS  21          2HB       CYS  21  -1.944  -1.334  -5.391
  146    H    GLY  22           H        GLY  22  -0.819   0.948  -7.571
  147   1HA   GLY  22          1HA       GLY  22  -2.173   0.276  -9.968
  148   2HA   GLY  22          2HA       GLY  22  -2.099   1.846  -9.193
  149    H    TYR  23           H        TYR  23  -3.738   2.499  -7.690
  150    HA   TYR  23           HA       TYR  23  -6.157   0.862  -7.901
  151   1HB   TYR  23          1HB       TYR  23  -4.591   1.896  -5.502
  152   2HB   TYR  23          2HB       TYR  23  -6.338   1.894  -5.370
  153    HD1  TYR  23           HD1      TYR  23  -7.548  -0.370  -5.873
  154    HD2  TYR  23           HD2      TYR  23  -3.376  -0.040  -4.985
  155    HE1  TYR  23           HE1      TYR  23  -7.489  -2.823  -5.206
  156    HE2  TYR  23           HE2      TYR  23  -3.330  -2.494  -4.322
  157    HH   TYR  23           HH       TYR  23  -5.945  -4.206  -3.573
  158    HA   PRO  24           HA       PRO  24  -7.937   4.726  -8.705
  159   1HB   PRO  24          1HB       PRO  24 -10.582   4.146  -8.332
  160   2HB   PRO  24          2HB       PRO  24  -9.713   3.755  -9.803
  161   1HG   PRO  24          1HG       PRO  24 -10.566   1.954  -7.619
  162   2HG   PRO  24          2HG       PRO  24 -10.092   1.546  -9.256
  163   1HD   PRO  24          1HD       PRO  24  -8.510   1.238  -6.883
  164   2HD   PRO  24          2HD       PRO  24  -7.996   0.940  -8.532
  165    H    HIS  25           H        HIS  25 -10.101   3.549  -6.193
  166    HA   HIS  25           HA       HIS  25  -9.725   6.086  -4.864
  167   1HB   HIS  25          1HB       HIS  25 -11.667   5.564  -3.632
  168   2HB   HIS  25          2HB       HIS  25 -11.980   5.048  -5.278
  169    HD1  HIS  25           HD1      HIS  25 -13.495   3.876  -2.776
  170    HD2  HIS  25           HD2      HIS  25 -10.205   2.090  -4.669
  171    HE1  HIS  25           HE1      HIS  25 -13.614   1.388  -2.220
  172    HE2  HIS  25           HE2      HIS  25 -11.598   0.336  -3.455
  173    H    VAL  26           H        VAL  26  -7.526   5.864  -4.143
  174    HA   VAL  26           HA       VAL  26  -7.034   3.681  -2.276
  175    HB   VAL  26           HB       VAL  26  -4.703   4.537  -2.370
  176   1HG1  VAL  26          1HG1      VAL  26  -6.027   3.835  -5.010
  177   2HG1  VAL  26          2HG1      VAL  26  -4.272   3.797  -4.713
  178   3HG1  VAL  26          3HG1      VAL  26  -5.351   2.706  -3.811
  179   1HG2  VAL  26          1HG2      VAL  26  -5.802   6.875  -3.286
  180   2HG2  VAL  26          2HG2      VAL  26  -4.084   6.432  -3.422
  181   3HG2  VAL  26          3HG2      VAL  26  -5.187   6.151  -4.791
  182    H    THR  27           H        THR  27  -6.645   3.993  -0.073
  183    HA   THR  27           HA       THR  27  -6.527   6.687   0.964
  184    HB   THR  27           HB       THR  27  -8.622   6.682   2.058
  185    HG1  THR  27           HG1      THR  27  -8.197   3.828   1.686
  186   1HG2  THR  27          1HG2      THR  27  -9.104   4.910  -0.396
  187   2HG2  THR  27          2HG2      THR  27 -10.371   5.771   0.510
  188   3HG2  THR  27          3HG2      THR  27  -9.137   6.690  -0.385
  189    HA   PRO  28           HA       PRO  28  -4.414   4.744   4.159
  190   1HB   PRO  28          1HB       PRO  28  -5.167   6.038   6.445
  191   2HB   PRO  28          2HB       PRO  28  -4.027   6.708   5.295
  192   1HG   PRO  28          1HG       PRO  28  -6.854   7.446   5.747
  193   2HG   PRO  28          2HG       PRO  28  -5.599   8.357   4.931
  194   1HD   PRO  28          1HD       PRO  28  -7.731   6.888   3.696
  195   2HD   PRO  28          2HD       PRO  28  -6.410   7.703   2.882
  196    H    LYS  29           H        LYS  29  -6.694   3.298   3.333
  197    HA   LYS  29           HA       LYS  29  -6.759   1.412   5.366
  198   1HB   LYS  29          1HB       LYS  29  -8.131   3.406   6.375
  199   2HB   LYS  29          2HB       LYS  29  -9.402   2.845   5.308
  200   1HG   LYS  29          1HG       LYS  29  -7.998   0.745   6.932
  201   2HG   LYS  29          2HG       LYS  29  -9.028   1.854   7.815
  202   1HD   LYS  29          1HD       LYS  29 -10.499   1.105   5.482
  203   2HD   LYS  29          2HD       LYS  29  -9.790  -0.374   6.100
  204   1HE   LYS  29          1HE       LYS  29 -10.683   0.838   8.438
  205   2HE   LYS  29          2HE       LYS  29 -11.903   1.348   7.288
  206   1HZ   LYS  29          1HZ       LYS  29 -11.051  -1.437   7.684
  207   2HZ   LYS  29          2HZ       LYS  29 -12.410  -0.776   8.303
  208   3HZ   LYS  29          3HZ       LYS  29 -12.242  -0.933   6.686
  209    H    GLU  30           H        GLU  30  -8.951   2.976   2.925
  210    HA   GLU  30           HA       GLU  30 -10.036   0.602   2.044
  211   1HB   GLU  30          1HB       GLU  30 -10.945   2.881   1.573
  212   2HB   GLU  30          2HB       GLU  30  -9.608   3.189   0.484
  213   1HG   GLU  30          1HG       GLU  30 -10.707   2.153  -1.203
  214   2HG   GLU  30          2HG       GLU  30 -10.770   0.666  -0.278
  215    H    CYS  31           H        CYS  31  -7.147   2.458   0.920
  216    HA   CYS  31           HA       CYS  31  -6.605   0.834  -1.280
  217   1HB   CYS  31          1HB       CYS  31  -5.492   2.818  -1.395
  218   2HB   CYS  31          2HB       CYS  31  -5.119   2.853   0.317
  219    H    ASN  32           H        ASN  32  -5.675   0.734   2.203
  220    HA   ASN  32           HA       ASN  32  -3.986  -1.516   1.791
  221   1HB   ASN  32          1HB       ASN  32  -3.247  -0.996   3.900
  222   2HB   ASN  32          2HB       ASN  32  -4.256   0.431   3.779
  223   2HD2  ASN  32          2HD2      ASN  32  -3.689  -2.512   5.349
  224   1HD2  ASN  32          1HD2      ASN  32  -5.087  -2.576   6.371
  225    H    ASN  33           H        ASN  33  -7.305  -1.071   1.748
  226    HA   ASN  33           HA       ASN  33  -7.884  -3.495   3.224
  227   1HB   ASN  33          1HB       ASN  33  -9.300  -1.462   3.639
  228   2HB   ASN  33          2HB       ASN  33  -9.750  -1.427   1.945
  229   2HD2  ASN  33          2HD2      ASN  33 -10.340  -2.740   5.027
  230   1HD2  ASN  33          1HD2      ASN  33 -11.606  -3.853   4.629
  231    H    ARG  34           H        ARG  34  -7.929  -1.943  -0.010
  232    HA   ARG  34           HA       ARG  34  -9.450  -3.836  -1.315
  233   1HB   ARG  34          1HB       ARG  34  -8.311  -1.459  -2.020
  234   2HB   ARG  34          2HB       ARG  34  -7.171  -2.541  -2.795
  235   1HG   ARG  34          1HG       ARG  34  -9.075  -1.872  -4.299
  236   2HG   ARG  34          2HG       ARG  34  -8.940  -3.607  -4.093
  237   1HD   ARG  34          1HD       ARG  34 -10.850  -3.735  -2.704
  238   2HD   ARG  34          2HD       ARG  34 -10.735  -2.057  -2.211
  239    HE   ARG  34           HE       ARG  34 -11.812  -1.385  -4.218
  240   1HH1  ARG  34          1HH1      ARG  34 -11.134  -4.838  -4.247
  241   2HH1  ARG  34          2HH1      ARG  34 -12.154  -5.157  -5.610
  242   1HH2  ARG  34          1HH2      ARG  34 -13.158  -1.805  -6.017
  243   2HH2  ARG  34          2HH2      ARG  34 -13.313  -3.420  -6.624
  244    H    GLY  35           H        GLY  35  -6.128  -3.864  -0.151
  245   1HA   GLY  35          1HA       GLY  35  -5.650  -6.406  -1.591
  246   2HA   GLY  35          2HA       GLY  35  -5.236  -6.146   0.092
  247    H    CYS  36           H        CYS  36  -3.752  -4.154   0.534
  248    HA   CYS  36           HA       CYS  36  -1.355  -4.533  -0.670
  249   1HB   CYS  36          1HB       CYS  36  -2.999  -3.216  -2.509
  250   2HB   CYS  36          2HB       CYS  36  -1.987  -1.951  -1.840
  251    H    CYS  37           H        CYS  37  -0.487  -1.683  -0.695
  252    HA   CYS  37           HA       CYS  37  -1.103  -1.008   2.089
  253   1HB   CYS  37          1HB       CYS  37   1.502  -1.324   0.710
  254   2HB   CYS  37          2HB       CYS  37   1.354   0.067   1.766
  255    H    PHE  38           H        PHE  38  -1.068   1.344   2.538
  256    HA   PHE  38           HA       PHE  38  -1.471   2.903   0.082
  257   1HB   PHE  38          1HB       PHE  38  -3.533   2.590   1.428
  258   2HB   PHE  38          2HB       PHE  38  -2.679   2.984   2.907
  259    HD1  PHE  38           HD1      PHE  38  -4.079   4.374  -0.199
  260    HD2  PHE  38           HD2      PHE  38  -2.313   5.261   3.556
  261    HE1  PHE  38           HE1      PHE  38  -4.754   6.778  -0.450
  262    HE2  PHE  38           HE2      PHE  38  -2.988   7.666   3.305
  263    HZ   PHE  38           HZ       PHE  38  -4.201   8.396   1.305
  264    H    ASP  39           H        ASP  39  -1.248   5.408   0.650
  265    HA   ASP  39           HA       ASP  39   0.412   6.172   2.705
  266   1HB   ASP  39          1HB       ASP  39   2.175   4.869   1.600
  267   2HB   ASP  39          2HB       ASP  39   1.824   5.620   0.057
  268    H    SER  40           H        SER  40   0.553   8.501   2.674
  269    HA   SER  40           HA       SER  40  -0.277   9.752   0.184
  270   1HB   SER  40          1HB       SER  40  -1.777  11.274   1.419
  271   2HB   SER  40          2HB       SER  40  -2.271   9.607   1.635
  272    HG   SER  40           HG       SER  40  -1.931   9.770   3.742
  273    H    ARG  41           H        ARG  41   2.279   9.309   1.932
  274    HA   ARG  41           HA       ARG  41   2.955  11.694   3.112
  275   1HB   ARG  41          1HB       ARG  41   4.148   9.255   2.885
  276   2HB   ARG  41          2HB       ARG  41   5.107  10.126   1.705
  277   1HG   ARG  41          1HG       ARG  41   5.067  11.941   3.792
  278   2HG   ARG  41          2HG       ARG  41   5.023  10.424   4.668
  279   1HD   ARG  41          1HD       ARG  41   7.170   9.854   4.061
  280   2HD   ARG  41          2HD       ARG  41   6.980  10.457   2.427
  281    HE   ARG  41           HE       ARG  41   6.995  12.767   3.970
  282   1HH1  ARG  41          1HH1      ARG  41   9.176  10.027   3.621
  283   2HH1  ARG  41          2HH1      ARG  41  10.594  10.943   4.007
  284   1HH2  ARG  41          1HH2      ARG  41   8.866  13.976   4.479
  285   2HH2  ARG  41          2HH2      ARG  41  10.417  13.205   4.498
  286    H    ILE  42           H        ILE  42   3.311  10.513  -0.278
  287    HA   ILE  42           HA       ILE  42   3.545  13.246  -1.166
  288    HB   ILE  42           HB       ILE  42   5.579  12.185  -2.623
  289   1HG1  ILE  42          1HG1      ILE  42   7.159  11.146  -1.033
  290   2HG1  ILE  42          2HG1      ILE  42   5.909  11.115   0.195
  291   1HG2  ILE  42          1HG2      ILE  42   5.244  14.125  -0.473
  292   2HG2  ILE  42          2HG2      ILE  42   6.880  13.426  -0.515
  293   3HG2  ILE  42          3HG2      ILE  42   6.212  14.215  -1.964
  294   1HD1  ILE  42          1HD1      ILE  42   5.174   9.912  -2.447
  295   2HD1  ILE  42          2HD1      ILE  42   6.378   9.030  -1.477
  296   3HD1  ILE  42          3HD1      ILE  42   4.768   9.373  -0.800
  297    HA   PRO  43           HA       PRO  43   1.146  11.340  -4.230
  298   1HB   PRO  43          1HB       PRO  43   0.775  13.496  -5.868
  299   2HB   PRO  43          2HB       PRO  43  -0.189  13.204  -4.434
  300   1HG   PRO  43          1HG       PRO  43   1.975  15.176  -4.841
  301   2HG   PRO  43          2HG       PRO  43   0.735  15.147  -3.603
  302   1HD   PRO  43          1HD       PRO  43   3.490  14.412  -3.291
  303   2HD   PRO  43          2HD       PRO  43   2.225  14.273  -2.086
  304    H    GLY  44           H        GLY  44   4.017  13.124  -5.063
  305   1HA   GLY  44          1HA       GLY  44   5.671  12.561  -6.495
  306   2HA   GLY  44          2HA       GLY  44   4.379  12.533  -7.679
  307    H    VAL  45           H        VAL  45   4.432  10.268  -4.924
  308    HA   VAL  45           HA       VAL  45   5.324   8.153  -6.749
  309    HB   VAL  45           HB       VAL  45   6.290   7.110  -4.989
  310   1HG1  VAL  45          1HG1      VAL  45   6.197  10.024  -4.167
  311   2HG1  VAL  45          2HG1      VAL  45   7.211   8.816  -3.342
  312   3HG1  VAL  45          3HG1      VAL  45   7.474   9.169  -5.066
  313   1HG2  VAL  45          1HG2      VAL  45   4.046   8.250  -3.335
  314   2HG2  VAL  45          2HG2      VAL  45   4.509   6.552  -3.599
  315   3HG2  VAL  45          3HG2      VAL  45   5.502   7.592  -2.551
  316    HA   PRO  46           HA       PRO  46   1.470   6.207  -6.480
  317   1HB   PRO  46          1HB       PRO  46   2.015   3.548  -6.163
  318   2HB   PRO  46          2HB       PRO  46   2.148   4.377  -7.701
  319   1HG   PRO  46          1HG       PRO  46   4.302   3.487  -5.883
  320   2HG   PRO  46          2HG       PRO  46   4.405   3.919  -7.578
  321   1HD   PRO  46          1HD       PRO  46   5.220   5.525  -5.345
  322   2HD   PRO  46          2HD       PRO  46   5.214   6.000  -7.032
  323    H    TRP  47           H        TRP  47   0.622   7.302  -4.673
  324    HA   TRP  47           HA       TRP  47   1.003   6.932  -2.115
  325   1HB   TRP  47          1HB       TRP  47  -1.513   7.207  -3.687
  326   2HB   TRP  47          2HB       TRP  47  -1.655   6.847  -1.978
  327    HD1  TRP  47           HD1      TRP  47   1.203   9.143  -3.146
  328    HE1  TRP  47           HE1      TRP  47   0.861  11.616  -2.290
  329    HE3  TRP  47           HE3      TRP  47  -3.491   8.422  -1.329
  330    HZ2  TRP  47           HZ2      TRP  47  -1.287  12.962  -0.979
  331    HZ3  TRP  47           HZ3      TRP  47  -4.640  10.367  -0.276
  332    HH2  TRP  47           HH2      TRP  47  -3.614  12.577  -0.086
  333    H    CYS  48           H        CYS  48  -1.076   4.671  -4.074
  334    HA   CYS  48           HA       CYS  48  -0.884   2.740  -1.925
  335   1HB   CYS  48          1HB       CYS  48  -3.022   3.348  -3.239
  336   2HB   CYS  48          2HB       CYS  48  -2.357   2.356  -4.522
  337    H    PHE  49           H        PHE  49   0.920   1.441  -1.929
  338    HA   PHE  49           HA       PHE  49   1.811   0.443  -4.534
  339   1HB   PHE  49          1HB       PHE  49   4.166   0.626  -3.405
  340   2HB   PHE  49          2HB       PHE  49   3.433   2.135  -3.913
  341    HD1  PHE  49           HD1      PHE  49   3.686  -0.078  -0.921
  342    HD2  PHE  49           HD2      PHE  49   3.284   3.880  -2.398
  343    HE1  PHE  49           HE1      PHE  49   3.907   0.816   1.414
  344    HE2  PHE  49           HE2      PHE  49   3.504   4.774  -0.062
  345    HZ   PHE  49           HZ       PHE  49   3.814   3.231   1.816
  346    H    LYS  50           H        LYS  50   3.262  -1.552  -4.269
  347    HA   LYS  50           HA       LYS  50   1.892  -3.439  -2.720
  348   1HB   LYS  50          1HB       LYS  50   4.637  -3.682  -3.985
  349   2HB   LYS  50          2HB       LYS  50   3.583  -4.997  -3.506
  350   1HG   LYS  50          1HG       LYS  50   1.817  -3.892  -5.102
  351   2HG   LYS  50          2HG       LYS  50   3.172  -2.990  -5.752
  352   1HD   LYS  50          1HD       LYS  50   3.145  -4.870  -7.158
  353   2HD   LYS  50          2HD       LYS  50   4.341  -5.343  -5.968
  354   1HE   LYS  50          1HE       LYS  50   2.867  -6.840  -4.876
  355   2HE   LYS  50          2HE       LYS  50   1.433  -6.030  -5.474
  356   1HZ   LYS  50          1HZ       LYS  50   2.734  -6.833  -7.709
  357   2HZ   LYS  50          2HZ       LYS  50   2.945  -8.086  -6.684
  358   3HZ   LYS  50          3HZ       LYS  50   1.438  -7.567  -7.038
  359    HA   PRO  51           HA       PRO  51   3.963  -3.307   1.063
  360   1HB   PRO  51          1HB       PRO  51   4.037  -5.921   1.857
  361   2HB   PRO  51          2HB       PRO  51   2.604  -4.920   1.987
  362   1HG   PRO  51          1HG       PRO  51   3.194  -7.068   0.044
  363   2HG   PRO  51          2HG       PRO  51   1.646  -6.361   0.462
  364   1HD   PRO  51          1HD       PRO  51   3.188  -5.842  -1.901
  365   2HD   PRO  51          2HD       PRO  51   1.698  -5.051  -1.426
  366    H    LEU  52           H        LEU  52   5.966  -2.774   1.653
  367    HA   LEU  52           HA       LEU  52   8.124  -3.228   0.154
  368   1HB   LEU  52          1HB       LEU  52   8.440  -1.752   1.867
  369   2HB   LEU  52          2HB       LEU  52   7.714  -2.799   3.070
  370    HG   LEU  52           HG       LEU  52  10.402  -3.389   1.817
  371   1HD1  LEU  52          1HD1      LEU  52   9.759  -1.703   4.242
  372   2HD1  LEU  52          2HD1      LEU  52  11.350  -2.451   3.967
  373   3HD1  LEU  52          3HD1      LEU  52  10.714  -1.261   2.807
  374   1HD2  LEU  52          1HD2      LEU  52   8.701  -4.889   3.480
  375   2HD2  LEU  52          2HD2      LEU  52  10.393  -5.235   3.047
  376   3HD2  LEU  52          3HD2      LEU  52  10.023  -4.311   4.523
  377    H    GLN  53           H        GLN  53   9.714  -4.799  -0.172
  378    HA   GLN  53           HA       GLN  53   8.856  -7.420   0.086
  379   1HB   GLN  53          1HB       GLN  53  11.272  -5.998  -0.878
  380   2HB   GLN  53          2HB       GLN  53  11.597  -7.619  -0.297
  381   1HG   GLN  53          1HG       GLN  53  10.935  -8.295  -2.375
  382   2HG   GLN  53          2HG       GLN  53   9.306  -8.051  -1.778
  383   2HE2  GLN  53          2HE2      GLN  53   8.807  -5.510  -1.709
  384   1HE2  GLN  53          1HE2      GLN  53   9.012  -4.710  -3.232
  385    H    GLU  54           H        GLU  54   8.292  -7.636   2.376
  386    HA   GLU  54           HA       GLU  54  10.018  -7.162   4.436
  387   1HB   GLU  54          1HB       GLU  54   8.580  -8.624   5.761
  388   2HB   GLU  54          2HB       GLU  54   7.588  -7.694   4.656
  389   1HG   GLU  54          1HG       GLU  54   8.167  -9.931   3.120
  390   2HG   GLU  54          2HG       GLU  54   8.101 -10.623   4.729
  391    H    ALA  55           H        ALA  55  12.134  -7.856   4.438
  392    HA   ALA  55           HA       ALA  55  12.566 -10.702   4.572
  393   1HB   ALA  55          1HB       ALA  55  13.017 -10.837   2.348
  394   2HB   ALA  55          2HB       ALA  55  14.559 -10.071   2.799
  395   3HB   ALA  55          3HB       ALA  55  13.218  -9.076   2.181
  396    H    GLU  56           H        GLU  56  14.159  -7.456   4.202
  397    HA   GLU  56           HA       GLU  56  16.128  -8.299   6.128
  398   1HB   GLU  56          1HB       GLU  56  16.271  -6.709   3.878
  399   2HB   GLU  56          2HB       GLU  56  16.175  -5.494   5.137
  400   1HG   GLU  56          1HG       GLU  56  18.342  -5.853   5.690
  401   2HG   GLU  56          2HG       GLU  56  18.000  -7.536   6.040
  402    H    CYS  57           H        CYS  57  16.773  -6.103   7.595
  403    HA   CYS  57           HA       CYS  57  16.222  -4.890   9.338
  404   1HB   CYS  57          1HB       CYS  57  14.155  -4.298   7.444
  405   2HB   CYS  57          2HB       CYS  57  13.452  -4.330   9.049
  406    H    THR  58           H        THR  58  15.563  -5.375  11.478
  407    HA   THR  58           HA       THR  58  13.607  -7.550  11.762
  408    HB   THR  58           HB       THR  58  16.436  -7.334  12.897
  409    HG1  THR  58           HG1      THR  58  15.820  -8.372  10.759
  410   1HG2  THR  58          1HG2      THR  58  14.427  -8.148  14.516
  411   2HG2  THR  58          2HG2      THR  58  14.585  -9.629  13.541
  412   3HG2  THR  58          3HG2      THR  58  15.980  -9.017  14.461
  413    H    PHE  59           H        PHE  59  15.656  -5.372  13.822
  414    HA   PHE  59           HA       PHE  59  14.118  -5.157  15.968
  415   1HB   PHE  59          1HB       PHE  59  15.867  -3.355  14.333
  416   2HB   PHE  59          2HB       PHE  59  14.800  -2.481  15.414
  417    HD1  PHE  59           HD1      PHE  59  14.980  -2.802  17.859
  418    HD2  PHE  59           HD2      PHE  59  17.717  -4.627  15.178
  419    HE1  PHE  59           HE1      PHE  59  16.567  -3.217  19.760
  420    HE2  PHE  59           HE2      PHE  59  19.303  -5.041  17.078
  421    HZ   PHE  59           HZ       PHE  59  18.709  -4.332  19.347

  No H/Q in entry =         421
  Start of MODEL   32
    1    H    GLU   1           H        GLU   1   7.988 -13.152  21.791
    2    HA   GLU   1           HA       GLU   1   6.396 -13.478  20.173
    3   1HB   GLU   1          1HB       GLU   1   6.877 -10.967  21.115
    4   2HB   GLU   1          2HB       GLU   1   7.020 -10.656  19.397
    5   1HG   GLU   1          1HG       GLU   1   4.777 -10.919  19.041
    6   2HG   GLU   1          2HG       GLU   1   4.697 -12.365  20.028
    7    H    GLU   2           H        GLU   2   5.674 -12.871  17.804
    8    HA   GLU   2           HA       GLU   2   7.896 -13.659  16.132
    9   1HB   GLU   2          1HB       GLU   2   5.473 -14.738  16.228
   10   2HB   GLU   2          2HB       GLU   2   5.043 -13.416  15.161
   11   1HG   GLU   2          1HG       GLU   2   6.877 -14.092  13.591
   12   2HG   GLU   2          2HG       GLU   2   7.294 -15.420  14.656
   13    H    TYR   3           H        TYR   3   8.776 -12.359  14.528
   14    HA   TYR   3           HA       TYR   3   8.403  -9.606  14.674
   15   1HB   TYR   3          1HB       TYR   3  10.446 -10.548  13.762
   16   2HB   TYR   3          2HB       TYR   3   9.567 -11.658  12.729
   17    HD1  TYR   3           HD1      TYR   3   9.397  -7.927  13.149
   18    HD2  TYR   3           HD2      TYR   3  10.087 -11.224  10.511
   19    HE1  TYR   3           HE1      TYR   3   9.652  -6.320  11.196
   20    HE2  TYR   3           HE2      TYR   3  10.340  -9.605   8.566
   21    HH   TYR   3           HH       TYR   3   9.581  -7.345   7.998
   22    H    VAL   4           H        VAL   4   6.280  -8.872  14.408
   23    HA   VAL   4           HA       VAL   4   5.282  -9.134  11.672
   24    HB   VAL   4           HB       VAL   4   2.957  -9.213  12.819
   25   1HG1  VAL   4          1HG1      VAL   4   4.862 -11.553  12.571
   26   2HG1  VAL   4          2HG1      VAL   4   3.135 -11.757  12.952
   27   3HG1  VAL   4          3HG1      VAL   4   3.624 -11.002  11.417
   28   1HG2  VAL   4          1HG2      VAL   4   4.471  -9.147  15.123
   29   2HG2  VAL   4          2HG2      VAL   4   2.778  -9.682  15.009
   30   3HG2  VAL   4          3HG2      VAL   4   4.094 -10.879  14.956
   31    H    GLY   5           H        GLY   5   4.008  -7.312  10.966
   32   1HA   GLY   5          1HA       GLY   5   4.916  -4.839  11.927
   33   2HA   GLY   5          2HA       GLY   5   3.334  -5.144  12.618
   34    H    LEU   6           H        LEU   6   1.458  -5.331  11.237
   35    HA   LEU   6           HA       LEU   6   1.894  -4.849   8.407
   36   1HB   LEU   6          1HB       LEU   6  -0.609  -5.154   8.337
   37   2HB   LEU   6          2HB       LEU   6   0.359  -6.549   8.773
   38    HG   LEU   6           HG       LEU   6  -1.821  -6.076  10.071
   39   1HD1  LEU   6          1HD1      LEU   6   0.734  -7.166  10.886
   40   2HD1  LEU   6          2HD1      LEU   6  -0.165  -6.527  12.283
   41   3HD1  LEU   6          3HD1      LEU   6  -0.915  -7.745  11.223
   42   1HD2  LEU   6          1HD2      LEU   6  -1.148  -3.637  10.443
   43   2HD2  LEU   6          2HD2      LEU   6  -1.818  -4.527  11.832
   44   3HD2  LEU   6          3HD2      LEU   6  -0.063  -4.254  11.711
   45    H    SER   7           H        SER   7   0.833  -3.074   7.274
   46    HA   SER   7           HA       SER   7   0.256  -1.001   6.991
   47   1HB   SER   7          1HB       SER   7  -1.338  -0.001   8.379
   48   2HB   SER   7          2HB       SER   7  -1.524  -1.693   8.795
   49    HG   SER   7           HG       SER   7  -0.902  -1.269  10.797
   50    H    ALA   8           H        ALA   8   2.924  -1.397   7.371
   51    HA   ALA   8           HA       ALA   8   3.965   1.028   7.945
   52   1HB   ALA   8          1HB       ALA   8   3.431  -0.553  10.415
   53   2HB   ALA   8          2HB       ALA   8   5.034   0.212  10.302
   54   3HB   ALA   8          3HB       ALA   8   3.564   1.208  10.189
   55    H    ASN   9           H        ASN   9   5.265  -1.852   9.640
   56    HA   ASN   9           HA       ASN   9   7.687  -1.791   8.521
   57   1HB   ASN   9          1HB       ASN   9   6.231  -3.583  10.143
   58   2HB   ASN   9          2HB       ASN   9   6.710  -4.576   8.780
   59   2HD2  ASN   9          2HD2      ASN   9   8.978  -4.544   8.136
   60   1HD2  ASN   9          1HD2      ASN   9  10.212  -4.388   9.341
   61    H    GLN  10           H        GLN  10   4.629  -2.813   7.084
   62    HA   GLN  10           HA       GLN  10   5.998  -4.130   4.904
   63   1HB   GLN  10          1HB       GLN  10   3.005  -3.798   4.994
   64   2HB   GLN  10          2HB       GLN  10   3.952  -5.135   4.373
   65   1HG   GLN  10          1HG       GLN  10   3.995  -4.483   7.339
   66   2HG   GLN  10          2HG       GLN  10   2.676  -5.417   6.662
   67   2HE2  GLN  10          2HE2      GLN  10   6.178  -5.235   7.026
   68   1HE2  GLN  10          1HE2      GLN  10   6.516  -6.930   6.908
   69    H    CYS  11           H        CYS  11   4.266  -1.154   5.756
   70    HA   CYS  11           HA       CYS  11   4.510  -0.304   2.963
   71   1HB   CYS  11          1HB       CYS  11   2.800   1.262   4.800
   72   2HB   CYS  11          2HB       CYS  11   2.587   0.876   3.104
   73    H    ALA  12           H        ALA  12   6.807  -0.362   4.603
   74    HA   ALA  12           HA       ALA  12   7.094   2.445   5.424
   75   1HB   ALA  12          1HB       ALA  12   9.237   1.220   6.521
   76   2HB   ALA  12          2HB       ALA  12   7.658   1.314   7.337
   77   3HB   ALA  12          3HB       ALA  12   8.119  -0.163   6.459
   78    H    VAL  13           H        VAL  13   7.099   1.989   2.692
   79    HA   VAL  13           HA       VAL  13   9.837   1.552   1.873
   80    HB   VAL  13           HB       VAL  13   7.836   2.535  -0.056
   81   1HG1  VAL  13          1HG1      VAL  13  10.110   0.661   0.080
   82   2HG1  VAL  13          2HG1      VAL  13   8.762   0.115  -0.946
   83   3HG1  VAL  13          3HG1      VAL  13   9.541   1.684  -1.260
   84   1HG2  VAL  13          1HG2      VAL  13   7.355   0.089   1.630
   85   2HG2  VAL  13          2HG2      VAL  13   6.204   1.326   1.068
   86   3HG2  VAL  13          3HG2      VAL  13   6.840   0.118  -0.074
   87    HA   PRO  14           HA       PRO  14  10.865   5.750   1.839
   88   1HB   PRO  14          1HB       PRO  14  12.955   5.760   0.078
   89   2HB   PRO  14          2HB       PRO  14  13.115   5.271   1.753
   90   1HG   PRO  14          1HG       PRO  14  13.048   3.582  -0.673
   91   2HG   PRO  14          2HG       PRO  14  13.623   3.176   0.932
   92   1HD   PRO  14          1HD       PRO  14  11.135   2.379  -0.253
   93   2HD   PRO  14          2HD       PRO  14  11.659   2.071   1.391
   94    H    ALA  15           H        ALA  15   9.241   4.316  -0.568
   95    HA   ALA  15           HA       ALA  15   7.795   5.344  -1.969
   96   1HB   ALA  15          1HB       ALA  15   9.376   7.885  -2.144
   97   2HB   ALA  15          2HB       ALA  15   7.613   7.636  -2.122
   98   3HB   ALA  15          3HB       ALA  15   8.546   7.527  -0.610
   99    H    LYS  16           H        LYS  16  11.261   5.157  -2.154
  100    HA   LYS  16           HA       LYS  16  11.222   5.409  -5.056
  101   1HB   LYS  16          1HB       LYS  16  13.675   5.310  -4.855
  102   2HB   LYS  16          2HB       LYS  16  12.978   6.608  -3.907
  103   1HG   LYS  16          1HG       LYS  16  14.659   5.481  -2.546
  104   2HG   LYS  16          2HG       LYS  16  13.082   5.143  -1.862
  105   1HD   LYS  16          1HD       LYS  16  13.090   2.904  -2.572
  106   2HD   LYS  16          2HD       LYS  16  14.171   3.218  -3.914
  107   1HE   LYS  16          1HE       LYS  16  16.071   3.540  -2.344
  108   2HE   LYS  16          2HE       LYS  16  15.002   3.315  -0.974
  109   1HZ   LYS  16          1HZ       LYS  16  14.545   1.139  -2.487
  110   2HZ   LYS  16          2HZ       LYS  16  16.150   1.365  -2.686
  111   3HZ   LYS  16          3HZ       LYS  16  15.530   1.192  -1.185
  112    H    ASP  17           H        ASP  17  10.136   3.139  -3.084
  113    HA   ASP  17           HA       ASP  17  11.261   1.032  -4.743
  114   1HB   ASP  17          1HB       ASP  17  11.475   1.329  -1.868
  115   2HB   ASP  17          2HB       ASP  17  10.463  -0.062  -2.202
  116    H    ARG  18           H        ARG  18   8.689   2.825  -4.474
  117    HA   ARG  18           HA       ARG  18   6.682   1.026  -3.647
  118   1HB   ARG  18          1HB       ARG  18   6.306   3.497  -5.400
  119   2HB   ARG  18          2HB       ARG  18   5.125   2.771  -4.328
  120   1HG   ARG  18          1HG       ARG  18   7.750   4.042  -3.413
  121   2HG   ARG  18          2HG       ARG  18   6.189   4.837  -3.363
  122   1HD   ARG  18          1HD       ARG  18   5.419   2.735  -1.966
  123   2HD   ARG  18          2HD       ARG  18   7.133   2.444  -1.745
  124    HE   ARG  18           HE       ARG  18   7.136   4.165  -0.179
  125   1HH1  ARG  18          1HH1      ARG  18   4.540   4.769  -2.477
  126   2HH1  ARG  18          2HH1      ARG  18   3.986   6.198  -1.670
  127   1HH2  ARG  18          1HH2      ARG  18   6.405   6.050   0.885
  128   2HH2  ARG  18          2HH2      ARG  18   5.054   6.932   0.255
  129    H    VAL  19           H        VAL  19   5.892  -0.677  -4.845
  130    HA   VAL  19           HA       VAL  19   6.592  -0.842  -7.634
  131    HB   VAL  19           HB       VAL  19   4.866  -2.779  -6.122
  132   1HG1  VAL  19          1HG1      VAL  19   6.699  -2.855  -8.498
  133   2HG1  VAL  19          2HG1      VAL  19   6.453  -4.334  -7.539
  134   3HG1  VAL  19          3HG1      VAL  19   5.062  -3.523  -8.298
  135   1HG2  VAL  19          1HG2      VAL  19   7.767  -2.175  -5.672
  136   2HG2  VAL  19          2HG2      VAL  19   6.508  -2.668  -4.514
  137   3HG2  VAL  19          3HG2      VAL  19   7.225  -3.870  -5.614
  138    H    ASP  20           H        ASP  20   4.135   0.630  -5.825
  139    HA   ASP  20           HA       ASP  20   2.192   1.461  -6.306
  140   1HB   ASP  20          1HB       ASP  20   3.124   2.576  -8.197
  141   2HB   ASP  20          2HB       ASP  20   3.307   1.086  -9.101
  142    H    CYS  21           H        CYS  21   0.455   0.147  -5.711
  143    HA   CYS  21           HA       CYS  21   0.132  -2.426  -6.887
  144   1HB   CYS  21          1HB       CYS  21  -0.507  -1.363  -4.475
  145   2HB   CYS  21          2HB       CYS  21  -2.066  -1.280  -5.270
  146    H    GLY  22           H        GLY  22  -0.852   0.847  -7.566
  147   1HA   GLY  22          1HA       GLY  22  -2.178   0.129  -9.956
  148   2HA   GLY  22          2HA       GLY  22  -2.095   1.720  -9.226
  149    H    TYR  23           H        TYR  23  -3.762   2.449  -7.794
  150    HA   TYR  23           HA       TYR  23  -6.213   0.876  -8.046
  151   1HB   TYR  23          1HB       TYR  23  -4.664   1.808  -5.599
  152   2HB   TYR  23          2HB       TYR  23  -6.412   1.896  -5.503
  153    HD1  TYR  23           HD1      TYR  23  -7.658  -0.356  -6.289
  154    HD2  TYR  23           HD2      TYR  23  -3.633  -0.134  -4.856
  155    HE1  TYR  23           HE1      TYR  23  -7.741  -2.816  -5.653
  156    HE2  TYR  23           HE2      TYR  23  -3.730  -2.596  -4.225
  157    HH   TYR  23           HH       TYR  23  -5.746  -4.210  -3.584
  158    HA   PRO  24           HA       PRO  24  -7.846   4.807  -8.838
  159   1HB   PRO  24          1HB       PRO  24 -10.516   4.309  -8.539
  160   2HB   PRO  24          2HB       PRO  24  -9.624   3.910  -9.993
  161   1HG   PRO  24          1HG       PRO  24 -10.590   2.108  -7.858
  162   2HG   PRO  24          2HG       PRO  24 -10.088   1.708  -9.488
  163   1HD   PRO  24          1HD       PRO  24  -8.577   1.315  -7.082
  164   2HD   PRO  24          2HD       PRO  24  -8.031   1.023  -8.722
  165    H    HIS  25           H        HIS  25 -10.090   3.651  -6.385
  166    HA   HIS  25           HA       HIS  25  -9.701   6.166  -5.023
  167   1HB   HIS  25          1HB       HIS  25 -11.633   5.565  -3.738
  168   2HB   HIS  25          2HB       HIS  25 -11.963   5.261  -5.431
  169    HD1  HIS  25           HD1      HIS  25 -13.745   3.807  -3.523
  170    HD2  HIS  25           HD2      HIS  25 -10.055   2.235  -4.750
  171    HE1  HIS  25           HE1      HIS  25 -13.882   1.286  -3.150
  172    HE2  HIS  25           HE2      HIS  25 -11.607   0.369  -3.973
  173    H    VAL  26           H        VAL  26  -7.498   5.898  -4.302
  174    HA   VAL  26           HA       VAL  26  -7.064   3.711  -2.423
  175    HB   VAL  26           HB       VAL  26  -4.712   4.502  -2.517
  176   1HG1  VAL  26          1HG1      VAL  26  -6.054   3.825  -5.154
  177   2HG1  VAL  26          2HG1      VAL  26  -4.299   3.754  -4.866
  178   3HG1  VAL  26          3HG1      VAL  26  -5.394   2.687  -3.956
  179   1HG2  VAL  26          1HG2      VAL  26  -5.695   6.878  -3.382
  180   2HG2  VAL  26          2HG2      VAL  26  -4.015   6.345  -3.635
  181   3HG2  VAL  26          3HG2      VAL  26  -5.217   6.147  -4.933
  182    H    THR  27           H        THR  27  -6.849   4.006  -0.224
  183    HA   THR  27           HA       THR  27  -6.570   6.696   0.814
  184    HB   THR  27           HB       THR  27  -8.698   6.825   1.826
  185    HG1  THR  27           HG1      THR  27  -9.857   4.805   2.240
  186   1HG2  THR  27          1HG2      THR  27  -9.158   5.070  -0.643
  187   2HG2  THR  27          2HG2      THR  27 -10.447   5.923   0.238
  188   3HG2  THR  27          3HG2      THR  27  -9.180   6.849  -0.602
  189    HA   PRO  28           HA       PRO  28  -4.666   4.638   4.067
  190   1HB   PRO  28          1HB       PRO  28  -5.376   6.014   6.320
  191   2HB   PRO  28          2HB       PRO  28  -4.164   6.585   5.190
  192   1HG   PRO  28          1HG       PRO  28  -6.939   7.531   5.565
  193   2HG   PRO  28          2HG       PRO  28  -5.602   8.338   4.770
  194   1HD   PRO  28          1HD       PRO  28  -7.806   7.012   3.501
  195   2HD   PRO  28          2HD       PRO  28  -6.411   7.717   2.709
  196    H    LYS  29           H        LYS  29  -7.004   3.334   3.203
  197    HA   LYS  29           HA       LYS  29  -7.263   1.500   5.270
  198   1HB   LYS  29          1HB       LYS  29  -8.534   3.599   6.189
  199   2HB   LYS  29          2HB       LYS  29  -9.801   3.104   5.085
  200   1HG   LYS  29          1HG       LYS  29  -8.539   1.098   6.988
  201   2HG   LYS  29          2HG       LYS  29  -9.823   2.159   7.534
  202   1HD   LYS  29          1HD       LYS  29 -11.319   1.317   5.738
  203   2HD   LYS  29          2HD       LYS  29 -10.032   0.306   5.113
  204   1HE   LYS  29          1HE       LYS  29 -10.177  -0.350   7.867
  205   2HE   LYS  29          2HE       LYS  29 -11.848  -0.192   7.363
  206   1HZ   LYS  29          1HZ       LYS  29 -10.633  -1.560   5.352
  207   2HZ   LYS  29          2HZ       LYS  29  -9.990  -2.204   6.709
  208   3HZ   LYS  29          3HZ       LYS  29 -11.610  -2.190   6.500
  209    H    GLU  30           H        GLU  30  -8.948   3.172   2.547
  210    HA   GLU  30           HA       GLU  30 -10.229   0.808   1.717
  211   1HB   GLU  30          1HB       GLU  30 -11.176   2.988   1.173
  212   2HB   GLU  30          2HB       GLU  30  -9.721   3.470   0.324
  213   1HG   GLU  30          1HG       GLU  30 -10.304   2.336  -1.578
  214   2HG   GLU  30          2HG       GLU  30 -10.842   0.925  -0.688
  215    H    CYS  31           H        CYS  31  -7.197   2.526   0.826
  216    HA   CYS  31           HA       CYS  31  -6.643   0.873  -1.389
  217   1HB   CYS  31          1HB       CYS  31  -5.530   2.858  -1.536
  218   2HB   CYS  31          2HB       CYS  31  -5.188   2.938   0.181
  219    H    ASN  32           H        ASN  32  -6.085   0.758   2.132
  220    HA   ASN  32           HA       ASN  32  -4.291  -1.466   1.846
  221   1HB   ASN  32          1HB       ASN  32  -3.574  -0.729   3.885
  222   2HB   ASN  32          2HB       ASN  32  -4.787   0.534   3.830
  223   2HD2  ASN  32          2HD2      ASN  32  -7.060  -0.211   4.365
  224   1HD2  ASN  32          1HD2      ASN  32  -7.253  -1.253   5.735
  225    H    ASN  33           H        ASN  33  -7.596  -0.993   1.648
  226    HA   ASN  33           HA       ASN  33  -8.284  -3.329   3.208
  227   1HB   ASN  33          1HB       ASN  33  -9.817  -1.489   3.536
  228   2HB   ASN  33          2HB       ASN  33  -9.898  -1.144   1.820
  229   2HD2  ASN  33          2HD2      ASN  33 -10.925  -2.669   0.411
  230   1HD2  ASN  33          1HD2      ASN  33 -12.210  -3.682   0.980
  231    H    ARG  34           H        ARG  34  -8.307  -1.939  -0.127
  232    HA   ARG  34           HA       ARG  34  -9.673  -3.946  -1.381
  233   1HB   ARG  34          1HB       ARG  34  -8.545  -1.602  -2.180
  234   2HB   ARG  34          2HB       ARG  34  -7.337  -2.699  -2.818
  235   1HG   ARG  34          1HG       ARG  34 -10.334  -2.896  -3.385
  236   2HG   ARG  34          2HG       ARG  34  -9.159  -2.181  -4.472
  237   1HD   ARG  34          1HD       ARG  34  -7.917  -4.529  -4.201
  238   2HD   ARG  34          2HD       ARG  34  -9.500  -5.090  -3.699
  239    HE   ARG  34           HE       ARG  34  -8.702  -4.374  -6.398
  240   1HH1  ARG  34          1HH1      ARG  34 -11.454  -4.435  -4.206
  241   2HH1  ARG  34          2HH1      ARG  34 -12.627  -4.528  -5.477
  242   1HH2  ARG  34          1HH2      ARG  34 -10.248  -4.497  -8.075
  243   2HH2  ARG  34          2HH2      ARG  34 -11.937  -4.564  -7.693
  244    H    GLY  35           H        GLY  35  -6.346  -3.795  -0.168
  245   1HA   GLY  35          1HA       GLY  35  -5.806  -6.446  -1.370
  246   2HA   GLY  35          2HA       GLY  35  -5.438  -6.050   0.297
  247    H    CYS  36           H        CYS  36  -3.935  -4.112   0.672
  248    HA   CYS  36           HA       CYS  36  -1.540  -4.513  -0.526
  249   1HB   CYS  36          1HB       CYS  36  -3.209  -3.177  -2.364
  250   2HB   CYS  36          2HB       CYS  36  -2.105  -1.962  -1.750
  251    H    CYS  37           H        CYS  37  -0.594  -1.727  -0.577
  252    HA   CYS  37           HA       CYS  37  -1.235  -0.974   2.183
  253   1HB   CYS  37          1HB       CYS  37   1.378  -1.258   0.782
  254   2HB   CYS  37          2HB       CYS  37   1.208   0.076   1.906
  255    H    PHE  38           H        PHE  38  -1.207   1.381   2.591
  256    HA   PHE  38           HA       PHE  38  -1.553   2.911   0.108
  257   1HB   PHE  38          1HB       PHE  38  -3.669   2.597   1.357
  258   2HB   PHE  38          2HB       PHE  38  -2.885   2.987   2.875
  259    HD1  PHE  38           HD1      PHE  38  -4.085   4.400  -0.313
  260    HD2  PHE  38           HD2      PHE  38  -2.624   5.248   3.580
  261    HE1  PHE  38           HE1      PHE  38  -4.758   6.803  -0.584
  262    HE2  PHE  38           HE2      PHE  38  -3.297   7.651   3.309
  263    HZ   PHE  38           HZ       PHE  38  -4.356   8.400   1.230
  264    H    ASP  39           H        ASP  39  -1.373   5.420   0.661
  265    HA   ASP  39           HA       ASP  39   0.217   6.189   2.784
  266   1HB   ASP  39          1HB       ASP  39   2.038   4.960   1.722
  267   2HB   ASP  39          2HB       ASP  39   1.677   5.665   0.159
  268    H    SER  40           H        SER  40   0.458   8.540   2.734
  269    HA   SER  40           HA       SER  40  -0.448   9.795   0.276
  270   1HB   SER  40          1HB       SER  40  -1.922  11.313   1.537
  271   2HB   SER  40          2HB       SER  40  -2.405   9.647   1.783
  272    HG   SER  40           HG       SER  40  -2.324  10.955   3.770
  273    H    ARG  41           H        ARG  41   2.116   9.342   2.076
  274    HA   ARG  41           HA       ARG  41   2.829  11.723   3.203
  275   1HB   ARG  41          1HB       ARG  41   4.010   9.282   2.963
  276   2HB   ARG  41          2HB       ARG  41   4.953  10.144   1.764
  277   1HG   ARG  41          1HG       ARG  41   4.900  11.947   3.899
  278   2HG   ARG  41          2HG       ARG  41   4.978  10.398   4.714
  279   1HD   ARG  41          1HD       ARG  41   7.152  10.080   4.106
  280   2HD   ARG  41          2HD       ARG  41   6.815  10.455   2.427
  281    HE   ARG  41           HE       ARG  41   6.859  12.801   4.205
  282   1HH1  ARG  41          1HH1      ARG  41   8.730  10.716   2.075
  283   2HH1  ARG  41          2HH1      ARG  41   9.965  11.898   1.793
  284   1HH2  ARG  41          1HH2      ARG  41   8.488  14.360   3.833
  285   2HH2  ARG  41          2HH2      ARG  41   9.826  13.985   2.799
  286    H    ILE  42           H        ILE  42   3.458  10.471  -0.152
  287    HA   ILE  42           HA       ILE  42   3.583  13.231  -1.063
  288    HB   ILE  42           HB       ILE  42   5.607  12.104  -2.513
  289   1HG1  ILE  42          1HG1      ILE  42   7.181  11.135  -0.858
  290   2HG1  ILE  42          2HG1      ILE  42   5.906  11.133   0.345
  291   1HG2  ILE  42          1HG2      ILE  42   5.330  14.081  -0.347
  292   2HG2  ILE  42          2HG2      ILE  42   6.972  13.427  -0.557
  293   3HG2  ILE  42          3HG2      ILE  42   6.141  14.202  -1.927
  294   1HD1  ILE  42          1HD1      ILE  42   5.080   9.876  -2.203
  295   2HD1  ILE  42          2HD1      ILE  42   6.449   9.055  -1.414
  296   3HD1  ILE  42          3HD1      ILE  42   4.917   9.277  -0.535
  297    HA   PRO  43           HA       PRO  43   1.179  11.365  -4.144
  298   1HB   PRO  43          1HB       PRO  43   0.902  13.503  -5.822
  299   2HB   PRO  43          2HB       PRO  43  -0.089  13.270  -4.396
  300   1HG   PRO  43          1HG       PRO  43   2.147  15.159  -4.810
  301   2HG   PRO  43          2HG       PRO  43   0.892  15.194  -3.587
  302   1HD   PRO  43          1HD       PRO  43   3.616  14.370  -3.227
  303   2HD   PRO  43          2HD       PRO  43   2.333  14.296  -2.036
  304    H    GLY  44           H        GLY  44   4.083  13.092  -5.025
  305   1HA   GLY  44          1HA       GLY  44   5.757  12.387  -6.386
  306   2HA   GLY  44          2HA       GLY  44   4.489  12.465  -7.593
  307    H    VAL  45           H        VAL  45   4.824  10.176  -4.807
  308    HA   VAL  45           HA       VAL  45   5.430   8.037  -6.684
  309    HB   VAL  45           HB       VAL  45   6.314   6.906  -4.920
  310   1HG1  VAL  45          1HG1      VAL  45   7.101   9.478  -5.116
  311   2HG1  VAL  45          2HG1      VAL  45   6.578   9.459  -3.414
  312   3HG1  VAL  45          3HG1      VAL  45   7.825   8.319  -3.975
  313   1HG2  VAL  45          1HG2      VAL  45   4.315   8.331  -3.143
  314   2HG2  VAL  45          2HG2      VAL  45   4.372   6.604  -3.571
  315   3HG2  VAL  45          3HG2      VAL  45   5.624   7.302  -2.515
  316    HA   PRO  46           HA       PRO  46   1.498   6.254  -6.439
  317   1HB   PRO  46          1HB       PRO  46   1.930   3.570  -6.160
  318   2HB   PRO  46          2HB       PRO  46   2.097   4.414  -7.687
  319   1HG   PRO  46          1HG       PRO  46   4.213   3.409  -5.884
  320   2HG   PRO  46          2HG       PRO  46   4.333   3.860  -7.573
  321   1HD   PRO  46          1HD       PRO  46   5.216   5.398  -5.319
  322   2HD   PRO  46          2HD       PRO  46   5.230   5.897  -6.998
  323    H    TRP  47           H        TRP  47   0.618   7.312  -4.651
  324    HA   TRP  47           HA       TRP  47   0.988   6.948  -2.090
  325   1HB   TRP  47          1HB       TRP  47  -1.515   7.225  -3.678
  326   2HB   TRP  47          2HB       TRP  47  -1.674   6.855  -1.973
  327    HD1  TRP  47           HD1      TRP  47   1.208   9.150  -3.066
  328    HE1  TRP  47           HE1      TRP  47   0.850  11.621  -2.211
  329    HE3  TRP  47           HE3      TRP  47  -3.536   8.437  -1.378
  330    HZ2  TRP  47           HZ2      TRP  47  -1.328  12.969  -0.953
  331    HZ3  TRP  47           HZ3      TRP  47  -4.707  10.383  -0.350
  332    HH2  TRP  47           HH2      TRP  47  -3.679  12.589  -0.124
  333    H    CYS  48           H        CYS  48  -1.075   4.680  -4.058
  334    HA   CYS  48           HA       CYS  48  -0.939   2.763  -1.901
  335   1HB   CYS  48          1HB       CYS  48  -3.008   3.348  -3.351
  336   2HB   CYS  48          2HB       CYS  48  -2.274   2.310  -4.557
  337    H    PHE  49           H        PHE  49   0.708   1.274  -1.824
  338    HA   PHE  49           HA       PHE  49   1.760   0.291  -4.355
  339   1HB   PHE  49          1HB       PHE  49   4.090   0.559  -3.212
  340   2HB   PHE  49          2HB       PHE  49   3.339   2.044  -3.762
  341    HD1  PHE  49           HD1      PHE  49   3.649  -0.088  -0.721
  342    HD2  PHE  49           HD2      PHE  49   3.101   3.818  -2.285
  343    HE1  PHE  49           HE1      PHE  49   3.835   0.864   1.593
  344    HE2  PHE  49           HE2      PHE  49   3.287   4.771   0.030
  345    HZ   PHE  49           HZ       PHE  49   3.652   3.282   1.941
  346    H    LYS  50           H        LYS  50   3.188  -1.687  -3.996
  347    HA   LYS  50           HA       LYS  50   1.822  -3.469  -2.289
  348   1HB   LYS  50          1HB       LYS  50   4.479  -3.911  -3.673
  349   2HB   LYS  50          2HB       LYS  50   3.336  -5.129  -3.142
  350   1HG   LYS  50          1HG       LYS  50   1.618  -4.070  -4.725
  351   2HG   LYS  50          2HG       LYS  50   2.912  -3.067  -5.351
  352   1HD   LYS  50          1HD       LYS  50   3.050  -4.839  -6.849
  353   2HD   LYS  50          2HD       LYS  50   4.175  -5.407  -5.631
  354   1HE   LYS  50          1HE       LYS  50   2.657  -6.988  -4.759
  355   2HE   LYS  50          2HE       LYS  50   1.250  -6.111  -5.325
  356   1HZ   LYS  50          1HZ       LYS  50   3.014  -7.001  -7.400
  357   2HZ   LYS  50          2HZ       LYS  50   2.295  -8.206  -6.564
  358   3HZ   LYS  50          3HZ       LYS  50   1.385  -7.076  -7.313
  359    HA   PRO  51           HA       PRO  51   4.176  -3.238   1.320
  360   1HB   PRO  51          1HB       PRO  51   4.300  -5.821   2.204
  361   2HB   PRO  51          2HB       PRO  51   2.884  -4.808   2.401
  362   1HG   PRO  51          1HG       PRO  51   3.324  -7.030   0.501
  363   2HG   PRO  51          2HG       PRO  51   1.813  -6.299   1.005
  364   1HD   PRO  51          1HD       PRO  51   3.178  -5.877  -1.482
  365   2HD   PRO  51          2HD       PRO  51   1.729  -5.060  -0.929
  366    H    LEU  52           H        LEU  52   6.216  -2.660   1.687
  367    HA   LEU  52           HA       LEU  52   8.256  -3.168   0.079
  368   1HB   LEU  52          1HB       LEU  52   8.414  -1.658   1.923
  369   2HB   LEU  52          2HB       LEU  52   8.273  -2.960   3.088
  370    HG   LEU  52           HG       LEU  52  10.599  -2.584   1.181
  371   1HD1  LEU  52          1HD1      LEU  52  10.018  -1.059   3.411
  372   2HD1  LEU  52          2HD1      LEU  52  11.140  -2.290   4.037
  373   3HD1  LEU  52          3HD1      LEU  52  11.619  -1.266   2.662
  374   1HD2  LEU  52          1HD2      LEU  52   9.807  -4.761   2.995
  375   2HD2  LEU  52          2HD2      LEU  52  10.916  -4.762   1.603
  376   3HD2  LEU  52          3HD2      LEU  52  11.485  -4.203   3.194
  377    H    GLN  53           H        GLN  53   9.584  -4.820  -0.549
  378    HA   GLN  53           HA       GLN  53   8.795  -7.410   0.021
  379   1HB   GLN  53          1HB       GLN  53  11.110  -7.952  -1.062
  380   2HB   GLN  53          2HB       GLN  53   9.901  -7.135  -2.032
  381   1HG   GLN  53          1HG       GLN  53  11.581  -5.260  -0.474
  382   2HG   GLN  53          2HG       GLN  53  12.512  -6.242  -1.587
  383   2HE2  GLN  53          2HE2      GLN  53  11.057  -3.392  -1.286
  384   1HE2  GLN  53          1HE2      GLN  53  10.583  -3.042  -2.915
  385    H    GLU  54           H        GLU  54   8.726  -7.456   2.401
  386    HA   GLU  54           HA       GLU  54  10.761  -6.899   4.067
  387   1HB   GLU  54          1HB       GLU  54   9.620  -8.182   5.682
  388   2HB   GLU  54          2HB       GLU  54   8.355  -7.768   4.542
  389   1HG   GLU  54          1HG       GLU  54   7.991 -10.066   4.778
  390   2HG   GLU  54          2HG       GLU  54   9.027 -10.044   3.364
  391    H    ALA  55           H        ALA  55  12.844  -7.591   4.264
  392    HA   ALA  55           HA       ALA  55  13.482 -10.359   4.040
  393   1HB   ALA  55          1HB       ALA  55  14.570 -10.435   2.014
  394   2HB   ALA  55          2HB       ALA  55  13.332  -9.221   1.612
  395   3HB   ALA  55          3HB       ALA  55  14.979  -8.703   2.044
  396    H    GLU  56           H        GLU  56  14.334 -10.133   6.126
  397    HA   GLU  56           HA       GLU  56  16.030  -7.973   6.752
  398   1HB   GLU  56          1HB       GLU  56  14.829 -10.266   8.117
  399   2HB   GLU  56          2HB       GLU  56  16.492 -10.043   8.624
  400   1HG   GLU  56          1HG       GLU  56  16.088  -7.782   9.344
  401   2HG   GLU  56          2HG       GLU  56  14.561  -7.695   8.489
  402    H    CYS  57           H        CYS  57  16.597 -11.531   6.248
  403    HA   CYS  57           HA       CYS  57  19.337 -10.815   5.504
  404   1HB   CYS  57          1HB       CYS  57  18.452 -12.541   7.638
  405   2HB   CYS  57          2HB       CYS  57  19.351 -13.471   6.456
  406    H    THR  58           H        THR  58  16.863 -13.494   5.459
  407    HA   THR  58           HA       THR  58  17.491 -13.847   2.602
  408    HB   THR  58           HB       THR  58  17.123 -16.300   3.022
  409    HG1  THR  58           HG1      THR  58  16.880 -16.855   5.314
  410   1HG2  THR  58          1HG2      THR  58  19.465 -15.228   3.376
  411   2HG2  THR  58          2HG2      THR  58  19.081 -15.243   5.114
  412   3HG2  THR  58          3HG2      THR  58  19.171 -16.773   4.210
  413    H    PHE  59           H        PHE  59  15.622 -15.238   1.549
  414    HA   PHE  59           HA       PHE  59  13.478 -13.721   1.217
  415   1HB   PHE  59          1HB       PHE  59  14.298 -16.442   0.785
  416   2HB   PHE  59          2HB       PHE  59  12.691 -16.557   1.474
  417    HD1  PHE  59           HD1      PHE  59  14.317 -14.276  -1.009
  418    HD2  PHE  59           HD2      PHE  59  11.083 -16.881  -0.131
  419    HE1  PHE  59           HE1      PHE  59  13.316 -13.793  -3.260
  420    HE2  PHE  59           HE2      PHE  59  10.083 -16.397  -2.382
  421    HZ   PHE  59           HZ       PHE  59  11.212 -14.859  -3.920

  No H/Q in entry =         421
  Start of MODEL   33
    1    H    GLU   1           H        GLU   1  11.497 -13.293  21.625
    2    HA   GLU   1           HA       GLU   1   9.368 -13.843  20.663
    3   1HB   GLU   1          1HB       GLU   1   9.570 -12.677  23.430
    4   2HB   GLU   1          2HB       GLU   1   7.976 -13.110  22.844
    5   1HG   GLU   1          1HG       GLU   1   9.318 -15.361  22.107
    6   2HG   GLU   1          2HG       GLU   1  10.322 -14.880  23.461
    7    H    GLU   2           H        GLU   2   9.148 -12.314  18.805
    8    HA   GLU   2           HA       GLU   2   6.828 -10.846  19.025
    9   1HB   GLU   2          1HB       GLU   2   9.254  -9.349  19.721
   10   2HB   GLU   2          2HB       GLU   2   8.432  -8.629  18.351
   11   1HG   GLU   2          1HG       GLU   2   6.301  -9.203  20.034
   12   2HG   GLU   2          2HG       GLU   2   7.563  -8.823  21.188
   13    H    TYR   3           H        TYR   3   6.747  -9.212  16.914
   14    HA   TYR   3           HA       TYR   3   8.415  -9.994  14.756
   15   1HB   TYR   3          1HB       TYR   3   6.449 -11.830  15.444
   16   2HB   TYR   3          2HB       TYR   3   5.513 -10.779  14.400
   17    HD1  TYR   3           HD1      TYR   3   8.287 -13.189  14.547
   18    HD2  TYR   3           HD2      TYR   3   5.961 -10.658  12.000
   19    HE1  TYR   3           HE1      TYR   3   9.194 -14.399  12.503
   20    HE2  TYR   3           HE2      TYR   3   6.877 -11.876   9.965
   21    HH   TYR   3           HH       TYR   3   7.971 -13.656   9.278
   22    H    VAL   4           H        VAL   4   7.251  -9.219  12.571
   23    HA   VAL   4           HA       VAL   4   5.416  -7.043  13.037
   24    HB   VAL   4           HB       VAL   4   7.575  -6.033  13.554
   25   1HG1  VAL   4          1HG1      VAL   4   8.775  -7.698  11.904
   26   2HG1  VAL   4          2HG1      VAL   4   8.504  -6.396  10.721
   27   3HG1  VAL   4          3HG1      VAL   4   9.445  -6.075  12.197
   28   1HG2  VAL   4          1HG2      VAL   4   5.879  -5.200  11.287
   29   2HG2  VAL   4          2HG2      VAL   4   6.396  -4.296  12.731
   30   3HG2  VAL   4          3HG2      VAL   4   7.486  -4.437  11.331
   31    H    GLY   5           H        GLY   5   3.931  -7.204  11.444
   32   1HA   GLY   5          1HA       GLY   5   3.935  -8.982   9.399
   33   2HA   GLY   5          2HA       GLY   5   4.757  -7.595   8.710
   34    H    LEU   6           H        LEU   6   3.208  -5.704  10.565
   35    HA   LEU   6           HA       LEU   6   0.604  -5.924   9.225
   36   1HB   LEU   6          1HB       LEU   6  -0.432  -5.114  11.073
   37   2HB   LEU   6          2HB       LEU   6   0.870  -6.028  11.808
   38    HG   LEU   6           HG       LEU   6   1.117  -3.063  11.292
   39   1HD1  LEU   6          1HD1      LEU   6  -0.916  -3.396  12.609
   40   2HD1  LEU   6          2HD1      LEU   6  -0.005  -4.376  13.783
   41   3HD1  LEU   6          3HD1      LEU   6   0.373  -2.648  13.583
   42   1HD2  LEU   6          1HD2      LEU   6   2.607  -5.098  12.926
   43   2HD2  LEU   6          2HD2      LEU   6   3.226  -3.888  11.777
   44   3HD2  LEU   6          3HD2      LEU   6   2.637  -3.376  13.377
   45    H    SER   7           H        SER   7  -0.412  -3.494   9.184
   46    HA   SER   7           HA       SER   7   0.801  -2.224   7.163
   47   1HB   SER   7          1HB       SER   7  -0.503  -0.172   7.911
   48   2HB   SER   7          2HB       SER   7  -1.447  -1.641   7.765
   49    HG   SER   7           HG       SER   7  -0.296  -0.745  10.265
   50    H    ALA   8           H        ALA   8   1.780   0.102   7.174
   51    HA   ALA   8           HA       ALA   8   3.219   1.637   7.950
   52   1HB   ALA   8          1HB       ALA   8   3.846   0.127  10.468
   53   2HB   ALA   8          2HB       ALA   8   3.669   1.879  10.203
   54   3HB   ALA   8          3HB       ALA   8   2.225   0.842  10.296
   55    H    ASN   9           H        ASN   9   4.462  -1.418   9.471
   56    HA   ASN   9           HA       ASN   9   7.024  -1.086   8.671
   57   1HB   ASN   9          1HB       ASN   9   6.520  -2.832  10.252
   58   2HB   ASN   9          2HB       ASN   9   5.349  -3.580   9.184
   59   2HD2  ASN   9          2HD2      ASN   9   5.975  -5.359   8.252
   60   1HD2  ASN   9          1HD2      ASN   9   7.590  -5.815   7.821
   61    H    GLN  10           H        GLN  10   4.898  -3.669   7.236
   62    HA   GLN  10           HA       GLN  10   6.333  -4.080   4.997
   63   1HB   GLN  10          1HB       GLN  10   4.257  -5.029   4.021
   64   2HB   GLN  10          2HB       GLN  10   4.461  -5.508   5.694
   65   1HG   GLN  10          1HG       GLN  10   3.002  -3.320   6.178
   66   2HG   GLN  10          2HG       GLN  10   2.497  -3.535   4.513
   67   2HE2  GLN  10          2HE2      GLN  10   3.252  -5.721   7.228
   68   1HE2  GLN  10          1HE2      GLN  10   1.782  -6.637   7.187
   69    H    CYS  11           H        CYS  11   4.307  -1.322   5.785
   70    HA   CYS  11           HA       CYS  11   4.488  -0.425   3.005
   71   1HB   CYS  11          1HB       CYS  11   2.778   1.028   4.951
   72   2HB   CYS  11          2HB       CYS  11   2.547   0.738   3.238
   73    H    ALA  12           H        ALA  12   6.836  -0.413   4.584
   74    HA   ALA  12           HA       ALA  12   7.064   2.422   5.331
   75   1HB   ALA  12          1HB       ALA  12   8.981   1.622   6.752
   76   2HB   ALA  12          2HB       ALA  12   7.398   0.975   7.247
   77   3HB   ALA  12          3HB       ALA  12   8.532  -0.048   6.333
   78    H    VAL  13           H        VAL  13   7.122   2.005   2.655
   79    HA   VAL  13           HA       VAL  13   9.870   1.489   1.878
   80    HB   VAL  13           HB       VAL  13   7.899   2.416  -0.109
   81   1HG1  VAL  13          1HG1      VAL  13  10.183   0.577   0.110
   82   2HG1  VAL  13          2HG1      VAL  13   8.845  -0.053  -0.880
   83   3HG1  VAL  13          3HG1      VAL  13   9.590   1.513  -1.283
   84   1HG2  VAL  13          1HG2      VAL  13   7.368   0.058   1.673
   85   2HG2  VAL  13          2HG2      VAL  13   6.234   1.242   0.978
   86   3HG2  VAL  13          3HG2      VAL  13   6.930  -0.033  -0.050
   87    HA   PRO  14           HA       PRO  14  10.907   5.680   1.709
   88   1HB   PRO  14          1HB       PRO  14  12.969   5.649  -0.084
   89   2HB   PRO  14          2HB       PRO  14  13.155   5.195   1.598
   90   1HG   PRO  14          1HG       PRO  14  13.048   3.456  -0.790
   91   2HG   PRO  14          2HG       PRO  14  13.646   3.082   0.814
   92   1HD   PRO  14          1HD       PRO  14  11.140   2.266  -0.316
   93   2HD   PRO  14          2HD       PRO  14  11.688   1.991   1.325
   94    H    ALA  15           H        ALA  15   9.233   4.205  -0.632
   95    HA   ALA  15           HA       ALA  15   7.775   5.197  -2.042
   96   1HB   ALA  15          1HB       ALA  15   9.313   7.746  -2.309
   97   2HB   ALA  15          2HB       ALA  15   7.558   7.477  -2.190
   98   3HB   ALA  15          3HB       ALA  15   8.570   7.411  -0.727
   99    H    LYS  16           H        LYS  16  11.299   5.354  -2.306
  100    HA   LYS  16           HA       LYS  16  11.171   5.410  -5.200
  101   1HB   LYS  16          1HB       LYS  16  13.600   5.524  -5.083
  102   2HB   LYS  16          2HB       LYS  16  12.872   6.740  -4.054
  103   1HG   LYS  16          1HG       LYS  16  14.310   5.918  -2.469
  104   2HG   LYS  16          2HG       LYS  16  13.081   4.686  -2.255
  105   1HD   LYS  16          1HD       LYS  16  15.210   3.554  -2.534
  106   2HD   LYS  16          2HD       LYS  16  14.265   3.264  -3.981
  107   1HE   LYS  16          1HE       LYS  16  15.892   4.192  -5.256
  108   2HE   LYS  16          2HE       LYS  16  15.723   5.710  -4.398
  109   1HZ   LYS  16          1HZ       LYS  16  17.162   4.687  -2.658
  110   2HZ   LYS  16          2HZ       LYS  16  17.466   3.461  -3.694
  111   3HZ   LYS  16          3HZ       LYS  16  17.905   4.986  -4.082
  112    H    ASP  17           H        ASP  17  10.261   3.148  -3.134
  113    HA   ASP  17           HA       ASP  17  11.481   1.055  -4.743
  114   1HB   ASP  17          1HB       ASP  17  11.780   1.467  -1.914
  115   2HB   ASP  17          2HB       ASP  17  10.751   0.063  -2.115
  116    H    ARG  18           H        ARG  18   8.824   2.688  -4.570
  117    HA   ARG  18           HA       ARG  18   6.919   0.842  -3.616
  118   1HB   ARG  18          1HB       ARG  18   6.377   3.144  -5.543
  119   2HB   ARG  18          2HB       ARG  18   5.273   2.454  -4.369
  120   1HG   ARG  18          1HG       ARG  18   7.878   3.647  -3.395
  121   2HG   ARG  18          2HG       ARG  18   6.573   4.726  -3.847
  122   1HD   ARG  18          1HD       ARG  18   5.234   2.852  -2.288
  123   2HD   ARG  18          2HD       ARG  18   6.797   2.916  -1.498
  124    HE   ARG  18           HE       ARG  18   5.547   5.528  -2.131
  125   1HH1  ARG  18          1HH1      ARG  18   6.202   3.054   0.283
  126   2HH1  ARG  18          2HH1      ARG  18   5.890   4.101   1.627
  127   1HH2  ARG  18          1HH2      ARG  18   5.135   6.911  -0.359
  128   2HH2  ARG  18          2HH2      ARG  18   5.279   6.310   1.259
  129    H    VAL  19           H        VAL  19   5.551  -0.573  -4.826
  130    HA   VAL  19           HA       VAL  19   6.524  -1.099  -7.533
  131    HB   VAL  19           HB       VAL  19   4.914  -2.762  -5.586
  132   1HG1  VAL  19          1HG1      VAL  19   5.821  -3.295  -8.420
  133   2HG1  VAL  19          2HG1      VAL  19   5.491  -4.615  -7.273
  134   3HG1  VAL  19          3HG1      VAL  19   4.197  -3.474  -7.713
  135   1HG2  VAL  19          1HG2      VAL  19   7.825  -2.625  -6.307
  136   2HG2  VAL  19          2HG2      VAL  19   7.052  -2.824  -4.716
  137   3HG2  VAL  19          3HG2      VAL  19   7.111  -4.191  -5.855
  138    H    ASP  20           H        ASP  20   4.321   0.873  -6.146
  139    HA   ASP  20           HA       ASP  20   2.339   1.643  -6.637
  140   1HB   ASP  20          1HB       ASP  20   3.398   2.604  -8.542
  141   2HB   ASP  20          2HB       ASP  20   3.554   1.058  -9.352
  142    H    CYS  21           H        CYS  21   0.786   0.155  -5.801
  143    HA   CYS  21           HA       CYS  21   0.282  -2.326  -7.031
  144   1HB   CYS  21          1HB       CYS  21  -0.330  -1.121  -4.610
  145   2HB   CYS  21          2HB       CYS  21  -1.892  -1.270  -5.390
  146    H    GLY  22           H        GLY  22  -0.770   0.997  -7.527
  147   1HA   GLY  22          1HA       GLY  22  -2.121   0.360  -9.936
  148   2HA   GLY  22          2HA       GLY  22  -2.048   1.918  -9.137
  149    H    TYR  23           H        TYR  23  -3.731   2.599  -7.741
  150    HA   TYR  23           HA       TYR  23  -6.127   0.931  -7.923
  151   1HB   TYR  23          1HB       TYR  23  -4.594   2.012  -5.520
  152   2HB   TYR  23          2HB       TYR  23  -6.342   1.970  -5.404
  153    HD1  TYR  23           HD1      TYR  23  -7.504  -0.314  -5.856
  154    HD2  TYR  23           HD2      TYR  23  -3.328   0.098  -5.020
  155    HE1  TYR  23           HE1      TYR  23  -7.392  -2.760  -5.170
  156    HE2  TYR  23           HE2      TYR  23  -3.231  -2.349  -4.337
  157    HH   TYR  23           HH       TYR  23  -6.130  -4.394  -4.541
  158    HA   PRO  24           HA       PRO  24  -7.919   4.778  -8.781
  159   1HB   PRO  24          1HB       PRO  24 -10.564   4.179  -8.447
  160   2HB   PRO  24          2HB       PRO  24  -9.670   3.788  -9.902
  161   1HG   PRO  24          1HG       PRO  24 -10.542   1.990  -7.723
  162   2HG   PRO  24          2HG       PRO  24 -10.039   1.579  -9.351
  163   1HD   PRO  24          1HD       PRO  24  -8.492   1.294  -6.952
  164   2HD   PRO  24          2HD       PRO  24  -7.950   0.993  -8.591
  165    H    HIS  25           H        HIS  25 -10.170   3.643  -6.339
  166    HA   HIS  25           HA       HIS  25  -9.801   6.171  -5.000
  167   1HB   HIS  25          1HB       HIS  25 -11.777   5.666  -3.819
  168   2HB   HIS  25          2HB       HIS  25 -12.049   5.137  -5.467
  169    HD1  HIS  25           HD1      HIS  25 -13.597   4.002  -2.942
  170    HD2  HIS  25           HD2      HIS  25 -10.338   2.168  -4.842
  171    HE1  HIS  25           HE1      HIS  25 -13.749   1.517  -2.384
  172    HE2  HIS  25           HE2      HIS  25 -11.752   0.435  -3.623
  173    H    VAL  26           H        VAL  26  -7.622   5.943  -4.221
  174    HA   VAL  26           HA       VAL  26  -7.179   3.761  -2.344
  175    HB   VAL  26           HB       VAL  26  -4.849   4.641  -2.363
  176   1HG1  VAL  26          1HG1      VAL  26  -6.071   3.924  -5.049
  177   2HG1  VAL  26          2HG1      VAL  26  -4.333   3.871  -4.667
  178   3HG1  VAL  26          3HG1      VAL  26  -5.465   2.794  -3.815
  179   1HG2  VAL  26          1HG2      VAL  26  -5.658   6.998  -3.064
  180   2HG2  VAL  26          2HG2      VAL  26  -4.141   6.379  -3.760
  181   3HG2  VAL  26          3HG2      VAL  26  -5.639   6.349  -4.722
  182    H    THR  27           H        THR  27  -6.820   4.071  -0.129
  183    HA   THR  27           HA       THR  27  -6.765   6.761   0.920
  184    HB   THR  27           HB       THR  27  -8.884   6.722   1.973
  185    HG1  THR  27           HG1      THR  27  -8.399   3.882   1.598
  186   1HG2  THR  27          1HG2      THR  27  -9.279   4.982  -0.520
  187   2HG2  THR  27          2HG2      THR  27 -10.586   5.797   0.373
  188   3HG2  THR  27          3HG2      THR  27  -9.352   6.761  -0.474
  189    HA   PRO  28           HA       PRO  28  -4.706   4.830   4.158
  190   1HB   PRO  28          1HB       PRO  28  -5.533   6.101   6.432
  191   2HB   PRO  28          2HB       PRO  28  -4.375   6.794   5.314
  192   1HG   PRO  28          1HG       PRO  28  -7.222   7.489   5.700
  193   2HG   PRO  28          2HG       PRO  28  -5.960   8.422   4.920
  194   1HD   PRO  28          1HD       PRO  28  -8.040   6.931   3.626
  195   2HD   PRO  28          2HD       PRO  28  -6.712   7.768   2.848
  196    H    LYS  29           H        LYS  29  -6.966   3.373   3.271
  197    HA   LYS  29           HA       LYS  29  -7.045   1.462   5.281
  198   1HB   LYS  29          1HB       LYS  29  -8.455   3.441   6.281
  199   2HB   LYS  29          2HB       LYS  29  -9.705   2.860   5.199
  200   1HG   LYS  29          1HG       LYS  29  -8.416   0.636   6.624
  201   2HG   LYS  29          2HG       LYS  29  -9.059   1.819   7.745
  202   1HD   LYS  29          1HD       LYS  29 -10.934   1.287   5.538
  203   2HD   LYS  29          2HD       LYS  29 -10.521  -0.181   6.400
  204   1HE   LYS  29          1HE       LYS  29 -10.936   1.380   8.555
  205   2HE   LYS  29          2HE       LYS  29 -11.912   2.294   7.422
  206   1HZ   LYS  29          1HZ       LYS  29 -12.195  -0.591   7.911
  207   2HZ   LYS  29          2HZ       LYS  29 -13.159   0.565   8.545
  208   3HZ   LYS  29          3HZ       LYS  29 -13.141   0.312   6.932
  209    H    GLU  30           H        GLU  30  -9.197   3.040   2.814
  210    HA   GLU  30           HA       GLU  30 -10.266   0.675   1.892
  211   1HB   GLU  30          1HB       GLU  30 -11.160   2.956   1.412
  212   2HB   GLU  30          2HB       GLU  30  -9.794   3.273   0.362
  213   1HG   GLU  30          1HG       GLU  30 -10.854   2.257  -1.363
  214   2HG   GLU  30          2HG       GLU  30 -10.929   0.759  -0.458
  215    H    CYS  31           H        CYS  31  -7.352   2.533   0.832
  216    HA   CYS  31           HA       CYS  31  -6.764   0.918  -1.359
  217   1HB   CYS  31          1HB       CYS  31  -5.632   2.888  -1.446
  218   2HB   CYS  31          2HB       CYS  31  -5.317   2.929   0.278
  219    H    ASN  32           H        ASN  32  -5.877   0.806   2.139
  220    HA   ASN  32           HA       ASN  32  -4.192  -1.443   1.757
  221   1HB   ASN  32          1HB       ASN  32  -3.525  -0.946   3.895
  222   2HB   ASN  32          2HB       ASN  32  -4.538   0.478   3.759
  223   2HD2  ASN  32          2HD2      ASN  32  -4.045  -2.546   5.246
  224   1HD2  ASN  32          1HD2      ASN  32  -5.460  -2.610   6.242
  225    H    ASN  33           H        ASN  33  -7.522  -0.992   1.655
  226    HA   ASN  33           HA       ASN  33  -8.127  -3.450   3.060
  227   1HB   ASN  33          1HB       ASN  33  -9.554  -1.412   3.463
  228   2HB   ASN  33          2HB       ASN  33  -9.978  -1.379   1.763
  229   2HD2  ASN  33          2HD2      ASN  33 -10.687  -2.607   4.826
  230   1HD2  ASN  33          1HD2      ASN  33 -11.910  -3.761   4.410
  231    H    ARG  34           H        ARG  34  -8.090  -1.841  -0.145
  232    HA   ARG  34           HA       ARG  34  -9.578  -3.699  -1.529
  233   1HB   ARG  34          1HB       ARG  34  -8.383  -1.324  -2.156
  234   2HB   ARG  34          2HB       ARG  34  -7.242  -2.412  -2.921
  235   1HG   ARG  34          1HG       ARG  34  -9.020  -1.749  -4.513
  236   2HG   ARG  34          2HG       ARG  34  -9.070  -3.475  -4.214
  237   1HD   ARG  34          1HD       ARG  34 -11.003  -3.303  -2.812
  238   2HD   ARG  34          2HD       ARG  34 -10.781  -1.583  -2.560
  239    HE   ARG  34           HE       ARG  34 -11.774  -1.142  -4.663
  240   1HH1  ARG  34          1HH1      ARG  34 -11.231  -4.595  -4.254
  241   2HH1  ARG  34          2HH1      ARG  34 -12.199  -5.039  -5.620
  242   1HH2  ARG  34          1HH2      ARG  34 -13.052  -1.727  -6.465
  243   2HH2  ARG  34          2HH2      ARG  34 -13.242  -3.396  -6.886
  244    H    GLY  35           H        GLY  35  -6.291  -3.779  -0.267
  245   1HA   GLY  35          1HA       GLY  35  -5.794  -6.301  -1.735
  246   2HA   GLY  35          2HA       GLY  35  -5.437  -6.080  -0.033
  247    H    CYS  36           H        CYS  36  -3.970  -4.074   0.484
  248    HA   CYS  36           HA       CYS  36  -1.525  -4.466  -0.618
  249   1HB   CYS  36          1HB       CYS  36  -3.068  -3.158  -2.531
  250   2HB   CYS  36          2HB       CYS  36  -2.125  -1.873  -1.803
  251    H    CYS  37           H        CYS  37  -0.664  -1.602  -0.603
  252    HA   CYS  37           HA       CYS  37  -1.385  -0.942   2.159
  253   1HB   CYS  37          1HB       CYS  37   1.294  -1.161   0.862
  254   2HB   CYS  37          2HB       CYS  37   1.056   0.106   2.049
  255    H    PHE  38           H        PHE  38  -1.359   1.408   2.618
  256    HA   PHE  38           HA       PHE  38  -1.663   2.974   0.153
  257   1HB   PHE  38          1HB       PHE  38  -3.765   2.672   1.441
  258   2HB   PHE  38          2HB       PHE  38  -2.952   3.072   2.941
  259    HD1  PHE  38           HD1      PHE  38  -4.252   4.448  -0.215
  260    HD2  PHE  38           HD2      PHE  38  -2.600   5.350   3.588
  261    HE1  PHE  38           HE1      PHE  38  -4.909   6.854  -0.501
  262    HE2  PHE  38           HE2      PHE  38  -3.257   7.756   3.303
  263    HZ   PHE  38           HZ       PHE  38  -4.403   8.479   1.262
  264    H    ASP  39           H        ASP  39  -1.451   5.483   0.750
  265    HA   ASP  39           HA       ASP  39   0.152   6.232   2.848
  266   1HB   ASP  39          1HB       ASP  39   1.956   4.934   1.840
  267   2HB   ASP  39          2HB       ASP  39   1.642   5.622   0.259
  268    H    SER  40           H        SER  40   0.302   8.559   2.822
  269    HA   SER  40           HA       SER  40  -0.481   9.802   0.308
  270   1HB   SER  40          1HB       SER  40  -1.943  11.360   1.514
  271   2HB   SER  40          2HB       SER  40  -2.447   9.710   1.824
  272    HG   SER  40           HG       SER  40  -0.569  10.531   3.685
  273    H    ARG  41           H        ARG  41   2.075   9.317   2.074
  274    HA   ARG  41           HA       ARG  41   2.836  11.691   3.197
  275   1HB   ARG  41          1HB       ARG  41   3.967   9.220   2.955
  276   2HB   ARG  41          2HB       ARG  41   4.932  10.072   1.767
  277   1HG   ARG  41          1HG       ARG  41   4.742  11.778   4.073
  278   2HG   ARG  41          2HG       ARG  41   5.125  10.170   4.656
  279   1HD   ARG  41          1HD       ARG  41   7.289  10.645   4.113
  280   2HD   ARG  41          2HD       ARG  41   6.809  10.400   2.445
  281    HE   ARG  41           HE       ARG  41   6.226  13.103   3.392
  282   1HH1  ARG  41          1HH1      ARG  41   8.718  11.022   2.036
  283   2HH1  ARG  41          2HH1      ARG  41   9.627  12.334   1.363
  284   1HH2  ARG  41          1HH2      ARG  41   7.425  14.834   2.504
  285   2HH2  ARG  41          2HH2      ARG  41   8.887  14.517   1.631
  286    H    ILE  42           H        ILE  42   3.361  10.416  -0.162
  287    HA   ILE  42           HA       ILE  42   3.547  13.158  -1.095
  288    HB   ILE  42           HB       ILE  42   5.569  12.022  -2.529
  289   1HG1  ILE  42          1HG1      ILE  42   7.130  11.024  -0.889
  290   2HG1  ILE  42          2HG1      ILE  42   5.867  11.042   0.325
  291   1HG2  ILE  42          1HG2      ILE  42   5.488  14.290  -1.603
  292   2HG2  ILE  42          2HG2      ILE  42   5.822  13.641   0.021
  293   3HG2  ILE  42          3HG2      ILE  42   7.044  13.494  -1.265
  294   1HD1  ILE  42          1HD1      ILE  42   5.045   9.786  -2.238
  295   2HD1  ILE  42          2HD1      ILE  42   6.357   8.937  -1.387
  296   3HD1  ILE  42          3HD1      ILE  42   4.803   9.223  -0.567
  297    HA   PRO  43           HA       PRO  43   1.142  11.270  -4.163
  298   1HB   PRO  43          1HB       PRO  43   0.882  13.391  -5.866
  299   2HB   PRO  43          2HB       PRO  43  -0.115  13.179  -4.441
  300   1HG   PRO  43          1HG       PRO  43   2.133  15.051  -4.868
  301   2HG   PRO  43          2HG       PRO  43   0.875  15.107  -3.650
  302   1HD   PRO  43          1HD       PRO  43   3.593  14.272  -3.273
  303   2HD   PRO  43          2HD       PRO  43   2.306  14.219  -2.085
  304    H    GLY  44           H        GLY  44   4.054  12.977  -5.060
  305   1HA   GLY  44          1HA       GLY  44   5.727  12.258  -6.413
  306   2HA   GLY  44          2HA       GLY  44   4.458  12.307  -7.621
  307    H    VAL  45           H        VAL  45   4.774  10.073  -4.791
  308    HA   VAL  45           HA       VAL  45   5.399   7.900  -6.626
  309    HB   VAL  45           HB       VAL  45   6.268   6.795  -4.832
  310   1HG1  VAL  45          1HG1      VAL  45   7.031   9.400  -5.083
  311   2HG1  VAL  45          2HG1      VAL  45   6.603   9.339  -3.357
  312   3HG1  VAL  45          3HG1      VAL  45   7.821   8.218  -4.011
  313   1HG2  VAL  45          1HG2      VAL  45   4.188   8.224  -3.180
  314   2HG2  VAL  45          2HG2      VAL  45   4.449   6.477  -3.401
  315   3HG2  VAL  45          3HG2      VAL  45   5.582   7.428  -2.410
  316    HA   PRO  46           HA       PRO  46   1.477   6.098  -6.339
  317   1HB   PRO  46          1HB       PRO  46   1.914   3.428  -5.953
  318   2HB   PRO  46          2HB       PRO  46   2.093   4.213  -7.509
  319   1HG   PRO  46          1HG       PRO  46   4.195   3.285  -5.650
  320   2HG   PRO  46          2HG       PRO  46   4.329   3.671  -7.354
  321   1HD   PRO  46          1HD       PRO  46   5.187   5.297  -5.152
  322   2HD   PRO  46          2HD       PRO  46   5.215   5.732  -6.850
  323    H    TRP  47           H        TRP  47   0.523   7.185  -4.625
  324    HA   TRP  47           HA       TRP  47   0.897   6.910  -2.032
  325   1HB   TRP  47          1HB       TRP  47  -1.570   7.206  -3.665
  326   2HB   TRP  47          2HB       TRP  47  -1.776   6.854  -1.961
  327    HD1  TRP  47           HD1      TRP  47   1.161   9.095  -3.032
  328    HE1  TRP  47           HE1      TRP  47   0.833  11.576  -2.196
  329    HE3  TRP  47           HE3      TRP  47  -3.607   8.464  -1.383
  330    HZ2  TRP  47           HZ2      TRP  47  -1.336  12.965  -0.966
  331    HZ3  TRP  47           HZ3      TRP  47  -4.758  10.433  -0.378
  332    HH2  TRP  47           HH2      TRP  47  -3.700  12.625  -0.156
  333    H    CYS  48           H        CYS  48  -1.041   4.580  -4.041
  334    HA   CYS  48           HA       CYS  48  -0.992   2.728  -1.806
  335   1HB   CYS  48          1HB       CYS  48  -3.070   3.305  -3.226
  336   2HB   CYS  48          2HB       CYS  48  -2.359   2.270  -4.448
  337    H    PHE  49           H        PHE  49   0.845   1.474  -1.697
  338    HA   PHE  49           HA       PHE  49   1.824   0.378  -4.233
  339   1HB   PHE  49          1HB       PHE  49   4.132   0.598  -3.031
  340   2HB   PHE  49          2HB       PHE  49   3.413   2.098  -3.582
  341    HD1  PHE  49           HD1      PHE  49   3.595  -0.073  -0.557
  342    HD2  PHE  49           HD2      PHE  49   3.188   3.861  -2.094
  343    HE1  PHE  49           HE1      PHE  49   3.738   0.852   1.772
  344    HE2  PHE  49           HE2      PHE  49   3.330   4.786   0.235
  345    HZ   PHE  49           HZ       PHE  49   3.603   3.271   2.140
  346    H    LYS  50           H        LYS  50   3.257  -1.610  -3.852
  347    HA   LYS  50           HA       LYS  50   1.826  -3.388  -2.164
  348   1HB   LYS  50          1HB       LYS  50   4.444  -3.922  -3.582
  349   2HB   LYS  50          2HB       LYS  50   3.229  -5.084  -3.089
  350   1HG   LYS  50          1HG       LYS  50   1.586  -3.878  -4.649
  351   2HG   LYS  50          2HG       LYS  50   2.944  -2.945  -5.246
  352   1HD   LYS  50          1HD       LYS  50   2.915  -4.704  -6.787
  353   2HD   LYS  50          2HD       LYS  50   4.075  -5.311  -5.622
  354   1HE   LYS  50          1HE       LYS  50   2.541  -6.848  -4.684
  355   2HE   LYS  50          2HE       LYS  50   1.141  -5.942  -5.223
  356   1HZ   LYS  50          1HZ       LYS  50   2.992  -7.279  -7.068
  357   2HZ   LYS  50          2HZ       LYS  50   1.620  -7.967  -6.511
  358   3HZ   LYS  50          3HZ       LYS  50   1.543  -6.621  -7.433
  359    HA   PRO  51           HA       PRO  51   4.276  -3.281   1.388
  360   1HB   PRO  51          1HB       PRO  51   4.380  -5.883   2.218
  361   2HB   PRO  51          2HB       PRO  51   2.986  -4.852   2.469
  362   1HG   PRO  51          1HG       PRO  51   3.343  -7.043   0.516
  363   2HG   PRO  51          2HG       PRO  51   1.857  -6.298   1.072
  364   1HD   PRO  51          1HD       PRO  51   3.167  -5.848  -1.440
  365   2HD   PRO  51          2HD       PRO  51   1.746  -5.020  -0.836
  366    H    LEU  52           H        LEU  52   6.324  -2.653   1.562
  367    HA   LEU  52           HA       LEU  52   8.301  -3.254  -0.082
  368   1HB   LEU  52          1HB       LEU  52   8.525  -1.662   1.691
  369   2HB   LEU  52          2HB       LEU  52   8.441  -2.915   2.913
  370    HG   LEU  52           HG       LEU  52  10.679  -2.616   0.890
  371   1HD1  LEU  52          1HD1      LEU  52  10.166  -1.080   3.192
  372   2HD1  LEU  52          2HD1      LEU  52  11.470  -2.209   3.631
  373   3HD1  LEU  52          3HD1      LEU  52  11.658  -1.138   2.222
  374   1HD2  LEU  52          1HD2      LEU  52   9.976  -4.712   2.833
  375   2HD2  LEU  52          2HD2      LEU  52  11.020  -4.774   1.393
  376   3HD2  LEU  52          3HD2      LEU  52  11.661  -4.145   2.930
  377    H    GLN  53           H        GLN  53   9.662  -4.919  -0.636
  378    HA   GLN  53           HA       GLN  53   8.866  -7.486   0.027
  379   1HB   GLN  53          1HB       GLN  53  11.126  -8.105  -1.066
  380   2HB   GLN  53          2HB       GLN  53   9.977  -7.218  -2.047
  381   1HG   GLN  53          1HG       GLN  53  11.832  -5.520  -0.435
  382   2HG   GLN  53          2HG       GLN  53  12.603  -6.474  -1.687
  383   2HE2  GLN  53          2HE2      GLN  53  11.548  -3.544  -1.115
  384   1HE2  GLN  53          1HE2      GLN  53  10.933  -3.039  -2.654
  385    H    GLU  54           H        GLU  54   8.797  -7.468   2.401
  386    HA   GLU  54           HA       GLU  54  10.859  -6.857   4.035
  387   1HB   GLU  54          1HB       GLU  54   9.703  -8.047   5.715
  388   2HB   GLU  54          2HB       GLU  54   8.441  -7.624   4.576
  389   1HG   GLU  54          1HG       GLU  54   8.966  -9.954   3.469
  390   2HG   GLU  54          2HG       GLU  54   9.785 -10.318   4.975
  391    H    ALA  55           H        ALA  55  12.950  -7.545   4.092
  392    HA   ALA  55           HA       ALA  55  13.487 -10.373   3.982
  393   1HB   ALA  55          1HB       ALA  55  14.666 -10.452   1.998
  394   2HB   ALA  55          2HB       ALA  55  13.428  -9.250   1.561
  395   3HB   ALA  55          3HB       ALA  55  15.059  -8.717   2.034
  396    H    GLU  56           H        GLU  56  15.936 -10.729   4.365
  397    HA   GLU  56           HA       GLU  56  16.746  -8.677   6.255
  398   1HB   GLU  56          1HB       GLU  56  16.634 -11.508   6.407
  399   2HB   GLU  56          2HB       GLU  56  18.342 -11.120   6.337
  400   1HG   GLU  56          1HG       GLU  56  17.762  -9.291   8.148
  401   2HG   GLU  56          2HG       GLU  56  16.289 -10.211   8.380
  402    H    CYS  57           H        CYS  57  18.085 -10.878   3.692
  403    HA   CYS  57           HA       CYS  57  20.378  -9.093   3.496
  404   1HB   CYS  57          1HB       CYS  57  19.866 -11.943   2.808
  405   2HB   CYS  57          2HB       CYS  57  20.991 -11.064   1.791
  406    H    THR  58           H        THR  58  20.738  -7.856   1.620
  407    HA   THR  58           HA       THR  58  18.500  -7.804  -0.265
  408    HB   THR  58           HB       THR  58  19.477  -5.560  -0.825
  409    HG1  THR  58           HG1      THR  58  21.563  -5.260  -0.135
  410   1HG2  THR  58          1HG2      THR  58  17.958  -5.812   1.243
  411   2HG2  THR  58          2HG2      THR  58  19.447  -5.918   2.212
  412   3HG2  THR  58          3HG2      THR  58  19.086  -4.435   1.295
  413    H    PHE  59           H        PHE  59  19.176  -7.204  -2.607
  414    HA   PHE  59           HA       PHE  59  20.202  -9.310  -3.845
  415   1HB   PHE  59          1HB       PHE  59  19.351  -6.846  -4.572
  416   2HB   PHE  59          2HB       PHE  59  21.067  -6.515  -4.706
  417    HD1  PHE  59           HD1      PHE  59  22.339  -8.589  -6.003
  418    HD2  PHE  59           HD2      PHE  59  18.319  -7.347  -6.559
  419    HE1  PHE  59           HE1      PHE  59  22.351  -9.583  -8.307
  420    HE2  PHE  59           HE2      PHE  59  18.331  -8.341  -8.863
  421    HZ   PHE  59           HZ       PHE  59  20.347  -9.447  -9.710

  No H/Q in entry =         421
  Start of MODEL   34
    1    H    GLU   1           H        GLU   1   5.641  -9.713  23.111
    2    HA   GLU   1           HA       GLU   1   7.154 -10.194  21.569
    3   1HB   GLU   1          1HB       GLU   1   7.368 -12.519  22.945
    4   2HB   GLU   1          2HB       GLU   1   6.654 -13.151  21.475
    5   1HG   GLU   1          1HG       GLU   1   8.836 -13.216  20.757
    6   2HG   GLU   1          2HG       GLU   1   8.546 -11.533  20.366
    7    H    GLU   2           H        GLU   2   5.896  -9.134  20.006
    8    HA   GLU   2           HA       GLU   2   4.587 -10.915  18.177
    9   1HB   GLU   2          1HB       GLU   2   2.488  -9.598  18.107
   10   2HB   GLU   2          2HB       GLU   2   2.736 -10.321  19.683
   11   1HG   GLU   2          1HG       GLU   2   3.124  -8.282  20.724
   12   2HG   GLU   2          2HG       GLU   2   3.884  -7.578  19.310
   13    H    TYR   3           H        TYR   3   4.537 -10.080  16.023
   14    HA   TYR   3           HA       TYR   3   4.965  -7.401  15.380
   15   1HB   TYR   3          1HB       TYR   3   7.211  -8.033  16.463
   16   2HB   TYR   3          2HB       TYR   3   7.389  -9.303  15.269
   17    HD1  TYR   3           HD1      TYR   3   6.600  -5.624  15.248
   18    HD2  TYR   3           HD2      TYR   3   8.861  -8.835  13.550
   19    HE1  TYR   3           HE1      TYR   3   7.748  -3.992  13.673
   20    HE2  TYR   3           HE2      TYR   3  10.002  -7.192  11.981
   21    HH   TYR   3           HH       TYR   3   8.847  -4.195  11.361
   22    H    VAL   4           H        VAL   4   5.712  -7.205  12.971
   23    HA   VAL   4           HA       VAL   4   5.643  -7.892  10.848
   24    HB   VAL   4           HB       VAL   4   4.843 -10.663  11.710
   25   1HG1  VAL   4          1HG1      VAL   4   5.258  -9.494   9.220
   26   2HG1  VAL   4          2HG1      VAL   4   6.777 -10.365   9.541
   27   3HG1  VAL   4          3HG1      VAL   4   5.226 -11.237   9.580
   28   1HG2  VAL   4          1HG2      VAL   4   7.476  -9.287  12.054
   29   2HG2  VAL   4          2HG2      VAL   4   6.702 -10.548  13.044
   30   3HG2  VAL   4          3HG2      VAL   4   7.481 -10.980  11.503
   31    H    GLY   5           H        GLY   5   3.753  -6.339  11.281
   32   1HA   GLY   5          1HA       GLY   5   1.136  -7.623  11.286
   33   2HA   GLY   5          2HA       GLY   5   1.601  -6.812   9.804
   34    H    LEU   6           H        LEU   6   2.971  -5.552  12.785
   35    HA   LEU   6           HA       LEU   6   0.839  -3.602  13.069
   36   1HB   LEU   6          1HB       LEU   6   1.550  -3.298  15.182
   37   2HB   LEU   6          2HB       LEU   6   2.136  -4.930  14.930
   38    HG   LEU   6           HG       LEU   6   3.848  -2.457  14.575
   39   1HD1  LEU   6          1HD1      LEU   6   2.988  -3.830  17.004
   40   2HD1  LEU   6          2HD1      LEU   6   4.759  -3.768  16.834
   41   3HD1  LEU   6          3HD1      LEU   6   3.808  -2.264  16.795
   42   1HD2  LEU   6          1HD2      LEU   6   4.558  -4.487  13.332
   43   2HD2  LEU   6          2HD2      LEU   6   5.724  -3.966  14.572
   44   3HD2  LEU   6          3HD2      LEU   6   4.660  -5.359  14.880
   45    H    SER   7           H        SER   7   1.488  -1.244  13.323
   46    HA   SER   7           HA       SER   7   2.229   0.563  12.373
   47   1HB   SER   7          1HB       SER   7   4.815   0.537  11.832
   48   2HB   SER   7          2HB       SER   7   4.267   0.442  13.494
   49    HG   SER   7           HG       SER   7   5.945  -1.189  12.608
   50    H    ALA   8           H        ALA   8   3.868   1.316  10.300
   51    HA   ALA   8           HA       ALA   8   2.589  -0.015   8.056
   52   1HB   ALA   8          1HB       ALA   8   3.799   2.002   6.880
   53   2HB   ALA   8          2HB       ALA   8   3.987   2.614   8.540
   54   3HB   ALA   8          3HB       ALA   8   2.362   2.303   7.885
   55    H    ASN   9           H        ASN   9   4.515  -1.602   9.450
   56    HA   ASN   9           HA       ASN   9   7.069  -1.418   8.562
   57   1HB   ASN   9          1HB       ASN   9   5.310  -3.839   9.169
   58   2HB   ASN   9          2HB       ASN   9   7.007  -4.027   8.773
   59   2HD2  ASN   9          2HD2      ASN   9   5.297  -4.389  11.251
   60   1HD2  ASN   9          1HD2      ASN   9   6.151  -3.578  12.521
   61    H    GLN  10           H        GLN  10   4.362  -3.439   7.170
   62    HA   GLN  10           HA       GLN  10   5.793  -4.234   4.937
   63   1HB   GLN  10          1HB       GLN  10   3.446  -4.739   4.011
   64   2HB   GLN  10          2HB       GLN  10   3.876  -5.512   5.524
   65   1HG   GLN  10          1HG       GLN  10   2.748  -2.944   6.171
   66   2HG   GLN  10          2HG       GLN  10   1.691  -3.692   4.990
   67   2HE2  GLN  10          2HE2      GLN  10   2.761  -3.624   8.211
   68   1HE2  GLN  10          1HE2      GLN  10   1.871  -4.969   8.842
   69    H    CYS  11           H        CYS  11   4.151  -1.234   5.737
   70    HA   CYS  11           HA       CYS  11   4.463  -0.385   2.949
   71   1HB   CYS  11          1HB       CYS  11   2.750   1.228   4.737
   72   2HB   CYS  11          2HB       CYS  11   2.564   0.833   3.040
   73    H    ALA  12           H        ALA  12   6.747  -0.486   4.523
   74    HA   ALA  12           HA       ALA  12   7.071   2.287   5.444
   75   1HB   ALA  12          1HB       ALA  12   9.103   1.195   6.646
   76   2HB   ALA  12          2HB       ALA  12   7.474   0.886   7.294
   77   3HB   ALA  12          3HB       ALA  12   8.287  -0.349   6.302
   78    H    VAL  13           H        VAL  13   7.071   1.926   2.706
   79    HA   VAL  13           HA       VAL  13   9.812   1.477   1.884
   80    HB   VAL  13           HB       VAL  13   7.827   2.490  -0.044
   81   1HG1  VAL  13          1HG1      VAL  13  10.103   0.633   0.083
   82   2HG1  VAL  13          2HG1      VAL  13   8.752   0.044  -0.916
   83   3HG1  VAL  13          3HG1      VAL  13   9.499   1.621  -1.269
   84   1HG2  VAL  13          1HG2      VAL  13   7.296   0.059   1.640
   85   2HG2  VAL  13          2HG2      VAL  13   6.165   1.284   1.018
   86   3HG2  VAL  13          3HG2      VAL  13   6.835   0.053  -0.080
   87    HA   PRO  14           HA       PRO  14  10.832   5.677   1.926
   88   1HB   PRO  14          1HB       PRO  14  12.941   5.714   0.188
   89   2HB   PRO  14          2HB       PRO  14  13.084   5.202   1.858
   90   1HG   PRO  14          1HG       PRO  14  13.047   3.547  -0.591
   91   2HG   PRO  14          2HG       PRO  14  13.604   3.119   1.014
   92   1HD   PRO  14          1HD       PRO  14  11.131   2.336  -0.209
   93   2HD   PRO  14          2HD       PRO  14  11.637   2.006   1.436
   94    H    ALA  15           H        ALA  15   9.224   4.280  -0.506
   95    HA   ALA  15           HA       ALA  15   7.798   5.320  -1.916
   96   1HB   ALA  15          1HB       ALA  15   9.349   7.873  -2.062
   97   2HB   ALA  15          2HB       ALA  15   7.590   7.606  -2.001
   98   3HB   ALA  15          3HB       ALA  15   8.560   7.490  -0.513
   99    H    LYS  16           H        LYS  16  11.274   5.181  -2.064
  100    HA   LYS  16           HA       LYS  16  11.265   5.469  -4.961
  101   1HB   LYS  16          1HB       LYS  16  13.715   5.385  -4.734
  102   2HB   LYS  16          2HB       LYS  16  12.998   6.661  -3.770
  103   1HG   LYS  16          1HG       LYS  16  14.669   5.527  -2.406
  104   2HG   LYS  16          2HG       LYS  16  13.086   5.154  -1.752
  105   1HD   LYS  16          1HD       LYS  16  13.135   2.930  -2.508
  106   2HD   LYS  16          2HD       LYS  16  14.231   3.287  -3.828
  107   1HE   LYS  16          1HE       LYS  16  16.110   3.576  -2.245
  108   2HE   LYS  16          2HE       LYS  16  15.032   3.362  -0.880
  109   1HZ   LYS  16          1HZ       LYS  16  14.528   1.168  -2.247
  110   2HZ   LYS  16          2HZ       LYS  16  16.084   1.393  -2.688
  111   3HZ   LYS  16          3HZ       LYS  16  15.695   1.256  -1.108
  112    H    ASP  17           H        ASP  17  10.160   3.162  -3.053
  113    HA   ASP  17           HA       ASP  17  11.330   1.088  -4.723
  114   1HB   ASP  17          1HB       ASP  17  11.507   1.341  -1.849
  115   2HB   ASP  17          2HB       ASP  17  10.479  -0.033  -2.202
  116    H    ARG  18           H        ARG  18   8.739   2.867  -4.454
  117    HA   ARG  18           HA       ARG  18   6.734   1.020  -3.721
  118   1HB   ARG  18          1HB       ARG  18   6.344   3.552  -5.379
  119   2HB   ARG  18          2HB       ARG  18   5.174   2.780  -4.327
  120   1HG   ARG  18          1HG       ARG  18   7.797   4.016  -3.362
  121   2HG   ARG  18          2HG       ARG  18   6.248   4.835  -3.318
  122   1HD   ARG  18          1HD       ARG  18   5.431   2.699  -1.986
  123   2HD   ARG  18          2HD       ARG  18   7.140   2.408  -1.728
  124    HE   ARG  18           HE       ARG  18   7.097   4.099  -0.131
  125   1HH1  ARG  18          1HH1      ARG  18   4.566   4.744  -2.489
  126   2HH1  ARG  18          2HH1      ARG  18   3.990   6.159  -1.673
  127   1HH2  ARG  18          1HH2      ARG  18   6.337   5.966   0.946
  128   2HH2  ARG  18          2HH2      ARG  18   5.004   6.859   0.294
  129    H    VAL  19           H        VAL  19   6.173  -0.714  -5.002
  130    HA   VAL  19           HA       VAL  19   6.842  -0.708  -7.787
  131    HB   VAL  19           HB       VAL  19   5.361  -2.688  -6.045
  132   1HG1  VAL  19          1HG1      VAL  19   6.243  -2.765  -8.920
  133   2HG1  VAL  19          2HG1      VAL  19   6.208  -4.263  -7.960
  134   3HG1  VAL  19          3HG1      VAL  19   4.718  -3.315  -8.184
  135   1HG2  VAL  19          1HG2      VAL  19   7.871  -2.038  -5.608
  136   2HG2  VAL  19          2HG2      VAL  19   7.371  -3.747  -5.606
  137   3HG2  VAL  19          3HG2      VAL  19   8.173  -3.056  -7.037
  138    H    ASP  20           H        ASP  20   4.375   0.708  -6.005
  139    HA   ASP  20           HA       ASP  20   2.437   1.542  -6.497
  140   1HB   ASP  20          1HB       ASP  20   3.339   2.593  -8.437
  141   2HB   ASP  20          2HB       ASP  20   3.513   1.074  -9.293
  142    H    CYS  21           H        CYS  21   0.589   0.370  -5.962
  143    HA   CYS  21           HA       CYS  21   0.274  -2.274  -7.052
  144   1HB   CYS  21          1HB       CYS  21  -0.360  -1.059  -4.630
  145   2HB   CYS  21          2HB       CYS  21  -1.916  -1.285  -5.404
  146    H    GLY  22           H        GLY  22  -0.833   1.026  -7.553
  147   1HA   GLY  22          1HA       GLY  22  -2.203   0.353  -9.943
  148   2HA   GLY  22          2HA       GLY  22  -2.136   1.919  -9.160
  149    H    TYR  23           H        TYR  23  -3.854   2.637  -7.868
  150    HA   TYR  23           HA       TYR  23  -6.231   0.961  -8.000
  151   1HB   TYR  23          1HB       TYR  23  -4.672   1.947  -5.575
  152   2HB   TYR  23          2HB       TYR  23  -6.419   1.924  -5.448
  153    HD1  TYR  23           HD1      TYR  23  -3.399  -0.162  -5.818
  154    HD2  TYR  23           HD2      TYR  23  -7.644  -0.165  -5.292
  155    HE1  TYR  23           HE1      TYR  23  -3.329  -2.630  -5.212
  156    HE2  TYR  23           HE2      TYR  23  -7.561  -2.633  -4.687
  157    HH   TYR  23           HH       TYR  23  -5.070  -4.153  -3.667
  158    HA   PRO  24           HA       PRO  24  -8.002   4.846  -8.719
  159   1HB   PRO  24          1HB       PRO  24 -10.649   4.258  -8.374
  160   2HB   PRO  24          2HB       PRO  24  -9.773   3.904  -9.850
  161   1HG   PRO  24          1HG       PRO  24 -10.638   2.049  -7.718
  162   2HG   PRO  24          2HG       PRO  24 -10.155   1.683  -9.362
  163   1HD   PRO  24          1HD       PRO  24  -8.585   1.313  -6.990
  164   2HD   PRO  24          2HD       PRO  24  -8.063   1.057  -8.643
  165    H    HIS  25           H        HIS  25 -10.210   3.632  -6.269
  166    HA   HIS  25           HA       HIS  25  -9.854   6.128  -4.876
  167   1HB   HIS  25          1HB       HIS  25 -11.733   5.414  -3.532
  168   2HB   HIS  25          2HB       HIS  25 -12.098   5.218  -5.235
  169    HD1  HIS  25           HD1      HIS  25 -13.906   3.587  -3.673
  170    HD2  HIS  25           HD2      HIS  25 -10.035   2.209  -4.517
  171    HE1  HIS  25           HE1      HIS  25 -13.972   1.051  -3.391
  172    HE2  HIS  25           HE2      HIS  25 -11.580   0.257  -3.976
  173    H    VAL  26           H        VAL  26  -7.622   5.896  -4.210
  174    HA   VAL  26           HA       VAL  26  -7.101   3.712  -2.354
  175    HB   VAL  26           HB       VAL  26  -4.775   4.565  -2.476
  176   1HG1  VAL  26          1HG1      VAL  26  -6.151   3.884  -5.094
  177   2HG1  VAL  26          2HG1      VAL  26  -4.387   3.877  -4.854
  178   3HG1  VAL  26          3HG1      VAL  26  -5.416   2.755  -3.931
  179   1HG2  VAL  26          1HG2      VAL  26  -5.619   6.945  -3.112
  180   2HG2  VAL  26          2HG2      VAL  26  -4.107   6.340  -3.830
  181   3HG2  VAL  26          3HG2      VAL  26  -5.614   6.320  -4.778
  182    H    THR  27           H        THR  27  -6.764   4.002  -0.154
  183    HA   THR  27           HA       THR  27  -6.580   6.683   0.907
  184    HB   THR  27           HB       THR  27  -8.680   6.700   2.020
  185    HG1  THR  27           HG1      THR  27  -9.784   4.648   2.338
  186   1HG2  THR  27          1HG2      THR  27  -9.190   5.093  -0.539
  187   2HG2  THR  27          2HG2      THR  27 -10.439   5.945   0.399
  188   3HG2  THR  27          3HG2      THR  27  -9.158   6.869  -0.423
  189    HA   PRO  28           HA       PRO  28  -4.518   4.644   4.071
  190   1HB   PRO  28          1HB       PRO  28  -5.141   6.037   6.338
  191   2HB   PRO  28          2HB       PRO  28  -3.977   6.601   5.156
  192   1HG   PRO  28          1HG       PRO  28  -6.738   7.543   5.634
  193   2HG   PRO  28          2HG       PRO  28  -5.437   8.347   4.779
  194   1HD   PRO  28          1HD       PRO  28  -7.685   7.003   3.610
  195   2HD   PRO  28          2HD       PRO  28  -6.325   7.706   2.758
  196    H    LYS  29           H        LYS  29  -6.902   3.339   3.313
  197    HA   LYS  29           HA       LYS  29  -7.063   1.504   5.384
  198   1HB   LYS  29          1HB       LYS  29  -8.270   3.614   6.374
  199   2HB   LYS  29          2HB       LYS  29  -9.602   3.113   5.352
  200   1HG   LYS  29          1HG       LYS  29  -8.222   1.114   7.178
  201   2HG   LYS  29          2HG       LYS  29  -9.468   2.177   7.803
  202   1HD   LYS  29          1HD       LYS  29 -10.880   1.330   5.732
  203   2HD   LYS  29          2HD       LYS  29  -9.719   0.019   5.686
  204   1HE   LYS  29          1HE       LYS  29 -10.220  -0.333   8.201
  205   2HE   LYS  29          2HE       LYS  29 -11.567   0.768   7.992
  206   1HZ   LYS  29          1HZ       LYS  29 -11.800  -0.980   5.937
  207   2HZ   LYS  29          2HZ       LYS  29 -11.337  -1.928   7.184
  208   3HZ   LYS  29          3HZ       LYS  29 -12.674  -1.000   7.317
  209    H    GLU  30           H        GLU  30  -8.674   3.186   2.655
  210    HA   GLU  30           HA       GLU  30 -10.094   0.839   1.919
  211   1HB   GLU  30          1HB       GLU  30 -10.860   3.222   1.487
  212   2HB   GLU  30          2HB       GLU  30  -9.599   3.360   0.278
  213   1HG   GLU  30          1HG       GLU  30 -10.861   2.268  -1.259
  214   2HG   GLU  30          2HG       GLU  30 -11.088   0.905  -0.181
  215    H    CYS  31           H        CYS  31  -7.088   2.535   0.918
  216    HA   CYS  31           HA       CYS  31  -6.646   0.862  -1.320
  217   1HB   CYS  31          1HB       CYS  31  -5.566   2.856  -1.564
  218   2HB   CYS  31          2HB       CYS  31  -5.136   2.975   0.131
  219    H    ASN  32           H        ASN  32  -6.063   0.729   2.167
  220    HA   ASN  32           HA       ASN  32  -4.220  -1.467   1.822
  221   1HB   ASN  32          1HB       ASN  32  -3.463  -0.942   3.941
  222   2HB   ASN  32          2HB       ASN  32  -4.288   0.578   3.662
  223   2HD2  ASN  32          2HD2      ASN  32  -3.780  -1.469   5.969
  224   1HD2  ASN  32          1HD2      ASN  32  -5.295  -1.532   6.807
  225    H    ASN  33           H        ASN  33  -7.479  -1.079   1.652
  226    HA   ASN  33           HA       ASN  33  -8.105  -3.330   3.373
  227   1HB   ASN  33          1HB       ASN  33  -9.659  -1.560   3.771
  228   2HB   ASN  33          2HB       ASN  33  -9.741  -1.120   2.077
  229   2HD2  ASN  33          2HD2      ASN  33 -12.021  -1.192   2.301
  230   1HD2  ASN  33          1HD2      ASN  33 -12.893  -2.687   2.225
  231    H    ARG  34           H        ARG  34  -8.323  -2.020   0.010
  232    HA   ARG  34           HA       ARG  34  -9.746  -4.055  -1.121
  233   1HB   ARG  34          1HB       ARG  34  -8.597  -1.734  -2.025
  234   2HB   ARG  34          2HB       ARG  34  -7.502  -2.896  -2.744
  235   1HG   ARG  34          1HG       ARG  34 -10.543  -2.939  -3.050
  236   2HG   ARG  34          2HG       ARG  34  -9.424  -2.326  -4.251
  237   1HD   ARG  34          1HD       ARG  34  -8.347  -4.596  -4.388
  238   2HD   ARG  34          2HD       ARG  34  -9.498  -5.202  -3.213
  239    HE   ARG  34           HE       ARG  34 -11.234  -5.080  -4.841
  240   1HH1  ARG  34          1HH1      ARG  34  -8.213  -3.774  -6.085
  241   2HH1  ARG  34          2HH1      ARG  34  -8.743  -3.773  -7.734
  242   1HH2  ARG  34          1HH2      ARG  34 -11.935  -5.079  -7.016
  243   2HH2  ARG  34          2HH2      ARG  34 -10.875  -4.520  -8.267
  244    H    GLY  35           H        GLY  35  -6.273  -3.797  -0.290
  245   1HA   GLY  35          1HA       GLY  35  -5.807  -6.481  -1.430
  246   2HA   GLY  35          2HA       GLY  35  -5.407  -6.120   0.238
  247    H    CYS  36           H        CYS  36  -3.906  -4.182   0.624
  248    HA   CYS  36           HA       CYS  36  -1.527  -4.547  -0.601
  249   1HB   CYS  36          1HB       CYS  36  -3.238  -3.187  -2.408
  250   2HB   CYS  36          2HB       CYS  36  -2.073  -2.011  -1.830
  251    H    CYS  37           H        CYS  37  -0.581  -1.774  -0.656
  252    HA   CYS  37           HA       CYS  37  -1.221  -1.005   2.100
  253   1HB   CYS  37          1HB       CYS  37   1.391  -1.275   0.688
  254   2HB   CYS  37          2HB       CYS  37   1.215   0.046   1.826
  255    H    PHE  38           H        PHE  38  -1.135   1.366   2.497
  256    HA   PHE  38           HA       PHE  38  -1.506   2.882   0.009
  257   1HB   PHE  38          1HB       PHE  38  -3.626   2.571   1.249
  258   2HB   PHE  38          2HB       PHE  38  -2.849   2.961   2.770
  259    HD1  PHE  38           HD1      PHE  38  -4.023   4.378  -0.427
  260    HD2  PHE  38           HD2      PHE  38  -2.599   5.219   3.481
  261    HE1  PHE  38           HE1      PHE  38  -4.693   6.782  -0.700
  262    HE2  PHE  38           HE2      PHE  38  -3.269   7.622   3.208
  263    HZ   PHE  38           HZ       PHE  38  -4.308   8.375   1.121
  264    H    ASP  39           H        ASP  39  -1.351   5.400   0.585
  265    HA   ASP  39           HA       ASP  39   0.268   6.144   2.703
  266   1HB   ASP  39          1HB       ASP  39   2.120   5.028   1.650
  267   2HB   ASP  39          2HB       ASP  39   1.659   5.593   0.057
  268    H    SER  40           H        SER  40   0.465   8.496   2.709
  269    HA   SER  40           HA       SER  40  -0.511   9.798   0.302
  270   1HB   SER  40          1HB       SER  40  -1.972  11.267   1.638
  271   2HB   SER  40          2HB       SER  40  -2.433   9.589   1.843
  272    HG   SER  40           HG       SER  40  -1.645  11.394   3.742
  273    H    ARG  41           H        ARG  41   2.099   9.338   2.034
  274    HA   ARG  41           HA       ARG  41   2.793  11.727   3.180
  275   1HB   ARG  41          1HB       ARG  41   3.988   9.301   2.962
  276   2HB   ARG  41          2HB       ARG  41   4.910  10.142   1.731
  277   1HG   ARG  41          1HG       ARG  41   4.788  11.936   3.939
  278   2HG   ARG  41          2HG       ARG  41   5.099  10.360   4.639
  279   1HD   ARG  41          1HD       ARG  41   6.695  11.038   2.192
  280   2HD   ARG  41          2HD       ARG  41   7.065  11.972   3.628
  281    HE   ARG  41           HE       ARG  41   6.951   9.305   4.499
  282   1HH1  ARG  41          1HH1      ARG  41   8.838  11.142   2.165
  283   2HH1  ARG  41          2HH1      ARG  41  10.237  10.132   2.310
  284   1HH2  ARG  41          1HH2      ARG  41   8.797   7.973   4.691
  285   2HH2  ARG  41          2HH2      ARG  41  10.214   8.317   3.757
  286    H    ILE  42           H        ILE  42   3.425  10.471  -0.173
  287    HA   ILE  42           HA       ILE  42   3.514  13.227  -1.097
  288    HB   ILE  42           HB       ILE  42   5.559  12.130  -2.536
  289   1HG1  ILE  42          1HG1      ILE  42   7.144  11.185  -0.881
  290   2HG1  ILE  42          2HG1      ILE  42   5.871  11.169   0.324
  291   1HG2  ILE  42          1HG2      ILE  42   5.379  13.998  -0.206
  292   2HG2  ILE  42          2HG2      ILE  42   6.984  13.507  -0.799
  293   3HG2  ILE  42          3HG2      ILE  42   5.838  14.312  -1.897
  294   1HD1  ILE  42          1HD1      ILE  42   5.063   9.893  -2.221
  295   2HD1  ILE  42          2HD1      ILE  42   6.439   9.093  -1.427
  296   3HD1  ILE  42          3HD1      ILE  42   4.903   9.299  -0.551
  297    HA   PRO  43           HA       PRO  43   1.155  11.314  -4.183
  298   1HB   PRO  43          1HB       PRO  43   0.885  13.429  -5.892
  299   2HB   PRO  43          2HB       PRO  43  -0.118  13.211  -4.472
  300   1HG   PRO  43          1HG       PRO  43   2.114  15.103  -4.892
  301   2HG   PRO  43          2HG       PRO  43   0.848  15.150  -3.680
  302   1HD   PRO  43          1HD       PRO  43   3.572  14.342  -3.286
  303   2HD   PRO  43          2HD       PRO  43   2.279  14.279  -2.105
  304    H    GLY  44           H        GLY  44   4.056  13.048  -5.068
  305   1HA   GLY  44          1HA       GLY  44   5.748  12.324  -6.400
  306   2HA   GLY  44          2HA       GLY  44   4.492  12.393  -7.620
  307    H    VAL  45           H        VAL  45   4.917  10.134  -4.811
  308    HA   VAL  45           HA       VAL  45   5.520   7.980  -6.654
  309    HB   VAL  45           HB       VAL  45   6.340   6.857  -4.850
  310   1HG1  VAL  45          1HG1      VAL  45   7.184   9.390  -5.081
  311   2HG1  VAL  45          2HG1      VAL  45   6.574   9.459  -3.410
  312   3HG1  VAL  45          3HG1      VAL  45   7.826   8.274  -3.852
  313   1HG2  VAL  45          1HG2      VAL  45   4.320   8.335  -3.140
  314   2HG2  VAL  45          2HG2      VAL  45   4.354   6.603  -3.548
  315   3HG2  VAL  45          3HG2      VAL  45   5.595   7.288  -2.472
  316    HA   PRO  46           HA       PRO  46   1.588   6.185  -6.523
  317   1HB   PRO  46          1HB       PRO  46   2.027   3.503  -6.238
  318   2HB   PRO  46          2HB       PRO  46   2.231   4.351  -7.758
  319   1HG   PRO  46          1HG       PRO  46   4.302   3.353  -5.900
  320   2HG   PRO  46          2HG       PRO  46   4.465   3.808  -7.585
  321   1HD   PRO  46          1HD       PRO  46   5.279   5.346  -5.305
  322   2HD   PRO  46          2HD       PRO  46   5.336   5.849  -6.983
  323    H    TRP  47           H        TRP  47   0.687   7.254  -4.742
  324    HA   TRP  47           HA       TRP  47   0.982   6.877  -2.179
  325   1HB   TRP  47          1HB       TRP  47  -1.470   7.172  -3.836
  326   2HB   TRP  47          2HB       TRP  47  -1.691   6.765  -2.145
  327    HD1  TRP  47           HD1      TRP  47   1.226   9.085  -3.079
  328    HE1  TRP  47           HE1      TRP  47   0.833  11.537  -2.185
  329    HE3  TRP  47           HE3      TRP  47  -3.577   8.334  -1.588
  330    HZ2  TRP  47           HZ2      TRP  47  -1.392  12.857  -0.981
  331    HZ3  TRP  47           HZ3      TRP  47  -4.789  10.256  -0.564
  332    HH2  TRP  47           HH2      TRP  47  -3.773  12.457  -0.251
  333    H    CYS  48           H        CYS  48  -1.054   4.618  -4.188
  334    HA   CYS  48           HA       CYS  48  -0.938   2.690  -2.039
  335   1HB   CYS  48          1HB       CYS  48  -2.989   3.302  -3.530
  336   2HB   CYS  48          2HB       CYS  48  -2.254   2.220  -4.696
  337    H    PHE  49           H        PHE  49   0.766   1.270  -1.950
  338    HA   PHE  49           HA       PHE  49   1.819   0.288  -4.489
  339   1HB   PHE  49          1HB       PHE  49   4.130   0.520  -3.293
  340   2HB   PHE  49          2HB       PHE  49   3.400   2.016  -3.841
  341    HD1  PHE  49           HD1      PHE  49   3.648  -0.152  -0.822
  342    HD2  PHE  49           HD2      PHE  49   3.124   3.773  -2.347
  343    HE1  PHE  49           HE1      PHE  49   3.790   0.771   1.507
  344    HE2  PHE  49           HE2      PHE  49   3.267   4.697  -0.018
  345    HZ   PHE  49           HZ       PHE  49   3.598   3.185   1.882
  346    H    LYS  50           H        LYS  50   3.263  -1.692  -4.126
  347    HA   LYS  50           HA       LYS  50   1.850  -3.521  -2.515
  348   1HB   LYS  50          1HB       LYS  50   4.485  -3.740  -3.998
  349   2HB   LYS  50          2HB       LYS  50   3.680  -5.087  -3.218
  350   1HG   LYS  50          1HG       LYS  50   1.591  -4.084  -4.683
  351   2HG   LYS  50          2HG       LYS  50   2.928  -3.607  -5.710
  352   1HD   LYS  50          1HD       LYS  50   3.507  -6.280  -4.927
  353   2HD   LYS  50          2HD       LYS  50   1.791  -6.268  -5.285
  354   1HE   LYS  50          1HE       LYS  50   2.891  -4.749  -7.377
  355   2HE   LYS  50          2HE       LYS  50   4.088  -6.004  -7.123
  356   1HZ   LYS  50          1HZ       LYS  50   1.214  -6.487  -7.507
  357   2HZ   LYS  50          2HZ       LYS  50   2.362  -6.679  -8.652
  358   3HZ   LYS  50          3HZ       LYS  50   2.358  -7.638  -7.331
  359    HA   PRO  51           HA       PRO  51   4.022  -3.330   1.208
  360   1HB   PRO  51          1HB       PRO  51   4.103  -5.926   2.059
  361   2HB   PRO  51          2HB       PRO  51   2.679  -4.915   2.202
  362   1HG   PRO  51          1HG       PRO  51   3.210  -7.110   0.294
  363   2HG   PRO  51          2HG       PRO  51   1.677  -6.385   0.735
  364   1HD   PRO  51          1HD       PRO  51   3.160  -5.928  -1.677
  365   2HD   PRO  51          2HD       PRO  51   1.687  -5.118  -1.184
  366    H    LEU  52           H        LEU  52   6.042  -2.693   1.570
  367    HA   LEU  52           HA       LEU  52   8.149  -3.229   0.080
  368   1HB   LEU  52          1HB       LEU  52   8.223  -1.692   1.909
  369   2HB   LEU  52          2HB       LEU  52   8.044  -2.980   3.084
  370    HG   LEU  52           HG       LEU  52  10.442  -2.607   1.268
  371   1HD1  LEU  52          1HD1      LEU  52   9.853  -0.952   3.286
  372   2HD1  LEU  52          2HD1      LEU  52  10.650  -2.247   4.212
  373   3HD1  LEU  52          3HD1      LEU  52  11.518  -1.439   2.886
  374   1HD2  LEU  52          1HD2      LEU  52   9.600  -4.768   3.091
  375   2HD2  LEU  52          2HD2      LEU  52  10.725  -4.790   1.712
  376   3HD2  LEU  52          3HD2      LEU  52  11.277  -4.208   3.301
  377    H    GLN  53           H        GLN  53   9.489  -4.888  -0.486
  378    HA   GLN  53           HA       GLN  53   8.692  -7.475   0.208
  379   1HB   GLN  53          1HB       GLN  53  10.800  -8.134  -1.058
  380   2HB   GLN  53          2HB       GLN  53   9.682  -7.121  -1.950
  381   1HG   GLN  53          1HG       GLN  53  11.661  -5.571  -0.376
  382   2HG   GLN  53          2HG       GLN  53  12.398  -6.603  -1.586
  383   2HE2  GLN  53          2HE2      GLN  53  11.197  -3.622  -1.019
  384   1HE2  GLN  53          1HE2      GLN  53  10.762  -3.111  -2.616
  385    H    GLU  54           H        GLU  54   8.807  -7.020   2.654
  386    HA   GLU  54           HA       GLU  54  11.020  -6.529   4.055
  387   1HB   GLU  54          1HB       GLU  54   9.930  -7.493   5.906
  388   2HB   GLU  54          2HB       GLU  54   8.602  -7.108   4.828
  389   1HG   GLU  54          1HG       GLU  54   8.827  -9.519   3.913
  390   2HG   GLU  54          2HG       GLU  54   9.896  -9.833   5.266
  391    H    ALA  55           H        ALA  55  13.061  -7.356   4.025
  392    HA   ALA  55           HA       ALA  55  13.480 -10.160   4.226
  393   1HB   ALA  55          1HB       ALA  55  13.144 -10.325   1.903
  394   2HB   ALA  55          2HB       ALA  55  14.909 -10.144   2.047
  395   3HB   ALA  55          3HB       ALA  55  13.906  -8.748   1.584
  396    H    GLU  56           H        GLU  56  15.102  -7.159   2.949
  397    HA   GLU  56           HA       GLU  56  16.589  -6.771   5.238
  398   1HB   GLU  56          1HB       GLU  56  17.661  -8.844   3.514
  399   2HB   GLU  56          2HB       GLU  56  18.764  -7.482   3.524
  400   1HG   GLU  56          1HG       GLU  56  19.345  -7.798   5.721
  401   2HG   GLU  56          2HG       GLU  56  17.697  -8.140   6.212
  402    H    CYS  57           H        CYS  57  17.374  -4.676   5.164
  403    HA   CYS  57           HA       CYS  57  16.678  -3.026   3.099
  404   1HB   CYS  57          1HB       CYS  57  18.488  -1.488   4.126
  405   2HB   CYS  57          2HB       CYS  57  17.070  -1.918   5.061
  406    H    THR  58           H        THR  58  20.027  -4.192   3.959
  407    HA   THR  58           HA       THR  58  21.900  -4.247   2.724
  408    HB   THR  58           HB       THR  58  20.145  -6.197   1.986
  409    HG1  THR  58           HG1      THR  58  22.306  -6.753   1.907
  410   1HG2  THR  58          1HG2      THR  58  19.685  -4.453  -0.088
  411   2HG2  THR  58          2HG2      THR  58  21.102  -5.328  -0.717
  412   3HG2  THR  58          3HG2      THR  58  19.628  -6.222  -0.274
  413    H    PHE  59           H        PHE  59  22.519  -4.078   0.022
  414    HA   PHE  59           HA       PHE  59  23.224  -2.425  -1.300
  415   1HB   PHE  59          1HB       PHE  59  21.077  -3.180  -2.322
  416   2HB   PHE  59          2HB       PHE  59  20.163  -2.135  -1.254
  417    HD1  PHE  59           HD1      PHE  59  23.037  -1.704  -3.613
  418    HD2  PHE  59           HD2      PHE  59  19.253  -0.306  -2.297
  419    HE1  PHE  59           HE1      PHE  59  23.113   0.121  -5.334
  420    HE2  PHE  59           HE2      PHE  59  19.329   1.520  -4.018
  421    HZ   PHE  59           HZ       PHE  59  21.258   1.711  -5.516

  No H/Q in entry =         421
  Start of MODEL   35
    1    H    GLU   1           H        GLU   1   4.756 -11.574  21.675
    2    HA   GLU   1           HA       GLU   1   6.209 -10.868  23.241
    3   1HB   GLU   1          1HB       GLU   1   7.388 -13.383  22.751
    4   2HB   GLU   1          2HB       GLU   1   8.672 -12.235  22.429
    5   1HG   GLU   1          1HG       GLU   1   7.007 -11.812  24.907
    6   2HG   GLU   1          2HG       GLU   1   8.158 -13.133  24.917
    7    H    GLU   2           H        GLU   2   7.898 -11.798  20.150
    8    HA   GLU   2           HA       GLU   2   9.141  -9.249  20.038
    9   1HB   GLU   2          1HB       GLU   2   9.263 -11.810  18.562
   10   2HB   GLU   2          2HB       GLU   2   9.478 -10.411  17.529
   11   1HG   GLU   2          1HG       GLU   2  11.434  -9.716  18.626
   12   2HG   GLU   2          2HG       GLU   2  10.985 -10.473  20.142
   13    H    TYR   3           H        TYR   3   8.996  -7.952  17.856
   14    HA   TYR   3           HA       TYR   3   6.204  -7.327  17.497
   15   1HB   TYR   3          1HB       TYR   3   8.682  -6.001  17.530
   16   2HB   TYR   3          2HB       TYR   3   8.384  -6.122  15.808
   17    HD1  TYR   3           HD1      TYR   3   6.662  -5.057  18.966
   18    HD2  TYR   3           HD2      TYR   3   7.134  -4.459  14.756
   19    HE1  TYR   3           HE1      TYR   3   5.149  -3.017  19.079
   20    HE2  TYR   3           HE2      TYR   3   5.619  -2.422  14.883
   21    HH   TYR   3           HH       TYR   3   4.845  -0.850  16.420
   22    H    VAL   4           H        VAL   4   5.811  -6.547  14.978
   23    HA   VAL   4           HA       VAL   4   6.687  -8.735  13.251
   24    HB   VAL   4           HB       VAL   4   4.416  -9.068  12.454
   25   1HG1  VAL   4          1HG1      VAL   4   5.486 -10.042  14.781
   26   2HG1  VAL   4          2HG1      VAL   4   3.918  -9.414  15.341
   27   3HG1  VAL   4          3HG1      VAL   4   3.978 -10.618  14.031
   28   1HG2  VAL   4          1HG2      VAL   4   3.855  -6.596  13.505
   29   2HG2  VAL   4          2HG2      VAL   4   2.640  -7.781  12.968
   30   3HG2  VAL   4          3HG2      VAL   4   3.085  -7.680  14.689
   31    H    GLY   5           H        GLY   5   4.330  -7.413  11.510
   32   1HA   GLY   5          1HA       GLY   5   5.816  -6.054   9.708
   33   2HA   GLY   5          2HA       GLY   5   5.457  -4.824  10.904
   34    H    LEU   6           H        LEU   6   2.835  -6.132  11.675
   35    HA   LEU   6           HA       LEU   6   1.084  -6.621   9.727
   36   1HB   LEU   6          1HB       LEU   6   0.963  -5.955  12.386
   37   2HB   LEU   6          2HB       LEU   6   0.074  -4.640  11.642
   38    HG   LEU   6           HG       LEU   6  -0.658  -7.351  10.696
   39   1HD1  LEU   6          1HD1      LEU   6  -0.189  -7.546  13.216
   40   2HD1  LEU   6          2HD1      LEU   6  -1.632  -6.526  13.426
   41   3HD1  LEU   6          3HD1      LEU   6  -1.767  -8.102  12.609
   42   1HD2  LEU   6          1HD2      LEU   6  -1.825  -4.700  10.933
   43   2HD2  LEU   6          2HD2      LEU   6  -2.286  -6.068   9.891
   44   3HD2  LEU   6          3HD2      LEU   6  -2.915  -5.963  11.553
   45    H    SER   7           H        SER   7   1.692  -3.227  10.890
   46    HA   SER   7           HA       SER   7   1.295  -2.419   8.122
   47   1HB   SER   7          1HB       SER   7  -0.014  -0.477   8.852
   48   2HB   SER   7          2HB       SER   7  -0.778  -1.952   9.409
   49    HG   SER   7           HG       SER   7  -0.713  -1.038  11.343
   50    H    ALA   8           H        ALA   8   2.305  -0.246   7.633
   51    HA   ALA   8           HA       ALA   8   3.837   1.367   7.902
   52   1HB   ALA   8          1HB       ALA   8   4.481   2.037   9.985
   53   2HB   ALA   8          2HB       ALA   8   4.951   0.394  10.483
   54   3HB   ALA   8          3HB       ALA   8   3.238   0.878  10.513
   55    H    ASN   9           H        ASN   9   5.269  -1.454   9.693
   56    HA   ASN   9           HA       ASN   9   7.706  -1.307   8.536
   57   1HB   ASN   9          1HB       ASN   9   6.634  -2.919  10.403
   58   2HB   ASN   9          2HB       ASN   9   6.491  -4.035   9.059
   59   2HD2  ASN   9          2HD2      ASN   9   8.637  -2.262  11.140
   60   1HD2  ASN   9          1HD2      ASN   9  10.112  -3.078  10.743
   61    H    GLN  10           H        GLN  10   4.682  -2.901   7.403
   62    HA   GLN  10           HA       GLN  10   5.973  -4.155   5.209
   63   1HB   GLN  10          1HB       GLN  10   3.675  -4.673   6.549
   64   2HB   GLN  10          2HB       GLN  10   3.000  -3.745   5.225
   65   1HG   GLN  10          1HG       GLN  10   3.052  -5.671   4.017
   66   2HG   GLN  10          2HG       GLN  10   4.787  -5.442   3.911
   67   2HE2  GLN  10          2HE2      GLN  10   2.172  -7.099   5.488
   68   1HE2  GLN  10          1HE2      GLN  10   3.094  -8.318   6.303
   69    H    CYS  11           H        CYS  11   4.323  -1.081   5.859
   70    HA   CYS  11           HA       CYS  11   4.624  -0.421   3.019
   71   1HB   CYS  11          1HB       CYS  11   2.863   1.272   4.681
   72   2HB   CYS  11          2HB       CYS  11   2.693   0.747   3.017
   73    H    ALA  12           H        ALA  12   6.911  -0.346   4.566
   74    HA   ALA  12           HA       ALA  12   7.156   2.486   5.315
   75   1HB   ALA  12          1HB       ALA  12   9.339   1.251   6.407
   76   2HB   ALA  12          2HB       ALA  12   7.800   1.505   7.265
   77   3HB   ALA  12          3HB       ALA  12   8.136  -0.059   6.486
   78    H    VAL  13           H        VAL  13   7.162   2.056   2.625
   79    HA   VAL  13           HA       VAL  13   9.883   1.545   1.782
   80    HB   VAL  13           HB       VAL  13   7.882   2.560  -0.133
   81   1HG1  VAL  13          1HG1      VAL  13  10.136   0.668  -0.018
   82   2HG1  VAL  13          2HG1      VAL  13   8.765   0.109  -1.007
   83   3HG1  VAL  13          3HG1      VAL  13   9.543   1.670  -1.364
   84   1HG2  VAL  13          1HG2      VAL  13   7.358   0.163   1.597
   85   2HG2  VAL  13          2HG2      VAL  13   6.226   1.381   0.962
   86   3HG2  VAL  13          3HG2      VAL  13   6.878   0.124  -0.117
   87    HA   PRO  14           HA       PRO  14  10.998   5.720   1.703
   88   1HB   PRO  14          1HB       PRO  14  13.045   5.686  -0.108
   89   2HB   PRO  14          2HB       PRO  14  13.236   5.194   1.563
   90   1HG   PRO  14          1HG       PRO  14  13.075   3.507  -0.860
   91   2HG   PRO  14          2HG       PRO  14  13.679   3.089   0.731
   92   1HD   PRO  14          1HD       PRO  14  11.147   2.344  -0.393
   93   2HD   PRO  14          2HD       PRO  14  11.705   2.025   1.238
   94    H    ALA  15           H        ALA  15   9.270   4.329  -0.647
   95    HA   ALA  15           HA       ALA  15   7.822   5.375  -2.026
   96   1HB   ALA  15          1HB       ALA  15   9.415   7.901  -2.235
   97   2HB   ALA  15          2HB       ALA  15   7.653   7.665  -2.139
   98   3HB   ALA  15          3HB       ALA  15   8.649   7.543  -0.669
   99    H    LYS  16           H        LYS  16  11.304   5.240  -2.289
  100    HA   LYS  16           HA       LYS  16  11.191   5.469  -5.187
  101   1HB   LYS  16          1HB       LYS  16  13.627   5.438  -5.069
  102   2HB   LYS  16          2HB       LYS  16  12.963   6.668  -4.012
  103   1HG   LYS  16          1HG       LYS  16  14.684   5.532  -2.755
  104   2HG   LYS  16          2HG       LYS  16  13.149   5.020  -2.081
  105   1HD   LYS  16          1HD       LYS  16  13.297   2.862  -3.001
  106   2HD   LYS  16          2HD       LYS  16  14.329   3.376  -4.321
  107   1HE   LYS  16          1HE       LYS  16  16.259   3.575  -2.854
  108   2HE   LYS  16          2HE       LYS  16  15.269   3.396  -1.419
  109   1HZ   LYS  16          1HZ       LYS  16  14.732   1.162  -2.156
  110   2HZ   LYS  16          2HZ       LYS  16  15.689   1.332  -3.468
  111   3HZ   LYS  16          3HZ       LYS  16  16.344   1.347  -1.972
  112    H    ASP  17           H        ASP  17  10.146   3.195  -3.211
  113    HA   ASP  17           HA       ASP  17  11.247   1.094  -4.891
  114   1HB   ASP  17          1HB       ASP  17  11.561   1.390  -2.038
  115   2HB   ASP  17          2HB       ASP  17  10.498   0.023  -2.311
  116    H    ARG  18           H        ARG  18   8.675   2.877  -4.563
  117    HA   ARG  18           HA       ARG  18   6.695   1.067  -3.696
  118   1HB   ARG  18          1HB       ARG  18   6.279   3.551  -5.424
  119   2HB   ARG  18          2HB       ARG  18   5.114   2.809  -4.345
  120   1HG   ARG  18          1HG       ARG  18   7.747   4.075  -3.447
  121   2HG   ARG  18          2HG       ARG  18   6.186   4.869  -3.373
  122   1HD   ARG  18          1HD       ARG  18   5.431   2.754  -1.988
  123   2HD   ARG  18          2HD       ARG  18   7.147   2.462  -1.787
  124    HE   ARG  18           HE       ARG  18   7.172   4.175  -0.212
  125   1HH1  ARG  18          1HH1      ARG  18   4.528   4.775  -2.455
  126   2HH1  ARG  18          2HH1      ARG  18   3.975   6.191  -1.624
  127   1HH2  ARG  18          1HH2      ARG  18   6.444   6.043   0.884
  128   2HH2  ARG  18          2HH2      ARG  18   5.072   6.917   0.288
  129    H    VAL  19           H        VAL  19   5.933  -0.655  -4.883
  130    HA   VAL  19           HA       VAL  19   6.551  -0.792  -7.690
  131    HB   VAL  19           HB       VAL  19   5.113  -2.670  -5.805
  132   1HG1  VAL  19          1HG1      VAL  19   5.966  -2.979  -8.693
  133   2HG1  VAL  19          2HG1      VAL  19   5.674  -4.373  -7.624
  134   3HG1  VAL  19          3HG1      VAL  19   4.356  -3.231  -7.978
  135   1HG2  VAL  19          1HG2      VAL  19   7.776  -1.999  -5.804
  136   2HG2  VAL  19          2HG2      VAL  19   7.105  -3.540  -5.219
  137   3HG2  VAL  19          3HG2      VAL  19   7.754  -3.423  -6.872
  138    H    ASP  20           H        ASP  20   4.104   0.612  -5.794
  139    HA   ASP  20           HA       ASP  20   2.150   1.440  -6.233
  140   1HB   ASP  20          1HB       ASP  20   3.014   2.569  -8.146
  141   2HB   ASP  20          2HB       ASP  20   3.198   1.082  -9.055
  142    H    CYS  21           H        CYS  21   0.332   0.219  -5.705
  143    HA   CYS  21           HA       CYS  21   0.044  -2.407  -6.792
  144   1HB   CYS  21          1HB       CYS  21  -0.590  -1.338  -4.410
  145   2HB   CYS  21          2HB       CYS  21  -2.141  -1.165  -5.206
  146    H    GLY  22           H        GLY  22  -0.899   0.840  -7.597
  147   1HA   GLY  22          1HA       GLY  22  -2.210   0.058  -9.971
  148   2HA   GLY  22          2HA       GLY  22  -2.130   1.670  -9.287
  149    H    TYR  23           H        TYR  23  -3.779   2.406  -7.800
  150    HA   TYR  23           HA       TYR  23  -6.253   0.872  -8.091
  151   1HB   TYR  23          1HB       TYR  23  -4.693   1.742  -5.636
  152   2HB   TYR  23          2HB       TYR  23  -6.434   1.919  -5.542
  153    HD1  TYR  23           HD1      TYR  23  -7.733  -0.309  -6.478
  154    HD2  TYR  23           HD2      TYR  23  -3.821  -0.208  -4.749
  155    HE1  TYR  23           HE1      TYR  23  -7.942  -2.762  -5.845
  156    HE2  TYR  23           HE2      TYR  23  -4.043  -2.662  -4.122
  157    HH   TYR  23           HH       TYR  23  -7.024  -4.451  -4.868
  158    HA   PRO  24           HA       PRO  24  -7.831   4.825  -8.883
  159   1HB   PRO  24          1HB       PRO  24 -10.509   4.361  -8.602
  160   2HB   PRO  24          2HB       PRO  24  -9.613   3.953 -10.052
  161   1HG   PRO  24          1HG       PRO  24 -10.616   2.159  -7.927
  162   2HG   PRO  24          2HG       PRO  24 -10.108   1.756  -9.555
  163   1HD   PRO  24          1HD       PRO  24  -8.618   1.339  -7.140
  164   2HD   PRO  24          2HD       PRO  24  -8.066   1.044  -8.777
  165    H    HIS  25           H        HIS  25  -9.977   3.593  -6.364
  166    HA   HIS  25           HA       HIS  25  -9.615   6.135  -5.020
  167   1HB   HIS  25          1HB       HIS  25 -11.546   5.538  -3.729
  168   2HB   HIS  25          2HB       HIS  25 -11.886   5.256  -5.425
  169    HD1  HIS  25           HD1      HIS  25 -13.650   3.803  -3.467
  170    HD2  HIS  25           HD2      HIS  25 -10.027   2.198  -4.843
  171    HE1  HIS  25           HE1      HIS  25 -13.815   1.278  -3.138
  172    HE2  HIS  25           HE2      HIS  25 -11.583   0.342  -4.052
  173    H    VAL  26           H        VAL  26  -7.446   5.901  -4.250
  174    HA   VAL  26           HA       VAL  26  -7.020   3.684  -2.394
  175    HB   VAL  26           HB       VAL  26  -4.655   4.442  -2.501
  176   1HG1  VAL  26          1HG1      VAL  26  -5.462   2.628  -3.933
  177   2HG1  VAL  26          2HG1      VAL  26  -5.956   3.807  -5.172
  178   3HG1  VAL  26          3HG1      VAL  26  -4.233   3.600  -4.777
  179   1HG2  VAL  26          1HG2      VAL  26  -5.442   6.835  -3.243
  180   2HG2  VAL  26          2HG2      VAL  26  -3.903   6.171  -3.843
  181   3HG2  VAL  26          3HG2      VAL  26  -5.349   6.143  -4.880
  182    H    THR  27           H        THR  27  -6.940   3.980  -0.205
  183    HA   THR  27           HA       THR  27  -6.581   6.683   0.817
  184    HB   THR  27           HB       THR  27  -8.704   6.821   1.828
  185    HG1  THR  27           HG1      THR  27  -9.691   4.900   2.550
  186   1HG2  THR  27          1HG2      THR  27  -9.171   5.003  -0.595
  187   2HG2  THR  27          2HG2      THR  27 -10.461   5.863   0.280
  188   3HG2  THR  27          3HG2      THR  27  -9.212   6.783  -0.593
  189    HA   PRO  28           HA       PRO  28  -4.660   4.658   4.082
  190   1HB   PRO  28          1HB       PRO  28  -5.399   6.014   6.337
  191   2HB   PRO  28          2HB       PRO  28  -4.195   6.610   5.212
  192   1HG   PRO  28          1HG       PRO  28  -6.988   7.504   5.584
  193   2HG   PRO  28          2HG       PRO  28  -5.665   8.338   4.794
  194   1HD   PRO  28          1HD       PRO  28  -7.842   6.975   3.516
  195   2HD   PRO  28          2HD       PRO  28  -6.458   7.709   2.730
  196    H    LYS  29           H        LYS  29  -6.960   3.304   3.208
  197    HA   LYS  29           HA       LYS  29  -7.191   1.458   5.260
  198   1HB   LYS  29          1HB       LYS  29  -8.503   3.551   6.177
  199   2HB   LYS  29          2HB       LYS  29  -9.770   2.988   5.105
  200   1HG   LYS  29          1HG       LYS  29  -8.387   1.124   7.080
  201   2HG   LYS  29          2HG       LYS  29  -9.785   2.078   7.532
  202   1HD   LYS  29          1HD       LYS  29 -10.275   0.724   4.988
  203   2HD   LYS  29          2HD       LYS  29  -9.774  -0.437   6.201
  204   1HE   LYS  29          1HE       LYS  29 -11.803   1.613   7.052
  205   2HE   LYS  29          2HE       LYS  29 -12.350   0.381   5.931
  206   1HZ   LYS  29          1HZ       LYS  29 -11.497  -1.281   7.465
  207   2HZ   LYS  29          2HZ       LYS  29 -11.050  -0.116   8.519
  208   3HZ   LYS  29          3HZ       LYS  29 -12.630  -0.343   8.174
  209    H    GLU  30           H        GLU  30  -9.011   3.124   2.610
  210    HA   GLU  30           HA       GLU  30 -10.237   0.761   1.753
  211   1HB   GLU  30          1HB       GLU  30 -11.224   2.899   1.197
  212   2HB   GLU  30          2HB       GLU  30  -9.757   3.450   0.411
  213   1HG   GLU  30          1HG       GLU  30 -10.332   2.460  -1.553
  214   2HG   GLU  30          2HG       GLU  30 -10.644   0.925  -0.768
  215    H    CYS  31           H        CYS  31  -7.217   2.491   0.844
  216    HA   CYS  31           HA       CYS  31  -6.659   0.889  -1.390
  217   1HB   CYS  31          1HB       CYS  31  -5.486   2.837  -1.460
  218   2HB   CYS  31          2HB       CYS  31  -5.189   2.868   0.267
  219    H    ASN  32           H        ASN  32  -5.898   0.736   2.128
  220    HA   ASN  32           HA       ASN  32  -4.228  -1.537   1.779
  221   1HB   ASN  32          1HB       ASN  32  -3.650  -0.197   3.664
  222   2HB   ASN  32          2HB       ASN  32  -5.321   0.028   4.142
  223   2HD2  ASN  32          2HD2      ASN  32  -5.977  -1.064   5.819
  224   1HD2  ASN  32          1HD2      ASN  32  -5.345  -2.562   6.416
  225    H    ASN  33           H        ASN  33  -7.570  -0.973   1.698
  226    HA   ASN  33           HA       ASN  33  -8.269  -3.404   3.081
  227   1HB   ASN  33          1HB       ASN  33  -9.747  -1.491   3.460
  228   2HB   ASN  33          2HB       ASN  33  -9.906  -1.196   1.740
  229   2HD2  ASN  33          2HD2      ASN  33 -12.204  -1.275   2.446
  230   1HD2  ASN  33          1HD2      ASN  33 -13.031  -2.796   2.395
  231    H    ARG  34           H        ARG  34  -8.162  -1.875  -0.178
  232    HA   ARG  34           HA       ARG  34  -9.581  -3.784  -1.547
  233   1HB   ARG  34          1HB       ARG  34  -8.362  -1.427  -2.207
  234   2HB   ARG  34          2HB       ARG  34  -7.208  -2.541  -2.913
  235   1HG   ARG  34          1HG       ARG  34  -9.054  -1.824  -4.496
  236   2HG   ARG  34          2HG       ARG  34  -8.903  -3.560  -4.315
  237   1HD   ARG  34          1HD       ARG  34 -10.742  -2.303  -2.341
  238   2HD   ARG  34          2HD       ARG  34 -11.264  -2.132  -4.006
  239    HE   ARG  34           HE       ARG  34 -10.399  -4.849  -3.454
  240   1HH1  ARG  34          1HH1      ARG  34 -13.090  -2.619  -3.044
  241   2HH1  ARG  34          2HH1      ARG  34 -14.282  -3.872  -2.952
  242   1HH2  ARG  34          1HH2      ARG  34 -11.971  -6.504  -3.334
  243   2HH2  ARG  34          2HH2      ARG  34 -13.641  -6.097  -3.118
  244    H    GLY  35           H        GLY  35  -6.315  -3.802  -0.211
  245   1HA   GLY  35          1HA       GLY  35  -5.797  -6.391  -1.549
  246   2HA   GLY  35          2HA       GLY  35  -5.442  -6.073   0.137
  247    H    CYS  36           H        CYS  36  -3.943  -4.109   0.577
  248    HA   CYS  36           HA       CYS  36  -1.519  -4.537  -0.564
  249   1HB   CYS  36          1HB       CYS  36  -3.115  -3.181  -2.435
  250   2HB   CYS  36          2HB       CYS  36  -2.054  -1.958  -1.765
  251    H    CYS  37           H        CYS  37  -0.579  -1.726  -0.574
  252    HA   CYS  37           HA       CYS  37  -1.252  -1.023   2.191
  253   1HB   CYS  37          1HB       CYS  37   1.375  -1.329   0.838
  254   2HB   CYS  37          2HB       CYS  37   1.207   0.033   1.928
  255    H    PHE  38           H        PHE  38  -1.208   1.330   2.637
  256    HA   PHE  38           HA       PHE  38  -1.550   2.891   0.173
  257   1HB   PHE  38          1HB       PHE  38  -3.654   2.584   1.445
  258   2HB   PHE  38          2HB       PHE  38  -2.849   2.957   2.956
  259    HD1  PHE  38           HD1      PHE  38  -4.130   4.390  -0.182
  260    HD2  PHE  38           HD2      PHE  38  -2.501   5.223   3.647
  261    HE1  PHE  38           HE1      PHE  38  -4.784   6.800  -0.428
  262    HE2  PHE  38           HE2      PHE  38  -3.155   7.634   3.400
  263    HZ   PHE  38           HZ       PHE  38  -4.289   8.394   1.366
  264    H    ASP  39           H        ASP  39  -1.331   5.390   0.738
  265    HA   ASP  39           HA       ASP  39   0.281   6.130   2.852
  266   1HB   ASP  39          1HB       ASP  39   2.093   4.898   1.801
  267   2HB   ASP  39          2HB       ASP  39   1.716   5.565   0.225
  268    H    SER  40           H        SER  40   0.416   8.462   2.864
  269    HA   SER  40           HA       SER  40  -0.437   9.745   0.395
  270   1HB   SER  40          1HB       SER  40  -1.890  11.270   1.683
  271   2HB   SER  40          2HB       SER  40  -2.393   9.605   1.896
  272    HG   SER  40           HG       SER  40  -1.004   9.660   3.915
  273    H    ARG  41           H        ARG  41   2.156   9.266   2.091
  274    HA   ARG  41           HA       ARG  41   2.888  11.626   3.270
  275   1HB   ARG  41          1HB       ARG  41   4.058   9.186   2.966
  276   2HB   ARG  41          2HB       ARG  41   4.985  10.069   1.770
  277   1HG   ARG  41          1HG       ARG  41   6.142  11.237   3.356
  278   2HG   ARG  41          2HG       ARG  41   4.696  11.588   4.281
  279   1HD   ARG  41          1HD       ARG  41   5.017   9.811   5.699
  280   2HD   ARG  41          2HD       ARG  41   5.479   8.730   4.399
  281    HE   ARG  41           HE       ARG  41   7.629  10.504   4.629
  282   1HH1  ARG  41          1HH1      ARG  41   5.971   8.271   6.785
  283   2HH1  ARG  41          2HH1      ARG  41   7.376   7.958   7.750
  284   1HH2  ARG  41          1HH2      ARG  41   9.483  10.091   5.901
  285   2HH2  ARG  41          2HH2      ARG  41   9.387   9.001   7.243
  286    H    ILE  42           H        ILE  42   3.460  10.429  -0.115
  287    HA   ILE  42           HA       ILE  42   3.559  13.199  -0.989
  288    HB   ILE  42           HB       ILE  42   5.585  12.115  -2.469
  289   1HG1  ILE  42          1HG1      ILE  42   7.182  11.138  -0.847
  290   2HG1  ILE  42          2HG1      ILE  42   5.925  11.113   0.373
  291   1HG2  ILE  42          1HG2      ILE  42   5.327  14.377  -1.332
  292   2HG2  ILE  42          2HG2      ILE  42   6.052  13.620   0.107
  293   3HG2  ILE  42          3HG2      ILE  42   6.972  13.700  -1.414
  294   1HD1  ILE  42          1HD1      ILE  42   5.069   9.877  -2.173
  295   2HD1  ILE  42          2HD1      ILE  42   6.459   9.060  -1.420
  296   3HD1  ILE  42          3HD1      ILE  42   4.942   9.256  -0.509
  297    HA   PRO  43           HA       PRO  43   1.160  11.354  -4.084
  298   1HB   PRO  43          1HB       PRO  43   0.882  13.500  -5.753
  299   2HB   PRO  43          2HB       PRO  43  -0.107  13.261  -4.326
  300   1HG   PRO  43          1HG       PRO  43   2.130  15.150  -4.736
  301   2HG   PRO  43          2HG       PRO  43   0.877  15.181  -3.510
  302   1HD   PRO  43          1HD       PRO  43   3.601  14.353  -3.159
  303   2HD   PRO  43          2HD       PRO  43   2.320  14.275  -1.966
  304    H    GLY  44           H        GLY  44   4.051  13.100  -4.981
  305   1HA   GLY  44          1HA       GLY  44   5.727  12.394  -6.342
  306   2HA   GLY  44          2HA       GLY  44   4.455  12.479  -7.546
  307    H    VAL  45           H        VAL  45   4.765  10.174  -4.773
  308    HA   VAL  45           HA       VAL  45   5.367   8.044  -6.667
  309    HB   VAL  45           HB       VAL  45   6.273   6.904  -4.920
  310   1HG1  VAL  45          1HG1      VAL  45   7.029   9.503  -5.098
  311   2HG1  VAL  45          2HG1      VAL  45   6.575   9.421  -3.379
  312   3HG1  VAL  45          3HG1      VAL  45   7.808   8.312  -4.028
  313   1HG2  VAL  45          1HG2      VAL  45   4.300   8.323  -3.108
  314   2HG2  VAL  45          2HG2      VAL  45   4.345   6.599  -3.549
  315   3HG2  VAL  45          3HG2      VAL  45   5.613   7.284  -2.506
  316    HA   PRO  46           HA       PRO  46   1.433   6.270  -6.382
  317   1HB   PRO  46          1HB       PRO  46   1.864   3.583  -6.136
  318   2HB   PRO  46          2HB       PRO  46   2.010   4.441  -7.657
  319   1HG   PRO  46          1HG       PRO  46   4.151   3.415  -5.897
  320   2HG   PRO  46          2HG       PRO  46   4.246   3.882  -7.583
  321   1HD   PRO  46          1HD       PRO  46   5.166   5.397  -5.327
  322   2HD   PRO  46          2HD       PRO  46   5.155   5.913  -7.002
  323    H    TRP  47           H        TRP  47   0.573   7.306  -4.575
  324    HA   TRP  47           HA       TRP  47   0.984   6.918  -2.022
  325   1HB   TRP  47          1HB       TRP  47  -1.545   7.208  -3.568
  326   2HB   TRP  47          2HB       TRP  47  -1.674   6.828  -1.861
  327    HD1  TRP  47           HD1      TRP  47   1.198   9.122  -2.972
  328    HE1  TRP  47           HE1      TRP  47   0.853  11.591  -2.104
  329    HE3  TRP  47           HE3      TRP  47  -3.536   8.417  -1.254
  330    HZ2  TRP  47           HZ2      TRP  47  -1.312  12.941  -0.826
  331    HZ3  TRP  47           HZ3      TRP  47  -4.694  10.362  -0.210
  332    HH2  TRP  47           HH2      TRP  47  -3.659  12.564   0.017
  333    H    CYS  48           H        CYS  48  -1.101   4.668  -3.986
  334    HA   CYS  48           HA       CYS  48  -0.922   2.727  -1.849
  335   1HB   CYS  48          1HB       CYS  48  -3.038   3.326  -3.203
  336   2HB   CYS  48          2HB       CYS  48  -2.343   2.341  -4.475
  337    H    PHE  49           H        PHE  49   0.779   1.301  -1.831
  338    HA   PHE  49           HA       PHE  49   1.747   0.342  -4.413
  339   1HB   PHE  49          1HB       PHE  49   4.097   0.564  -3.297
  340   2HB   PHE  49          2HB       PHE  49   3.348   2.066  -3.802
  341    HD1  PHE  49           HD1      PHE  49   3.731  -0.134  -0.822
  342    HD2  PHE  49           HD2      PHE  49   3.098   3.802  -2.275
  343    HE1  PHE  49           HE1      PHE  49   3.956   0.763   1.511
  344    HE2  PHE  49           HE2      PHE  49   3.323   4.700   0.059
  345    HZ   PHE  49           HZ       PHE  49   3.749   3.169   1.924
  346    H    LYS  50           H        LYS  50   3.268  -1.617  -4.071
  347    HA   LYS  50           HA       LYS  50   1.886  -3.478  -2.462
  348   1HB   LYS  50          1HB       LYS  50   4.416  -3.584  -4.110
  349   2HB   LYS  50          2HB       LYS  50   3.869  -4.958  -3.170
  350   1HG   LYS  50          1HG       LYS  50   1.532  -4.168  -4.474
  351   2HG   LYS  50          2HG       LYS  50   2.760  -3.831  -5.678
  352   1HD   LYS  50          1HD       LYS  50   3.470  -6.360  -4.596
  353   2HD   LYS  50          2HD       LYS  50   1.727  -6.416  -4.769
  354   1HE   LYS  50          1HE       LYS  50   2.673  -5.177  -7.150
  355   2HE   LYS  50          2HE       LYS  50   3.785  -6.496  -6.846
  356   1HZ   LYS  50          1HZ       LYS  50   1.775  -7.902  -6.534
  357   2HZ   LYS  50          2HZ       LYS  50   0.870  -6.667  -7.100
  358   3HZ   LYS  50          3HZ       LYS  50   1.998  -7.358  -8.058
  359    HA   PRO  51           HA       PRO  51   4.114  -3.289   1.228
  360   1HB   PRO  51          1HB       PRO  51   4.226  -5.889   2.063
  361   2HB   PRO  51          2HB       PRO  51   2.798  -4.888   2.234
  362   1HG   PRO  51          1HG       PRO  51   3.313  -7.068   0.306
  363   2HG   PRO  51          2HG       PRO  51   1.782  -6.357   0.774
  364   1HD   PRO  51          1HD       PRO  51   3.224  -5.876  -1.658
  365   2HD   PRO  51          2HD       PRO  51   1.753  -5.079  -1.136
  366    H    LEU  52           H        LEU  52   6.136  -2.660   1.597
  367    HA   LEU  52           HA       LEU  52   8.223  -3.183   0.052
  368   1HB   LEU  52          1HB       LEU  52   8.357  -1.621   1.831
  369   2HB   LEU  52          2HB       LEU  52   8.125  -2.862   3.046
  370    HG   LEU  52           HG       LEU  52  10.555  -2.653   1.246
  371   1HD1  LEU  52          1HD1      LEU  52  10.110  -0.784   2.997
  372   2HD1  LEU  52          2HD1      LEU  52  10.566  -2.028   4.186
  373   3HD1  LEU  52          3HD1      LEU  52  11.716  -1.547   2.916
  374   1HD2  LEU  52          1HD2      LEU  52   9.607  -4.685   3.138
  375   2HD2  LEU  52          2HD2      LEU  52  10.832  -4.787   1.851
  376   3HD2  LEU  52          3HD2      LEU  52  11.271  -4.133   3.447
  377    H    GLN  53           H        GLN  53   9.699  -4.795  -0.400
  378    HA   GLN  53           HA       GLN  53   8.904  -7.392   0.065
  379   1HB   GLN  53          1HB       GLN  53  11.269  -7.946  -0.763
  380   2HB   GLN  53          2HB       GLN  53  10.283  -6.967  -1.830
  381   1HG   GLN  53          1HG       GLN  53  11.785  -5.306   0.082
  382   2HG   GLN  53          2HG       GLN  53  12.853  -6.325  -0.862
  383   2HE2  GLN  53          2HE2      GLN  53  11.489  -3.394  -0.740
  384   1HE2  GLN  53          1HE2      GLN  53  11.401  -2.965  -2.416
  385    H    GLU  54           H        GLU  54   8.529  -7.618   2.365
  386    HA   GLU  54           HA       GLU  54  10.568  -7.092   4.207
  387   1HB   GLU  54          1HB       GLU  54   9.085  -8.490   5.754
  388   2HB   GLU  54          2HB       GLU  54   8.320  -7.096   5.015
  389   1HG   GLU  54          1HG       GLU  54   6.827  -8.388   3.880
  390   2HG   GLU  54          2HG       GLU  54   8.081  -9.461   3.292
  391    H    ALA  55           H        ALA  55  12.429  -8.165   3.157
  392    HA   ALA  55           HA       ALA  55  12.341 -11.087   3.456
  393   1HB   ALA  55          1HB       ALA  55  14.158 -11.119   1.809
  394   2HB   ALA  55          2HB       ALA  55  12.763 -10.223   1.163
  395   3HB   ALA  55          3HB       ALA  55  14.183  -9.340   1.773
  396    H    GLU  56           H        GLU  56  13.291 -11.822   5.283
  397    HA   GLU  56           HA       GLU  56  14.635 -10.253   7.041
  398   1HB   GLU  56          1HB       GLU  56  13.687 -12.729   7.178
  399   2HB   GLU  56          2HB       GLU  56  15.335 -13.184   6.795
  400   1HG   GLU  56          1HG       GLU  56  15.219 -13.134   9.192
  401   2HG   GLU  56          2HG       GLU  56  16.100 -11.690   8.732
  402    H    CYS  57           H        CYS  57  16.117 -12.656   4.737
  403    HA   CYS  57           HA       CYS  57  18.639 -11.228   5.085
  404   1HB   CYS  57          1HB       CYS  57  18.284 -13.888   3.715
  405   2HB   CYS  57          2HB       CYS  57  19.755 -13.172   4.342
  406    H    THR  58           H        THR  58  19.680 -10.291   3.265
  407    HA   THR  58           HA       THR  58  18.137  -9.274   1.242
  408    HB   THR  58           HB       THR  58  20.360  -8.411   1.882
  409    HG1  THR  58           HG1      THR  58  19.628  -8.121  -0.343
  410   1HG2  THR  58          1HG2      THR  58  21.433 -10.723   2.245
  411   2HG2  THR  58          2HG2      THR  58  21.508 -10.872   0.472
  412   3HG2  THR  58          3HG2      THR  58  22.414  -9.580   1.296
  413    H    PHE  59           H        PHE  59  20.187 -12.256   1.137
  414    HA   PHE  59           HA       PHE  59  19.010 -12.854  -1.454
  415   1HB   PHE  59          1HB       PHE  59  21.434 -13.480   0.155
  416   2HB   PHE  59          2HB       PHE  59  20.753 -14.923  -0.570
  417    HD1  PHE  59           HD1      PHE  59  20.434 -14.979  -3.081
  418    HD2  PHE  59           HD2      PHE  59  22.681 -11.950  -1.135
  419    HE1  PHE  59           HE1      PHE  59  21.556 -14.415  -5.254
  420    HE2  PHE  59           HE2      PHE  59  23.803 -11.386  -3.308
  421    HZ   PHE  59           HZ       PHE  59  23.228 -12.626  -5.341

  No H/Q in entry =         421
  Start of MODEL   36
    1    H    GLU   1           H        GLU   1  11.021 -16.285  11.817
    2    HA   GLU   1           HA       GLU   1  12.277 -16.211  13.596
    3   1HB   GLU   1          1HB       GLU   1  14.043 -15.120  11.606
    4   2HB   GLU   1          2HB       GLU   1  14.260 -14.183  13.070
    5   1HG   GLU   1          1HG       GLU   1  14.349 -17.235  12.931
    6   2HG   GLU   1          2HG       GLU   1  15.761 -16.197  12.965
    7    H    GLU   2           H        GLU   2  11.630 -13.026  12.053
    8    HA   GLU   2           HA       GLU   2  11.182 -11.966  14.730
    9   1HB   GLU   2          1HB       GLU   2  12.608 -10.922  12.493
   10   2HB   GLU   2          2HB       GLU   2  11.170  -9.933  12.651
   11   1HG   GLU   2          1HG       GLU   2  12.665 -10.592  15.180
   12   2HG   GLU   2          2HG       GLU   2  13.420  -9.457  14.079
   13    H    TYR   3           H        TYR   3   9.545  -9.770  14.120
   14    HA   TYR   3           HA       TYR   3   7.353 -10.632  12.483
   15   1HB   TYR   3          1HB       TYR   3   7.362 -11.769  14.918
   16   2HB   TYR   3          2HB       TYR   3   6.909 -10.171  15.479
   17    HD1  TYR   3           HD1      TYR   3   5.821 -11.981  12.386
   18    HD2  TYR   3           HD2      TYR   3   4.690 -10.386  16.192
   19    HE1  TYR   3           HE1      TYR   3   3.381 -12.491  11.883
   20    HE2  TYR   3           HE2      TYR   3   2.255 -10.901  15.676
   21    HH   TYR   3           HH       TYR   3   0.841 -11.264  13.853
   22    H    VAL   4           H        VAL   4   5.335  -9.009  13.326
   23    HA   VAL   4           HA       VAL   4   4.637  -6.912  13.573
   24    HB   VAL   4           HB       VAL   4   7.456  -5.994  14.099
   25   1HG1  VAL   4          1HG1      VAL   4   5.762  -4.250  13.830
   26   2HG1  VAL   4          2HG1      VAL   4   4.748  -5.023  15.073
   27   3HG1  VAL   4          3HG1      VAL   4   6.324  -4.326  15.517
   28   1HG2  VAL   4          1HG2      VAL   4   5.697  -7.706  15.795
   29   2HG2  VAL   4          2HG2      VAL   4   7.473  -7.622  15.699
   30   3HG2  VAL   4          3HG2      VAL   4   6.570  -6.378  16.597
   31    H    GLY   5           H        GLY   5   4.402  -7.498  11.180
   32   1HA   GLY   5          1HA       GLY   5   5.703  -7.152   9.033
   33   2HA   GLY   5          2HA       GLY   5   5.906  -5.507   9.601
   34    H    LEU   6           H        LEU   6   3.064  -5.903  10.961
   35    HA   LEU   6           HA       LEU   6   1.473  -5.699   8.515
   36   1HB   LEU   6          1HB       LEU   6  -0.443  -6.077   9.949
   37   2HB   LEU   6          2HB       LEU   6   0.736  -7.366  10.086
   38    HG   LEU   6           HG       LEU   6   1.106  -5.273  12.107
   39   1HD1  LEU   6          1HD1      LEU   6  -1.599  -6.247  11.593
   40   2HD1  LEU   6          2HD1      LEU   6  -1.043  -6.587  13.249
   41   3HD1  LEU   6          3HD1      LEU   6  -1.031  -4.918  12.632
   42   1HD2  LEU   6          1HD2      LEU   6   2.092  -7.658  11.926
   43   2HD2  LEU   6          2HD2      LEU   6   1.566  -7.060  13.518
   44   3HD2  LEU   6          3HD2      LEU   6   0.532  -8.185  12.604
   45    H    SER   7           H        SER   7   0.892  -3.735   7.768
   46    HA   SER   7           HA       SER   7   0.515  -1.602   7.667
   47   1HB   SER   7          1HB       SER   7  -0.866  -0.621   9.265
   48   2HB   SER   7          2HB       SER   7  -1.084  -2.318   9.644
   49    HG   SER   7           HG       SER   7  -0.051  -0.317  11.214
   50    H    ALA   8           H        ALA   8   1.956   0.098   7.464
   51    HA   ALA   8           HA       ALA   8   3.544   1.571   8.060
   52   1HB   ALA   8          1HB       ALA   8   4.214   1.832  10.245
   53   2HB   ALA   8          2HB       ALA   8   4.407   0.083  10.510
   54   3HB   ALA   8          3HB       ALA   8   2.783   0.811  10.524
   55    H    ASN   9           H        ASN   9   4.802  -1.512   9.506
   56    HA   ASN   9           HA       ASN   9   7.262  -1.340   8.405
   57   1HB   ASN   9          1HB       ASN   9   5.530  -3.545   9.452
   58   2HB   ASN   9          2HB       ASN   9   6.844  -4.081   8.424
   59   2HD2  ASN   9          2HD2      ASN   9   5.910  -2.980  11.485
   60   1HD2  ASN   9          1HD2      ASN   9   7.464  -2.837  12.235
   61    H    GLN  10           H        GLN  10   4.520  -3.449   7.222
   62    HA   GLN  10           HA       GLN  10   5.724  -4.194   4.880
   63   1HB   GLN  10          1HB       GLN  10   3.249  -4.531   4.116
   64   2HB   GLN  10          2HB       GLN  10   3.833  -5.446   5.491
   65   1HG   GLN  10          1HG       GLN  10   2.616  -4.178   7.041
   66   2HG   GLN  10          2HG       GLN  10   2.615  -2.743   6.035
   67   2HE2  GLN  10          2HE2      GLN  10   1.809  -6.063   5.114
   68   1HE2  GLN  10          1HE2      GLN  10   0.147  -5.792   4.706
   69    H    CYS  11           H        CYS  11   4.150  -1.170   5.787
   70    HA   CYS  11           HA       CYS  11   4.379  -0.296   2.998
   71   1HB   CYS  11          1HB       CYS  11   2.713   1.248   4.915
   72   2HB   CYS  11          2HB       CYS  11   2.521   1.008   3.190
   73    H    ALA  12           H        ALA  12   6.725  -0.404   4.431
   74    HA   ALA  12           HA       ALA  12   7.097   2.369   5.337
   75   1HB   ALA  12          1HB       ALA  12   9.162   0.505   6.196
   76   2HB   ALA  12          2HB       ALA  12   7.550  -0.049   6.709
   77   3HB   ALA  12          3HB       ALA  12   8.123   1.571   7.173
   78    H    VAL  13           H        VAL  13   7.093   2.057   2.643
   79    HA   VAL  13           HA       VAL  13   9.821   1.478   1.819
   80    HB   VAL  13           HB       VAL  13   7.840   2.467  -0.129
   81   1HG1  VAL  13          1HG1      VAL  13  10.099   0.586   0.032
   82   2HG1  VAL  13          2HG1      VAL  13   8.742   0.007  -0.964
   83   3HG1  VAL  13          3HG1      VAL  13   9.515   1.568  -1.333
   84   1HG2  VAL  13          1HG2      VAL  13   7.314   0.058   1.594
   85   2HG2  VAL  13          2HG2      VAL  13   6.184   1.294   0.993
   86   3HG2  VAL  13          3HG2      VAL  13   6.817   0.054  -0.115
   87    HA   PRO  14           HA       PRO  14  10.917   5.657   1.713
   88   1HB   PRO  14          1HB       PRO  14  12.971   5.622  -0.088
   89   2HB   PRO  14          2HB       PRO  14  13.157   5.141   1.587
   90   1HG   PRO  14          1HG       PRO  14  13.016   3.439  -0.826
   91   2HG   PRO  14          2HG       PRO  14  13.615   3.033   0.770
   92   1HD   PRO  14          1HD       PRO  14  11.092   2.269  -0.362
   93   2HD   PRO  14          2HD       PRO  14  11.643   1.963   1.274
   94    H    ALA  15           H        ALA  15   9.201   4.246  -0.631
   95    HA   ALA  15           HA       ALA  15   7.756   5.275  -2.025
   96   1HB   ALA  15          1HB       ALA  15   9.363   7.805  -2.200
   97   2HB   ALA  15          2HB       ALA  15   7.598   7.574  -2.196
   98   3HB   ALA  15          3HB       ALA  15   8.515   7.449  -0.676
   99    H    LYS  16           H        LYS  16  11.268   5.302  -2.288
  100    HA   LYS  16           HA       LYS  16  11.149   5.455  -5.182
  101   1HB   LYS  16          1HB       LYS  16  13.574   5.502  -5.068
  102   2HB   LYS  16          2HB       LYS  16  12.890   6.698  -3.985
  103   1HG   LYS  16          1HG       LYS  16  14.584   5.644  -2.688
  104   2HG   LYS  16          2HG       LYS  16  13.095   4.919  -2.115
  105   1HD   LYS  16          1HD       LYS  16  13.597   2.846  -2.994
  106   2HD   LYS  16          2HD       LYS  16  14.340   3.516  -4.433
  107   1HE   LYS  16          1HE       LYS  16  16.432   3.858  -3.360
  108   2HE   LYS  16          2HE       LYS  16  15.727   3.835  -1.756
  109   1HZ   LYS  16          1HZ       LYS  16  15.416   1.434  -3.322
  110   2HZ   LYS  16          2HZ       LYS  16  16.928   1.765  -2.801
  111   3HZ   LYS  16          3HZ       LYS  16  15.709   1.605  -1.725
  112    H    ASP  17           H        ASP  17  10.205   3.168  -3.130
  113    HA   ASP  17           HA       ASP  17  11.315   1.081  -4.825
  114   1HB   ASP  17          1HB       ASP  17  11.721   1.416  -2.000
  115   2HB   ASP  17          2HB       ASP  17  10.641   0.049  -2.195
  116    H    ARG  18           H        ARG  18   8.723   2.760  -4.611
  117    HA   ARG  18           HA       ARG  18   6.783   0.987  -3.589
  118   1HB   ARG  18          1HB       ARG  18   6.286   3.287  -5.533
  119   2HB   ARG  18          2HB       ARG  18   5.169   2.636  -4.350
  120   1HG   ARG  18          1HG       ARG  18   7.820   3.793  -3.436
  121   2HG   ARG  18          2HG       ARG  18   6.492   4.869  -3.822
  122   1HD   ARG  18          1HD       ARG  18   5.248   2.940  -2.229
  123   2HD   ARG  18          2HD       ARG  18   6.834   3.064  -1.494
  124    HE   ARG  18           HE       ARG  18   5.521   5.643  -2.088
  125   1HH1  ARG  18          1HH1      ARG  18   6.153   3.142   0.306
  126   2HH1  ARG  18          2HH1      ARG  18   5.805   4.168   1.657
  127   1HH2  ARG  18          1HH2      ARG  18   5.061   6.997  -0.306
  128   2HH2  ARG  18          2HH2      ARG  18   5.179   6.375   1.307
  129    H    VAL  19           H        VAL  19   5.551  -0.566  -4.690
  130    HA   VAL  19           HA       VAL  19   6.402  -1.130  -7.408
  131    HB   VAL  19           HB       VAL  19   4.452  -2.772  -5.839
  132   1HG1  VAL  19          1HG1      VAL  19   6.629  -3.333  -7.869
  133   2HG1  VAL  19          2HG1      VAL  19   5.812  -4.615  -6.943
  134   3HG1  VAL  19          3HG1      VAL  19   4.873  -3.571  -8.037
  135   1HG2  VAL  19          1HG2      VAL  19   7.428  -2.569  -5.301
  136   2HG2  VAL  19          2HG2      VAL  19   6.087  -2.342  -4.153
  137   3HG2  VAL  19          3HG2      VAL  19   6.433  -3.960  -4.810
  138    H    ASP  20           H        ASP  20   4.047   0.725  -5.833
  139    HA   ASP  20           HA       ASP  20   2.171   1.633  -6.431
  140   1HB   ASP  20          1HB       ASP  20   3.259   2.567  -8.333
  141   2HB   ASP  20          2HB       ASP  20   3.383   1.017  -9.140
  142    H    CYS  21           H        CYS  21   0.409   0.376  -5.744
  143    HA   CYS  21           HA       CYS  21  -0.078  -2.195  -6.796
  144   1HB   CYS  21          1HB       CYS  21  -0.816  -0.831  -4.535
  145   2HB   CYS  21          2HB       CYS  21  -2.315  -0.847  -5.443
  146    H    GLY  22           H        GLY  22  -0.560   0.964  -7.993
  147   1HA   GLY  22          1HA       GLY  22  -1.799   0.221 -10.342
  148   2HA   GLY  22          2HA       GLY  22  -1.769   1.840  -9.673
  149    H    TYR  23           H        TYR  23  -3.466   2.430  -8.027
  150    HA   TYR  23           HA       TYR  23  -5.985   1.203  -8.814
  151   1HB   TYR  23          1HB       TYR  23  -4.656   0.421  -6.510
  152   2HB   TYR  23          2HB       TYR  23  -5.488   1.834  -5.893
  153    HD1  TYR  23           HD1      TYR  23  -6.641  -0.728  -8.374
  154    HD2  TYR  23           HD2      TYR  23  -7.186   1.025  -4.509
  155    HE1  TYR  23           HE1      TYR  23  -8.749  -2.109  -8.037
  156    HE2  TYR  23           HE2      TYR  23  -9.292  -0.362  -4.185
  157    HH   TYR  23           HH       TYR  23 -11.031  -1.473  -6.127
  158    HA   PRO  24           HA       PRO  24  -7.185   5.360  -8.609
  159   1HB   PRO  24          1HB       PRO  24  -9.902   5.091  -8.713
  160   2HB   PRO  24          2HB       PRO  24  -8.877   5.015 -10.132
  161   1HG   PRO  24          1HG       PRO  24 -10.228   2.809  -8.701
  162   2HG   PRO  24          2HG       PRO  24  -9.568   2.823 -10.325
  163   1HD   PRO  24          1HD       PRO  24  -8.390   1.619  -8.003
  164   2HD   PRO  24          2HD       PRO  24  -7.677   1.734  -9.600
  165    H    HIS  25           H        HIS  25  -9.826   3.871  -6.831
  166    HA   HIS  25           HA       HIS  25  -9.686   5.890  -4.875
  167   1HB   HIS  25          1HB       HIS  25 -11.673   5.082  -4.228
  168   2HB   HIS  25          2HB       HIS  25 -11.586   4.145  -5.706
  169    HD1  HIS  25           HD1      HIS  25 -12.185   3.735  -2.194
  170    HD2  HIS  25           HD2      HIS  25 -10.244   1.460  -5.137
  171    HE1  HIS  25           HE1      HIS  25 -12.053   1.354  -1.286
  172    HE2  HIS  25           HE2      HIS  25 -10.900  -0.008  -3.160
  173    H    VAL  26           H        VAL  26  -7.740   6.044  -3.782
  174    HA   VAL  26           HA       VAL  26  -7.008   3.651  -2.245
  175    HB   VAL  26           HB       VAL  26  -4.645   4.447  -2.468
  176   1HG1  VAL  26          1HG1      VAL  26  -6.198   3.519  -4.894
  177   2HG1  VAL  26          2HG1      VAL  26  -4.422   3.635  -4.879
  178   3HG1  VAL  26          3HG1      VAL  26  -5.252   2.547  -3.742
  179   1HG2  VAL  26          1HG2      VAL  26  -5.865   6.696  -3.656
  180   2HG2  VAL  26          2HG2      VAL  26  -4.125   6.359  -3.493
  181   3HG2  VAL  26          3HG2      VAL  26  -4.994   5.860  -4.965
  182    H    THR  27           H        THR  27  -7.056   3.978  -0.080
  183    HA   THR  27           HA       THR  27  -6.543   6.681   0.910
  184    HB   THR  27           HB       THR  27  -8.651   6.915   1.880
  185    HG1  THR  27           HG1      THR  27  -9.631   5.065   2.810
  186   1HG2  THR  27          1HG2      THR  27  -9.244   4.815  -0.272
  187   2HG2  THR  27          2HG2      THR  27 -10.462   5.849   0.511
  188   3HG2  THR  27          3HG2      THR  27  -9.212   6.576  -0.527
  189    HA   PRO  28           HA       PRO  28  -4.595   4.661   4.164
  190   1HB   PRO  28          1HB       PRO  28  -5.312   6.004   6.433
  191   2HB   PRO  28          2HB       PRO  28  -4.124   6.609   5.296
  192   1HG   PRO  28          1HG       PRO  28  -6.915   7.493   5.705
  193   2HG   PRO  28          2HG       PRO  28  -5.603   8.334   4.903
  194   1HD   PRO  28          1HD       PRO  28  -7.791   6.970   3.645
  195   2HD   PRO  28          2HD       PRO  28  -6.419   7.711   2.846
  196    H    LYS  29           H        LYS  29  -6.923   3.320   3.312
  197    HA   LYS  29           HA       LYS  29  -7.119   1.463   5.367
  198   1HB   LYS  29          1HB       LYS  29  -8.429   3.537   6.304
  199   2HB   LYS  29          2HB       LYS  29  -9.697   3.001   5.221
  200   1HG   LYS  29          1HG       LYS  29  -8.488   0.792   6.788
  201   2HG   LYS  29          2HG       LYS  29  -9.242   2.017   7.789
  202   1HD   LYS  29          1HD       LYS  29 -10.702   0.901   5.369
  203   2HD   LYS  29          2HD       LYS  29 -10.708   0.026   6.888
  204   1HE   LYS  29          1HE       LYS  29 -11.446   2.973   6.817
  205   2HE   LYS  29          2HE       LYS  29 -12.635   1.754   6.402
  206   1HZ   LYS  29          1HZ       LYS  29 -11.488   0.845   8.686
  207   2HZ   LYS  29          2HZ       LYS  29 -11.627   2.452   8.942
  208   3HZ   LYS  29          3HZ       LYS  29 -12.947   1.569   8.564
  209    H    GLU  30           H        GLU  30  -8.907   3.120   2.696
  210    HA   GLU  30           HA       GLU  30 -10.143   0.746   1.855
  211   1HB   GLU  30          1HB       GLU  30 -10.047   3.558   1.048
  212   2HB   GLU  30          2HB       GLU  30 -10.033   2.507  -0.354
  213   1HG   GLU  30          1HG       GLU  30 -12.343   2.809   0.077
  214   2HG   GLU  30          2HG       GLU  30 -12.004   1.241   0.782
  215    H    CYS  31           H        CYS  31  -7.111   2.464   0.996
  216    HA   CYS  31           HA       CYS  31  -6.564   0.814  -1.238
  217   1HB   CYS  31          1HB       CYS  31  -5.503   2.834  -1.402
  218   2HB   CYS  31          2HB       CYS  31  -5.110   2.908   0.304
  219    H    ASN  32           H        ASN  32  -6.154   0.644   2.267
  220    HA   ASN  32           HA       ASN  32  -4.272  -1.530   1.990
  221   1HB   ASN  32          1HB       ASN  32  -3.579  -0.941   4.100
  222   2HB   ASN  32          2HB       ASN  32  -4.540   0.507   3.876
  223   2HD2  ASN  32          2HD2      ASN  32  -3.950  -2.024   5.866
  224   1HD2  ASN  32          1HD2      ASN  32  -5.431  -2.113   6.759
  225    H    ASN  33           H        ASN  33  -7.511  -1.186   1.639
  226    HA   ASN  33           HA       ASN  33  -8.231  -3.413   3.350
  227   1HB   ASN  33          1HB       ASN  33  -9.742  -1.471   3.453
  228   2HB   ASN  33          2HB       ASN  33  -9.895  -1.437   1.707
  229   2HD2  ASN  33          2HD2      ASN  33 -12.191  -1.457   2.706
  230   1HD2  ASN  33          1HD2      ASN  33 -12.977  -2.999   2.773
  231    H    ARG  34           H        ARG  34  -8.140  -2.225  -0.059
  232    HA   ARG  34           HA       ARG  34  -9.432  -4.355  -1.217
  233   1HB   ARG  34          1HB       ARG  34  -8.550  -2.035  -2.182
  234   2HB   ARG  34          2HB       ARG  34  -7.119  -2.957  -2.600
  235   1HG   ARG  34          1HG       ARG  34  -9.964  -3.697  -3.435
  236   2HG   ARG  34          2HG       ARG  34  -8.812  -2.866  -4.460
  237   1HD   ARG  34          1HD       ARG  34  -7.273  -4.999  -3.741
  238   2HD   ARG  34          2HD       ARG  34  -8.854  -5.741  -3.589
  239    HE   ARG  34           HE       ARG  34  -8.727  -4.293  -6.070
  240   1HH1  ARG  34          1HH1      ARG  34  -7.481  -7.209  -4.544
  241   2HH1  ARG  34          2HH1      ARG  34  -7.286  -8.062  -6.038
  242   1HH2  ARG  34          1HH2      ARG  34  -8.471  -5.418  -8.042
  243   2HH2  ARG  34          2HH2      ARG  34  -7.853  -7.037  -8.042
  244    H    GLY  35           H        GLY  35  -6.171  -4.005   0.090
  245   1HA   GLY  35          1HA       GLY  35  -5.498  -6.702  -0.928
  246   2HA   GLY  35          2HA       GLY  35  -5.114  -6.127   0.682
  247    H    CYS  36           H        CYS  36  -3.733  -4.041   0.792
  248    HA   CYS  36           HA       CYS  36  -1.359  -4.494  -0.544
  249   1HB   CYS  36          1HB       CYS  36  -3.154  -3.256  -2.267
  250   2HB   CYS  36          2HB       CYS  36  -2.184  -1.928  -1.660
  251    H    CYS  37           H        CYS  37  -0.589  -1.602  -0.657
  252    HA   CYS  37           HA       CYS  37  -1.000  -0.918   2.162
  253   1HB   CYS  37          1HB       CYS  37   1.536  -1.123   0.594
  254   2HB   CYS  37          2HB       CYS  37   1.405   0.134   1.808
  255    H    PHE  38           H        PHE  38  -1.059   1.409   2.580
  256    HA   PHE  38           HA       PHE  38  -1.490   2.965   0.126
  257   1HB   PHE  38          1HB       PHE  38  -3.562   2.595   1.435
  258   2HB   PHE  38          2HB       PHE  38  -2.740   2.988   2.932
  259    HD1  PHE  38           HD1      PHE  38  -4.044   4.408  -0.215
  260    HD2  PHE  38           HD2      PHE  38  -2.522   5.243   3.657
  261    HE1  PHE  38           HE1      PHE  38  -4.772   6.799  -0.445
  262    HE2  PHE  38           HE2      PHE  38  -3.250   7.634   3.427
  263    HZ   PHE  38           HZ       PHE  38  -4.366   8.384   1.379
  264    H    ASP  39           H        ASP  39  -1.352   5.475   0.722
  265    HA   ASP  39           HA       ASP  39   0.295   6.240   2.801
  266   1HB   ASP  39          1HB       ASP  39   2.129   5.107   1.702
  267   2HB   ASP  39          2HB       ASP  39   1.667   5.730   0.131
  268    H    SER  40           H        SER  40   0.516   8.601   2.769
  269    HA   SER  40           HA       SER  40  -0.502   9.880   0.371
  270   1HB   SER  40          1HB       SER  40  -1.971  11.344   1.707
  271   2HB   SER  40          2HB       SER  40  -2.420   9.663   1.913
  272    HG   SER  40           HG       SER  40  -2.082   9.875   4.008
  273    H    ARG  41           H        ARG  41   2.119   9.450   2.087
  274    HA   ARG  41           HA       ARG  41   2.783  11.871   3.208
  275   1HB   ARG  41          1HB       ARG  41   3.988   9.443   3.068
  276   2HB   ARG  41          2HB       ARG  41   4.924  10.256   1.829
  277   1HG   ARG  41          1HG       ARG  41   5.950  11.686   3.334
  278   2HG   ARG  41          2HG       ARG  41   4.533  11.804   4.359
  279   1HD   ARG  41          1HD       ARG  41   5.383   9.079   4.515
  280   2HD   ARG  41          2HD       ARG  41   6.841  10.043   4.631
  281    HE   ARG  41           HE       ARG  41   4.819   9.798   6.656
  282   1HH1  ARG  41          1HH1      ARG  41   6.944  12.197   5.203
  283   2HH1  ARG  41          2HH1      ARG  41   7.009  13.186   6.624
  284   1HH2  ARG  41          1HH2      ARG  41   4.905  11.103   8.531
  285   2HH2  ARG  41          2HH2      ARG  41   5.842  12.560   8.529
  286    H    ILE  42           H        ILE  42   3.361  10.544  -0.120
  287    HA   ILE  42           HA       ILE  42   3.531  13.280  -1.089
  288    HB   ILE  42           HB       ILE  42   5.515  12.099  -2.543
  289   1HG1  ILE  42          1HG1      ILE  42   7.092  11.118  -0.896
  290   2HG1  ILE  42          2HG1      ILE  42   5.829  11.145   0.319
  291   1HG2  ILE  42          1HG2      ILE  42   5.255  14.151  -0.488
  292   2HG2  ILE  42          2HG2      ILE  42   6.873  13.410  -0.514
  293   3HG2  ILE  42          3HG2      ILE  42   6.206  14.143  -1.992
  294   1HD1  ILE  42          1HD1      ILE  42   4.992   9.880  -2.232
  295   2HD1  ILE  42          2HD1      ILE  42   6.316   9.034  -1.394
  296   3HD1  ILE  42          3HD1      ILE  42   4.771   9.319  -0.557
  297    HA   PRO  43           HA       PRO  43   1.047  11.385  -4.090
  298   1HB   PRO  43          1HB       PRO  43   0.756  13.502  -5.793
  299   2HB   PRO  43          2HB       PRO  43  -0.211  13.296  -4.346
  300   1HG   PRO  43          1HG       PRO  43   2.031  15.162  -4.827
  301   2HG   PRO  43          2HG       PRO  43   0.799  15.224  -3.583
  302   1HD   PRO  43          1HD       PRO  43   3.523  14.384  -3.261
  303   2HD   PRO  43          2HD       PRO  43   2.261  14.337  -2.046
  304    H    GLY  44           H        GLY  44   3.940  13.087  -5.058
  305   1HA   GLY  44          1HA       GLY  44   5.586  12.349  -6.437
  306   2HA   GLY  44          2HA       GLY  44   4.295  12.417  -7.621
  307    H    VAL  45           H        VAL  45   4.867  10.178  -4.816
  308    HA   VAL  45           HA       VAL  45   5.388   8.010  -6.657
  309    HB   VAL  45           HB       VAL  45   6.243   6.896  -4.863
  310   1HG1  VAL  45          1HG1      VAL  45   6.998   9.507  -5.085
  311   2HG1  VAL  45          2HG1      VAL  45   6.558   9.426  -3.362
  312   3HG1  VAL  45          3HG1      VAL  45   7.785   8.317  -4.020
  313   1HG2  VAL  45          1HG2      VAL  45   4.124   8.289  -3.237
  314   2HG2  VAL  45          2HG2      VAL  45   4.435   6.548  -3.439
  315   3HG2  VAL  45          3HG2      VAL  45   5.526   7.537  -2.439
  316    HA   PRO  46           HA       PRO  46   1.462   6.209  -6.424
  317   1HB   PRO  46          1HB       PRO  46   1.900   3.534  -6.079
  318   2HB   PRO  46          2HB       PRO  46   2.086   4.344  -7.621
  319   1HG   PRO  46          1HG       PRO  46   4.179   3.388  -5.766
  320   2HG   PRO  46          2HG       PRO  46   4.322   3.801  -7.463
  321   1HD   PRO  46          1HD       PRO  46   5.167   5.393  -5.231
  322   2HD   PRO  46          2HD       PRO  46   5.203   5.855  -6.921
  323    H    TRP  47           H        TRP  47   0.507   7.273  -4.694
  324    HA   TRP  47           HA       TRP  47   0.861   6.963  -2.108
  325   1HB   TRP  47          1HB       TRP  47  -1.589   7.276  -3.756
  326   2HB   TRP  47          2HB       TRP  47  -1.821   6.869  -2.067
  327    HD1  TRP  47           HD1      TRP  47   1.098   9.181  -3.061
  328    HE1  TRP  47           HE1      TRP  47   0.739  11.627  -2.138
  329    HE3  TRP  47           HE3      TRP  47  -3.653   8.425  -1.412
  330    HZ2  TRP  47           HZ2      TRP  47  -1.443  12.941  -0.850
  331    HZ3  TRP  47           HZ3      TRP  47  -4.826  10.342  -0.333
  332    HH2  TRP  47           HH2      TRP  47  -3.797  12.540  -0.041
  333    H    CYS  48           H        CYS  48  -1.122   4.663  -4.114
  334    HA   CYS  48           HA       CYS  48  -1.028   2.776  -1.915
  335   1HB   CYS  48          1HB       CYS  48  -3.125   3.354  -3.285
  336   2HB   CYS  48          2HB       CYS  48  -2.420   2.377  -4.558
  337    H    PHE  49           H        PHE  49   0.765   1.465  -1.835
  338    HA   PHE  49           HA       PHE  49   1.746   0.428  -4.393
  339   1HB   PHE  49          1HB       PHE  49   4.060   0.619  -3.183
  340   2HB   PHE  49          2HB       PHE  49   3.351   2.123  -3.736
  341    HD1  PHE  49           HD1      PHE  49   3.499  -0.049  -0.709
  342    HD2  PHE  49           HD2      PHE  49   3.146   3.889  -2.250
  343    HE1  PHE  49           HE1      PHE  49   3.641   0.874   1.620
  344    HE2  PHE  49           HE2      PHE  49   3.288   4.813   0.080
  345    HZ   PHE  49           HZ       PHE  49   3.533   3.295   1.987
  346    H    LYS  50           H        LYS  50   3.181  -1.567  -4.045
  347    HA   LYS  50           HA       LYS  50   1.749  -3.391  -2.432
  348   1HB   LYS  50          1HB       LYS  50   4.300  -3.602  -4.047
  349   2HB   LYS  50          2HB       LYS  50   3.616  -4.955  -3.169
  350   1HG   LYS  50          1HG       LYS  50   1.383  -4.023  -4.504
  351   2HG   LYS  50          2HG       LYS  50   2.644  -3.622  -5.653
  352   1HD   LYS  50          1HD       LYS  50   3.307  -6.229  -4.792
  353   2HD   LYS  50          2HD       LYS  50   1.560  -6.257  -4.926
  354   1HE   LYS  50          1HE       LYS  50   2.568  -4.841  -7.223
  355   2HE   LYS  50          2HE       LYS  50   3.526  -6.297  -7.049
  356   1HZ   LYS  50          1HZ       LYS  50   0.675  -6.590  -6.717
  357   2HZ   LYS  50          2HZ       LYS  50   1.201  -6.275  -8.231
  358   3HZ   LYS  50          3HZ       LYS  50   1.749  -7.591  -7.434
  359    HA   PRO  51           HA       PRO  51   4.015  -3.283   1.239
  360   1HB   PRO  51          1HB       PRO  51   4.086  -5.891   2.054
  361   2HB   PRO  51          2HB       PRO  51   2.678  -4.865   2.244
  362   1HG   PRO  51          1HG       PRO  51   3.136  -7.040   0.295
  363   2HG   PRO  51          2HG       PRO  51   1.622  -6.304   0.783
  364   1HD   PRO  51          1HD       PRO  51   3.053  -5.832  -1.658
  365   2HD   PRO  51          2HD       PRO  51   1.602  -5.012  -1.119
  366    H    LEU  52           H        LEU  52   6.052  -2.714   1.626
  367    HA   LEU  52           HA       LEU  52   8.120  -3.232   0.061
  368   1HB   LEU  52          1HB       LEU  52   8.300  -1.735   1.889
  369   2HB   LEU  52          2HB       LEU  52   8.039  -3.009   3.064
  370    HG   LEU  52           HG       LEU  52  10.469  -2.816   1.264
  371   1HD1  LEU  52          1HD1      LEU  52  10.008  -1.857   4.090
  372   2HD1  LEU  52          2HD1      LEU  52  11.630  -2.191   3.440
  373   3HD1  LEU  52          3HD1      LEU  52  10.609  -0.943   2.686
  374   1HD2  LEU  52          1HD2      LEU  52   9.467  -4.867   3.096
  375   2HD2  LEU  52          2HD2      LEU  52  10.717  -4.960   1.831
  376   3HD2  LEU  52          3HD2      LEU  52  11.134  -4.354   3.452
  377    H    GLN  53           H        GLN  53   9.554  -4.859  -0.460
  378    HA   GLN  53           HA       GLN  53   8.698  -7.459  -0.011
  379   1HB   GLN  53          1HB       GLN  53  11.021  -6.119  -1.310
  380   2HB   GLN  53          2HB       GLN  53  11.318  -7.768  -0.794
  381   1HG   GLN  53          1HG       GLN  53  10.274  -8.451  -2.691
  382   2HG   GLN  53          2HG       GLN  53   8.770  -7.907  -1.974
  383   2HE2  GLN  53          2HE2      GLN  53   8.628  -5.357  -2.023
  384   1HE2  GLN  53          1HE2      GLN  53   8.858  -4.645  -3.586
  385    H    GLU  54           H        GLU  54   8.463  -7.520   2.366
  386    HA   GLU  54           HA       GLU  54  10.429  -7.034   4.153
  387   1HB   GLU  54          1HB       GLU  54   9.137  -8.256   5.702
  388   2HB   GLU  54          2HB       GLU  54   7.961  -7.763   4.500
  389   1HG   GLU  54          1HG       GLU  54   8.428 -10.040   3.337
  390   2HG   GLU  54          2HG       GLU  54   9.269 -10.497   4.804
  391    H    ALA  55           H        ALA  55  12.493  -7.782   4.323
  392    HA   ALA  55           HA       ALA  55  12.966 -10.616   4.105
  393   1HB   ALA  55          1HB       ALA  55  13.918 -10.651   2.067
  394   2HB   ALA  55          2HB       ALA  55  13.278  -9.010   1.812
  395   3HB   ALA  55          3HB       ALA  55  14.924  -9.234   2.451
  396    H    GLU  56           H        GLU  56  13.485 -10.399   6.345
  397    HA   GLU  56           HA       GLU  56  15.245  -8.445   7.259
  398   1HB   GLU  56          1HB       GLU  56  15.315  -9.785   9.329
  399   2HB   GLU  56          2HB       GLU  56  13.673  -9.658   8.730
  400   1HG   GLU  56          1HG       GLU  56  14.654 -11.955   7.442
  401   2HG   GLU  56          2HG       GLU  56  15.372 -12.050   9.038
  402    H    CYS  57           H        CYS  57  17.384  -8.232   6.781
  403    HA   CYS  57           HA       CYS  57  19.181 -10.330   7.159
  404   1HB   CYS  57          1HB       CYS  57  18.043 -10.149   4.473
  405   2HB   CYS  57          2HB       CYS  57  19.789  -9.996   4.475
  406    H    THR  58           H        THR  58  18.718  -7.575   4.811
  407    HA   THR  58           HA       THR  58  20.727  -6.065   6.308
  408    HB   THR  58           HB       THR  58  21.859  -7.348   4.431
  409    HG1  THR  58           HG1      THR  58  23.023  -5.465   4.366
  410   1HG2  THR  58          1HG2      THR  58  19.589  -6.301   2.931
  411   2HG2  THR  58          2HG2      THR  58  21.099  -5.627   2.273
  412   3HG2  THR  58          3HG2      THR  58  20.879  -7.391   2.367
  413    H    PHE  59           H        PHE  59  20.401  -3.865   6.359
  414    HA   PHE  59           HA       PHE  59  19.184  -2.023   6.329
  415   1HB   PHE  59          1HB       PHE  59  19.333  -3.110   3.548
  416   2HB   PHE  59          2HB       PHE  59  17.998  -1.996   3.762
  417    HD1  PHE  59           HD1      PHE  59  21.665  -2.269   4.373
  418    HD2  PHE  59           HD2      PHE  59  18.374   0.286   3.565
  419    HE1  PHE  59           HE1      PHE  59  23.237  -0.333   4.096
  420    HE2  PHE  59           HE2      PHE  59  19.947   2.223   3.287
  421    HZ   PHE  59           HZ       PHE  59  22.359   1.890   3.556

  No H/Q in entry =         421
  Start of MODEL   37
    1    H    GLU   1           H        GLU   1   0.934 -10.567  23.102
    2    HA   GLU   1           HA       GLU   1   0.503 -12.000  21.013
    3   1HB   GLU   1          1HB       GLU   1  -0.774  -9.356  20.466
    4   2HB   GLU   1          2HB       GLU   1   0.198 -10.005  19.161
    5   1HG   GLU   1          1HG       GLU   1  -1.515 -12.068  20.390
    6   2HG   GLU   1          2HG       GLU   1  -2.451 -10.721  19.775
    7    H    GLU   2           H        GLU   2   1.911 -11.072  18.857
    8    HA   GLU   2           HA       GLU   2   4.393 -10.316  20.136
    9   1HB   GLU   2          1HB       GLU   2   3.655 -11.695  17.554
   10   2HB   GLU   2          2HB       GLU   2   5.216 -10.908  17.670
   11   1HG   GLU   2          1HG       GLU   2   5.761 -12.235  19.701
   12   2HG   GLU   2          2HG       GLU   2   4.179 -12.986  19.657
   13    H    TYR   3           H        TYR   3   3.175  -9.678  16.782
   14    HA   TYR   3           HA       TYR   3   3.124  -6.839  17.278
   15   1HB   TYR   3          1HB       TYR   3   5.520  -8.120  16.520
   16   2HB   TYR   3          2HB       TYR   3   4.840  -7.687  14.964
   17    HD1  TYR   3           HD1      TYR   3   5.540  -6.146  18.315
   18    HD2  TYR   3           HD2      TYR   3   5.332  -5.593  14.077
   19    HE1  TYR   3           HE1      TYR   3   6.441  -3.782  18.572
   20    HE2  TYR   3           HE2      TYR   3   6.234  -3.231  14.349
   21    HH   TYR   3           HH       TYR   3   7.683  -2.046  16.066
   22    H    VAL   4           H        VAL   4   2.870  -5.738  14.894
   23    HA   VAL   4           HA       VAL   4   1.617  -7.350  12.944
   24    HB   VAL   4           HB       VAL   4  -0.065  -7.253  14.881
   25   1HG1  VAL   4          1HG1      VAL   4   0.347  -4.715  15.151
   26   2HG1  VAL   4          2HG1      VAL   4  -0.747  -4.535  13.759
   27   3HG1  VAL   4          3HG1      VAL   4  -1.327  -5.314  15.251
   28   1HG2  VAL   4          1HG2      VAL   4  -0.347  -7.381  12.106
   29   2HG2  VAL   4          2HG2      VAL   4  -1.557  -7.848  13.326
   30   3HG2  VAL   4          3HG2      VAL   4  -1.586  -6.212  12.625
   31    H    GLY   5           H        GLY   5   2.602  -6.327  11.267
   32   1HA   GLY   5          1HA       GLY   5   3.439  -4.646  10.006
   33   2HA   GLY   5          2HA       GLY   5   3.195  -3.530  11.335
   34    H    LEU   6           H        LEU   6   2.108  -4.499   8.236
   35    HA   LEU   6           HA       LEU   6   0.656  -3.380   6.927
   36   1HB   LEU   6          1HB       LEU   6  -1.431  -4.369   7.026
   37   2HB   LEU   6          2HB       LEU   6  -0.364  -5.537   7.782
   38    HG   LEU   6           HG       LEU   6  -1.248  -4.067   9.947
   39   1HD1  LEU   6          1HD1      LEU   6  -3.041  -3.467   7.846
   40   2HD1  LEU   6          2HD1      LEU   6  -3.882  -4.597   8.934
   41   3HD1  LEU   6          3HD1      LEU   6  -3.200  -3.084   9.577
   42   1HD2  LEU   6          1HD2      LEU   6  -1.108  -6.656   9.285
   43   2HD2  LEU   6          2HD2      LEU   6  -2.030  -6.062  10.688
   44   3HD2  LEU   6          3HD2      LEU   6  -2.870  -6.433   9.162
   45    H    SER   7           H        SER   7   1.636  -1.289   7.932
   46    HA   SER   7           HA       SER   7  -0.431   0.493   8.230
   47   1HB   SER   7          1HB       SER   7  -0.607   0.994  10.500
   48   2HB   SER   7          2HB       SER   7  -0.402  -0.746  10.560
   49    HG   SER   7           HG       SER   7   1.373  -0.444  11.702
   50    H    ALA   8           H        ALA   8   2.956  -0.432   8.911
   51    HA   ALA   8           HA       ALA   8   3.853   1.965   7.596
   52   1HB   ALA   8          1HB       ALA   8   4.590   3.122   9.387
   53   2HB   ALA   8          2HB       ALA   8   5.268   1.663  10.149
   54   3HB   ALA   8          3HB       ALA   8   3.547   2.062  10.365
   55    H    ASN   9           H        ASN   9   4.690  -0.947   9.580
   56    HA   ASN   9           HA       ASN   9   7.247  -1.242   8.675
   57   1HB   ASN   9          1HB       ASN   9   6.413  -2.610  10.511
   58   2HB   ASN   9          2HB       ASN   9   5.142  -3.291   9.516
   59   2HD2  ASN   9          2HD2      ASN   9   8.655  -3.028   9.858
   60   1HD2  ASN   9          1HD2      ASN   9   9.068  -4.565   9.175
   61    H    GLN  10           H        GLN  10   4.306  -3.119   7.587
   62    HA   GLN  10           HA       GLN  10   5.542  -4.203   5.370
   63   1HB   GLN  10          1HB       GLN  10   3.191  -4.637   6.637
   64   2HB   GLN  10          2HB       GLN  10   2.584  -3.695   5.290
   65   1HG   GLN  10          1HG       GLN  10   3.961  -5.285   3.762
   66   2HG   GLN  10          2HG       GLN  10   4.146  -6.306   5.173
   67   2HE2  GLN  10          2HE2      GLN  10   1.591  -4.435   3.535
   68   1HE2  GLN  10          1HE2      GLN  10   0.356  -5.648   3.599
   69    H    CYS  11           H        CYS  11   4.235  -1.010   5.965
   70    HA   CYS  11           HA       CYS  11   4.520  -0.434   3.105
   71   1HB   CYS  11          1HB       CYS  11   2.871   1.398   4.738
   72   2HB   CYS  11          2HB       CYS  11   2.682   0.879   3.075
   73    H    ALA  12           H        ALA  12   6.819  -0.480   4.583
   74    HA   ALA  12           HA       ALA  12   7.246   2.324   5.357
   75   1HB   ALA  12          1HB       ALA  12   9.382   0.904   6.362
   76   2HB   ALA  12          2HB       ALA  12   7.912   1.317   7.277
   77   3HB   ALA  12          3HB       ALA  12   8.059  -0.278   6.502
   78    H    VAL  13           H        VAL  13   7.210   2.189   2.731
   79    HA   VAL  13           HA       VAL  13   9.894   1.489   1.818
   80    HB   VAL  13           HB       VAL  13   7.914   2.502  -0.105
   81   1HG1  VAL  13          1HG1      VAL  13  10.156   0.665   0.022
   82   2HG1  VAL  13          2HG1      VAL  13   8.754  -0.093  -0.771
   83   3HG1  VAL  13          3HG1      VAL  13   9.403   1.445  -1.390
   84   1HG2  VAL  13          1HG2      VAL  13   7.344   0.043   1.564
   85   2HG2  VAL  13          2HG2      VAL  13   6.273   1.420   1.211
   86   3HG2  VAL  13          3HG2      VAL  13   6.686   0.260  -0.075
   87    HA   PRO  14           HA       PRO  14  11.038   5.654   1.682
   88   1HB   PRO  14          1HB       PRO  14  13.050   5.592  -0.167
   89   2HB   PRO  14          2HB       PRO  14  13.269   5.110   1.503
   90   1HG   PRO  14          1HG       PRO  14  13.050   3.407  -0.903
   91   2HG   PRO  14          2HG       PRO  14  13.681   2.996   0.679
   92   1HD   PRO  14          1HD       PRO  14  11.124   2.262  -0.392
   93   2HD   PRO  14          2HD       PRO  14  11.709   1.951   1.230
   94    H    ALA  15           H        ALA  15   9.294   4.238  -0.662
   95    HA   ALA  15           HA       ALA  15   7.827   5.268  -2.032
   96   1HB   ALA  15          1HB       ALA  15   8.685   7.449  -0.665
   97   2HB   ALA  15          2HB       ALA  15   7.591   7.542  -2.066
   98   3HB   ALA  15          3HB       ALA  15   9.335   7.827  -2.278
   99    H    LYS  16           H        LYS  16  11.336   5.341  -2.320
  100    HA   LYS  16           HA       LYS  16  11.198   5.541  -5.209
  101   1HB   LYS  16          1HB       LYS  16  13.629   5.586  -5.103
  102   2HB   LYS  16          2HB       LYS  16  12.940   6.772  -4.013
  103   1HG   LYS  16          1HG       LYS  16  14.419   5.825  -2.520
  104   2HG   LYS  16          2HG       LYS  16  13.104   4.693  -2.279
  105   1HD   LYS  16          1HD       LYS  16  14.693   3.115  -2.772
  106   2HD   LYS  16          2HD       LYS  16  14.316   3.522  -4.434
  107   1HE   LYS  16          1HE       LYS  16  16.245   4.854  -4.698
  108   2HE   LYS  16          2HE       LYS  16  16.384   5.182  -2.982
  109   1HZ   LYS  16          1HZ       LYS  16  16.942   2.821  -2.694
  110   2HZ   LYS  16          2HZ       LYS  16  16.948   2.627  -4.316
  111   3HZ   LYS  16          3HZ       LYS  16  18.031   3.625  -3.609
  112    H    ASP  17           H        ASP  17  10.337   3.203  -3.139
  113    HA   ASP  17           HA       ASP  17  11.431   1.156  -4.897
  114   1HB   ASP  17          1HB       ASP  17  12.603   0.858  -2.816
  115   2HB   ASP  17          2HB       ASP  17  11.160   1.156  -1.868
  116    H    ARG  18           H        ARG  18   8.828   2.806  -4.662
  117    HA   ARG  18           HA       ARG  18   6.905   1.000  -3.662
  118   1HB   ARG  18          1HB       ARG  18   6.383   3.334  -5.557
  119   2HB   ARG  18          2HB       ARG  18   5.275   2.649  -4.384
  120   1HG   ARG  18          1HG       ARG  18   7.917   3.793  -3.437
  121   2HG   ARG  18          2HG       ARG  18   6.601   4.883  -3.826
  122   1HD   ARG  18          1HD       ARG  18   5.330   2.934  -2.272
  123   2HD   ARG  18          2HD       ARG  18   6.905   3.057  -1.513
  124    HE   ARG  18           HE       ARG  18   5.583   5.634  -2.106
  125   1HH1  ARG  18          1HH1      ARG  18   6.230   3.127   0.278
  126   2HH1  ARG  18          2HH1      ARG  18   5.869   4.144   1.633
  127   1HH2  ARG  18          1HH2      ARG  18   5.107   6.976  -0.318
  128   2HH2  ARG  18          2HH2      ARG  18   5.225   6.348   1.291
  129    H    VAL  19           H        VAL  19   5.696  -0.550  -4.787
  130    HA   VAL  19           HA       VAL  19   6.515  -1.010  -7.541
  131    HB   VAL  19           HB       VAL  19   4.709  -2.777  -5.924
  132   1HG1  VAL  19          1HG1      VAL  19   6.635  -3.105  -8.217
  133   2HG1  VAL  19          2HG1      VAL  19   6.204  -4.497  -7.195
  134   3HG1  VAL  19          3HG1      VAL  19   4.935  -3.618  -8.082
  135   1HG2  VAL  19          1HG2      VAL  19   7.565  -2.154  -5.377
  136   2HG2  VAL  19          2HG2      VAL  19   6.285  -2.738  -4.287
  137   3HG2  VAL  19          3HG2      VAL  19   7.113  -3.876  -5.378
  138    H    ASP  20           H        ASP  20   4.114   0.659  -5.820
  139    HA   ASP  20           HA       ASP  20   2.189   1.510  -6.338
  140   1HB   ASP  20          1HB       ASP  20   3.160   2.540  -8.253
  141   2HB   ASP  20          2HB       ASP  20   3.331   1.016  -9.102
  142    H    CYS  21           H        CYS  21   0.454   0.217  -5.674
  143    HA   CYS  21           HA       CYS  21   0.058  -2.365  -6.787
  144   1HB   CYS  21          1HB       CYS  21  -0.521  -1.305  -4.404
  145   2HB   CYS  21          2HB       CYS  21  -2.068  -1.031  -5.180
  146    H    GLY  22           H        GLY  22  -0.890   0.919  -7.529
  147   1HA   GLY  22          1HA       GLY  22  -2.177   0.181  -9.932
  148   2HA   GLY  22          2HA       GLY  22  -2.115   1.777  -9.210
  149    H    TYR  23           H        TYR  23  -3.789   2.479  -7.750
  150    HA   TYR  23           HA       TYR  23  -6.240   0.914  -8.067
  151   1HB   TYR  23          1HB       TYR  23  -4.703   1.774  -5.596
  152   2HB   TYR  23          2HB       TYR  23  -6.446   1.943  -5.509
  153    HD1  TYR  23           HD1      TYR  23  -7.739  -0.277  -6.451
  154    HD2  TYR  23           HD2      TYR  23  -3.819  -0.185  -4.740
  155    HE1  TYR  23           HE1      TYR  23  -7.940  -2.737  -5.841
  156    HE2  TYR  23           HE2      TYR  23  -4.033  -2.645  -4.135
  157    HH   TYR  23           HH       TYR  23  -5.569  -4.651  -5.276
  158    HA   PRO  24           HA       PRO  24  -7.867   4.852  -8.832
  159   1HB   PRO  24          1HB       PRO  24 -10.541   4.352  -8.564
  160   2HB   PRO  24          2HB       PRO  24  -9.634   3.966 -10.013
  161   1HG   PRO  24          1HG       PRO  24 -10.621   2.144  -7.905
  162   2HG   PRO  24          2HG       PRO  24 -10.103   1.759  -9.534
  163   1HD   PRO  24          1HD       PRO  24  -8.616   1.343  -7.118
  164   2HD   PRO  24          2HD       PRO  24  -8.054   1.067  -8.755
  165    H    HIS  25           H        HIS  25 -10.004   3.573  -6.329
  166    HA   HIS  25           HA       HIS  25  -9.684   6.110  -4.967
  167   1HB   HIS  25          1HB       HIS  25 -11.613   5.492  -3.699
  168   2HB   HIS  25          2HB       HIS  25 -11.938   5.167  -5.390
  169    HD1  HIS  25           HD1      HIS  25 -13.632   3.726  -3.312
  170    HD2  HIS  25           HD2      HIS  25 -10.053   2.155  -4.834
  171    HE1  HIS  25           HE1      HIS  25 -13.751   1.202  -2.957
  172    HE2  HIS  25           HE2      HIS  25 -11.549   0.286  -3.961
  173    H    VAL  26           H        VAL  26  -7.496   5.885  -4.222
  174    HA   VAL  26           HA       VAL  26  -7.041   3.675  -2.369
  175    HB   VAL  26           HB       VAL  26  -4.687   4.462  -2.478
  176   1HG1  VAL  26          1HG1      VAL  26  -5.476   2.651  -3.925
  177   2HG1  VAL  26          2HG1      VAL  26  -5.985   3.835  -5.152
  178   3HG1  VAL  26          3HG1      VAL  26  -4.259   3.645  -4.761
  179   1HG2  VAL  26          1HG2      VAL  26  -5.795   6.806  -3.501
  180   2HG2  VAL  26          2HG2      VAL  26  -4.066   6.387  -3.437
  181   3HG2  VAL  26          3HG2      VAL  26  -5.011   6.047  -4.907
  182    H    THR  27           H        THR  27  -6.929   3.963  -0.177
  183    HA   THR  27           HA       THR  27  -6.598   6.657   0.862
  184    HB   THR  27           HB       THR  27  -8.725   6.782   1.884
  185    HG1  THR  27           HG1      THR  27  -9.933   4.701   2.138
  186   1HG2  THR  27          1HG2      THR  27  -9.177   5.059  -0.610
  187   2HG2  THR  27          2HG2      THR  27 -10.474   5.888   0.284
  188   3HG2  THR  27          3HG2      THR  27  -9.213   6.838  -0.538
  189    HA   PRO  28           HA       PRO  28  -4.694   4.599   4.115
  190   1HB   PRO  28          1HB       PRO  28  -5.398   5.980   6.366
  191   2HB   PRO  28          2HB       PRO  28  -4.186   6.547   5.234
  192   1HG   PRO  28          1HG       PRO  28  -6.959   7.499   5.611
  193   2HG   PRO  28          2HG       PRO  28  -5.621   8.302   4.813
  194   1HD   PRO  28          1HD       PRO  28  -7.829   6.978   3.548
  195   2HD   PRO  28          2HD       PRO  28  -6.434   7.680   2.754
  196    H    LYS  29           H        LYS  29  -7.051   3.311   3.256
  197    HA   LYS  29           HA       LYS  29  -7.306   1.474   5.322
  198   1HB   LYS  29          1HB       LYS  29  -8.561   3.572   6.255
  199   2HB   LYS  29          2HB       LYS  29  -9.833   3.098   5.147
  200   1HG   LYS  29          1HG       LYS  29  -8.727   0.837   6.726
  201   2HG   LYS  29          2HG       LYS  29  -9.478   2.078   7.709
  202   1HD   LYS  29          1HD       LYS  29 -11.578   1.895   6.486
  203   2HD   LYS  29          2HD       LYS  29 -10.847   0.875   5.263
  204   1HE   LYS  29          1HE       LYS  29 -10.821  -1.014   6.640
  205   2HE   LYS  29          2HE       LYS  29 -10.677  -0.077   8.114
  206   1HZ   LYS  29          1HZ       LYS  29 -13.102   0.466   6.769
  207   2HZ   LYS  29          2HZ       LYS  29 -12.958  -1.126   7.104
  208   3HZ   LYS  29          3HZ       LYS  29 -12.861  -0.027   8.308
  209    H    GLU  30           H        GLU  30  -8.890   3.151   2.557
  210    HA   GLU  30           HA       GLU  30 -10.213   0.786   1.743
  211   1HB   GLU  30          1HB       GLU  30 -11.157   2.984   1.223
  212   2HB   GLU  30          2HB       GLU  30  -9.717   3.446   0.339
  213   1HG   GLU  30          1HG       GLU  30 -10.455   2.425  -1.551
  214   2HG   GLU  30          2HG       GLU  30 -10.735   0.918  -0.701
  215    H    CYS  31           H        CYS  31  -7.149   2.464   0.953
  216    HA   CYS  31           HA       CYS  31  -6.603   0.835  -1.304
  217   1HB   CYS  31          1HB       CYS  31  -5.510   2.832  -1.462
  218   2HB   CYS  31          2HB       CYS  31  -5.166   2.923   0.254
  219    H    ASN  32           H        ASN  32  -6.116   0.705   2.214
  220    HA   ASN  32           HA       ASN  32  -4.237  -1.449   1.972
  221   1HB   ASN  32          1HB       ASN  32  -5.594  -0.536   4.545
  222   2HB   ASN  32          2HB       ASN  32  -4.017  -1.279   4.367
  223   2HD2  ASN  32          2HD2      ASN  32  -2.461   0.072   4.793
  224   1HD2  ASN  32          1HD2      ASN  32  -2.364   1.745   4.356
  225    H    ASN  33           H        ASN  33  -7.567  -1.073   1.688
  226    HA   ASN  33           HA       ASN  33  -8.189  -3.518   3.112
  227   1HB   ASN  33          1HB       ASN  33  -9.729  -1.640   3.505
  228   2HB   ASN  33          2HB       ASN  33  -9.934  -1.383   1.784
  229   2HD2  ASN  33          2HD2      ASN  33 -12.141  -1.638   1.886
  230   1HD2  ASN  33          1HD2      ASN  33 -12.921  -3.169   2.103
  231    H    ARG  34           H        ARG  34  -8.244  -1.911  -0.123
  232    HA   ARG  34           HA       ARG  34  -9.561  -3.828  -1.531
  233   1HB   ARG  34          1HB       ARG  34  -8.371  -1.448  -2.147
  234   2HB   ARG  34          2HB       ARG  34  -7.188  -2.533  -2.852
  235   1HG   ARG  34          1HG       ARG  34  -9.027  -1.824  -4.449
  236   2HG   ARG  34          2HG       ARG  34  -8.843  -3.560  -4.293
  237   1HD   ARG  34          1HD       ARG  34 -10.727  -2.404  -2.313
  238   2HD   ARG  34          2HD       ARG  34 -11.232  -2.154  -3.972
  239    HE   ARG  34           HE       ARG  34 -11.275  -4.654  -2.555
  240   1HH1  ARG  34          1HH1      ARG  34 -10.558  -3.336  -5.738
  241   2HH1  ARG  34          2HH1      ARG  34 -10.944  -4.803  -6.573
  242   1HH2  ARG  34          1HH2      ARG  34 -11.785  -6.590  -3.656
  243   2HH2  ARG  34          2HH2      ARG  34 -11.647  -6.667  -5.381
  244    H    GLY  35           H        GLY  35  -6.258  -3.784  -0.242
  245   1HA   GLY  35          1HA       GLY  35  -5.723  -6.368  -1.583
  246   2HA   GLY  35          2HA       GLY  35  -5.366  -6.060   0.105
  247    H    CYS  36           H        CYS  36  -3.870  -4.123   0.576
  248    HA   CYS  36           HA       CYS  36  -1.453  -4.490  -0.570
  249   1HB   CYS  36          1HB       CYS  36  -3.081  -3.117  -2.427
  250   2HB   CYS  36          2HB       CYS  36  -1.967  -1.929  -1.780
  251    H    CYS  37           H        CYS  37  -0.499  -1.711  -0.560
  252    HA   CYS  37           HA       CYS  37  -1.210  -0.993   2.192
  253   1HB   CYS  37          1HB       CYS  37   1.418  -1.319   0.864
  254   2HB   CYS  37          2HB       CYS  37   1.253   0.088   1.895
  255    H    PHE  38           H        PHE  38  -1.212   1.355   2.633
  256    HA   PHE  38           HA       PHE  38  -1.552   2.910   0.165
  257   1HB   PHE  38          1HB       PHE  38  -3.653   2.582   1.441
  258   2HB   PHE  38          2HB       PHE  38  -2.852   2.979   2.948
  259    HD1  PHE  38           HD1      PHE  38  -4.066   4.387  -0.241
  260    HD2  PHE  38           HD2      PHE  38  -2.617   5.235   3.657
  261    HE1  PHE  38           HE1      PHE  38  -4.749   6.788  -0.509
  262    HE2  PHE  38           HE2      PHE  38  -3.300   7.635   3.389
  263    HZ   PHE  38           HZ       PHE  38  -4.358   8.383   1.309
  264    H    ASP  39           H        ASP  39  -1.354   5.413   0.723
  265    HA   ASP  39           HA       ASP  39   0.237   6.182   2.838
  266   1HB   ASP  39          1HB       ASP  39   2.075   4.959   1.837
  267   2HB   ASP  39          2HB       ASP  39   1.702   5.573   0.239
  268    H    SER  40           H        SER  40   0.389   8.518   2.814
  269    HA   SER  40           HA       SER  40  -0.457   9.765   0.325
  270   1HB   SER  40          1HB       SER  40  -1.920  11.306   1.583
  271   2HB   SER  40          2HB       SER  40  -2.422   9.643   1.814
  272    HG   SER  40           HG       SER  40  -0.698  10.040   3.777
  273    H    ARG  41           H        ARG  41   2.115   9.313   2.083
  274    HA   ARG  41           HA       ARG  41   2.838  11.690   3.222
  275   1HB   ARG  41          1HB       ARG  41   4.014   9.250   2.966
  276   2HB   ARG  41          2HB       ARG  41   4.946  10.112   1.759
  277   1HG   ARG  41          1HG       ARG  41   6.052  11.381   3.321
  278   2HG   ARG  41          2HG       ARG  41   4.615  11.619   4.296
  279   1HD   ARG  41          1HD       ARG  41   5.505   8.809   4.340
  280   2HD   ARG  41          2HD       ARG  41   6.764   9.896   4.890
  281    HE   ARG  41           HE       ARG  41   4.166  10.517   6.070
  282   1HH1  ARG  41          1HH1      ARG  41   7.016   8.474   6.354
  283   2HH1  ARG  41          2HH1      ARG  41   6.801   8.190   8.049
  284   1HH2  ARG  41          1HH2      ARG  41   3.881  10.143   8.306
  285   2HH2  ARG  41          2HH2      ARG  41   5.005   9.146   9.167
  286    H    ILE  42           H        ILE  42   3.437  10.450  -0.143
  287    HA   ILE  42           HA       ILE  42   3.550  13.211  -1.048
  288    HB   ILE  42           HB       ILE  42   5.573  12.106  -2.509
  289   1HG1  ILE  42          1HG1      ILE  42   7.158  11.126  -0.876
  290   2HG1  ILE  42          2HG1      ILE  42   5.895  11.113   0.338
  291   1HG2  ILE  42          1HG2      ILE  42   5.241  14.117  -0.429
  292   2HG2  ILE  42          2HG2      ILE  42   6.875  13.411  -0.434
  293   3HG2  ILE  42          3HG2      ILE  42   6.222  14.151  -1.915
  294   1HD1  ILE  42          1HD1      ILE  42   5.053   9.871  -2.213
  295   2HD1  ILE  42          2HD1      ILE  42   6.424   9.046  -1.434
  296   3HD1  ILE  42          3HD1      ILE  42   4.896   9.264  -0.548
  297    HA   PRO  43           HA       PRO  43   1.156  11.353  -4.139
  298   1HB   PRO  43          1HB       PRO  43   0.923  13.475  -5.845
  299   2HB   PRO  43          2HB       PRO  43  -0.081  13.274  -4.423
  300   1HG   PRO  43          1HG       PRO  43   2.187  15.123  -4.846
  301   2HG   PRO  43          2HG       PRO  43   0.925  15.193  -3.631
  302   1HD   PRO  43          1HD       PRO  43   3.634  14.331  -3.244
  303   2HD   PRO  43          2HD       PRO  43   2.342  14.292  -2.061
  304    H    GLY  44           H        GLY  44   4.061  13.067  -5.067
  305   1HA   GLY  44          1HA       GLY  44   5.740  12.320  -6.404
  306   2HA   GLY  44          2HA       GLY  44   4.472  12.375  -7.612
  307    H    VAL  45           H        VAL  45   4.833  10.148  -4.776
  308    HA   VAL  45           HA       VAL  45   5.432   7.968  -6.603
  309    HB   VAL  45           HB       VAL  45   6.274   6.858  -4.796
  310   1HG1  VAL  45          1HG1      VAL  45   7.124   9.397  -5.089
  311   2HG1  VAL  45          2HG1      VAL  45   6.595   9.462  -3.391
  312   3HG1  VAL  45          3HG1      VAL  45   7.816   8.270  -3.898
  313   1HG2  VAL  45          1HG2      VAL  45   4.194   8.315  -3.172
  314   2HG2  VAL  45          2HG2      VAL  45   4.453   6.565  -3.369
  315   3HG2  VAL  45          3HG2      VAL  45   5.580   7.525  -2.382
  316    HA   PRO  46           HA       PRO  46   1.490   6.207  -6.371
  317   1HB   PRO  46          1HB       PRO  46   1.918   3.523  -6.081
  318   2HB   PRO  46          2HB       PRO  46   2.090   4.361  -7.610
  319   1HG   PRO  46          1HG       PRO  46   4.200   3.360  -5.797
  320   2HG   PRO  46          2HG       PRO  46   4.325   3.805  -7.488
  321   1HD   PRO  46          1HD       PRO  46   5.204   5.350  -5.237
  322   2HD   PRO  46          2HD       PRO  46   5.223   5.843  -6.919
  323    H    TRP  47           H        TRP  47   0.592   7.263  -4.596
  324    HA   TRP  47           HA       TRP  47   0.960   6.910  -2.029
  325   1HB   TRP  47          1HB       TRP  47  -1.539   7.185  -3.626
  326   2HB   TRP  47          2HB       TRP  47  -1.703   6.821  -1.920
  327    HD1  TRP  47           HD1      TRP  47   1.181   9.112  -3.023
  328    HE1  TRP  47           HE1      TRP  47   0.825  11.585  -2.174
  329    HE3  TRP  47           HE3      TRP  47  -3.558   8.404  -1.322
  330    HZ2  TRP  47           HZ2      TRP  47  -1.350  12.938  -0.915
  331    HZ3  TRP  47           HZ3      TRP  47  -4.727  10.352  -0.296
  332    HH2  TRP  47           HH2      TRP  47  -3.699  12.559  -0.079
  333    H    CYS  48           H        CYS  48  -1.023   4.616  -4.042
  334    HA   CYS  48           HA       CYS  48  -0.893   2.705  -1.864
  335   1HB   CYS  48          1HB       CYS  48  -2.997   3.300  -3.258
  336   2HB   CYS  48          2HB       CYS  48  -2.294   2.270  -4.490
  337    H    PHE  49           H        PHE  49   0.900   1.394  -1.817
  338    HA   PHE  49           HA       PHE  49   1.871   0.402  -4.395
  339   1HB   PHE  49          1HB       PHE  49   4.193   0.594  -3.202
  340   2HB   PHE  49          2HB       PHE  49   3.470   2.100  -3.729
  341    HD1  PHE  49           HD1      PHE  49   3.734  -0.107  -0.741
  342    HD2  PHE  49           HD2      PHE  49   3.189   3.837  -2.208
  343    HE1  PHE  49           HE1      PHE  49   3.889   0.785   1.600
  344    HE2  PHE  49           HE2      PHE  49   3.344   4.729   0.133
  345    HZ   PHE  49           HZ       PHE  49   3.692   3.192   2.009
  346    H    LYS  50           H        LYS  50   3.324  -1.587  -4.085
  347    HA   LYS  50           HA       LYS  50   1.915  -3.454  -2.515
  348   1HB   LYS  50          1HB       LYS  50   4.470  -3.566  -4.125
  349   2HB   LYS  50          2HB       LYS  50   3.880  -4.949  -3.225
  350   1HG   LYS  50          1HG       LYS  50   1.576  -4.147  -4.533
  351   2HG   LYS  50          2HG       LYS  50   2.800  -3.705  -5.707
  352   1HD   LYS  50          1HD       LYS  50   3.574  -6.275  -4.777
  353   2HD   LYS  50          2HD       LYS  50   1.834  -6.367  -4.961
  354   1HE   LYS  50          1HE       LYS  50   2.702  -4.971  -7.264
  355   2HE   LYS  50          2HE       LYS  50   3.914  -6.215  -7.032
  356   1HZ   LYS  50          1HZ       LYS  50   1.373  -7.297  -6.605
  357   2HZ   LYS  50          2HZ       LYS  50   1.384  -6.529  -8.046
  358   3HZ   LYS  50          3HZ       LYS  50   2.477  -7.703  -7.738
  359    HA   PRO  51           HA       PRO  51   4.111  -3.376   1.199
  360   1HB   PRO  51          1HB       PRO  51   4.252  -5.998   1.955
  361   2HB   PRO  51          2HB       PRO  51   2.808  -5.024   2.141
  362   1HG   PRO  51          1HG       PRO  51   3.374  -7.136   0.152
  363   2HG   PRO  51          2HG       PRO  51   1.828  -6.461   0.626
  364   1HD   PRO  51          1HD       PRO  51   3.289  -5.885  -1.774
  365   2HD   PRO  51          2HD       PRO  51   1.801  -5.125  -1.245
  366    H    LEU  52           H        LEU  52   6.120  -2.735   1.616
  367    HA   LEU  52           HA       LEU  52   8.236  -3.108   0.112
  368   1HB   LEU  52          1HB       LEU  52   8.537  -1.741   1.933
  369   2HB   LEU  52          2HB       LEU  52   7.942  -2.929   3.076
  370    HG   LEU  52           HG       LEU  52  10.572  -3.266   1.624
  371   1HD1  LEU  52          1HD1      LEU  52   9.941  -1.282   3.575
  372   2HD1  LEU  52          2HD1      LEU  52  11.007  -2.492   4.327
  373   3HD1  LEU  52          3HD1      LEU  52  11.513  -1.666   2.834
  374   1HD2  LEU  52          1HD2      LEU  52   9.054  -4.959   3.296
  375   2HD2  LEU  52          2HD2      LEU  52  10.709  -5.205   2.690
  376   3HD2  LEU  52          3HD2      LEU  52  10.445  -4.408   4.259
  377    H    GLN  53           H        GLN  53   9.809  -4.629  -0.412
  378    HA   GLN  53           HA       GLN  53   9.008  -7.282  -0.247
  379   1HB   GLN  53          1HB       GLN  53  11.251  -5.743  -1.372
  380   2HB   GLN  53          2HB       GLN  53  11.755  -7.327  -0.818
  381   1HG   GLN  53          1HG       GLN  53  10.964  -7.294  -3.220
  382   2HG   GLN  53          2HG       GLN  53  10.104  -8.440  -2.210
  383   2HE2  GLN  53          2HE2      GLN  53   9.815  -4.909  -2.365
  384   1HE2  GLN  53          1HE2      GLN  53   8.158  -4.838  -2.863
  385    H    GLU  54           H        GLU  54   8.620  -7.469   2.127
  386    HA   GLU  54           HA       GLU  54  10.331  -7.092   4.108
  387   1HB   GLU  54          1HB       GLU  54   9.070  -8.625   5.360
  388   2HB   GLU  54          2HB       GLU  54   7.969  -8.212   4.060
  389   1HG   GLU  54          1HG       GLU  54   9.767 -10.681   4.163
  390   2HG   GLU  54          2HG       GLU  54   8.032 -10.664   4.413
  391    H    ALA  55           H        ALA  55  12.400  -7.679   4.602
  392    HA   ALA  55           HA       ALA  55  13.336 -10.266   3.594
  393   1HB   ALA  55          1HB       ALA  55  15.399  -8.188   3.600
  394   2HB   ALA  55          2HB       ALA  55  14.943  -9.334   2.317
  395   3HB   ALA  55          3HB       ALA  55  14.059  -7.800   2.494
  396    H    GLU  56           H        GLU  56  12.396 -10.278   6.062
  397    HA   GLU  56           HA       GLU  56  12.905 -10.717   8.127
  398   1HB   GLU  56          1HB       GLU  56  15.146 -11.560   6.785
  399   2HB   GLU  56          2HB       GLU  56  15.863 -10.413   7.899
  400   1HG   GLU  56          1HG       GLU  56  15.860 -12.212   9.330
  401   2HG   GLU  56          2HG       GLU  56  14.210 -11.706   9.634
  402    H    CYS  57           H        CYS  57  15.696  -8.529   7.318
  403    HA   CYS  57           HA       CYS  57  16.337  -6.607   8.159
  404   1HB   CYS  57          1HB       CYS  57  13.897  -6.113   7.230
  405   2HB   CYS  57          2HB       CYS  57  13.569  -5.791   8.921
  406    H    THR  58           H        THR  58  16.965  -8.453   9.900
  407    HA   THR  58           HA       THR  58  16.155  -7.347  12.488
  408    HB   THR  58           HB       THR  58  16.047  -9.800  13.290
  409    HG1  THR  58           HG1      THR  58  15.713 -11.267  11.427
  410   1HG2  THR  58          1HG2      THR  58  14.013  -8.246  12.279
  411   2HG2  THR  58          2HG2      THR  58  13.978  -9.608  11.133
  412   3HG2  THR  58          3HG2      THR  58  13.769  -9.906  12.875
  413    H    PHE  59           H        PHE  59  18.311  -9.818  10.926
  414    HA   PHE  59           HA       PHE  59  20.330  -9.310  12.878
  415   1HB   PHE  59          1HB       PHE  59  19.998 -10.891  10.279
  416   2HB   PHE  59          2HB       PHE  59  21.579 -10.790  11.029
  417    HD1  PHE  59           HD1      PHE  59  18.126 -11.313  12.371
  418    HD2  PHE  59           HD2      PHE  59  22.106 -12.757  12.092
  419    HE1  PHE  59           HE1      PHE  59  17.535 -13.233  13.876
  420    HE2  PHE  59           HE2      PHE  59  21.515 -14.678  13.596
  421    HZ   PHE  59           HZ       PHE  59  19.236 -14.893  14.470

  No H/Q in entry =         421
  Start of MODEL   38
    1    H    GLU   1           H        GLU   1  -2.435  -7.476  23.636
    2    HA   GLU   1           HA       GLU   1  -0.169  -7.093  23.591
    3   1HB   GLU   1          1HB       GLU   1  -1.241  -7.751  20.824
    4   2HB   GLU   1          2HB       GLU   1   0.478  -7.770  21.165
    5   1HG   GLU   1          1HG       GLU   1   0.013  -9.374  23.087
    6   2HG   GLU   1          2HG       GLU   1  -1.661  -9.433  22.574
    7    H    GLU   2           H        GLU   2   1.665  -6.221  21.819
    8    HA   GLU   2           HA       GLU   2   0.867  -3.468  21.279
    9   1HB   GLU   2          1HB       GLU   2   3.113  -2.727  21.953
   10   2HB   GLU   2          2HB       GLU   2   2.337  -3.582  23.271
   11   1HG   GLU   2          1HG       GLU   2   3.552  -5.709  22.376
   12   2HG   GLU   2          2HG       GLU   2   4.518  -4.609  21.413
   13    H    TYR   3           H        TYR   3   3.186  -2.589  19.962
   14    HA   TYR   3           HA       TYR   3   4.129  -2.561  17.956
   15   1HB   TYR   3          1HB       TYR   3   5.496  -4.434  18.465
   16   2HB   TYR   3          2HB       TYR   3   4.120  -5.435  18.885
   17    HD1  TYR   3           HD1      TYR   3   5.852  -3.927  15.930
   18    HD2  TYR   3           HD2      TYR   3   3.369  -7.086  17.398
   19    HE1  TYR   3           HE1      TYR   3   6.020  -5.111  13.687
   20    HE2  TYR   3           HE2      TYR   3   3.545  -8.260  15.150
   21    HH   TYR   3           HH       TYR   3   4.300  -8.172  13.132
   22    H    VAL   4           H        VAL   4   3.370  -2.173  15.913
   23    HA   VAL   4           HA       VAL   4   0.848  -3.501  15.230
   24    HB   VAL   4           HB       VAL   4   0.379  -1.596  13.869
   25   1HG1  VAL   4          1HG1      VAL   4   1.021  -1.331  16.709
   26   2HG1  VAL   4          2HG1      VAL   4   1.074   0.226  15.848
   27   3HG1  VAL   4          3HG1      VAL   4  -0.401  -0.768  15.798
   28   1HG2  VAL   4          1HG2      VAL   4   3.275  -0.952  14.311
   29   2HG2  VAL   4          2HG2      VAL   4   2.305  -0.886  12.820
   30   3HG2  VAL   4          3HG2      VAL   4   2.122   0.380  14.057
   31    H    GLY   5           H        GLY   5   1.274  -2.472  12.386
   32   1HA   GLY   5          1HA       GLY   5   2.985  -4.714  11.529
   33   2HA   GLY   5          2HA       GLY   5   3.252  -3.105  10.886
   34    H    LEU   6           H        LEU   6  -0.068  -3.686  11.693
   35    HA   LEU   6           HA       LEU   6  -0.794  -4.958   9.249
   36   1HB   LEU   6          1HB       LEU   6  -2.906  -5.029  10.098
   37   2HB   LEU   6          2HB       LEU   6  -1.944  -4.999  11.562
   38    HG   LEU   6           HG       LEU   6  -3.782  -3.552  11.918
   39   1HD1  LEU   6          1HD1      LEU   6  -1.582  -2.730  12.711
   40   2HD1  LEU   6          2HD1      LEU   6  -1.439  -1.762  11.224
   41   3HD1  LEU   6          3HD1      LEU   6  -2.746  -1.425  12.384
   42   1HD2  LEU   6          1HD2      LEU   6  -4.046  -3.282   9.294
   43   2HD2  LEU   6          2HD2      LEU   6  -4.733  -2.102  10.436
   44   3HD2  LEU   6          3HD2      LEU   6  -3.195  -1.751   9.611
   45    H    SER   7           H        SER   7   0.398  -1.904   9.912
   46    HA   SER   7           HA       SER   7  -0.317  -0.984   7.374
   47   1HB   SER   7          1HB       SER   7  -1.511   1.144   8.293
   48   2HB   SER   7          2HB       SER   7  -2.447  -0.328   8.126
   49    HG   SER   7           HG       SER   7  -2.899   0.462  10.181
   50    H    ALA   8           H        ALA   8   2.113  -1.074   7.684
   51    HA   ALA   8           HA       ALA   8   3.249   1.378   7.842
   52   1HB   ALA   8          1HB       ALA   8   2.831   0.161  10.539
   53   2HB   ALA   8          2HB       ALA   8   4.419   0.903  10.227
   54   3HB   ALA   8          3HB       ALA   8   2.935   1.872  10.060
   55    H    ASN   9           H        ASN   9   4.396  -1.445   9.781
   56    HA   ASN   9           HA       ASN   9   6.831  -1.614   8.728
   57   1HB   ASN   9          1HB       ASN   9   5.155  -3.273  10.314
   58   2HB   ASN   9          2HB       ASN   9   5.696  -4.319   9.015
   59   2HD2  ASN   9          2HD2      ASN   9   7.648  -5.175   9.088
   60   1HD2  ASN   9          1HD2      ASN   9   8.917  -4.762  10.193
   61    H    GLN  10           H        GLN  10   3.735  -2.835   7.371
   62    HA   GLN  10           HA       GLN  10   5.020  -4.250   5.270
   63   1HB   GLN  10          1HB       GLN  10   2.579  -4.467   6.440
   64   2HB   GLN  10          2HB       GLN  10   2.129  -3.486   5.060
   65   1HG   GLN  10          1HG       GLN  10   3.393  -5.191   3.592
   66   2HG   GLN  10          2HG       GLN  10   3.497  -6.210   5.014
   67   2HE2  GLN  10          2HE2      GLN  10   1.423  -6.611   6.181
   68   1HE2  GLN  10          1HE2      GLN  10  -0.003  -6.907   5.243
   69    H    CYS  11           H        CYS  11   3.598  -1.018   5.786
   70    HA   CYS  11           HA       CYS  11   4.251  -0.395   2.999
   71   1HB   CYS  11          1HB       CYS  11   2.491   1.428   4.542
   72   2HB   CYS  11          2HB       CYS  11   2.475   1.011   2.840
   73    H    ALA  12           H        ALA  12   6.380  -0.538   4.752
   74    HA   ALA  12           HA       ALA  12   6.785   2.196   5.720
   75   1HB   ALA  12          1HB       ALA  12   8.899   0.297   6.340
   76   2HB   ALA  12          2HB       ALA  12   7.851   1.221   7.443
   77   3HB   ALA  12          3HB       ALA  12   7.309  -0.352   6.810
   78    H    VAL  13           H        VAL  13   6.718   1.899   2.923
   79    HA   VAL  13           HA       VAL  13   9.501   1.670   2.105
   80    HB   VAL  13           HB       VAL  13   7.492   2.423   0.111
   81   1HG1  VAL  13          1HG1      VAL  13   9.897   0.808   0.367
   82   2HG1  VAL  13          2HG1      VAL  13   8.615  -0.068  -0.504
   83   3HG1  VAL  13          3HG1      VAL  13   9.155   1.527  -1.083
   84   1HG2  VAL  13          1HG2      VAL  13   7.081  -0.019   1.837
   85   2HG2  VAL  13          2HG2      VAL  13   5.892   1.190   1.298
   86   3HG2  VAL  13          3HG2      VAL  13   6.552   0.013   0.137
   87    HA   PRO  14           HA       PRO  14  10.062   5.952   1.990
   88   1HB   PRO  14          1HB       PRO  14  12.035   6.201   0.115
   89   2HB   PRO  14          2HB       PRO  14  12.343   5.725   1.774
   90   1HG   PRO  14          1HG       PRO  14  12.326   4.050  -0.662
   91   2HG   PRO  14          2HG       PRO  14  13.031   3.703   0.904
   92   1HD   PRO  14          1HD       PRO  14  10.583   2.641  -0.149
   93   2HD   PRO  14          2HD       PRO  14  11.230   2.386   1.459
   94    H    ALA  15           H        ALA  15  10.257   4.833  -1.364
   95    HA   ALA  15           HA       ALA  15   7.918   5.733  -2.291
   96   1HB   ALA  15          1HB       ALA  15   9.533   7.996  -1.426
   97   2HB   ALA  15          2HB       ALA  15   7.848   7.963  -2.000
   98   3HB   ALA  15          3HB       ALA  15   9.185   8.092  -3.169
   99    H    LYS  16           H        LYS  16  11.387   5.339  -2.589
  100    HA   LYS  16           HA       LYS  16  11.208   5.235  -5.493
  101   1HB   LYS  16          1HB       LYS  16  13.615   5.164  -5.460
  102   2HB   LYS  16          2HB       LYS  16  13.066   6.469  -4.427
  103   1HG   LYS  16          1HG       LYS  16  14.609   5.490  -2.995
  104   2HG   LYS  16          2HG       LYS  16  13.182   4.588  -2.524
  105   1HD   LYS  16          1HD       LYS  16  14.072   2.633  -3.264
  106   2HD   LYS  16          2HD       LYS  16  14.438   3.319  -4.834
  107   1HE   LYS  16          1HE       LYS  16  16.583   4.115  -4.122
  108   2HE   LYS  16          2HE       LYS  16  16.175   3.966  -2.424
  109   1HZ   LYS  16          1HZ       LYS  16  15.959   1.518  -2.923
  110   2HZ   LYS  16          2HZ       LYS  16  16.736   1.819  -4.328
  111   3HZ   LYS  16          3HZ       LYS  16  17.472   2.132  -2.904
  112    H    ASP  17           H        ASP  17  10.376   3.250  -2.997
  113    HA   ASP  17           HA       ASP  17  11.352   0.904  -4.427
  114   1HB   ASP  17          1HB       ASP  17  11.244   1.599  -1.587
  115   2HB   ASP  17          2HB       ASP  17  10.337   0.129  -1.882
  116    H    ARG  18           H        ARG  18   8.796   2.867  -4.410
  117    HA   ARG  18           HA       ARG  18   6.709   1.112  -3.666
  118   1HB   ARG  18          1HB       ARG  18   6.409   3.557  -5.458
  119   2HB   ARG  18          2HB       ARG  18   5.231   2.892  -4.344
  120   1HG   ARG  18          1HG       ARG  18   7.881   4.187  -3.543
  121   2HG   ARG  18          2HG       ARG  18   6.309   4.954  -3.438
  122   1HD   ARG  18          1HD       ARG  18   5.599   2.965  -1.930
  123   2HD   ARG  18          2HD       ARG  18   7.297   2.536  -1.863
  124    HE   ARG  18           HE       ARG  18   7.588   4.254  -0.321
  125   1HH1  ARG  18          1HH1      ARG  18   4.824   5.047  -2.349
  126   2HH1  ARG  18          2HH1      ARG  18   4.456   6.509  -1.496
  127   1HH2  ARG  18          1HH2      ARG  18   7.102   6.182   0.805
  128   2HH2  ARG  18          2HH2      ARG  18   5.760   7.159   0.310
  129    H    VAL  19           H        VAL  19   5.996  -0.595  -4.904
  130    HA   VAL  19           HA       VAL  19   6.803  -0.733  -7.668
  131    HB   VAL  19           HB       VAL  19   5.133  -2.658  -6.046
  132   1HG1  VAL  19          1HG1      VAL  19   6.421  -2.710  -8.728
  133   2HG1  VAL  19          2HG1      VAL  19   6.544  -4.193  -7.751
  134   3HG1  VAL  19          3HG1      VAL  19   4.946  -3.516  -8.144
  135   1HG2  VAL  19          1HG2      VAL  19   7.216  -2.219  -4.847
  136   2HG2  VAL  19          2HG2      VAL  19   7.239  -3.850  -5.559
  137   3HG2  VAL  19          3HG2      VAL  19   8.155  -2.531  -6.327
  138    H    ASP  20           H        ASP  20   4.309   0.763  -5.973
  139    HA   ASP  20           HA       ASP  20   2.385   1.594  -6.523
  140   1HB   ASP  20          1HB       ASP  20   3.356   2.642  -8.430
  141   2HB   ASP  20          2HB       ASP  20   3.558   1.122  -9.278
  142    H    CYS  21           H        CYS  21   0.539   0.404  -6.020
  143    HA   CYS  21           HA       CYS  21   0.234  -2.218  -7.167
  144   1HB   CYS  21          1HB       CYS  21  -0.357  -1.140  -4.712
  145   2HB   CYS  21          2HB       CYS  21  -1.933  -1.176  -5.477
  146    H    GLY  22           H        GLY  22  -0.820   1.090  -7.646
  147   1HA   GLY  22          1HA       GLY  22  -2.201   0.459 -10.038
  148   2HA   GLY  22          2HA       GLY  22  -2.107   2.018  -9.244
  149    H    TYR  23           H        TYR  23  -3.769   2.712  -7.826
  150    HA   TYR  23           HA       TYR  23  -6.200   1.115  -8.034
  151   1HB   TYR  23          1HB       TYR  23  -4.599   1.970  -5.589
  152   2HB   TYR  23          2HB       TYR  23  -6.345   2.008  -5.448
  153    HD1  TYR  23           HD1      TYR  23  -3.479  -0.245  -6.230
  154    HD2  TYR  23           HD2      TYR  23  -7.576   0.031  -5.028
  155    HE1  TYR  23           HE1      TYR  23  -3.499  -2.732  -5.702
  156    HE2  TYR  23           HE2      TYR  23  -7.582  -2.457  -4.504
  157    HH   TYR  23           HH       TYR  23  -6.239  -4.478  -5.357
  158    HA   PRO  24           HA       PRO  24  -7.835   5.080  -8.651
  159   1HB   PRO  24          1HB       PRO  24 -10.504   4.525  -8.463
  160   2HB   PRO  24          2HB       PRO  24  -9.565   4.240  -9.916
  161   1HG   PRO  24          1HG       PRO  24 -10.561   2.282  -7.938
  162   2HG   PRO  24          2HG       PRO  24 -10.008   2.002  -9.577
  163   1HD   PRO  24          1HD       PRO  24  -8.558   1.465  -7.161
  164   2HD   PRO  24          2HD       PRO  24  -7.963   1.295  -8.800
  165    H    HIS  25           H        HIS  25 -10.007   3.631  -6.275
  166    HA   HIS  25           HA       HIS  25  -9.788   6.089  -4.770
  167   1HB   HIS  25          1HB       HIS  25 -11.644   5.188  -3.459
  168   2HB   HIS  25          2HB       HIS  25 -12.001   5.193  -5.174
  169    HD1  HIS  25           HD1      HIS  25 -13.830   3.356  -4.055
  170    HD2  HIS  25           HD2      HIS  25  -9.847   2.153  -4.586
  171    HE1  HIS  25           HE1      HIS  25 -13.843   0.805  -4.018
  172    HE2  HIS  25           HE2      HIS  25 -11.377   0.123  -4.403
  173    H    VAL  26           H        VAL  26  -7.568   5.904  -4.067
  174    HA   VAL  26           HA       VAL  26  -7.026   3.648  -2.297
  175    HB   VAL  26           HB       VAL  26  -4.707   4.496  -2.389
  176   1HG1  VAL  26          1HG1      VAL  26  -6.087   3.928  -5.030
  177   2HG1  VAL  26          2HG1      VAL  26  -4.321   3.940  -4.812
  178   3HG1  VAL  26          3HG1      VAL  26  -5.319   2.760  -3.928
  179   1HG2  VAL  26          1HG2      VAL  26  -5.907   6.865  -3.296
  180   2HG2  VAL  26          2HG2      VAL  26  -4.166   6.516  -3.174
  181   3HG2  VAL  26          3HG2      VAL  26  -5.028   6.219  -4.703
  182    H    THR  27           H        THR  27  -6.658   3.889  -0.087
  183    HA   THR  27           HA       THR  27  -6.579   6.563   1.025
  184    HB   THR  27           HB       THR  27  -8.627   6.367   2.259
  185    HG1  THR  27           HG1      THR  27  -8.267   3.600   1.390
  186   1HG2  THR  27          1HG2      THR  27  -9.200   4.924  -0.383
  187   2HG2  THR  27          2HG2      THR  27 -10.390   5.779   0.628
  188   3HG2  THR  27          3HG2      THR  27  -9.109   6.693  -0.205
  189    HA   PRO  28           HA       PRO  28  -4.287   4.605   4.080
  190   1HB   PRO  28          1HB       PRO  28  -4.929   5.910   6.394
  191   2HB   PRO  28          2HB       PRO  28  -3.842   6.573   5.190
  192   1HG   PRO  28          1HG       PRO  28  -6.643   7.319   5.771
  193   2HG   PRO  28          2HG       PRO  28  -5.425   8.224   4.894
  194   1HD   PRO  28          1HD       PRO  28  -7.616   6.756   3.766
  195   2HD   PRO  28          2HD       PRO  28  -6.333   7.564   2.888
  196    H    LYS  29           H        LYS  29  -6.700   3.232   3.384
  197    HA   LYS  29           HA       LYS  29  -6.644   1.320   5.410
  198   1HB   LYS  29          1HB       LYS  29  -7.936   3.334   6.489
  199   2HB   LYS  29          2HB       LYS  29  -9.271   2.779   5.500
  200   1HG   LYS  29          1HG       LYS  29  -7.831   0.625   6.985
  201   2HG   LYS  29          2HG       LYS  29  -8.672   1.782   7.997
  202   1HD   LYS  29          1HD       LYS  29 -10.552   1.283   6.002
  203   2HD   LYS  29          2HD       LYS  29  -9.776  -0.279   6.170
  204   1HE   LYS  29          1HE       LYS  29 -10.082   0.234   8.794
  205   2HE   LYS  29          2HE       LYS  29 -11.356   1.286   8.211
  206   1HZ   LYS  29          1HZ       LYS  29 -11.257  -1.387   7.114
  207   2HZ   LYS  29          2HZ       LYS  29 -11.749  -1.241   8.665
  208   3HZ   LYS  29          3HZ       LYS  29 -12.551  -0.459   7.477
  209    H    GLU  30           H        GLU  30  -8.719   2.955   2.937
  210    HA   GLU  30           HA       GLU  30  -9.930   0.551   2.153
  211   1HB   GLU  30          1HB       GLU  30 -10.585   3.112   1.781
  212   2HB   GLU  30          2HB       GLU  30  -9.692   2.911   0.287
  213   1HG   GLU  30          1HG       GLU  30 -11.558   1.986  -0.613
  214   2HG   GLU  30          2HG       GLU  30 -11.297   0.597   0.423
  215    H    CYS  31           H        CYS  31  -6.946   2.263   1.259
  216    HA   CYS  31           HA       CYS  31  -6.559   0.728  -1.118
  217   1HB   CYS  31          1HB       CYS  31  -5.573   2.790  -1.299
  218   2HB   CYS  31          2HB       CYS  31  -5.038   2.819   0.369
  219    H    ASN  32           H        ASN  32  -5.815   0.547   2.347
  220    HA   ASN  32           HA       ASN  32  -3.926  -1.580   1.887
  221   1HB   ASN  32          1HB       ASN  32  -4.918  -0.653   4.612
  222   2HB   ASN  32          2HB       ASN  32  -3.366  -1.363   4.213
  223   2HD2  ASN  32          2HD2      ASN  32  -5.404   1.483   3.913
  224   1HD2  ASN  32          1HD2      ASN  32  -4.152   2.647   3.634
  225    H    ASN  33           H        ASN  33  -7.231  -1.258   1.906
  226    HA   ASN  33           HA       ASN  33  -7.694  -3.639   3.498
  227   1HB   ASN  33          1HB       ASN  33  -9.178  -1.725   3.989
  228   2HB   ASN  33          2HB       ASN  33  -9.599  -1.565   2.295
  229   2HD2  ASN  33          2HD2      ASN  33 -11.475  -2.350   1.758
  230   1HD2  ASN  33          1HD2      ASN  33 -12.307  -3.687   2.478
  231    H    ARG  34           H        ARG  34  -8.090  -2.131   0.242
  232    HA   ARG  34           HA       ARG  34  -9.545  -4.117  -0.944
  233   1HB   ARG  34          1HB       ARG  34  -8.530  -1.723  -1.760
  234   2HB   ARG  34          2HB       ARG  34  -7.390  -2.781  -2.567
  235   1HG   ARG  34          1HG       ARG  34 -10.416  -3.105  -2.798
  236   2HG   ARG  34          2HG       ARG  34  -9.464  -2.166  -3.931
  237   1HD   ARG  34          1HD       ARG  34  -7.999  -4.427  -4.032
  238   2HD   ARG  34          2HD       ARG  34  -9.503  -5.153  -3.501
  239    HE   ARG  34           HE       ARG  34  -9.893  -3.309  -5.731
  240   1HH1  ARG  34          1HH1      ARG  34  -8.989  -6.601  -4.877
  241   2HH1  ARG  34          2HH1      ARG  34  -9.442  -7.260  -6.413
  242   1HH2  ARG  34          1HH2      ARG  34 -10.491  -4.178  -7.758
  243   2HH2  ARG  34          2HH2      ARG  34 -10.302  -5.873  -8.063
  244    H    GLY  35           H        GLY  35  -6.124  -3.958  -0.048
  245   1HA   GLY  35          1HA       GLY  35  -5.659  -6.540  -1.419
  246   2HA   GLY  35          2HA       GLY  35  -5.148  -6.218   0.226
  247    H    CYS  36           H        CYS  36  -3.648  -4.269   0.561
  248    HA   CYS  36           HA       CYS  36  -1.357  -4.568  -0.837
  249   1HB   CYS  36          1HB       CYS  36  -3.187  -3.233  -2.506
  250   2HB   CYS  36          2HB       CYS  36  -2.083  -1.997  -1.938
  251    H    CYS  37           H        CYS  37  -0.512  -1.732  -0.894
  252    HA   CYS  37           HA       CYS  37  -0.958  -1.060   1.924
  253   1HB   CYS  37          1HB       CYS  37   1.563  -1.348   0.379
  254   2HB   CYS  37          2HB       CYS  37   1.469   0.016   1.476
  255    H    PHE  38           H        PHE  38  -0.854   1.302   2.369
  256    HA   PHE  38           HA       PHE  38  -1.385   2.868  -0.059
  257   1HB   PHE  38          1HB       PHE  38  -3.405   2.507   1.350
  258   2HB   PHE  38          2HB       PHE  38  -2.516   2.932   2.799
  259    HD1  PHE  38           HD1      PHE  38  -3.972   4.279  -0.310
  260    HD2  PHE  38           HD2      PHE  38  -2.238   5.207   3.450
  261    HE1  PHE  38           HE1      PHE  38  -4.700   6.668  -0.564
  262    HE2  PHE  38           HE2      PHE  38  -2.967   7.595   3.197
  263    HZ   PHE  38           HZ       PHE  38  -4.189   8.297   1.193
  264    H    ASP  39           H        ASP  39  -1.206   5.382   0.586
  265    HA   ASP  39           HA       ASP  39   0.508   6.132   2.588
  266   1HB   ASP  39          1HB       ASP  39   2.247   4.849   1.399
  267   2HB   ASP  39          2HB       ASP  39   1.867   5.664  -0.105
  268    H    SER  40           H        SER  40   0.686   8.472   2.558
  269    HA   SER  40           HA       SER  40  -0.174   9.759   0.108
  270   1HB   SER  40          1HB       SER  40  -1.759  11.203   1.332
  271   2HB   SER  40          2HB       SER  40  -2.213   9.516   1.479
  272    HG   SER  40           HG       SER  40  -0.822  11.114   3.455
  273    H    ARG  41           H        ARG  41   2.350   9.343   1.873
  274    HA   ARG  41           HA       ARG  41   2.866  11.812   3.070
  275   1HB   ARG  41          1HB       ARG  41   4.059   9.345   3.132
  276   2HB   ARG  41          2HB       ARG  41   5.166  10.170   2.052
  277   1HG   ARG  41          1HG       ARG  41   4.748  12.053   4.091
  278   2HG   ARG  41          2HG       ARG  41   4.764  10.529   4.957
  279   1HD   ARG  41          1HD       ARG  41   6.899  10.423   3.029
  280   2HD   ARG  41          2HD       ARG  41   7.002  11.982   3.824
  281    HE   ARG  41           HE       ARG  41   6.638  10.325   5.965
  282   1HH1  ARG  41          1HH1      ARG  41   8.815  10.120   3.207
  283   2HH1  ARG  41          2HH1      ARG  41  10.039   9.256   4.076
  284   1HH2  ARG  41          1HH2      ARG  41   8.254   9.186   7.111
  285   2HH2  ARG  41          2HH2      ARG  41   9.718   8.722   6.311
  286    H    ILE  42           H        ILE  42   3.267  10.473  -0.208
  287    HA   ILE  42           HA       ILE  42   3.856  13.115  -1.190
  288    HB   ILE  42           HB       ILE  42   5.789  11.732  -2.537
  289   1HG1  ILE  42          1HG1      ILE  42   7.210  10.671  -0.803
  290   2HG1  ILE  42          2HG1      ILE  42   5.912  10.845   0.361
  291   1HG2  ILE  42          1HG2      ILE  42   5.620  14.057  -1.235
  292   2HG2  ILE  42          2HG2      ILE  42   6.623  13.166  -0.066
  293   3HG2  ILE  42          3HG2      ILE  42   7.172  13.351  -1.749
  294   1HD1  ILE  42          1HD1      ILE  42   5.214   9.525  -2.245
  295   2HD1  ILE  42          2HD1      ILE  42   6.231   8.605  -1.109
  296   3HD1  ILE  42          3HD1      ILE  42   4.624   9.177  -0.602
  297    HA   PRO  43           HA       PRO  43   1.270  11.282  -4.169
  298   1HB   PRO  43          1HB       PRO  43   0.875  13.494  -5.725
  299   2HB   PRO  43          2HB       PRO  43  -0.058  13.160  -4.280
  300   1HG   PRO  43          1HG       PRO  43   2.108  15.132  -4.672
  301   2HG   PRO  43          2HG       PRO  43   0.897  15.069  -3.408
  302   1HD   PRO  43          1HD       PRO  43   3.653  14.309  -3.183
  303   2HD   PRO  43          2HD       PRO  43   2.415  14.138  -1.954
  304    H    GLY  44           H        GLY  44   4.127  13.086  -5.015
  305   1HA   GLY  44          1HA       GLY  44   5.748  12.553  -6.498
  306   2HA   GLY  44          2HA       GLY  44   4.429  12.583  -7.652
  307    H    VAL  45           H        VAL  45   4.565  10.219  -4.976
  308    HA   VAL  45           HA       VAL  45   5.373   8.164  -6.905
  309    HB   VAL  45           HB       VAL  45   6.330   7.011  -5.188
  310   1HG1  VAL  45          1HG1      VAL  45   6.871   9.752  -5.245
  311   2HG1  VAL  45          2HG1      VAL  45   6.722   9.362  -3.514
  312   3HG1  VAL  45          3HG1      VAL  45   7.885   8.476  -4.529
  313   1HG2  VAL  45          1HG2      VAL  45   4.211   8.254  -3.452
  314   2HG2  VAL  45          2HG2      VAL  45   4.617   6.539  -3.699
  315   3HG2  VAL  45          3HG2      VAL  45   5.678   7.571  -2.712
  316    HA   PRO  46           HA       PRO  46   1.528   6.206  -6.572
  317   1HB   PRO  46          1HB       PRO  46   2.057   3.546  -6.242
  318   2HB   PRO  46          2HB       PRO  46   2.184   4.363  -7.786
  319   1HG   PRO  46          1HG       PRO  46   4.346   3.471  -5.978
  320   2HG   PRO  46          2HG       PRO  46   4.439   3.891  -7.677
  321   1HD   PRO  46          1HD       PRO  46   5.281   5.506  -5.462
  322   2HD   PRO  46          2HD       PRO  46   5.266   5.970  -7.151
  323    H    TRP  47           H        TRP  47   0.594   7.250  -4.813
  324    HA   TRP  47           HA       TRP  47   1.027   6.909  -2.232
  325   1HB   TRP  47          1HB       TRP  47  -1.472   7.239  -3.809
  326   2HB   TRP  47          2HB       TRP  47  -1.644   6.841  -2.111
  327    HD1  TRP  47           HD1      TRP  47   1.260   9.125  -3.189
  328    HE1  TRP  47           HE1      TRP  47   0.941  11.581  -2.277
  329    HE3  TRP  47           HE3      TRP  47  -3.463   8.423  -1.443
  330    HZ2  TRP  47           HZ2      TRP  47  -1.204  12.923  -0.957
  331    HZ3  TRP  47           HZ3      TRP  47  -4.599  10.357  -0.356
  332    HH2  TRP  47           HH2      TRP  47  -3.546  12.548  -0.100
  333    H    CYS  48           H        CYS  48  -1.066   4.669  -4.198
  334    HA   CYS  48           HA       CYS  48  -0.915   2.741  -2.044
  335   1HB   CYS  48          1HB       CYS  48  -3.026   3.375  -3.411
  336   2HB   CYS  48          2HB       CYS  48  -2.356   2.336  -4.652
  337    H    PHE  49           H        PHE  49   0.929   1.491  -2.025
  338    HA   PHE  49           HA       PHE  49   1.822   0.453  -4.617
  339   1HB   PHE  49          1HB       PHE  49   4.166   0.631  -3.465
  340   2HB   PHE  49          2HB       PHE  49   3.444   2.141  -3.985
  341    HD1  PHE  49           HD1      PHE  49   3.569  -0.065  -0.975
  342    HD2  PHE  49           HD2      PHE  49   3.378   3.895  -2.486
  343    HE1  PHE  49           HE1      PHE  49   3.770   0.835   1.360
  344    HE2  PHE  49           HE2      PHE  49   3.579   4.796  -0.152
  345    HZ   PHE  49           HZ       PHE  49   3.773   3.255   1.743
  346    H    LYS  50           H        LYS  50   3.232  -1.557  -4.348
  347    HA   LYS  50           HA       LYS  50   1.849  -3.435  -2.816
  348   1HB   LYS  50          1HB       LYS  50   4.502  -3.496  -4.266
  349   2HB   LYS  50          2HB       LYS  50   3.861  -4.895  -3.429
  350   1HG   LYS  50          1HG       LYS  50   1.647  -4.091  -4.879
  351   2HG   LYS  50          2HG       LYS  50   2.943  -3.617  -5.959
  352   1HD   LYS  50          1HD       LYS  50   3.681  -6.194  -5.028
  353   2HD   LYS  50          2HD       LYS  50   1.957  -6.301  -5.322
  354   1HE   LYS  50          1HE       LYS  50   2.924  -4.864  -7.546
  355   2HE   LYS  50          2HE       LYS  50   4.167  -6.065  -7.256
  356   1HZ   LYS  50          1HZ       LYS  50   1.681  -7.280  -6.988
  357   2HZ   LYS  50          2HZ       LYS  50   1.682  -6.449  -8.394
  358   3HZ   LYS  50          3HZ       LYS  50   2.833  -7.571  -8.108
  359    HA   PRO  51           HA       PRO  51   3.818  -3.294   1.020
  360   1HB   PRO  51          1HB       PRO  51   3.872  -5.907   1.821
  361   2HB   PRO  51          2HB       PRO  51   2.436  -4.906   1.910
  362   1HG   PRO  51          1HG       PRO  51   3.079  -7.057  -0.013
  363   2HG   PRO  51          2HG       PRO  51   1.520  -6.351   0.363
  364   1HD   PRO  51          1HD       PRO  51   3.124  -5.835  -1.959
  365   2HD   PRO  51          2HD       PRO  51   1.622  -5.044  -1.526
  366    H    LEU  52           H        LEU  52   5.811  -2.686   1.553
  367    HA   LEU  52           HA       LEU  52   7.998  -3.177   0.142
  368   1HB   LEU  52          1HB       LEU  52   8.254  -1.671   1.846
  369   2HB   LEU  52          2HB       LEU  52   7.537  -2.723   3.050
  370    HG   LEU  52           HG       LEU  52  10.251  -3.258   1.826
  371   1HD1  LEU  52          1HD1      LEU  52   9.775  -1.005   3.225
  372   2HD1  LEU  52          2HD1      LEU  52  10.102  -2.132   4.564
  373   3HD1  LEU  52          3HD1      LEU  52  11.314  -1.898   3.281
  374   1HD2  LEU  52          1HD2      LEU  52   8.539  -4.705   3.623
  375   2HD2  LEU  52          2HD2      LEU  52  10.118  -5.167   2.944
  376   3HD2  LEU  52          3HD2      LEU  52  10.038  -4.243   4.463
  377    H    GLN  53           H        GLN  53   9.408  -4.814  -0.339
  378    HA   GLN  53           HA       GLN  53   8.581  -7.415   0.202
  379   1HB   GLN  53          1HB       GLN  53  10.835  -6.083  -1.204
  380   2HB   GLN  53          2HB       GLN  53  11.213  -7.684  -0.600
  381   1HG   GLN  53          1HG       GLN  53  10.253  -7.658  -2.949
  382   2HG   GLN  53          2HG       GLN  53   9.385  -8.689  -1.829
  383   2HE2  GLN  53          2HE2      GLN  53   9.398  -5.156  -2.212
  384   1HE2  GLN  53          1HE2      GLN  53   7.710  -4.961  -2.550
  385    H    GLU  54           H        GLU  54   8.384  -7.272   2.611
  386    HA   GLU  54           HA       GLU  54  10.365  -6.724   4.333
  387   1HB   GLU  54          1HB       GLU  54   9.109  -7.880   5.952
  388   2HB   GLU  54          2HB       GLU  54   7.909  -7.500   4.733
  389   1HG   GLU  54          1HG       GLU  54   8.362  -9.809   3.708
  390   2HG   GLU  54          2HG       GLU  54   9.346 -10.165   5.114
  391    H    ALA  55           H        ALA  55  12.426  -7.456   4.598
  392    HA   ALA  55           HA       ALA  55  12.927 -10.298   4.302
  393   1HB   ALA  55          1HB       ALA  55  14.758  -9.966   2.726
  394   2HB   ALA  55          2HB       ALA  55  13.261  -9.298   2.032
  395   3HB   ALA  55          3HB       ALA  55  14.483  -8.207   2.727
  396    H    GLU  56           H        GLU  56  13.677 -10.691   6.337
  397    HA   GLU  56           HA       GLU  56  14.785  -8.819   7.980
  398   1HB   GLU  56          1HB       GLU  56  14.017 -11.416   8.251
  399   2HB   GLU  56          2HB       GLU  56  15.755 -11.638   8.270
  400   1HG   GLU  56          1HG       GLU  56  15.981 -10.673  10.333
  401   2HG   GLU  56          2HG       GLU  56  14.887  -9.360   9.944
  402    H    CYS  57           H        CYS  57  16.902  -8.130   8.483
  403    HA   CYS  57           HA       CYS  57  18.724  -8.166   6.371
  404   1HB   CYS  57          1HB       CYS  57  18.431  -6.854   8.872
  405   2HB   CYS  57          2HB       CYS  57  20.033  -7.564   8.850
  406    H    THR  58           H        THR  58  20.025  -9.851   5.740
  407    HA   THR  58           HA       THR  58  20.385 -12.090   7.528
  408    HB   THR  58           HB       THR  58  21.154 -13.194   5.532
  409    HG1  THR  58           HG1      THR  58  21.408 -10.448   4.521
  410   1HG2  THR  58          1HG2      THR  58  18.741 -11.797   5.417
  411   2HG2  THR  58          2HG2      THR  58  19.590 -11.213   3.966
  412   3HG2  THR  58          3HG2      THR  58  19.301 -12.955   4.187
  413    H    PHE  59           H        PHE  59  22.674 -13.118   7.582
  414    HA   PHE  59           HA       PHE  59  24.703 -13.004   8.433
  415   1HB   PHE  59          1HB       PHE  59  24.997 -11.891   6.122
  416   2HB   PHE  59          2HB       PHE  59  24.802 -10.335   6.904
  417    HD1  PHE  59           HD1      PHE  59  26.460  -9.916   8.934
  418    HD2  PHE  59           HD2      PHE  59  27.139 -12.688   5.793
  419    HE1  PHE  59           HE1      PHE  59  28.925  -9.840   9.400
  420    HE2  PHE  59           HE2      PHE  59  29.604 -12.612   6.260
  421    HZ   PHE  59           HZ       PHE  59  30.467 -11.189   8.058

  No H/Q in entry =         421
  Start of MODEL   39
    1    H    GLU   1           H        GLU   1  10.350  -8.731  18.869
    2    HA   GLU   1           HA       GLU   1  11.384 -10.698  20.313
    3   1HB   GLU   1          1HB       GLU   1   8.468 -11.027  20.237
    4   2HB   GLU   1          2HB       GLU   1   9.287 -12.423  19.566
    5   1HG   GLU   1          1HG       GLU   1  10.588 -12.751  21.587
    6   2HG   GLU   1          2HG       GLU   1  10.114 -11.190  22.228
    7    H    GLU   2           H        GLU   2   8.953 -10.898  17.606
    8    HA   GLU   2           HA       GLU   2  10.608 -10.639  15.528
    9   1HB   GLU   2          1HB       GLU   2  11.189 -13.146  16.891
   10   2HB   GLU   2          2HB       GLU   2  10.607 -13.474  15.272
   11   1HG   GLU   2          1HG       GLU   2  12.304 -11.989  14.294
   12   2HG   GLU   2          2HG       GLU   2  12.814 -11.456  15.884
   13    H    TYR   3           H        TYR   3   8.206  -9.822  15.522
   14    HA   TYR   3           HA       TYR   3   6.834 -11.298  13.561
   15   1HB   TYR   3          1HB       TYR   3   6.225 -12.742  15.475
   16   2HB   TYR   3          2HB       TYR   3   5.942 -11.351  16.502
   17    HD1  TYR   3           HD1      TYR   3   4.674 -12.800  13.276
   18    HD2  TYR   3           HD2      TYR   3   3.743 -10.722  16.898
   19    HE1  TYR   3           HE1      TYR   3   2.203 -12.853  12.680
   20    HE2  TYR   3           HE2      TYR   3   1.275 -10.782  16.290
   21    HH   TYR   3           HH       TYR   3  -0.089 -12.687  14.493
   22    H    VAL   4           H        VAL   4   6.475  -9.448  12.386
   23    HA   VAL   4           HA       VAL   4   4.860  -7.404  13.735
   24    HB   VAL   4           HB       VAL   4   6.111  -5.778  12.199
   25   1HG1  VAL   4          1HG1      VAL   4   6.319  -6.151  14.766
   26   2HG1  VAL   4          2HG1      VAL   4   7.881  -6.904  14.363
   27   3HG1  VAL   4          3HG1      VAL   4   7.571  -5.207  13.924
   28   1HG2  VAL   4          1HG2      VAL   4   7.224  -7.664  10.904
   29   2HG2  VAL   4          2HG2      VAL   4   8.290  -6.343  11.440
   30   3HG2  VAL   4          3HG2      VAL   4   8.278  -7.891  12.320
   31    H    GLY   5           H        GLY   5   4.281  -5.786  11.577
   32   1HA   GLY   5          1HA       GLY   5   2.645  -7.599   9.962
   33   2HA   GLY   5          2HA       GLY   5   3.772  -6.553   9.121
   34    H    LEU   6           H        LEU   6   0.920  -6.634  11.294
   35    HA   LEU   6           HA       LEU   6  -0.550  -4.752  10.130
   36   1HB   LEU   6          1HB       LEU   6  -1.755  -4.532  12.130
   37   2HB   LEU   6          2HB       LEU   6  -1.133  -6.170  12.093
   38    HG   LEU   6           HG       LEU   6  -0.915  -5.403  14.321
   39   1HD1  LEU   6          1HD1      LEU   6   0.999  -6.682  13.502
   40   2HD1  LEU   6          2HD1      LEU   6   1.806  -5.176  13.005
   41   3HD1  LEU   6          3HD1      LEU   6   1.496  -5.492  14.729
   42   1HD2  LEU   6          1HD2      LEU   6  -0.564  -2.850  13.134
   43   2HD2  LEU   6          2HD2      LEU   6  -0.766  -3.258  14.855
   44   3HD2  LEU   6          3HD2      LEU   6   0.865  -3.170  14.147
   45    H    SER   7           H        SER   7  -0.525  -2.588   9.731
   46    HA   SER   7           HA       SER   7   0.155  -0.530   9.673
   47   1HB   SER   7          1HB       SER   7   0.665   0.635  11.704
   48   2HB   SER   7          2HB       SER   7  -0.447  -0.645  12.146
   49    HG   SER   7           HG       SER   7   2.407  -0.541  12.557
   50    H    ALA   8           H        ALA   8   1.970   0.609   8.870
   51    HA   ALA   8           HA       ALA   8   3.963   0.627   7.846
   52   1HB   ALA   8          1HB       ALA   8   4.150   1.426  10.383
   53   2HB   ALA   8          2HB       ALA   8   5.230   0.017  10.500
   54   3HB   ALA   8          3HB       ALA   8   5.588   1.318   9.340
   55    H    ASN   9           H        ASN   9   6.453  -0.680   8.582
   56    HA   ASN   9           HA       ASN   9   7.561  -2.525   8.298
   57   1HB   ASN   9          1HB       ASN   9   4.950  -4.062   8.757
   58   2HB   ASN   9          2HB       ASN   9   6.566  -4.735   8.853
   59   2HD2  ASN   9          2HD2      ASN   9   7.889  -4.295  10.582
   60   1HD2  ASN   9          1HD2      ASN   9   7.335  -3.579  12.059
   61    H    GLN  10           H        GLN  10   4.198  -3.201   7.036
   62    HA   GLN  10           HA       GLN  10   5.275  -4.392   4.691
   63   1HB   GLN  10          1HB       GLN  10   2.854  -4.607   4.040
   64   2HB   GLN  10          2HB       GLN  10   3.220  -5.294   5.610
   65   1HG   GLN  10          1HG       GLN  10   2.496  -2.436   5.781
   66   2HG   GLN  10          2HG       GLN  10   1.223  -3.400   5.060
   67   2HE2  GLN  10          2HE2      GLN  10   1.229  -2.066   7.600
   68   1HE2  GLN  10          1HE2      GLN  10   0.991  -3.254   8.839
   69    H    CYS  11           H        CYS  11   3.942  -1.234   5.672
   70    HA   CYS  11           HA       CYS  11   4.368  -0.320   2.919
   71   1HB   CYS  11          1HB       CYS  11   2.691   1.335   4.699
   72   2HB   CYS  11          2HB       CYS  11   2.534   0.992   2.988
   73    H    ALA  12           H        ALA  12   6.551  -0.630   4.680
   74    HA   ALA  12           HA       ALA  12   6.985   2.046   5.784
   75   1HB   ALA  12          1HB       ALA  12   9.003  -0.092   6.187
   76   2HB   ALA  12          2HB       ALA  12   7.397  -0.429   6.876
   77   3HB   ALA  12          3HB       ALA  12   8.282   1.038   7.358
   78    H    VAL  13           H        VAL  13   6.883   1.762   2.932
   79    HA   VAL  13           HA       VAL  13   9.669   1.661   2.108
   80    HB   VAL  13           HB       VAL  13   7.642   2.384   0.126
   81   1HG1  VAL  13          1HG1      VAL  13  10.072   0.791   0.378
   82   2HG1  VAL  13          2HG1      VAL  13   8.809  -0.059  -0.543
   83   3HG1  VAL  13          3HG1      VAL  13   9.351   1.556  -1.058
   84   1HG2  VAL  13          1HG2      VAL  13   7.236  -0.018   1.886
   85   2HG2  VAL  13          2HG2      VAL  13   6.038   1.099   1.188
   86   3HG2  VAL  13          3HG2      VAL  13   6.830  -0.116   0.156
   87    HA   PRO  14           HA       PRO  14  10.080   5.962   2.074
   88   1HB   PRO  14          1HB       PRO  14  12.040   6.314   0.203
   89   2HB   PRO  14          2HB       PRO  14  12.367   5.818   1.851
   90   1HG   PRO  14          1HG       PRO  14  12.404   4.189  -0.615
   91   2HG   PRO  14          2HG       PRO  14  13.124   3.838   0.943
   92   1HD   PRO  14          1HD       PRO  14  10.713   2.711  -0.127
   93   2HD   PRO  14          2HD       PRO  14  11.371   2.449   1.476
   94    H    ALA  15           H        ALA  15  10.224   4.839  -1.280
   95    HA   ALA  15           HA       ALA  15   7.884   5.698  -2.189
   96   1HB   ALA  15          1HB       ALA  15   9.543   8.025  -1.429
   97   2HB   ALA  15          2HB       ALA  15   7.787   7.909  -1.690
   98   3HB   ALA  15          3HB       ALA  15   8.881   8.104  -3.079
   99    H    LYS  16           H        LYS  16  11.362   5.434  -2.512
  100    HA   LYS  16           HA       LYS  16  11.169   5.368  -5.416
  101   1HB   LYS  16          1HB       LYS  16  13.588   5.363  -5.387
  102   2HB   LYS  16          2HB       LYS  16  12.987   6.657  -4.370
  103   1HG   LYS  16          1HG       LYS  16  14.549   5.754  -2.913
  104   2HG   LYS  16          2HG       LYS  16  13.161   4.788  -2.453
  105   1HD   LYS  16          1HD       LYS  16  14.084   2.864  -3.265
  106   2HD   LYS  16          2HD       LYS  16  14.588   3.630  -4.758
  107   1HE   LYS  16          1HE       LYS  16  16.680   4.236  -3.916
  108   2HE   LYS  16          2HE       LYS  16  16.100   4.385  -2.269
  109   1HZ   LYS  16          1HZ       LYS  16  16.250   1.789  -3.617
  110   2HZ   LYS  16          2HZ       LYS  16  17.515   2.410  -2.790
  111   3HZ   LYS  16          3HZ       LYS  16  16.114   2.084  -2.016
  112    H    ASP  17           H        ASP  17  10.333   3.322  -3.019
  113    HA   ASP  17           HA       ASP  17  11.405   1.034  -4.477
  114   1HB   ASP  17          1HB       ASP  17  11.315   1.666  -1.615
  115   2HB   ASP  17          2HB       ASP  17  10.482   0.159  -1.937
  116    H    ARG  18           H        ARG  18   8.790   2.911  -4.373
  117    HA   ARG  18           HA       ARG  18   6.771   1.098  -3.603
  118   1HB   ARG  18          1HB       ARG  18   6.389   3.536  -5.394
  119   2HB   ARG  18          2HB       ARG  18   5.229   2.832  -4.286
  120   1HG   ARG  18          1HG       ARG  18   7.843   4.186  -3.466
  121   2HG   ARG  18          2HG       ARG  18   6.255   4.921  -3.372
  122   1HD   ARG  18          1HD       ARG  18   5.560   2.948  -1.862
  123   2HD   ARG  18          2HD       ARG  18   7.252   2.496  -1.810
  124    HE   ARG  18           HE       ARG  18   7.584   4.204  -0.264
  125   1HH1  ARG  18          1HH1      ARG  18   4.790   5.026  -2.239
  126   2HH1  ARG  18          2HH1      ARG  18   4.440   6.481  -1.366
  127   1HH2  ARG  18          1HH2      ARG  18   7.123   6.123   0.888
  128   2HH2  ARG  18          2HH2      ARG  18   5.777   7.109   0.424
  129    H    VAL  19           H        VAL  19   5.885  -0.537  -4.839
  130    HA   VAL  19           HA       VAL  19   6.720  -0.715  -7.609
  131    HB   VAL  19           HB       VAL  19   5.064  -2.660  -6.003
  132   1HG1  VAL  19          1HG1      VAL  19   5.189  -2.947  -8.485
  133   2HG1  VAL  19          2HG1      VAL  19   6.953  -3.126  -8.333
  134   3HG1  VAL  19          3HG1      VAL  19   5.869  -4.311  -7.566
  135   1HG2  VAL  19          1HG2      VAL  19   8.048  -2.206  -6.009
  136   2HG2  VAL  19          2HG2      VAL  19   6.947  -2.435  -4.630
  137   3HG2  VAL  19          3HG2      VAL  19   7.358  -3.813  -5.678
  138    H    ASP  20           H        ASP  20   4.197   0.690  -5.830
  139    HA   ASP  20           HA       ASP  20   2.261   1.509  -6.355
  140   1HB   ASP  20          1HB       ASP  20   3.186   2.610  -8.253
  141   2HB   ASP  20          2HB       ASP  20   3.415   1.110  -9.129
  142    H    CYS  21           H        CYS  21   0.426   0.294  -5.875
  143    HA   CYS  21           HA       CYS  21   0.176  -2.338  -6.989
  144   1HB   CYS  21          1HB       CYS  21  -0.459  -1.304  -4.577
  145   2HB   CYS  21          2HB       CYS  21  -2.019  -1.177  -5.367
  146    H    GLY  22           H        GLY  22  -0.989   0.949  -7.519
  147   1HA   GLY  22          1HA       GLY  22  -2.252   0.220  -9.970
  148   2HA   GLY  22          2HA       GLY  22  -2.185   1.808  -9.232
  149    H    TYR  23           H        TYR  23  -3.826   2.475  -7.713
  150    HA   TYR  23           HA       TYR  23  -6.267   0.880  -7.978
  151   1HB   TYR  23          1HB       TYR  23  -4.699   1.816  -5.550
  152   2HB   TYR  23          2HB       TYR  23  -6.444   1.915  -5.431
  153    HD1  TYR  23           HD1      TYR  23  -7.743  -0.307  -6.111
  154    HD2  TYR  23           HD2      TYR  23  -3.641  -0.154  -4.905
  155    HE1  TYR  23           HE1      TYR  23  -7.832  -2.766  -5.472
  156    HE2  TYR  23           HE2      TYR  23  -3.743  -2.614  -4.270
  157    HH   TYR  23           HH       TYR  23  -6.347  -4.608  -5.201
  158    HA   PRO  24           HA       PRO  24  -7.984   4.780  -8.742
  159   1HB   PRO  24          1HB       PRO  24 -10.638   4.250  -8.367
  160   2HB   PRO  24          2HB       PRO  24  -9.780   3.850  -9.841
  161   1HG   PRO  24          1HG       PRO  24 -10.665   2.053  -7.666
  162   2HG   PRO  24          2HG       PRO  24 -10.201   1.646  -9.307
  163   1HD   PRO  24          1HD       PRO  24  -8.621   1.293  -6.939
  164   2HD   PRO  24          2HD       PRO  24  -8.116   0.994  -8.590
  165    H    HIS  25           H        HIS  25 -10.127   3.601  -6.208
  166    HA   HIS  25           HA       HIS  25  -9.719   6.134  -4.874
  167   1HB   HIS  25          1HB       HIS  25 -11.642   5.581  -3.581
  168   2HB   HIS  25          2HB       HIS  25 -11.994   5.200  -5.255
  169    HD1  HIS  25           HD1      HIS  25 -13.642   3.862  -3.041
  170    HD2  HIS  25           HD2      HIS  25 -10.167   2.179  -4.682
  171    HE1  HIS  25           HE1      HIS  25 -13.792   1.351  -2.613
  172    HE2  HIS  25           HE2      HIS  25 -11.656   0.365  -3.691
  173    H    VAL  26           H        VAL  26  -7.519   5.879  -4.169
  174    HA   VAL  26           HA       VAL  26  -7.052   3.682  -2.308
  175    HB   VAL  26           HB       VAL  26  -4.704   4.465  -2.435
  176   1HG1  VAL  26          1HG1      VAL  26  -6.090   3.829  -5.060
  177   2HG1  VAL  26          2HG1      VAL  26  -4.330   3.756  -4.805
  178   3HG1  VAL  26          3HG1      VAL  26  -5.407   2.674  -3.891
  179   1HG2  VAL  26          1HG2      VAL  26  -5.759   6.844  -3.327
  180   2HG2  VAL  26          2HG2      VAL  26  -4.048   6.365  -3.444
  181   3HG2  VAL  26          3HG2      VAL  26  -5.139   6.119  -4.830
  182    H    THR  27           H        THR  27  -6.661   3.988  -0.110
  183    HA   THR  27           HA       THR  27  -6.457   6.683   0.917
  184    HB   THR  27           HB       THR  27  -8.541   6.728   2.036
  185    HG1  THR  27           HG1      THR  27  -8.162   3.873   1.674
  186   1HG2  THR  27          1HG2      THR  27  -9.101   4.978  -0.417
  187   2HG2  THR  27          2HG2      THR  27 -10.325   5.892   0.496
  188   3HG2  THR  27          3HG2      THR  27  -9.061   6.757  -0.412
  189    HA   PRO  28           HA       PRO  28  -4.379   4.698   4.111
  190   1HB   PRO  28          1HB       PRO  28  -5.112   5.990   6.405
  191   2HB   PRO  28          2HB       PRO  28  -3.964   6.651   5.258
  192   1HG   PRO  28          1HG       PRO  28  -6.780   7.425   5.716
  193   2HG   PRO  28          2HG       PRO  28  -5.513   8.323   4.905
  194   1HD   PRO  28          1HD       PRO  28  -7.666   6.891   3.664
  195   2HD   PRO  28          2HD       PRO  28  -6.334   7.692   2.853
  196    H    LYS  29           H        LYS  29  -6.711   3.312   3.283
  197    HA   LYS  29           HA       LYS  29  -6.788   1.396   5.287
  198   1HB   LYS  29          1HB       LYS  29  -8.103   3.413   6.338
  199   2HB   LYS  29          2HB       LYS  29  -9.404   2.876   5.295
  200   1HG   LYS  29          1HG       LYS  29  -7.940   0.853   7.013
  201   2HG   LYS  29          2HG       LYS  29  -9.165   1.874   7.739
  202   1HD   LYS  29          1HD       LYS  29 -10.531   1.064   5.517
  203   2HD   LYS  29          2HD       LYS  29  -9.471  -0.317   5.715
  204   1HE   LYS  29          1HE       LYS  29 -10.988  -1.076   7.238
  205   2HE   LYS  29          2HE       LYS  29 -10.326   0.126   8.328
  206   1HZ   LYS  29          1HZ       LYS  29 -12.529   0.660   6.459
  207   2HZ   LYS  29          2HZ       LYS  29 -12.735   0.274   8.033
  208   3HZ   LYS  29          3HZ       LYS  29 -11.976   1.662   7.625
  209    H    GLU  30           H        GLU  30  -8.944   3.058   2.881
  210    HA   GLU  30           HA       GLU  30 -10.094   0.705   1.985
  211   1HB   GLU  30          1HB       GLU  30 -11.075   2.920   1.566
  212   2HB   GLU  30          2HB       GLU  30  -9.702   3.384   0.581
  213   1HG   GLU  30          1HG       GLU  30 -10.471   2.246  -1.250
  214   2HG   GLU  30          2HG       GLU  30 -10.932   0.844  -0.306
  215    H    CYS  31           H        CYS  31  -7.053   2.369   1.156
  216    HA   CYS  31           HA       CYS  31  -6.619   0.820  -1.194
  217   1HB   CYS  31          1HB       CYS  31  -5.558   2.844  -1.333
  218   2HB   CYS  31          2HB       CYS  31  -5.097   2.860   0.358
  219    H    ASN  32           H        ASN  32  -5.751   0.729   2.288
  220    HA   ASN  32           HA       ASN  32  -3.968  -1.457   1.898
  221   1HB   ASN  32          1HB       ASN  32  -5.143  -0.608   4.575
  222   2HB   ASN  32          2HB       ASN  32  -3.562  -1.297   4.260
  223   2HD2  ASN  32          2HD2      ASN  32  -2.062   0.120   4.694
  224   1HD2  ASN  32          1HD2      ASN  32  -2.035   1.794   4.251
  225    H    ASN  33           H        ASN  33  -7.322  -1.067   1.894
  226    HA   ASN  33           HA       ASN  33  -7.822  -3.554   3.293
  227   1HB   ASN  33          1HB       ASN  33  -9.273  -1.559   3.792
  228   2HB   ASN  33          2HB       ASN  33  -9.759  -1.493   2.110
  229   2HD2  ASN  33          2HD2      ASN  33 -11.832  -1.630   3.471
  230   1HD2  ASN  33          1HD2      ASN  33 -12.530  -3.204   3.661
  231    H    ARG  34           H        ARG  34  -8.030  -1.877   0.117
  232    HA   ARG  34           HA       ARG  34  -9.518  -3.727  -1.237
  233   1HB   ARG  34          1HB       ARG  34  -8.342  -1.348  -1.877
  234   2HB   ARG  34          2HB       ARG  34  -7.229  -2.427  -2.695
  235   1HG   ARG  34          1HG       ARG  34  -8.997  -1.810  -4.262
  236   2HG   ARG  34          2HG       ARG  34  -9.171  -3.510  -3.872
  237   1HD   ARG  34          1HD       ARG  34 -10.976  -3.021  -2.273
  238   2HD   ARG  34          2HD       ARG  34 -10.726  -1.296  -2.451
  239    HE   ARG  34           HE       ARG  34 -11.968  -1.350  -4.430
  240   1HH1  ARG  34          1HH1      ARG  34 -10.879  -4.611  -3.679
  241   2HH1  ARG  34          2HH1      ARG  34 -11.789  -5.346  -4.956
  242   1HH2  ARG  34          1HH2      ARG  34 -13.169  -2.320  -6.115
  243   2HH2  ARG  34          2HH2      ARG  34 -13.101  -4.034  -6.351
  244    H    GLY  35           H        GLY  35  -6.177  -3.821  -0.113
  245   1HA   GLY  35          1HA       GLY  35  -5.757  -6.343  -1.605
  246   2HA   GLY  35          2HA       GLY  35  -5.305  -6.114   0.072
  247    H    CYS  36           H        CYS  36  -3.777  -4.167   0.520
  248    HA   CYS  36           HA       CYS  36  -1.411  -4.546  -0.716
  249   1HB   CYS  36          1HB       CYS  36  -3.074  -3.202  -2.535
  250   2HB   CYS  36          2HB       CYS  36  -2.001  -1.970  -1.900
  251    H    CYS  37           H        CYS  37  -0.495  -1.724  -0.762
  252    HA   CYS  37           HA       CYS  37  -1.074  -1.027   2.026
  253   1HB   CYS  37          1HB       CYS  37   1.509  -1.293   0.575
  254   2HB   CYS  37          2HB       CYS  37   1.362   0.046   1.696
  255    H    PHE  38           H        PHE  38  -0.978   1.339   2.469
  256    HA   PHE  38           HA       PHE  38  -1.444   2.891   0.019
  257   1HB   PHE  38          1HB       PHE  38  -3.489   2.567   1.393
  258   2HB   PHE  38          2HB       PHE  38  -2.619   2.976   2.858
  259    HD1  PHE  38           HD1      PHE  38  -4.031   4.344  -0.259
  260    HD2  PHE  38           HD2      PHE  38  -2.296   5.252   3.506
  261    HE1  PHE  38           HE1      PHE  38  -4.724   6.742  -0.518
  262    HE2  PHE  38           HE2      PHE  38  -2.989   7.650   3.247
  263    HZ   PHE  38           HZ       PHE  38  -4.194   8.367   1.238
  264    H    ASP  39           H        ASP  39  -1.243   5.405   0.623
  265    HA   ASP  39           HA       ASP  39   0.448   6.161   2.649
  266   1HB   ASP  39          1HB       ASP  39   2.194   4.863   1.497
  267   2HB   ASP  39          2HB       ASP  39   1.830   5.652  -0.025
  268    H    SER  40           H        SER  40   0.568   8.490   2.634
  269    HA   SER  40           HA       SER  40  -0.256   9.763   0.157
  270   1HB   SER  40          1HB       SER  40  -1.801  11.250   1.401
  271   2HB   SER  40          2HB       SER  40  -2.287   9.571   1.532
  272    HG   SER  40           HG       SER  40  -0.635  10.843   3.531
  273    H    ARG  41           H        ARG  41   2.282   9.341   1.903
  274    HA   ARG  41           HA       ARG  41   2.855  11.773   3.109
  275   1HB   ARG  41          1HB       ARG  41   4.053   9.346   3.105
  276   2HB   ARG  41          2HB       ARG  41   5.069  10.113   1.900
  277   1HG   ARG  41          1HG       ARG  41   5.965  11.649   3.414
  278   2HG   ARG  41          2HG       ARG  41   4.526  11.674   4.413
  279   1HD   ARG  41          1HD       ARG  41   5.358  10.058   5.782
  280   2HD   ARG  41          2HD       ARG  41   5.678   8.993   4.429
  281    HE   ARG  41           HE       ARG  41   7.609  11.196   4.706
  282   1HH1  ARG  41          1HH1      ARG  41   6.829   7.877   5.580
  283   2HH1  ARG  41          2HH1      ARG  41   8.469   7.453   5.943
  284   1HH2  ARG  41          1HH2      ARG  41   9.772  10.636   5.184
  285   2HH2  ARG  41          2HH2      ARG  41  10.154   9.033   5.716
  286    H    ILE  42           H        ILE  42   3.184  10.529  -0.228
  287    HA   ILE  42           HA       ILE  42   3.619  13.209  -1.168
  288    HB   ILE  42           HB       ILE  42   5.620  12.007  -2.563
  289   1HG1  ILE  42          1HG1      ILE  42   7.121  10.957  -0.881
  290   2HG1  ILE  42          2HG1      ILE  42   5.812  10.979   0.284
  291   1HG2  ILE  42          1HG2      ILE  42   5.681  13.730  -0.082
  292   2HG2  ILE  42          2HG2      ILE  42   7.142  13.325  -1.014
  293   3HG2  ILE  42          3HG2      ILE  42   5.815  14.226  -1.786
  294   1HD1  ILE  42          1HD1      ILE  42   5.456   9.682  -2.442
  295   2HD1  ILE  42          2HD1      ILE  42   6.168   8.796  -1.073
  296   3HD1  ILE  42          3HD1      ILE  42   4.505   9.421  -0.960
  297    HA   PRO  43           HA       PRO  43   1.158  11.327  -4.205
  298   1HB   PRO  43          1HB       PRO  43   0.822  13.489  -5.842
  299   2HB   PRO  43          2HB       PRO  43  -0.148  13.212  -4.410
  300   1HG   PRO  43          1HG       PRO  43   2.048  15.150  -4.815
  301   2HG   PRO  43          2HG       PRO  43   0.807  15.140  -3.578
  302   1HD   PRO  43          1HD       PRO  43   3.549  14.362  -3.263
  303   2HD   PRO  43          2HD       PRO  43   2.281  14.243  -2.059
  304    H    GLY  44           H        GLY  44   4.056  13.068  -5.038
  305   1HA   GLY  44          1HA       GLY  44   5.711  12.449  -6.451
  306   2HA   GLY  44          2HA       GLY  44   4.428  12.500  -7.644
  307    H    VAL  45           H        VAL  45   4.703  10.193  -4.884
  308    HA   VAL  45           HA       VAL  45   5.398   8.083  -6.778
  309    HB   VAL  45           HB       VAL  45   6.294   6.940  -5.017
  310   1HG1  VAL  45          1HG1      VAL  45   6.611   9.864  -4.745
  311   2HG1  VAL  45          2HG1      VAL  45   7.074   8.925  -3.306
  312   3HG1  VAL  45          3HG1      VAL  45   7.837   8.580  -4.877
  313   1HG2  VAL  45          1HG2      VAL  45   4.202   8.300  -3.333
  314   2HG2  VAL  45          2HG2      VAL  45   4.535   6.564  -3.546
  315   3HG2  VAL  45          3HG2      VAL  45   5.633   7.568  -2.568
  316    HA   PRO  46           HA       PRO  46   1.511   6.205  -6.492
  317   1HB   PRO  46          1HB       PRO  46   1.996   3.535  -6.164
  318   2HB   PRO  46          2HB       PRO  46   2.148   4.355  -7.706
  319   1HG   PRO  46          1HG       PRO  46   4.281   3.424  -5.882
  320   2HG   PRO  46          2HG       PRO  46   4.395   3.847  -7.579
  321   1HD   PRO  46          1HD       PRO  46   5.244   5.443  -5.353
  322   2HD   PRO  46          2HD       PRO  46   5.250   5.912  -7.041
  323    H    TRP  47           H        TRP  47   0.567   7.250  -4.743
  324    HA   TRP  47           HA       TRP  47   0.966   6.922  -2.161
  325   1HB   TRP  47          1HB       TRP  47  -1.526   7.213  -3.761
  326   2HB   TRP  47          2HB       TRP  47  -1.701   6.838  -2.058
  327    HD1  TRP  47           HD1      TRP  47   1.176   9.140  -3.185
  328    HE1  TRP  47           HE1      TRP  47   0.836  11.602  -2.301
  329    HE3  TRP  47           HE3      TRP  47  -3.521   8.403  -1.383
  330    HZ2  TRP  47           HZ2      TRP  47  -1.312  12.936  -0.976
  331    HZ3  TRP  47           HZ3      TRP  47  -4.669  10.337  -0.308
  332    HH2  TRP  47           HH2      TRP  47  -3.640  12.543  -0.090
  333    H    CYS  48           H        CYS  48  -1.030   4.632  -4.166
  334    HA   CYS  48           HA       CYS  48  -0.897   2.724  -1.985
  335   1HB   CYS  48          1HB       CYS  48  -3.005   3.338  -3.380
  336   2HB   CYS  48          2HB       CYS  48  -2.321   2.275  -4.593
  337    H    PHE  49           H        PHE  49   0.893   1.408  -1.954
  338    HA   PHE  49           HA       PHE  49   1.829   0.400  -4.539
  339   1HB   PHE  49          1HB       PHE  49   4.167   0.590  -3.372
  340   2HB   PHE  49          2HB       PHE  49   3.444   2.093  -3.909
  341    HD1  PHE  49           HD1      PHE  49   3.580  -0.090  -0.883
  342    HD2  PHE  49           HD2      PHE  49   3.337   3.858  -2.421
  343    HE1  PHE  49           HE1      PHE  49   3.763   0.829   1.446
  344    HE2  PHE  49           HE2      PHE  49   3.520   4.776  -0.093
  345    HZ   PHE  49           HZ       PHE  49   3.731   3.251   1.813
  346    H    LYS  50           H        LYS  50   3.275  -1.593  -4.239
  347    HA   LYS  50           HA       LYS  50   1.882  -3.464  -2.682
  348   1HB   LYS  50          1HB       LYS  50   4.469  -3.533  -4.238
  349   2HB   LYS  50          2HB       LYS  50   3.910  -4.921  -3.327
  350   1HG   LYS  50          1HG       LYS  50   1.603  -4.178  -4.686
  351   2HG   LYS  50          2HG       LYS  50   2.846  -3.765  -5.849
  352   1HD   LYS  50          1HD       LYS  50   3.616  -6.299  -4.816
  353   2HD   LYS  50          2HD       LYS  50   1.881  -6.407  -5.042
  354   1HE   LYS  50          1HE       LYS  50   2.876  -5.066  -7.356
  355   2HE   LYS  50          2HE       LYS  50   3.992  -6.383  -7.057
  356   1HZ   LYS  50          1HZ       LYS  50   1.075  -6.714  -7.144
  357   2HZ   LYS  50          2HZ       LYS  50   2.065  -6.994  -8.412
  358   3HZ   LYS  50          3HZ       LYS  50   2.190  -7.905  -7.062
  359    HA   PRO  51           HA       PRO  51   3.956  -3.317   1.099
  360   1HB   PRO  51          1HB       PRO  51   4.027  -5.926   1.908
  361   2HB   PRO  51          2HB       PRO  51   2.596  -4.923   2.032
  362   1HG   PRO  51          1HG       PRO  51   3.183  -7.083   0.101
  363   2HG   PRO  51          2HG       PRO  51   1.636  -6.372   0.516
  364   1HD   PRO  51          1HD       PRO  51   3.178  -5.869  -1.850
  365   2HD   PRO  51          2HD       PRO  51   1.689  -5.073  -1.380
  366    H    LEU  52           H        LEU  52   5.964  -2.674   1.514
  367    HA   LEU  52           HA       LEU  52   8.104  -3.251   0.041
  368   1HB   LEU  52          1HB       LEU  52   8.395  -1.625   1.633
  369   2HB   LEU  52          2HB       LEU  52   7.753  -2.608   2.933
  370    HG   LEU  52           HG       LEU  52  10.414  -3.185   1.616
  371   1HD1  LEU  52          1HD1      LEU  52   9.870  -1.481   4.062
  372   2HD1  LEU  52          2HD1      LEU  52  11.473  -2.040   3.527
  373   3HD1  LEU  52          3HD1      LEU  52  10.529  -0.931   2.503
  374   1HD2  LEU  52          1HD2      LEU  52   8.824  -4.613   3.469
  375   2HD2  LEU  52          2HD2      LEU  52  10.482  -4.970   2.927
  376   3HD2  LEU  52          3HD2      LEU  52  10.215  -3.963   4.370
  377    H    GLN  53           H        GLN  53   9.650  -4.857  -0.227
  378    HA   GLN  53           HA       GLN  53   8.820  -7.442   0.318
  379   1HB   GLN  53          1HB       GLN  53  11.173  -8.051  -0.439
  380   2HB   GLN  53          2HB       GLN  53  10.264  -7.054  -1.557
  381   1HG   GLN  53          1HG       GLN  53  11.861  -5.538   0.459
  382   2HG   GLN  53          2HG       GLN  53  12.810  -6.474  -0.679
  383   2HE2  GLN  53          2HE2      GLN  53  11.453  -3.556  -0.118
  384   1HE2  GLN  53          1HE2      GLN  53  11.281  -2.937  -1.726
  385    H    GLU  54           H        GLU  54   8.358  -7.396   2.652
  386    HA   GLU  54           HA       GLU  54  10.170  -6.743   4.574
  387   1HB   GLU  54          1HB       GLU  54   8.771  -7.953   6.100
  388   2HB   GLU  54          2HB       GLU  54   7.708  -7.335   4.851
  389   1HG   GLU  54          1HG       GLU  54   8.264  -9.703   3.696
  390   2HG   GLU  54          2HG       GLU  54   8.605 -10.171   5.351
  391    H    ALA  55           H        ALA  55  12.255  -7.450   4.754
  392    HA   ALA  55           HA       ALA  55  12.680 -10.322   4.841
  393   1HB   ALA  55          1HB       ALA  55  14.584 -10.170   3.271
  394   2HB   ALA  55          2HB       ALA  55  13.054  -9.722   2.479
  395   3HB   ALA  55          3HB       ALA  55  14.202  -8.456   2.976
  396    H    GLU  56           H        GLU  56  14.416  -7.122   4.797
  397    HA   GLU  56           HA       GLU  56  16.003  -8.086   7.005
  398   1HB   GLU  56          1HB       GLU  56  16.543  -6.455   4.787
  399   2HB   GLU  56          2HB       GLU  56  16.500  -5.322   6.122
  400   1HG   GLU  56          1HG       GLU  56  18.040  -7.003   7.381
  401   2HG   GLU  56          2HG       GLU  56  18.266  -7.785   5.829
  402    H    CYS  57           H        CYS  57  16.435  -6.461   8.861
  403    HA   CYS  57           HA       CYS  57  15.697  -5.280  10.556
  404   1HB   CYS  57          1HB       CYS  57  14.152  -4.018   8.334
  405   2HB   CYS  57          2HB       CYS  57  13.705  -3.624   9.982
  406    H    THR  58           H        THR  58  14.734  -6.565  12.098
  407    HA   THR  58           HA       THR  58  13.198  -7.737  13.196
  408    HB   THR  58           HB       THR  58  11.301  -6.133  11.401
  409    HG1  THR  58           HG1      THR  58  11.345  -4.823  13.393
  410   1HG2  THR  58          1HG2      THR  58  10.228  -8.142  12.597
  411   2HG2  THR  58          2HG2      THR  58  10.761  -7.409  14.129
  412   3HG2  THR  58          3HG2      THR  58   9.596  -6.553  13.090
  413    H    PHE  59           H        PHE  59  13.220  -9.877  12.979
  414    HA   PHE  59           HA       PHE  59  13.015 -11.887  12.095
  415   1HB   PHE  59          1HB       PHE  59  10.600 -11.228  12.182
  416   2HB   PHE  59          2HB       PHE  59  10.746 -10.397  10.647
  417    HD1  PHE  59           HD1      PHE  59  11.202 -13.799  12.112
  418    HD2  PHE  59           HD2      PHE  59  10.092 -11.499   8.723
  419    HE1  PHE  59           HE1      PHE  59  10.521 -15.896  10.912
  420    HE2  PHE  59           HE2      PHE  59   9.410 -13.596   7.523
  421    HZ   PHE  59           HZ       PHE  59   9.633 -15.769   8.632

  No H/Q in entry =         421
  Start of MODEL   40
    1    H    GLU   1           H        GLU   1  11.698  -9.706  17.219
    2    HA   GLU   1           HA       GLU   1  10.524  -9.227  15.366
    3   1HB   GLU   1          1HB       GLU   1  13.198  -9.489  14.104
    4   2HB   GLU   1          2HB       GLU   1  11.875 -10.003  13.077
    5   1HG   GLU   1          1HG       GLU   1  10.763  -7.715  13.962
    6   2HG   GLU   1          2HG       GLU   1  12.438  -7.272  14.227
    7    H    GLU   2           H        GLU   2   8.985 -10.635  14.471
    8    HA   GLU   2           HA       GLU   2   9.735 -13.300  13.838
    9   1HB   GLU   2          1HB       GLU   2   8.212 -14.391  15.483
   10   2HB   GLU   2          2HB       GLU   2   9.549 -13.569  16.261
   11   1HG   GLU   2          1HG       GLU   2   7.881 -11.516  16.388
   12   2HG   GLU   2          2HG       GLU   2   6.640 -12.724  16.119
   13    H    TYR   3           H        TYR   3   7.035 -11.030  14.668
   14    HA   TYR   3           HA       TYR   3   5.841 -11.632  12.089
   15   1HB   TYR   3          1HB       TYR   3   4.725 -13.239  13.559
   16   2HB   TYR   3          2HB       TYR   3   4.699 -12.104  14.895
   17    HD1  TYR   3           HD1      TYR   3   3.113 -13.001  11.677
   18    HD2  TYR   3           HD2      TYR   3   2.929 -10.478  15.128
   19    HE1  TYR   3           HE1      TYR   3   0.745 -12.314  11.058
   20    HE2  TYR   3           HE2      TYR   3   0.561  -9.800  14.496
   21    HH   TYR   3           HH       TYR   3  -0.846  -9.703  12.639
   22    H    VAL   4           H        VAL   4   6.261  -9.495  11.429
   23    HA   VAL   4           HA       VAL   4   4.822  -7.466  12.996
   24    HB   VAL   4           HB       VAL   4   6.586  -5.983  11.665
   25   1HG1  VAL   4          1HG1      VAL   4   6.513  -7.220  14.335
   26   2HG1  VAL   4          2HG1      VAL   4   8.132  -6.678  13.833
   27   3HG1  VAL   4          3HG1      VAL   4   6.776  -5.525  13.860
   28   1HG2  VAL   4          1HG2      VAL   4   7.622  -7.918  10.529
   29   2HG2  VAL   4          2HG2      VAL   4   8.780  -7.046  11.562
   30   3HG2  VAL   4          3HG2      VAL   4   8.082  -8.589  12.112
   31    H    GLY   5           H        GLY   5   2.855  -7.564  11.896
   32   1HA   GLY   5          1HA       GLY   5   1.898  -8.045   9.626
   33   2HA   GLY   5          2HA       GLY   5   3.009  -6.826   9.037
   34    H    LEU   6           H        LEU   6   2.281  -5.770  12.104
   35    HA   LEU   6           HA       LEU   6  -0.052  -4.266  11.139
   36   1HB   LEU   6          1HB       LEU   6  -0.482  -4.038  13.676
   37   2HB   LEU   6          2HB       LEU   6  -0.959  -5.495  12.827
   38    HG   LEU   6           HG       LEU   6   1.733  -5.449  14.133
   39   1HD1  LEU   6          1HD1      LEU   6  -0.720  -4.921  15.563
   40   2HD1  LEU   6          2HD1      LEU   6  -0.018  -6.475  16.072
   41   3HD1  LEU   6          3HD1      LEU   6   0.955  -4.987  16.160
   42   1HD2  LEU   6          1HD2      LEU   6  -0.388  -7.567  13.700
   43   2HD2  LEU   6          2HD2      LEU   6   1.159  -7.390  12.838
   44   3HD2  LEU   6          3HD2      LEU   6   1.146  -7.829  14.563
   45    H    SER   7           H        SER   7   2.379  -3.354  10.309
   46    HA   SER   7           HA       SER   7   2.500  -0.896  11.748
   47   1HB   SER   7          1HB       SER   7   4.925  -0.962  12.180
   48   2HB   SER   7          2HB       SER   7   4.113  -2.257  13.037
   49    HG   SER   7           HG       SER   7   4.709  -3.397  10.759
   50    H    ALA   8           H        ALA   8   4.819   0.202  10.584
   51    HA   ALA   8           HA       ALA   8   3.935   0.480   7.877
   52   1HB   ALA   8          1HB       ALA   8   4.874   2.275   9.489
   53   2HB   ALA   8          2HB       ALA   8   5.451   2.294   7.805
   54   3HB   ALA   8          3HB       ALA   8   6.474   1.607   9.089
   55    H    ASN   9           H        ASN   9   6.190  -1.528   9.633
   56    HA   ASN   9           HA       ASN   9   8.248  -1.959   8.070
   57   1HB   ASN   9          1HB       ASN   9   7.009  -3.396  10.078
   58   2HB   ASN   9          2HB       ASN   9   6.789  -4.494   8.731
   59   2HD2  ASN   9          2HD2      ASN   9   8.276  -5.342  10.755
   60   1HD2  ASN   9          1HD2      ASN   9   9.963  -5.394  10.369
   61    H    GLN  10           H        GLN  10   4.843  -2.674   7.327
   62    HA   GLN  10           HA       GLN  10   5.554  -4.227   5.016
   63   1HB   GLN  10          1HB       GLN  10   3.444  -4.400   6.701
   64   2HB   GLN  10          2HB       GLN  10   2.731  -3.330   5.511
   65   1HG   GLN  10          1HG       GLN  10   2.315  -5.138   4.209
   66   2HG   GLN  10          2HG       GLN  10   4.043  -5.322   3.981
   67   2HE2  GLN  10          2HE2      GLN  10   2.010  -5.680   6.875
   68   1HE2  GLN  10          1HE2      GLN  10   2.397  -7.333   7.217
   69    H    CYS  11           H        CYS  11   4.016  -1.054   5.830
   70    HA   CYS  11           HA       CYS  11   4.355  -0.323   3.014
   71   1HB   CYS  11          1HB       CYS  11   2.642   1.300   4.830
   72   2HB   CYS  11          2HB       CYS  11   2.501   1.012   3.108
   73    H    ALA  12           H        ALA  12   6.665  -0.350   4.540
   74    HA   ALA  12           HA       ALA  12   7.010   2.468   5.306
   75   1HB   ALA  12          1HB       ALA  12   9.034   1.429   6.575
   76   2HB   ALA  12          2HB       ALA  12   7.402   1.197   7.247
   77   3HB   ALA  12          3HB       ALA  12   8.187  -0.119   6.342
   78    H    VAL  13           H        VAL  13   7.019   2.083   2.628
   79    HA   VAL  13           HA       VAL  13   9.737   1.470   1.811
   80    HB   VAL  13           HB       VAL  13   7.778   2.482  -0.147
   81   1HG1  VAL  13          1HG1      VAL  13   9.998   0.566   0.034
   82   2HG1  VAL  13          2HG1      VAL  13   8.624  -0.024  -0.932
   83   3HG1  VAL  13          3HG1      VAL  13   9.411   1.517  -1.351
   84   1HG2  VAL  13          1HG2      VAL  13   7.213   0.058   1.559
   85   2HG2  VAL  13          2HG2      VAL  13   6.113   1.365   1.059
   86   3HG2  VAL  13          3HG2      VAL  13   6.648   0.150  -0.127
   87    HA   PRO  14           HA       PRO  14  10.918   5.624   1.655
   88   1HB   PRO  14          1HB       PRO  14  12.948   5.537  -0.173
   89   2HB   PRO  14          2HB       PRO  14  13.145   5.061   1.502
   90   1HG   PRO  14          1HG       PRO  14  12.937   3.349  -0.899
   91   2HG   PRO  14          2HG       PRO  14  13.549   2.940   0.691
   92   1HD   PRO  14          1HD       PRO  14  10.996   2.223  -0.403
   93   2HD   PRO  14          2HD       PRO  14  11.562   1.914   1.226
   94    H    ALA  15           H        ALA  15   9.150   4.232  -0.666
   95    HA   ALA  15           HA       ALA  15   7.711   5.276  -2.052
   96   1HB   ALA  15          1HB       ALA  15   9.283   7.794  -2.332
   97   2HB   ALA  15          2HB       ALA  15   7.532   7.555  -2.122
   98   3HB   ALA  15          3HB       ALA  15   8.619   7.455  -0.716
   99    H    LYS  16           H        LYS  16  11.230   5.321  -2.351
  100    HA   LYS  16           HA       LYS  16  11.078   5.446  -5.243
  101   1HB   LYS  16          1HB       LYS  16  13.513   5.470  -5.146
  102   2HB   LYS  16          2HB       LYS  16  12.833   6.695  -4.093
  103   1HG   LYS  16          1HG       LYS  16  14.286   5.793  -2.556
  104   2HG   LYS  16          2HG       LYS  16  12.983   4.647  -2.306
  105   1HD   LYS  16          1HD       LYS  16  14.982   3.340  -2.626
  106   2HD   LYS  16          2HD       LYS  16  14.041   3.167  -4.095
  107   1HE   LYS  16          1HE       LYS  16  15.556   4.357  -5.378
  108   2HE   LYS  16          2HE       LYS  16  15.952   5.466  -4.080
  109   1HZ   LYS  16          1HZ       LYS  16  17.005   3.345  -3.069
  110   2HZ   LYS  16          2HZ       LYS  16  17.048   2.834  -4.620
  111   3HZ   LYS  16          3HZ       LYS  16  17.817   4.210  -4.192
  112    H    ASP  17           H        ASP  17  10.161   3.167  -3.164
  113    HA   ASP  17           HA       ASP  17  11.272   1.070  -4.849
  114   1HB   ASP  17          1HB       ASP  17  11.657   1.421  -2.030
  115   2HB   ASP  17          2HB       ASP  17  10.551   0.074  -2.211
  116    H    ARG  18           H        ARG  18   8.676   2.765  -4.652
  117    HA   ARG  18           HA       ARG  18   6.724   0.982  -3.670
  118   1HB   ARG  18          1HB       ARG  18   6.241   3.304  -5.589
  119   2HB   ARG  18          2HB       ARG  18   5.121   2.644  -4.413
  120   1HG   ARG  18          1HG       ARG  18   7.770   3.777  -3.471
  121   2HG   ARG  18          2HG       ARG  18   6.459   4.870  -3.869
  122   1HD   ARG  18          1HD       ARG  18   5.173   2.948  -2.300
  123   2HD   ARG  18          2HD       ARG  18   6.752   3.052  -1.545
  124    HE   ARG  18           HE       ARG  18   5.467   5.645  -2.144
  125   1HH1  ARG  18          1HH1      ARG  18   6.073   3.136   0.247
  126   2HH1  ARG  18          2HH1      ARG  18   5.726   4.162   1.599
  127   1HH2  ARG  18          1HH2      ARG  18   5.010   6.999  -0.361
  128   2HH2  ARG  18          2HH2      ARG  18   5.118   6.374   1.251
  129    H    VAL  19           H        VAL  19   5.662  -0.661  -4.772
  130    HA   VAL  19           HA       VAL  19   6.460  -1.105  -7.522
  131    HB   VAL  19           HB       VAL  19   4.699  -2.818  -5.771
  132   1HG1  VAL  19          1HG1      VAL  19   5.586  -3.030  -8.453
  133   2HG1  VAL  19          2HG1      VAL  19   6.496  -4.239  -7.517
  134   3HG1  VAL  19          3HG1      VAL  19   4.716  -4.244  -7.484
  135   1HG2  VAL  19          1HG2      VAL  19   7.708  -2.551  -5.801
  136   2HG2  VAL  19          2HG2      VAL  19   6.596  -2.571  -4.411
  137   3HG2  VAL  19          3HG2      VAL  19   6.911  -4.068  -5.321
  138    H    ASP  20           H        ASP  20   4.132   0.713  -5.956
  139    HA   ASP  20           HA       ASP  20   2.090   1.367  -6.406
  140   1HB   ASP  20          1HB       ASP  20   3.159   2.702  -8.064
  141   2HB   ASP  20          2HB       ASP  20   3.481   1.325  -9.099
  142    H    CYS  21           H        CYS  21   0.779  -0.496  -5.849
  143    HA   CYS  21           HA       CYS  21   0.488  -2.697  -7.555
  144   1HB   CYS  21          1HB       CYS  21  -1.792  -2.705  -6.043
  145   2HB   CYS  21          2HB       CYS  21  -0.258  -3.426  -5.598
  146    H    GLY  22           H        GLY  22  -0.655   0.565  -7.666
  147   1HA   GLY  22          1HA       GLY  22  -2.105   0.124 -10.072
  148   2HA   GLY  22          2HA       GLY  22  -1.946   1.624  -9.182
  149    H    TYR  23           H        TYR  23  -3.607   2.332  -7.825
  150    HA   TYR  23           HA       TYR  23  -6.011   0.666  -7.886
  151   1HB   TYR  23          1HB       TYR  23  -4.399   1.813  -5.566
  152   2HB   TYR  23          2HB       TYR  23  -6.142   1.763  -5.390
  153    HD1  TYR  23           HD1      TYR  23  -7.319  -0.510  -5.647
  154    HD2  TYR  23           HD2      TYR  23  -3.087  -0.110  -5.159
  155    HE1  TYR  23           HE1      TYR  23  -7.168  -2.936  -4.904
  156    HE2  TYR  23           HE2      TYR  23  -2.950  -2.538  -4.418
  157    HH   TYR  23           HH       TYR  23  -5.679  -4.664  -4.700
  158    HA   PRO  24           HA       PRO  24  -7.824   4.494  -8.787
  159   1HB   PRO  24          1HB       PRO  24 -10.459   3.901  -8.369
  160   2HB   PRO  24          2HB       PRO  24  -9.603   3.479  -9.839
  161   1HG   PRO  24          1HG       PRO  24 -10.416   1.728  -7.599
  162   2HG   PRO  24          2HG       PRO  24  -9.955   1.282  -9.230
  163   1HD   PRO  24          1HD       PRO  24  -8.344   1.050  -6.869
  164   2HD   PRO  24          2HD       PRO  24  -7.846   0.713  -8.515
  165    H    HIS  25           H        HIS  25 -10.144   3.534  -6.363
  166    HA   HIS  25           HA       HIS  25  -9.688   6.046  -5.058
  167   1HB   HIS  25          1HB       HIS  25 -11.638   5.556  -3.803
  168   2HB   HIS  25          2HB       HIS  25 -11.950   5.051  -5.452
  169    HD1  HIS  25           HD1      HIS  25 -13.542   3.884  -3.030
  170    HD2  HIS  25           HD2      HIS  25 -10.184   2.074  -4.775
  171    HE1  HIS  25           HE1      HIS  25 -13.694   1.401  -2.464
  172    HE2  HIS  25           HE2      HIS  25 -11.634   0.333  -3.608
  173    H    VAL  26           H        VAL  26  -7.468   5.774  -4.357
  174    HA   VAL  26           HA       VAL  26  -7.009   3.656  -2.420
  175    HB   VAL  26           HB       VAL  26  -4.683   4.520  -2.496
  176   1HG1  VAL  26          1HG1      VAL  26  -6.040   3.711  -5.080
  177   2HG1  VAL  26          2HG1      VAL  26  -4.272   3.840  -4.912
  178   3HG1  VAL  26          3HG1      VAL  26  -5.179   2.678  -3.913
  179   1HG2  VAL  26          1HG2      VAL  26  -5.706   6.863  -3.360
  180   2HG2  VAL  26          2HG2      VAL  26  -4.023   6.362  -3.652
  181   3HG2  VAL  26          3HG2      VAL  26  -5.249   6.142  -4.923
  182    H    THR  27           H        THR  27  -6.788   3.976  -0.219
  183    HA   THR  27           HA       THR  27  -6.622   6.680   0.801
  184    HB   THR  27           HB       THR  27  -8.753   6.712   1.842
  185    HG1  THR  27           HG1      THR  27  -9.895   4.604   2.056
  186   1HG2  THR  27          1HG2      THR  27  -9.154   5.036  -0.692
  187   2HG2  THR  27          2HG2      THR  27 -10.462   5.847   0.202
  188   3HG2  THR  27          3HG2      THR  27  -9.198   6.813  -0.597
  189    HA   PRO  28           HA       PRO  28  -4.636   4.708   4.055
  190   1HB   PRO  28          1HB       PRO  28  -5.331   6.134   6.280
  191   2HB   PRO  28          2HB       PRO  28  -4.138   6.687   5.122
  192   1HG   PRO  28          1HG       PRO  28  -6.918   7.617   5.507
  193   2HG   PRO  28          2HG       PRO  28  -5.598   8.415   4.675
  194   1HD   PRO  28          1HD       PRO  28  -7.805   7.037   3.468
  195   2HD   PRO  28          2HD       PRO  28  -6.426   7.735   2.641
  196    H    LYS  29           H        LYS  29  -6.992   3.377   3.254
  197    HA   LYS  29           HA       LYS  29  -7.199   1.578   5.355
  198   1HB   LYS  29          1HB       LYS  29  -8.458   3.698   6.260
  199   2HB   LYS  29          2HB       LYS  29  -9.751   3.159   5.208
  200   1HG   LYS  29          1HG       LYS  29  -8.436   1.135   7.028
  201   2HG   LYS  29          2HG       LYS  29  -9.564   2.279   7.729
  202   1HD   LYS  29          1HD       LYS  29 -11.395   1.368   6.637
  203   2HD   LYS  29          2HD       LYS  29 -10.474   0.947   5.206
  204   1HE   LYS  29          1HE       LYS  29  -9.993  -1.151   5.985
  205   2HE   LYS  29          2HE       LYS  29  -9.603  -0.568   7.591
  206   1HZ   LYS  29          1HZ       LYS  29 -11.992  -0.367   7.992
  207   2HZ   LYS  29          2HZ       LYS  29 -12.304  -1.020   6.528
  208   3HZ   LYS  29          3HZ       LYS  29 -11.547  -1.906   7.673
  209    H    GLU  30           H        GLU  30  -8.735   3.189   2.541
  210    HA   GLU  30           HA       GLU  30 -10.093   0.800   1.807
  211   1HB   GLU  30          1HB       GLU  30 -10.972   3.098   1.317
  212   2HB   GLU  30          2HB       GLU  30  -9.632   3.365   0.221
  213   1HG   GLU  30          1HG       GLU  30 -10.719   2.284  -1.448
  214   2HG   GLU  30          2HG       GLU  30 -10.868   0.840  -0.466
  215    H    CYS  31           H        CYS  31  -7.069   2.511   0.943
  216    HA   CYS  31           HA       CYS  31  -6.537   0.865  -1.304
  217   1HB   CYS  31          1HB       CYS  31  -5.484   2.886  -1.487
  218   2HB   CYS  31          2HB       CYS  31  -5.087   2.975   0.217
  219    H    ASN  32           H        ASN  32  -6.056   0.738   2.203
  220    HA   ASN  32           HA       ASN  32  -4.133  -1.383   1.953
  221   1HB   ASN  32          1HB       ASN  32  -5.461  -0.452   4.535
  222   2HB   ASN  32          2HB       ASN  32  -3.884  -1.194   4.347
  223   2HD2  ASN  32          2HD2      ASN  32  -5.807   1.690   3.815
  224   1HD2  ASN  32          1HD2      ASN  32  -4.509   2.827   3.679
  225    H    ASN  33           H        ASN  33  -7.465  -1.048   1.701
  226    HA   ASN  33           HA       ASN  33  -8.048  -3.479   3.165
  227   1HB   ASN  33          1HB       ASN  33  -9.611  -1.630   3.560
  228   2HB   ASN  33          2HB       ASN  33  -9.818  -1.365   1.840
  229   2HD2  ASN  33          2HD2      ASN  33 -12.082  -1.577   2.875
  230   1HD2  ASN  33          1HD2      ASN  33 -12.832  -3.135   2.759
  231    H    ARG  34           H        ARG  34  -8.211  -1.905  -0.089
  232    HA   ARG  34           HA       ARG  34  -9.499  -3.872  -1.450
  233   1HB   ARG  34          1HB       ARG  34  -8.373  -1.471  -2.114
  234   2HB   ARG  34          2HB       ARG  34  -7.186  -2.540  -2.836
  235   1HG   ARG  34          1HG       ARG  34  -9.033  -1.912  -4.423
  236   2HG   ARG  34          2HG       ARG  34  -8.890  -3.644  -4.193
  237   1HD   ARG  34          1HD       ARG  34 -10.935  -3.812  -3.147
  238   2HD   ARG  34          2HD       ARG  34 -10.719  -2.320  -2.253
  239    HE   ARG  34           HE       ARG  34 -11.046  -1.660  -5.015
  240   1HH1  ARG  34          1HH1      ARG  34 -12.909  -2.959  -2.328
  241   2HH1  ARG  34          2HH1      ARG  34 -14.424  -2.372  -2.927
  242   1HH2  ARG  34          1HH2      ARG  34 -13.044  -0.884  -5.807
  243   2HH2  ARG  34          2HH2      ARG  34 -14.501  -1.184  -4.920
  244    H    GLY  35           H        GLY  35  -6.250  -3.816  -0.106
  245   1HA   GLY  35          1HA       GLY  35  -5.669  -6.391  -1.444
  246   2HA   GLY  35          2HA       GLY  35  -5.257  -6.013   0.217
  247    H    CYS  36           H        CYS  36  -3.779  -4.036   0.561
  248    HA   CYS  36           HA       CYS  36  -1.413  -4.411  -0.730
  249   1HB   CYS  36          1HB       CYS  36  -3.094  -3.161  -2.528
  250   2HB   CYS  36          2HB       CYS  36  -2.207  -1.817  -1.836
  251    H    CYS  37           H        CYS  37  -0.586  -1.539  -0.758
  252    HA   CYS  37           HA       CYS  37  -1.107  -0.895   2.053
  253   1HB   CYS  37          1HB       CYS  37   1.478  -1.142   0.588
  254   2HB   CYS  37          2HB       CYS  37   1.331   0.146   1.768
  255    H    PHE  38           H        PHE  38  -1.152   1.427   2.512
  256    HA   PHE  38           HA       PHE  38  -1.506   3.024   0.073
  257   1HB   PHE  38          1HB       PHE  38  -3.595   2.663   1.368
  258   2HB   PHE  38          2HB       PHE  38  -2.780   3.055   2.870
  259    HD1  PHE  38           HD1      PHE  38  -4.056   4.472  -0.289
  260    HD2  PHE  38           HD2      PHE  38  -2.534   5.312   3.582
  261    HE1  PHE  38           HE1      PHE  38  -4.757   6.870  -0.533
  262    HE2  PHE  38           HE2      PHE  38  -3.235   7.710   3.338
  263    HZ   PHE  38           HZ       PHE  38  -4.338   8.460   1.283
  264    H    ASP  39           H        ASP  39  -1.320   5.521   0.687
  265    HA   ASP  39           HA       ASP  39   0.319   6.231   2.797
  266   1HB   ASP  39          1HB       ASP  39   2.138   5.077   1.692
  267   2HB   ASP  39          2HB       ASP  39   1.702   5.740   0.130
  268    H    SER  40           H        SER  40   0.491   8.575   2.842
  269    HA   SER  40           HA       SER  40  -0.450   9.912   0.439
  270   1HB   SER  40          1HB       SER  40  -1.924  11.365   1.777
  271   2HB   SER  40          2HB       SER  40  -2.388   9.684   1.957
  272    HG   SER  40           HG       SER  40  -1.785   9.681   4.045
  273    H    ARG  41           H        ARG  41   2.144   9.424   2.181
  274    HA   ARG  41           HA       ARG  41   2.820  11.813   3.357
  275   1HB   ARG  41          1HB       ARG  41   4.004   9.376   3.171
  276   2HB   ARG  41          2HB       ARG  41   4.963  10.212   1.966
  277   1HG   ARG  41          1HG       ARG  41   4.728  11.960   4.245
  278   2HG   ARG  41          2HG       ARG  41   5.163  10.372   4.845
  279   1HD   ARG  41          1HD       ARG  41   7.257  10.436   3.888
  280   2HD   ARG  41          2HD       ARG  41   6.675  11.187   2.416
  281    HE   ARG  41           HE       ARG  41   7.314  13.244   3.299
  282   1HH1  ARG  41          1HH1      ARG  41   6.674  11.043   5.969
  283   2HH1  ARG  41          2HH1      ARG  41   7.135  12.184   7.187
  284   1HH2  ARG  41          1HH2      ARG  41   7.922  14.750   4.906
  285   2HH2  ARG  41          2HH2      ARG  41   7.849  14.306   6.579
  286    H    ILE  42           H        ILE  42   3.363  10.566  -0.002
  287    HA   ILE  42           HA       ILE  42   3.602  13.320  -0.898
  288    HB   ILE  42           HB       ILE  42   5.561  12.122  -2.381
  289   1HG1  ILE  42          1HG1      ILE  42   7.119  11.090  -0.750
  290   2HG1  ILE  42          2HG1      ILE  42   5.860  11.129   0.469
  291   1HG2  ILE  42          1HG2      ILE  42   5.335  14.157  -0.310
  292   2HG2  ILE  42          2HG2      ILE  42   6.937  13.382  -0.327
  293   3HG2  ILE  42          3HG2      ILE  42   6.300  14.141  -1.806
  294   1HD1  ILE  42          1HD1      ILE  42   4.963   9.914  -2.077
  295   2HD1  ILE  42          2HD1      ILE  42   6.304   9.039  -1.301
  296   3HD1  ILE  42          3HD1      ILE  42   4.789   9.317  -0.409
  297    HA   PRO  43           HA       PRO  43   1.073  11.546  -3.937
  298   1HB   PRO  43          1HB       PRO  43   0.793  13.723  -5.567
  299   2HB   PRO  43          2HB       PRO  43  -0.168  13.477  -4.122
  300   1HG   PRO  43          1HG       PRO  43   2.090  15.336  -4.553
  301   2HG   PRO  43          2HG       PRO  43   0.865  15.368  -3.299
  302   1HD   PRO  43          1HD       PRO  43   3.582  14.492  -3.022
  303   2HD   PRO  43          2HD       PRO  43   2.326  14.416  -1.802
  304    H    GLY  44           H        GLY  44   3.972  13.260  -4.871
  305   1HA   GLY  44          1HA       GLY  44   5.600  12.567  -6.290
  306   2HA   GLY  44          2HA       GLY  44   4.298  12.656  -7.459
  307    H    VAL  45           H        VAL  45   4.879  10.356  -4.707
  308    HA   VAL  45           HA       VAL  45   5.403   8.232  -6.599
  309    HB   VAL  45           HB       VAL  45   6.302   7.102  -4.849
  310   1HG1  VAL  45          1HG1      VAL  45   7.044   9.683  -4.983
  311   2HG1  VAL  45          2HG1      VAL  45   6.482   9.637  -3.295
  312   3HG1  VAL  45          3HG1      VAL  45   7.763   8.526  -3.837
  313   1HG2  VAL  45          1HG2      VAL  45   4.164   8.384  -3.145
  314   2HG2  VAL  45          2HG2      VAL  45   4.449   6.660  -3.482
  315   3HG2  VAL  45          3HG2      VAL  45   5.559   7.554  -2.415
  316    HA   PRO  46           HA       PRO  46   1.482   6.419  -6.389
  317   1HB   PRO  46          1HB       PRO  46   1.928   3.736  -6.119
  318   2HB   PRO  46          2HB       PRO  46   2.101   4.588  -7.640
  319   1HG   PRO  46          1HG       PRO  46   4.210   3.588  -5.826
  320   2HG   PRO  46          2HG       PRO  46   4.340   4.047  -7.512
  321   1HD   PRO  46          1HD       PRO  46   5.197   5.581  -5.245
  322   2HD   PRO  46          2HD       PRO  46   5.220   6.088  -6.922
  323    H    TRP  47           H        TRP  47   0.547   7.441  -4.619
  324    HA   TRP  47           HA       TRP  47   0.912   7.071  -2.049
  325   1HB   TRP  47          1HB       TRP  47  -1.560   7.379  -3.668
  326   2HB   TRP  47          2HB       TRP  47  -1.764   6.948  -1.982
  327    HD1  TRP  47           HD1      TRP  47   1.127   9.297  -2.948
  328    HE1  TRP  47           HE1      TRP  47   0.744  11.731  -2.003
  329    HE3  TRP  47           HE3      TRP  47  -3.628   8.490  -1.335
  330    HZ2  TRP  47           HZ2      TRP  47  -1.455  13.017  -0.716
  331    HZ3  TRP  47           HZ3      TRP  47  -4.822  10.387  -0.245
  332    HH2  TRP  47           HH2      TRP  47  -3.812  12.590   0.074
  333    H    CYS  48           H        CYS  48  -0.993   4.773  -4.126
  334    HA   CYS  48           HA       CYS  48  -0.917   2.851  -1.956
  335   1HB   CYS  48          1HB       CYS  48  -2.972   3.433  -3.438
  336   2HB   CYS  48          2HB       CYS  48  -2.212   2.397  -4.630
  337    H    PHE  49           H        PHE  49   0.564   1.176  -1.933
  338    HA   PHE  49           HA       PHE  49   1.719   0.311  -4.442
  339   1HB   PHE  49          1HB       PHE  49   4.033   0.540  -3.247
  340   2HB   PHE  49          2HB       PHE  49   3.306   2.034  -3.806
  341    HD1  PHE  49           HD1      PHE  49   3.499  -0.118  -0.767
  342    HD2  PHE  49           HD2      PHE  49   3.087   3.806  -2.328
  343    HE1  PHE  49           HE1      PHE  49   3.645   0.822   1.556
  344    HE2  PHE  49           HE2      PHE  49   3.233   4.746  -0.005
  345    HZ   PHE  49           HZ       PHE  49   3.510   3.242   1.909
  346    H    LYS  50           H        LYS  50   3.140  -1.678  -4.091
  347    HA   LYS  50           HA       LYS  50   1.734  -3.498  -2.469
  348   1HB   LYS  50          1HB       LYS  50   4.366  -3.724  -3.956
  349   2HB   LYS  50          2HB       LYS  50   3.561  -5.068  -3.172
  350   1HG   LYS  50          1HG       LYS  50   1.505  -3.914  -4.682
  351   2HG   LYS  50          2HG       LYS  50   2.904  -3.713  -5.717
  352   1HD   LYS  50          1HD       LYS  50   3.103  -6.355  -4.660
  353   2HD   LYS  50          2HD       LYS  50   1.418  -6.146  -5.096
  354   1HE   LYS  50          1HE       LYS  50   2.605  -5.037  -7.304
  355   2HE   LYS  50          2HE       LYS  50   3.844  -6.191  -6.853
  356   1HZ   LYS  50          1HZ       LYS  50   1.017  -6.933  -7.101
  357   2HZ   LYS  50          2HZ       LYS  50   2.073  -7.041  -8.342
  358   3HZ   LYS  50          3HZ       LYS  50   2.302  -7.935  -6.995
  359    HA   PRO  51           HA       PRO  51   3.912  -3.308   1.251
  360   1HB   PRO  51          1HB       PRO  51   3.993  -5.903   2.104
  361   2HB   PRO  51          2HB       PRO  51   2.570  -4.891   2.248
  362   1HG   PRO  51          1HG       PRO  51   3.096  -7.087   0.340
  363   2HG   PRO  51          2HG       PRO  51   1.564  -6.361   0.783
  364   1HD   PRO  51          1HD       PRO  51   3.044  -5.907  -1.631
  365   2HD   PRO  51          2HD       PRO  51   1.572  -5.095  -1.136
  366    H    LEU  52           H        LEU  52   5.934  -2.698   1.655
  367    HA   LEU  52           HA       LEU  52   8.039  -3.242   0.142
  368   1HB   LEU  52          1HB       LEU  52   8.191  -1.675   1.898
  369   2HB   LEU  52          2HB       LEU  52   7.874  -2.885   3.125
  370    HG   LEU  52           HG       LEU  52  10.369  -2.824   1.408
  371   1HD1  LEU  52          1HD1      LEU  52   9.883  -0.872   3.108
  372   2HD1  LEU  52          2HD1      LEU  52  10.388  -2.086   4.308
  373   3HD1  LEU  52          3HD1      LEU  52  11.496  -1.616   2.996
  374   1HD2  LEU  52          1HD2      LEU  52   9.270  -4.751   3.295
  375   2HD2  LEU  52          2HD2      LEU  52  10.621  -4.908   2.147
  376   3HD2  LEU  52          3HD2      LEU  52  10.899  -4.203   3.758
  377    H    GLN  53           H        GLN  53   9.438  -4.892  -0.349
  378    HA   GLN  53           HA       GLN  53   8.626  -7.472   0.193
  379   1HB   GLN  53          1HB       GLN  53  11.003  -8.038  -0.683
  380   2HB   GLN  53          2HB       GLN  53   9.923  -7.172  -1.757
  381   1HG   GLN  53          1HG       GLN  53  11.579  -5.442   0.030
  382   2HG   GLN  53          2HG       GLN  53  12.483  -6.360  -1.157
  383   2HE2  GLN  53          2HE2      GLN  53  11.293  -3.468  -0.652
  384   1HE2  GLN  53          1HE2      GLN  53  10.807  -2.960  -2.235
  385    H    GLU  54           H        GLU  54   8.338  -7.576   2.532
  386    HA   GLU  54           HA       GLU  54  10.266  -6.979   4.361
  387   1HB   GLU  54          1HB       GLU  54   8.994  -8.312   5.916
  388   2HB   GLU  54          2HB       GLU  54   7.849  -7.589   4.803
  389   1HG   GLU  54          1HG       GLU  54   7.062  -9.734   4.599
  390   2HG   GLU  54          2HG       GLU  54   8.380  -9.912   3.458
  391    H    ALA  55           H        ALA  55  12.371  -7.659   4.326
  392    HA   ALA  55           HA       ALA  55  12.800 -10.546   4.042
  393   1HB   ALA  55          1HB       ALA  55  14.990  -9.787   2.842
  394   2HB   ALA  55          2HB       ALA  55  13.467  -9.790   1.921
  395   3HB   ALA  55          3HB       ALA  55  14.116  -8.261   2.562
  396    H    GLU  56           H        GLU  56  14.180 -11.408   5.565
  397    HA   GLU  56           HA       GLU  56  14.672 -10.012   7.848
  398   1HB   GLU  56          1HB       GLU  56  14.915 -12.615   7.076
  399   2HB   GLU  56          2HB       GLU  56  16.612 -12.183   7.154
  400   1HG   GLU  56          1HG       GLU  56  16.528 -11.696   9.465
  401   2HG   GLU  56          2HG       GLU  56  14.802 -11.392   9.446
  402    H    CYS  57           H        CYS  57  17.149 -10.961   5.347
  403    HA   CYS  57           HA       CYS  57  18.369  -8.392   5.555
  404   1HB   CYS  57          1HB       CYS  57  19.423 -10.632   7.129
  405   2HB   CYS  57          2HB       CYS  57  20.613  -9.907   6.067
  406    H    THR  58           H        THR  58  19.285 -11.844   4.804
  407    HA   THR  58           HA       THR  58  19.064 -11.415   1.996
  408    HB   THR  58           HB       THR  58  21.201 -10.178   2.511
  409    HG1  THR  58           HG1      THR  58  21.459 -11.104   0.508
  410   1HG2  THR  58          1HG2      THR  58  21.783 -11.971   4.417
  411   2HG2  THR  58          2HG2      THR  58  22.482 -12.868   3.047
  412   3HG2  THR  58          3HG2      THR  58  23.084 -11.241   3.446
  413    H    PHE  59           H        PHE  59  19.332 -13.364   0.774
  414    HA   PHE  59           HA       PHE  59  18.823 -15.516   0.557
  415   1HB   PHE  59          1HB       PHE  59  21.244 -15.698   0.714
  416   2HB   PHE  59          2HB       PHE  59  21.233 -15.371   2.436
  417    HD1  PHE  59           HD1      PHE  59  20.591 -17.926  -0.128
  418    HD2  PHE  59           HD2      PHE  59  20.876 -17.128   4.030
  419    HE1  PHE  59           HE1      PHE  59  20.639 -20.392   0.342
  420    HE2  PHE  59           HE2      PHE  59  20.924 -19.594   4.500
  421    HZ   PHE  59           HZ       PHE  59  20.804 -21.196   2.650

  No H/Q in entry =         421
  Start of MODEL   41
    1    H    GLU   1           H        GLU   1   7.500 -18.302  20.235
    2    HA   GLU   1           HA       GLU   1   8.306 -16.524  18.715
    3   1HB   GLU   1          1HB       GLU   1   9.211 -18.988  18.941
    4   2HB   GLU   1          2HB       GLU   1   8.486 -19.230  17.364
    5   1HG   GLU   1          1HG       GLU   1   9.982 -16.730  17.367
    6   2HG   GLU   1          2HG       GLU   1  11.008 -18.023  17.957
    7    H    GLU   2           H        GLU   2   6.763 -15.166  17.714
    8    HA   GLU   2           HA       GLU   2   6.264 -15.708  15.042
    9   1HB   GLU   2          1HB       GLU   2   4.531 -17.236  16.232
   10   2HB   GLU   2          2HB       GLU   2   3.699 -15.757  16.672
   11   1HG   GLU   2          1HG       GLU   2   4.446 -15.794  13.819
   12   2HG   GLU   2          2HG       GLU   2   3.432 -17.158  14.247
   13    H    TYR   3           H        TYR   3   7.140 -13.605  14.822
   14    HA   TYR   3           HA       TYR   3   5.351 -11.473  15.775
   15   1HB   TYR   3          1HB       TYR   3   7.770 -11.933  16.845
   16   2HB   TYR   3          2HB       TYR   3   8.378 -11.277  15.338
   17    HD1  TYR   3           HD1      TYR   3   5.738 -10.348  17.854
   18    HD2  TYR   3           HD2      TYR   3   9.013  -9.056  15.423
   19    HE1  TYR   3           HE1      TYR   3   5.504  -7.991  18.779
   20    HE2  TYR   3           HE2      TYR   3   8.768  -6.704  16.356
   21    HH   TYR   3           HH       TYR   3   6.244  -5.969  18.753
   22    H    VAL   4           H        VAL   4   5.978  -9.319  14.505
   23    HA   VAL   4           HA       VAL   4   6.960  -9.697  11.867
   24    HB   VAL   4           HB       VAL   4   4.679 -10.767  11.796
   25   1HG1  VAL   4          1HG1      VAL   4   3.937  -8.276  13.021
   26   2HG1  VAL   4          2HG1      VAL   4   3.106  -8.426  11.454
   27   3HG1  VAL   4          3HG1      VAL   4   2.930  -9.704  12.681
   28   1HG2  VAL   4          1HG2      VAL   4   5.844  -8.775  10.005
   29   2HG2  VAL   4          2HG2      VAL   4   5.111 -10.355   9.638
   30   3HG2  VAL   4          3HG2      VAL   4   4.080  -8.913   9.809
   31    H    GLY   5           H        GLY   5   4.824  -7.441  11.170
   32   1HA   GLY   5          1HA       GLY   5   6.297  -5.244  11.188
   33   2HA   GLY   5          2HA       GLY   5   5.817  -5.288  12.873
   34    H    LEU   6           H        LEU   6   3.186  -6.644  12.254
   35    HA   LEU   6           HA       LEU   6   1.602  -5.461  10.454
   36   1HB   LEU   6          1HB       LEU   6   1.265  -7.009  12.699
   37   2HB   LEU   6          2HB       LEU   6   0.374  -5.559  13.114
   38    HG   LEU   6           HG       LEU   6  -0.170  -6.618  10.405
   39   1HD1  LEU   6          1HD1      LEU   6  -0.107  -8.445  12.598
   40   2HD1  LEU   6          2HD1      LEU   6  -1.805  -8.170  12.138
   41   3HD1  LEU   6          3HD1      LEU   6  -0.631  -8.723  10.920
   42   1HD2  LEU   6          1HD2      LEU   6  -1.458  -5.025  12.451
   43   2HD2  LEU   6          2HD2      LEU   6  -1.831  -5.177  10.717
   44   3HD2  LEU   6          3HD2      LEU   6  -2.530  -6.327  11.882
   45    H    SER   7           H        SER   7   1.985  -3.352   9.821
   46    HA   SER   7           HA       SER   7   0.678  -1.346  10.983
   47   1HB   SER   7          1HB       SER   7   2.748  -0.030  11.989
   48   2HB   SER   7          2HB       SER   7   1.844  -1.155  12.983
   49    HG   SER   7           HG       SER   7   3.602  -2.348  13.195
   50    H    ALA   8           H        ALA   8   4.136  -0.655  10.509
   51    HA   ALA   8           HA       ALA   8   3.470   0.355   7.833
   52   1HB   ALA   8          1HB       ALA   8   4.883   1.449  10.138
   53   2HB   ALA   8          2HB       ALA   8   5.908   1.463   8.684
   54   3HB   ALA   8          3HB       ALA   8   4.321   2.268   8.661
   55    H    ASN   9           H        ASN   9   5.453  -1.840   9.756
   56    HA   ASN   9           HA       ASN   9   7.652  -2.249   8.395
   57   1HB   ASN   9          1HB       ASN   9   7.094  -3.730  10.228
   58   2HB   ASN   9          2HB       ASN   9   5.648  -4.308   9.424
   59   2HD2  ASN   9          2HD2      ASN   9   9.176  -4.137   9.112
   60   1HD2  ASN   9          1HD2      ASN   9   9.407  -5.654   8.310
   61    H    GLN  10           H        GLN  10   4.329  -2.879   7.280
   62    HA   GLN  10           HA       GLN  10   5.233  -4.363   5.001
   63   1HB   GLN  10          1HB       GLN  10   2.942  -4.488   6.432
   64   2HB   GLN  10          2HB       GLN  10   2.414  -3.350   5.209
   65   1HG   GLN  10          1HG       GLN  10   2.010  -5.152   3.883
   66   2HG   GLN  10          2HG       GLN  10   3.747  -5.286   3.696
   67   2HE2  GLN  10          2HE2      GLN  10   0.913  -6.701   4.872
   68   1HE2  GLN  10          1HE2      GLN  10   1.584  -8.057   5.715
   69    H    CYS  11           H        CYS  11   3.694  -1.163   5.720
   70    HA   CYS  11           HA       CYS  11   4.353  -0.372   2.983
   71   1HB   CYS  11          1HB       CYS  11   2.661   1.401   4.635
   72   2HB   CYS  11          2HB       CYS  11   2.547   0.982   2.937
   73    H    ALA  12           H        ALA  12   6.502  -0.616   4.768
   74    HA   ALA  12           HA       ALA  12   6.948   2.087   5.793
   75   1HB   ALA  12          1HB       ALA  12   8.189  -0.630   6.307
   76   2HB   ALA  12          2HB       ALA  12   8.988   0.875   6.822
   77   3HB   ALA  12          3HB       ALA  12   7.378   0.460   7.457
   78    H    VAL  13           H        VAL  13   6.844   1.795   2.964
   79    HA   VAL  13           HA       VAL  13   9.617   1.611   2.117
   80    HB   VAL  13           HB       VAL  13   7.604   2.414   0.154
   81   1HG1  VAL  13          1HG1      VAL  13  10.000   0.813   0.354
   82   2HG1  VAL  13          2HG1      VAL  13   8.709  -0.114  -0.446
   83   3HG1  VAL  13          3HG1      VAL  13   9.197   1.471  -1.091
   84   1HG2  VAL  13          1HG2      VAL  13   7.124   0.010   1.898
   85   2HG2  VAL  13          2HG2      VAL  13   5.964   1.194   1.251
   86   3HG2  VAL  13          3HG2      VAL  13   6.675  -0.034   0.177
   87    HA   PRO  14           HA       PRO  14  10.183   5.894   2.087
   88   1HB   PRO  14          1HB       PRO  14  12.120   6.185   0.181
   89   2HB   PRO  14          2HB       PRO  14  12.459   5.669   1.821
   90   1HG   PRO  14          1HG       PRO  14  12.392   4.054  -0.654
   91   2HG   PRO  14          2HG       PRO  14  13.127   3.668   0.890
   92   1HD   PRO  14          1HD       PRO  14  10.658   2.635  -0.141
   93   2HD   PRO  14          2HD       PRO  14  11.335   2.340   1.448
   94    H    ALA  15           H        ALA  15  10.214   4.775  -1.272
   95    HA   ALA  15           HA       ALA  15   7.897   5.715  -2.141
   96   1HB   ALA  15          1HB       ALA  15   9.758   8.017  -1.603
   97   2HB   ALA  15          2HB       ALA  15   7.994   7.909  -1.393
   98   3HB   ALA  15          3HB       ALA  15   8.686   8.091  -3.023
   99    H    LYS  16           H        LYS  16  11.351   5.327  -2.511
  100    HA   LYS  16           HA       LYS  16  11.123   5.314  -5.414
  101   1HB   LYS  16          1HB       LYS  16  13.538   5.238  -5.420
  102   2HB   LYS  16          2HB       LYS  16  12.994   6.530  -4.369
  103   1HG   LYS  16          1HG       LYS  16  14.515   5.567  -2.924
  104   2HG   LYS  16          2HG       LYS  16  13.131   4.575  -2.510
  105   1HD   LYS  16          1HD       LYS  16  14.069   3.138  -4.629
  106   2HD   LYS  16          2HD       LYS  16  15.574   3.862  -4.099
  107   1HE   LYS  16          1HE       LYS  16  14.192   2.957  -1.741
  108   2HE   LYS  16          2HE       LYS  16  14.124   1.655  -2.913
  109   1HZ   LYS  16          1HZ       LYS  16  16.553   2.022  -3.211
  110   2HZ   LYS  16          2HZ       LYS  16  16.522   3.010  -1.911
  111   3HZ   LYS  16          3HZ       LYS  16  16.122   1.434  -1.750
  112    H    ASP  17           H        ASP  17  10.417   3.251  -2.912
  113    HA   ASP  17           HA       ASP  17  11.350   0.954  -4.444
  114   1HB   ASP  17          1HB       ASP  17  11.291   1.573  -1.580
  115   2HB   ASP  17          2HB       ASP  17  10.414   0.091  -1.903
  116    H    ARG  18           H        ARG  18   8.786   2.885  -4.347
  117    HA   ARG  18           HA       ARG  18   6.722   1.128  -3.563
  118   1HB   ARG  18          1HB       ARG  18   6.408   3.568  -5.366
  119   2HB   ARG  18          2HB       ARG  18   5.222   2.894  -4.267
  120   1HG   ARG  18          1HG       ARG  18   7.858   4.197  -3.435
  121   2HG   ARG  18          2HG       ARG  18   6.281   4.953  -3.337
  122   1HD   ARG  18          1HD       ARG  18   5.576   2.939  -1.852
  123   2HD   ARG  18          2HD       ARG  18   7.280   2.540  -1.766
  124    HE   ARG  18           HE       ARG  18   7.519   4.251  -0.208
  125   1HH1  ARG  18          1HH1      ARG  18   4.780   5.018  -2.280
  126   2HH1  ARG  18          2HH1      ARG  18   4.379   6.471  -1.428
  127   1HH2  ARG  18          1HH2      ARG  18   6.990   6.169   0.916
  128   2HH2  ARG  18          2HH2      ARG  18   5.645   7.131   0.402
  129    H    VAL  19           H        VAL  19   6.030  -0.612  -4.767
  130    HA   VAL  19           HA       VAL  19   6.780  -0.780  -7.539
  131    HB   VAL  19           HB       VAL  19   5.094  -2.686  -5.918
  132   1HG1  VAL  19          1HG1      VAL  19   6.908  -3.082  -8.323
  133   2HG1  VAL  19          2HG1      VAL  19   6.040  -4.372  -7.455
  134   3HG1  VAL  19          3HG1      VAL  19   5.128  -3.114  -8.322
  135   1HG2  VAL  19          1HG2      VAL  19   8.063  -2.209  -5.875
  136   2HG2  VAL  19          2HG2      VAL  19   6.946  -2.547  -4.531
  137   3HG2  VAL  19          3HG2      VAL  19   7.424  -3.854  -5.642
  138    H    ASP  20           H        ASP  20   4.235   0.625  -5.763
  139    HA   ASP  20           HA       ASP  20   2.314   1.467  -6.309
  140   1HB   ASP  20          1HB       ASP  20   3.269   2.563  -8.199
  141   2HB   ASP  20          2HB       ASP  20   3.485   1.062  -9.077
  142    H    CYS  21           H        CYS  21   0.442   0.290  -5.882
  143    HA   CYS  21           HA       CYS  21   0.195  -2.349  -6.999
  144   1HB   CYS  21          1HB       CYS  21  -0.427  -1.359  -4.579
  145   2HB   CYS  21          2HB       CYS  21  -1.983  -1.163  -5.362
  146    H    GLY  22           H        GLY  22  -0.986   0.952  -7.468
  147   1HA   GLY  22          1HA       GLY  22  -2.228   0.259  -9.946
  148   2HA   GLY  22          2HA       GLY  22  -2.164   1.836  -9.183
  149    H    TYR  23           H        TYR  23  -3.812   2.480  -7.663
  150    HA   TYR  23           HA       TYR  23  -6.251   0.885  -7.959
  151   1HB   TYR  23          1HB       TYR  23  -4.687   1.783  -5.517
  152   2HB   TYR  23          2HB       TYR  23  -6.431   1.903  -5.399
  153    HD1  TYR  23           HD1      TYR  23  -7.768  -0.284  -6.066
  154    HD2  TYR  23           HD2      TYR  23  -3.644  -0.217  -4.929
  155    HE1  TYR  23           HE1      TYR  23  -7.889  -2.749  -5.453
  156    HE2  TYR  23           HE2      TYR  23  -3.779  -2.682  -4.320
  157    HH   TYR  23           HH       TYR  23  -6.188  -4.658  -5.334
  158    HA   PRO  24           HA       PRO  24  -7.965   4.792  -8.691
  159   1HB   PRO  24          1HB       PRO  24 -10.622   4.249  -8.355
  160   2HB   PRO  24          2HB       PRO  24  -9.745   3.874  -9.825
  161   1HG   PRO  24          1HG       PRO  24 -10.650   2.043  -7.688
  162   2HG   PRO  24          2HG       PRO  24 -10.166   1.661  -9.329
  163   1HD   PRO  24          1HD       PRO  24  -8.613   1.278  -6.948
  164   2HD   PRO  24          2HD       PRO  24  -8.087   1.005  -8.597
  165    H    HIS  25           H        HIS  25 -10.174   3.602  -6.226
  166    HA   HIS  25           HA       HIS  25  -9.802   6.108  -4.851
  167   1HB   HIS  25          1HB       HIS  25 -11.740   5.567  -3.641
  168   2HB   HIS  25          2HB       HIS  25 -12.043   5.018  -5.278
  169    HD1  HIS  25           HD1      HIS  25 -13.453   3.883  -2.642
  170    HD2  HIS  25           HD2      HIS  25 -10.294   2.081  -4.733
  171    HE1  HIS  25           HE1      HIS  25 -13.546   1.397  -2.075
  172    HE2  HIS  25           HE2      HIS  25 -11.616   0.334  -3.432
  173    H    VAL  26           H        VAL  26  -7.562   5.843  -4.202
  174    HA   VAL  26           HA       VAL  26  -7.059   3.668  -2.334
  175    HB   VAL  26           HB       VAL  26  -4.728   4.518  -2.456
  176   1HG1  VAL  26          1HG1      VAL  26  -6.086   3.833  -5.083
  177   2HG1  VAL  26          2HG1      VAL  26  -4.328   3.786  -4.805
  178   3HG1  VAL  26          3HG1      VAL  26  -5.402   2.695  -3.897
  179   1HG2  VAL  26          1HG2      VAL  26  -5.982   6.804  -3.586
  180   2HG2  VAL  26          2HG2      VAL  26  -4.250   6.533  -3.278
  181   3HG2  VAL  26          3HG2      VAL  26  -4.955   6.085  -4.850
  182    H    THR  27           H        THR  27  -6.741   3.955  -0.134
  183    HA   THR  27           HA       THR  27  -6.542   6.640   0.922
  184    HB   THR  27           HB       THR  27  -8.641   6.669   2.023
  185    HG1  THR  27           HG1      THR  27  -9.768   4.581   2.299
  186   1HG2  THR  27          1HG2      THR  27  -9.139   5.006  -0.503
  187   2HG2  THR  27          2HG2      THR  27 -10.403   5.841   0.431
  188   3HG2  THR  27          3HG2      THR  27  -9.149   6.784  -0.410
  189    HA   PRO  28           HA       PRO  28  -4.459   4.607   4.076
  190   1HB   PRO  28          1HB       PRO  28  -5.059   6.016   6.340
  191   2HB   PRO  28          2HB       PRO  28  -3.901   6.569   5.145
  192   1HG   PRO  28          1HG       PRO  28  -6.655   7.525   5.639
  193   2HG   PRO  28          2HG       PRO  28  -5.356   8.318   4.769
  194   1HD   PRO  28          1HD       PRO  28  -7.620   6.978   3.625
  195   2HD   PRO  28          2HD       PRO  28  -6.263   7.669   2.758
  196    H    LYS  29           H        LYS  29  -6.823   3.283   3.342
  197    HA   LYS  29           HA       LYS  29  -6.988   1.478   5.437
  198   1HB   LYS  29          1HB       LYS  29  -8.229   3.634   6.351
  199   2HB   LYS  29          2HB       LYS  29  -9.556   3.022   5.385
  200   1HG   LYS  29          1HG       LYS  29  -8.053   1.191   7.291
  201   2HG   LYS  29          2HG       LYS  29  -9.341   2.226   7.876
  202   1HD   LYS  29          1HD       LYS  29 -10.703   1.185   5.830
  203   2HD   LYS  29          2HD       LYS  29  -9.505  -0.090   5.935
  204   1HE   LYS  29          1HE       LYS  29 -11.199  -0.871   7.381
  205   2HE   LYS  29          2HE       LYS  29 -10.068  -0.132   8.497
  206   1HZ   LYS  29          1HZ       LYS  29 -11.554   1.942   7.961
  207   2HZ   LYS  29          2HZ       LYS  29 -12.676   0.790   7.674
  208   3HZ   LYS  29          3HZ       LYS  29 -11.953   0.879   9.136
  209    H    GLU  30           H        GLU  30  -8.621   3.121   2.693
  210    HA   GLU  30           HA       GLU  30 -10.009   0.746   1.981
  211   1HB   GLU  30          1HB       GLU  30 -10.879   3.056   1.531
  212   2HB   GLU  30          2HB       GLU  30  -9.573   3.314   0.393
  213   1HG   GLU  30          1HG       GLU  30 -10.797   2.323  -1.234
  214   2HG   GLU  30          2HG       GLU  30 -10.781   0.822  -0.329
  215    H    CYS  31           H        CYS  31  -7.037   2.487   0.957
  216    HA   CYS  31           HA       CYS  31  -6.576   0.849  -1.292
  217   1HB   CYS  31          1HB       CYS  31  -5.483   2.841  -1.481
  218   2HB   CYS  31          2HB       CYS  31  -5.064   2.917   0.219
  219    H    ASN  32           H        ASN  32  -5.815   0.742   2.198
  220    HA   ASN  32           HA       ASN  32  -4.016  -1.453   1.832
  221   1HB   ASN  32          1HB       ASN  32  -3.358  -0.992   3.997
  222   2HB   ASN  32          2HB       ASN  32  -4.228   0.509   3.751
  223   2HD2  ASN  32          2HD2      ASN  32  -3.722  -1.522   6.027
  224   1HD2  ASN  32          1HD2      ASN  32  -5.266  -1.709   6.788
  225    H    ASN  33           H        ASN  33  -7.346  -1.041   1.761
  226    HA   ASN  33           HA       ASN  33  -7.911  -3.458   3.253
  227   1HB   ASN  33          1HB       ASN  33  -9.464  -1.690   3.771
  228   2HB   ASN  33          2HB       ASN  33  -9.624  -1.222   2.090
  229   2HD2  ASN  33          2HD2      ASN  33 -11.777  -1.438   1.890
  230   1HD2  ASN  33          1HD2      ASN  33 -12.646  -2.933   1.994
  231    H    ARG  34           H        ARG  34  -8.150  -1.898   0.002
  232    HA   ARG  34           HA       ARG  34  -9.559  -3.835  -1.291
  233   1HB   ARG  34          1HB       ARG  34  -8.408  -1.463  -2.015
  234   2HB   ARG  34          2HB       ARG  34  -7.281  -2.562  -2.785
  235   1HG   ARG  34          1HG       ARG  34  -9.210  -1.875  -4.271
  236   2HG   ARG  34          2HG       ARG  34  -9.047  -3.610  -4.083
  237   1HD   ARG  34          1HD       ARG  34 -11.008  -3.809  -2.861
  238   2HD   ARG  34          2HD       ARG  34 -10.798  -2.263  -2.062
  239    HE   ARG  34           HE       ARG  34 -11.291  -1.862  -4.880
  240   1HH1  ARG  34          1HH1      ARG  34 -12.919  -2.717  -1.880
  241   2HH1  ARG  34          2HH1      ARG  34 -14.463  -2.129  -2.401
  242   1HH2  ARG  34          1HH2      ARG  34 -13.327  -1.085  -5.568
  243   2HH2  ARG  34          2HH2      ARG  34 -14.696  -1.195  -4.513
  244    H    GLY  35           H        GLY  35  -6.236  -3.831  -0.121
  245   1HA   GLY  35          1HA       GLY  35  -5.759  -6.407  -1.501
  246   2HA   GLY  35          2HA       GLY  35  -5.318  -6.090   0.165
  247    H    CYS  36           H        CYS  36  -3.795  -4.151   0.548
  248    HA   CYS  36           HA       CYS  36  -1.441  -4.539  -0.727
  249   1HB   CYS  36          1HB       CYS  36  -3.144  -3.189  -2.507
  250   2HB   CYS  36          2HB       CYS  36  -2.056  -1.961  -1.891
  251    H    CYS  37           H        CYS  37  -0.524  -1.722  -0.777
  252    HA   CYS  37           HA       CYS  37  -1.066  -1.023   2.018
  253   1HB   CYS  37          1HB       CYS  37   1.499  -1.323   0.548
  254   2HB   CYS  37          2HB       CYS  37   1.378   0.031   1.653
  255    H    PHE  38           H        PHE  38  -1.041   1.320   2.460
  256    HA   PHE  38           HA       PHE  38  -1.461   2.887   0.012
  257   1HB   PHE  38          1HB       PHE  38  -3.526   2.560   1.344
  258   2HB   PHE  38          2HB       PHE  38  -2.681   2.938   2.831
  259    HD1  PHE  38           HD1      PHE  38  -4.000   4.378  -0.299
  260    HD2  PHE  38           HD2      PHE  38  -2.394   5.192   3.544
  261    HE1  PHE  38           HE1      PHE  38  -4.679   6.784  -0.524
  262    HE2  PHE  38           HE2      PHE  38  -3.074   7.598   3.319
  263    HZ   PHE  38           HZ       PHE  38  -4.208   8.365   1.287
  264    H    ASP  39           H        ASP  39  -1.244   5.387   0.581
  265    HA   ASP  39           HA       ASP  39   0.408   6.144   2.651
  266   1HB   ASP  39          1HB       ASP  39   2.171   4.856   1.517
  267   2HB   ASP  39          2HB       ASP  39   1.820   5.645  -0.008
  268    H    SER  40           H        SER  40   0.646   8.488   2.596
  269    HA   SER  40           HA       SER  40  -0.237   9.752   0.137
  270   1HB   SER  40          1HB       SER  40  -1.739  11.261   1.382
  271   2HB   SER  40          2HB       SER  40  -2.227   9.591   1.592
  272    HG   SER  40           HG       SER  40  -0.502  10.930   3.484
  273    H    ARG  41           H        ARG  41   2.301   9.298   1.951
  274    HA   ARG  41           HA       ARG  41   2.973  11.688   3.110
  275   1HB   ARG  41          1HB       ARG  41   4.161   9.243   2.914
  276   2HB   ARG  41          2HB       ARG  41   5.141  10.105   1.745
  277   1HG   ARG  41          1HG       ARG  41   5.170  11.949   3.743
  278   2HG   ARG  41          2HG       ARG  41   4.924  10.511   4.714
  279   1HD   ARG  41          1HD       ARG  41   6.937   9.772   2.862
  280   2HD   ARG  41          2HD       ARG  41   7.348  11.412   3.321
  281    HE   ARG  41           HE       ARG  41   6.648   9.855   5.658
  282   1HH1  ARG  41          1HH1      ARG  41   9.242  10.384   3.340
  283   2HH1  ARG  41          2HH1      ARG  41  10.491   9.888   4.432
  284   1HH2  ARG  41          1HH2      ARG  41   8.296   9.202   7.099
  285   2HH2  ARG  41          2HH2      ARG  41   9.950   9.211   6.585
  286    H    ILE  42           H        ILE  42   3.275  10.511  -0.275
  287    HA   ILE  42           HA       ILE  42   3.568  13.228  -1.170
  288    HB   ILE  42           HB       ILE  42   5.604  12.149  -2.610
  289   1HG1  ILE  42          1HG1      ILE  42   7.169  11.113  -0.994
  290   2HG1  ILE  42          2HG1      ILE  42   5.897  11.075   0.211
  291   1HG2  ILE  42          1HG2      ILE  42   5.258  14.110  -0.492
  292   2HG2  ILE  42          2HG2      ILE  42   6.884  13.386  -0.472
  293   3HG2  ILE  42          3HG2      ILE  42   6.274  14.165  -1.952
  294   1HD1  ILE  42          1HD1      ILE  42   5.307   9.862  -2.483
  295   2HD1  ILE  42          2HD1      ILE  42   6.368   8.969  -1.367
  296   3HD1  ILE  42          3HD1      ILE  42   4.710   9.389  -0.874
  297    HA   PRO  43           HA       PRO  43   1.184  11.331  -4.250
  298   1HB   PRO  43          1HB       PRO  43   0.871  13.473  -5.918
  299   2HB   PRO  43          2HB       PRO  43  -0.116  13.216  -4.493
  300   1HG   PRO  43          1HG       PRO  43   2.088  15.144  -4.898
  301   2HG   PRO  43          2HG       PRO  43   0.833  15.153  -3.675
  302   1HD   PRO  43          1HD       PRO  43   3.571  14.372  -3.320
  303   2HD   PRO  43          2HD       PRO  43   2.289  14.271  -2.129
  304    H    GLY  44           H        GLY  44   4.052  13.120  -5.132
  305   1HA   GLY  44          1HA       GLY  44   5.733  12.470  -6.507
  306   2HA   GLY  44          2HA       GLY  44   4.455  12.487  -7.707
  307    H    VAL  45           H        VAL  45   4.676  10.229  -4.910
  308    HA   VAL  45           HA       VAL  45   5.432   8.092  -6.752
  309    HB   VAL  45           HB       VAL  45   6.303   6.985  -4.956
  310   1HG1  VAL  45          1HG1      VAL  45   6.630   9.899  -4.790
  311   2HG1  VAL  45          2HG1      VAL  45   6.986   9.057  -3.263
  312   3HG1  VAL  45          3HG1      VAL  45   7.849   8.602  -4.751
  313   1HG2  VAL  45          1HG2      VAL  45   4.213   8.396  -3.296
  314   2HG2  VAL  45          2HG2      VAL  45   4.465   6.651  -3.543
  315   3HG2  VAL  45          3HG2      VAL  45   5.603   7.581  -2.539
  316    HA   PRO  46           HA       PRO  46   1.545   6.211  -6.519
  317   1HB   PRO  46          1HB       PRO  46   2.041   3.543  -6.195
  318   2HB   PRO  46          2HB       PRO  46   2.204   4.368  -7.732
  319   1HG   PRO  46          1HG       PRO  46   4.324   3.443  -5.891
  320   2HG   PRO  46          2HG       PRO  46   4.452   3.872  -7.585
  321   1HD   PRO  46          1HD       PRO  46   5.271   5.466  -5.346
  322   2HD   PRO  46          2HD       PRO  46   5.291   5.940  -7.033
  323    H    TRP  47           H        TRP  47   0.638   7.285  -4.749
  324    HA   TRP  47           HA       TRP  47   0.999   6.932  -2.176
  325   1HB   TRP  47          1HB       TRP  47  -1.484   7.232  -3.789
  326   2HB   TRP  47          2HB       TRP  47  -1.668   6.856  -2.088
  327    HD1  TRP  47           HD1      TRP  47   1.212   9.158  -3.217
  328    HE1  TRP  47           HE1      TRP  47   0.875  11.618  -2.323
  329    HE3  TRP  47           HE3      TRP  47  -3.476   8.415  -1.393
  330    HZ2  TRP  47           HZ2      TRP  47  -1.266  12.948  -0.984
  331    HZ3  TRP  47           HZ3      TRP  47  -4.620  10.346  -0.307
  332    HH2  TRP  47           HH2      TRP  47  -3.590  12.552  -0.088
  333    H    CYS  48           H        CYS  48  -1.046   4.672  -4.170
  334    HA   CYS  48           HA       CYS  48  -0.907   2.750  -2.007
  335   1HB   CYS  48          1HB       CYS  48  -3.018   3.366  -3.365
  336   2HB   CYS  48          2HB       CYS  48  -2.337   2.358  -4.627
  337    H    PHE  49           H        PHE  49   0.904   1.458  -1.976
  338    HA   PHE  49           HA       PHE  49   1.829   0.440  -4.563
  339   1HB   PHE  49          1HB       PHE  49   4.166   0.621  -3.397
  340   2HB   PHE  49          2HB       PHE  49   3.446   2.130  -3.921
  341    HD1  PHE  49           HD1      PHE  49   3.604  -0.076  -0.915
  342    HD2  PHE  49           HD2      PHE  49   3.320   3.883  -2.417
  343    HE1  PHE  49           HE1      PHE  49   3.791   0.823   1.421
  344    HE2  PHE  49           HE2      PHE  49   3.507   4.782  -0.081
  345    HZ   PHE  49           HZ       PHE  49   3.741   3.242   1.810
  346    H    LYS  50           H        LYS  50   3.258  -1.561  -4.273
  347    HA   LYS  50           HA       LYS  50   1.860  -3.436  -2.735
  348   1HB   LYS  50          1HB       LYS  50   4.620  -3.692  -3.964
  349   2HB   LYS  50          2HB       LYS  50   3.561  -5.003  -3.488
  350   1HG   LYS  50          1HG       LYS  50   1.814  -3.987  -5.113
  351   2HG   LYS  50          2HG       LYS  50   3.111  -2.977  -5.718
  352   1HD   LYS  50          1HD       LYS  50   3.319  -4.778  -7.175
  353   2HD   LYS  50          2HD       LYS  50   4.419  -5.299  -5.914
  354   1HE   LYS  50          1HE       LYS  50   2.926  -6.907  -5.073
  355   2HE   LYS  50          2HE       LYS  50   1.508  -6.050  -5.641
  356   1HZ   LYS  50          1HZ       LYS  50   2.528  -6.579  -7.937
  357   2HZ   LYS  50          2HZ       LYS  50   3.312  -7.766  -7.135
  358   3HZ   LYS  50          3HZ       LYS  50   1.680  -7.726  -7.141
  359    HA   PRO  51           HA       PRO  51   3.879  -3.304   1.076
  360   1HB   PRO  51          1HB       PRO  51   3.946  -5.918   1.873
  361   2HB   PRO  51          2HB       PRO  51   2.510  -4.919   1.981
  362   1HG   PRO  51          1HG       PRO  51   3.132  -7.068   0.048
  363   2HG   PRO  51          2HG       PRO  51   1.577  -6.363   0.444
  364   1HD   PRO  51          1HD       PRO  51   3.151  -5.843  -1.897
  365   2HD   PRO  51          2HD       PRO  51   1.653  -5.054  -1.444
  366    H    LEU  52           H        LEU  52   5.874  -2.743   1.659
  367    HA   LEU  52           HA       LEU  52   8.051  -3.205   0.201
  368   1HB   LEU  52          1HB       LEU  52   8.138  -1.704   2.006
  369   2HB   LEU  52          2HB       LEU  52   7.728  -2.940   3.179
  370    HG   LEU  52           HG       LEU  52  10.326  -2.881   1.620
  371   1HD1  LEU  52          1HD1      LEU  52   9.604  -1.053   3.533
  372   2HD1  LEU  52          2HD1      LEU  52  10.440  -2.297   4.494
  373   3HD1  LEU  52          3HD1      LEU  52  11.272  -1.523   3.124
  374   1HD2  LEU  52          1HD2      LEU  52   9.082  -4.827   3.391
  375   2HD2  LEU  52          2HD2      LEU  52  10.507  -4.981   2.336
  376   3HD2  LEU  52          3HD2      LEU  52  10.682  -4.311   3.976
  377    H    GLN  53           H        GLN  53   9.337  -4.876  -0.412
  378    HA   GLN  53           HA       GLN  53   8.544  -7.467   0.252
  379   1HB   GLN  53          1HB       GLN  53  10.858  -7.990  -0.912
  380   2HB   GLN  53          2HB       GLN  53   9.532  -7.335  -1.852
  381   1HG   GLN  53          1HG       GLN  53  11.726  -6.158  -2.261
  382   2HG   GLN  53          2HG       GLN  53  10.447  -5.082  -1.734
  383   2HE2  GLN  53          2HE2      GLN  53  10.789  -3.808  -0.070
  384   1HE2  GLN  53          1HE2      GLN  53  12.075  -3.926   1.084
  385    H    GLU  54           H        GLU  54   8.693  -6.819   2.728
  386    HA   GLU  54           HA       GLU  54  11.028  -6.502   4.030
  387   1HB   GLU  54          1HB       GLU  54   9.899  -7.437   6.000
  388   2HB   GLU  54          2HB       GLU  54   8.783  -6.442   5.086
  389   1HG   GLU  54          1HG       GLU  54   8.192  -8.755   3.881
  390   2HG   GLU  54          2HG       GLU  54   8.867  -9.454   5.339
  391    H    ALA  55           H        ALA  55  12.866  -7.627   3.386
  392    HA   ALA  55           HA       ALA  55  12.931 -10.419   4.115
  393   1HB   ALA  55          1HB       ALA  55  12.141 -10.465   1.764
  394   2HB   ALA  55          2HB       ALA  55  13.561  -9.508   1.277
  395   3HB   ALA  55          3HB       ALA  55  13.775 -11.152   1.925
  396    H    GLU  56           H        GLU  56  14.855  -8.070   2.108
  397    HA   GLU  56           HA       GLU  56  17.250  -8.867   3.286
  398   1HB   GLU  56          1HB       GLU  56  16.800  -7.649   1.025
  399   2HB   GLU  56          2HB       GLU  56  16.794  -6.170   1.965
  400   1HG   GLU  56          1HG       GLU  56  19.083  -6.941   2.915
  401   2HG   GLU  56          2HG       GLU  56  19.081  -8.160   1.656
  402    H    CYS  57           H        CYS  57  16.722  -8.787   5.610
  403    HA   CYS  57           HA       CYS  57  16.890  -7.879   7.600
  404   1HB   CYS  57          1HB       CYS  57  18.075  -5.545   6.092
  405   2HB   CYS  57          2HB       CYS  57  17.963  -5.603   7.840
  406    H    THR  58           H        THR  58  15.794  -6.225   9.054
  407    HA   THR  58           HA       THR  58  13.247  -5.502   7.891
  408    HB   THR  58           HB       THR  58  14.454  -5.480  10.701
  409    HG1  THR  58           HG1      THR  58  13.835  -7.558   9.978
  410   1HG2  THR  58          1HG2      THR  58  11.887  -4.337   9.636
  411   2HG2  THR  58          2HG2      THR  58  11.752  -5.371  11.079
  412   3HG2  THR  58          3HG2      THR  58  12.779  -3.918  11.118
  413    H    PHE  59           H        PHE  59  15.790  -3.734   9.789
  414    HA   PHE  59           HA       PHE  59  14.691  -1.227   9.228
  415   1HB   PHE  59          1HB       PHE  59  16.292  -1.746  11.077
  416   2HB   PHE  59          2HB       PHE  59  17.510  -2.246   9.920
  417    HD1  PHE  59           HD1      PHE  59  15.372   0.776  10.475
  418    HD2  PHE  59           HD2      PHE  59  19.238  -0.762   9.641
  419    HE1  PHE  59           HE1      PHE  59  16.292   3.111  10.435
  420    HE2  PHE  59           HE2      PHE  59  20.158   1.572   9.601
  421    HZ   PHE  59           HZ       PHE  59  18.675   3.481   9.998

  No H/Q in entry =         421
  Start of MODEL   42
    1    H    GLU   1           H        GLU   1   5.241 -13.919  20.210
    2    HA   GLU   1           HA       GLU   1   7.483 -12.785  20.352
    3   1HB   GLU   1          1HB       GLU   1   6.747 -15.387  19.151
    4   2HB   GLU   1          2HB       GLU   1   8.346 -14.842  18.687
    5   1HG   GLU   1          1HG       GLU   1   9.149 -14.843  20.903
    6   2HG   GLU   1          2HG       GLU   1   7.552 -14.646  21.596
    7    H    GLU   2           H        GLU   2   7.119 -10.715  19.095
    8    HA   GLU   2           HA       GLU   2   7.644  -9.346  17.495
    9   1HB   GLU   2          1HB       GLU   2   9.625 -11.551  17.089
   10   2HB   GLU   2          2HB       GLU   2   9.458 -10.421  15.760
   11   1HG   GLU   2          1HG       GLU   2   9.529  -8.960  18.283
   12   2HG   GLU   2          2HG       GLU   2  10.904 -10.042  18.191
   13    H    TYR   3           H        TYR   3   6.036  -8.839  16.075
   14    HA   TYR   3           HA       TYR   3   5.556 -10.735  13.886
   15   1HB   TYR   3          1HB       TYR   3   3.813 -10.853  15.748
   16   2HB   TYR   3          2HB       TYR   3   3.567  -9.124  15.606
   17    HD1  TYR   3           HD1      TYR   3   3.094 -12.374  13.886
   18    HD2  TYR   3           HD2      TYR   3   2.158  -8.200  13.896
   19    HE1  TYR   3           HE1      TYR   3   1.288 -12.768  12.140
   20    HE2  TYR   3           HE2      TYR   3   0.355  -8.607  12.151
   21    HH   TYR   3           HH       TYR   3  -0.290 -11.895  10.959
   22    H    VAL   4           H        VAL   4   4.780  -9.763  11.907
   23    HA   VAL   4           HA       VAL   4   4.736  -6.860  11.847
   24    HB   VAL   4           HB       VAL   4   6.636  -8.521  10.179
   25   1HG1  VAL   4          1HG1      VAL   4   5.548  -6.507   9.066
   26   2HG1  VAL   4          2HG1      VAL   4   6.408  -5.502  10.257
   27   3HG1  VAL   4          3HG1      VAL   4   7.327  -6.513   9.116
   28   1HG2  VAL   4          1HG2      VAL   4   7.063  -6.688  12.546
   29   2HG2  VAL   4          2HG2      VAL   4   7.623  -8.362  12.313
   30   3HG2  VAL   4          3HG2      VAL   4   8.359  -7.039  11.377
   31    H    GLY   5           H        GLY   5   2.511  -7.023  11.358
   32   1HA   GLY   5          1HA       GLY   5   1.086  -8.649   9.848
   33   2HA   GLY   5          2HA       GLY   5   1.981  -7.810   8.596
   34    H    LEU   6           H        LEU   6   2.059  -5.370  10.610
   35    HA   LEU   6           HA       LEU   6  -0.710  -4.518  10.137
   36   1HB   LEU   6          1HB       LEU   6  -0.587  -3.164  12.024
   37   2HB   LEU   6          2HB       LEU   6   0.127  -4.691  12.503
   38    HG   LEU   6           HG       LEU   6   2.023  -2.624  11.525
   39   1HD1  LEU   6          1HD1      LEU   6   0.055  -1.928  13.471
   40   2HD1  LEU   6          2HD1      LEU   6   1.630  -2.071  14.287
   41   3HD1  LEU   6          3HD1      LEU   6   1.447  -0.980  12.893
   42   1HD2  LEU   6          1HD2      LEU   6   2.027  -5.007  13.183
   43   2HD2  LEU   6          2HD2      LEU   6   3.375  -4.168  12.379
   44   3HD2  LEU   6          3HD2      LEU   6   2.836  -3.642  13.991
   45    H    SER   7           H        SER   7  -1.116  -2.645   8.972
   46    HA   SER   7           HA       SER   7   0.643  -1.938   7.042
   47   1HB   SER   7          1HB       SER   7  -0.802   0.012   6.648
   48   2HB   SER   7          2HB       SER   7  -1.776  -1.395   7.026
   49    HG   SER   7           HG       SER   7  -1.680  -0.536   9.342
   50    H    ALA   8           H        ALA   8   2.730  -1.233   7.405
   51    HA   ALA   8           HA       ALA   8   3.354   1.276   8.172
   52   1HB   ALA   8          1HB       ALA   8   4.342   0.569  10.568
   53   2HB   ALA   8          2HB       ALA   8   2.938  -0.523  10.529
   54   3HB   ALA   8          3HB       ALA   8   2.702   1.235  10.378
   55    H    ASN   9           H        ASN   9   4.658  -1.859   9.473
   56    HA   ASN   9           HA       ASN   9   7.240  -1.281   8.700
   57   1HB   ASN   9          1HB       ASN   9   5.719  -3.723   9.574
   58   2HB   ASN   9          2HB       ASN   9   7.239  -4.029   8.757
   59   2HD2  ASN   9          2HD2      ASN   9   5.672  -2.924  11.595
   60   1HD2  ASN   9          1HD2      ASN   9   7.065  -2.596  12.572
   61    H    GLN  10           H        GLN  10   4.688  -3.424   7.227
   62    HA   GLN  10           HA       GLN  10   6.260  -4.130   5.028
   63   1HB   GLN  10          1HB       GLN  10   4.122  -5.007   4.093
   64   2HB   GLN  10          2HB       GLN  10   4.375  -5.509   5.753
   65   1HG   GLN  10          1HG       GLN  10   2.988  -3.316   6.335
   66   2HG   GLN  10          2HG       GLN  10   2.440  -3.442   4.675
   67   2HE2  GLN  10          2HE2      GLN  10   2.777  -5.225   7.711
   68   1HE2  GLN  10          1HE2      GLN  10   1.414  -6.275   7.515
   69    H    CYS  11           H        CYS  11   4.266  -1.331   5.807
   70    HA   CYS  11           HA       CYS  11   4.454  -0.457   3.021
   71   1HB   CYS  11          1HB       CYS  11   2.790   1.030   4.988
   72   2HB   CYS  11          2HB       CYS  11   2.548   0.770   3.272
   73    H    ALA  12           H        ALA  12   6.806  -0.489   4.630
   74    HA   ALA  12           HA       ALA  12   7.101   2.351   5.334
   75   1HB   ALA  12          1HB       ALA  12   9.234   0.646   6.299
   76   2HB   ALA  12          2HB       ALA  12   7.657  -0.017   6.792
   77   3HB   ALA  12          3HB       ALA  12   8.095   1.653   7.224
   78    H    VAL  13           H        VAL  13   7.136   2.067   2.693
   79    HA   VAL  13           HA       VAL  13   9.862   1.452   1.872
   80    HB   VAL  13           HB       VAL  13   7.915   2.410  -0.112
   81   1HG1  VAL  13          1HG1      VAL  13  10.178   0.601   0.098
   82   2HG1  VAL  13          2HG1      VAL  13   8.808  -0.177  -0.730
   83   3HG1  VAL  13          3HG1      VAL  13   9.459   1.363  -1.342
   84   1HG2  VAL  13          1HG2      VAL  13   7.324   0.010   1.623
   85   2HG2  VAL  13          2HG2      VAL  13   6.237   1.324   1.113
   86   3HG2  VAL  13          3HG2      VAL  13   6.764   0.097  -0.065
   87    HA   PRO  14           HA       PRO  14  10.954   5.628   1.688
   88   1HB   PRO  14          1HB       PRO  14  12.978   5.577  -0.147
   89   2HB   PRO  14          2HB       PRO  14  13.192   5.113   1.529
   90   1HG   PRO  14          1HG       PRO  14  13.012   3.387  -0.864
   91   2HG   PRO  14          2HG       PRO  14  13.639   2.997   0.725
   92   1HD   PRO  14          1HD       PRO  14  11.098   2.220  -0.356
   93   2HD   PRO  14          2HD       PRO  14  11.677   1.931   1.273
   94    H    ALA  15           H        ALA  15   9.268   4.158  -0.676
   95    HA   ALA  15           HA       ALA  15   7.787   5.163  -2.055
   96   1HB   ALA  15          1HB       ALA  15   9.335   7.729  -2.229
   97   2HB   ALA  15          2HB       ALA  15   7.576   7.458  -2.218
   98   3HB   ALA  15          3HB       ALA  15   8.502   7.351  -0.702
   99    H    LYS  16           H        LYS  16  11.300   5.292  -2.325
  100    HA   LYS  16           HA       LYS  16  11.169   5.437  -5.218
  101   1HB   LYS  16          1HB       LYS  16  13.600   5.533  -5.103
  102   2HB   LYS  16          2HB       LYS  16  12.880   6.728  -4.043
  103   1HG   LYS  16          1HG       LYS  16  14.322   5.858  -2.486
  104   2HG   LYS  16          2HG       LYS  16  13.078   4.639  -2.290
  105   1HD   LYS  16          1HD       LYS  16  15.064   3.375  -2.618
  106   2HD   LYS  16          2HD       LYS  16  14.274   3.327  -4.182
  107   1HE   LYS  16          1HE       LYS  16  15.877   4.650  -5.195
  108   2HE   LYS  16          2HE       LYS  16  16.114   5.646  -3.773
  109   1HZ   LYS  16          1HZ       LYS  16  17.006   2.863  -3.807
  110   2HZ   LYS  16          2HZ       LYS  16  17.941   4.051  -4.425
  111   3HZ   LYS  16          3HZ       LYS  16  17.516   4.082  -2.848
  112    H    ASP  17           H        ASP  17  10.302   3.124  -3.155
  113    HA   ASP  17           HA       ASP  17  11.448   1.069  -4.864
  114   1HB   ASP  17          1HB       ASP  17  12.645   0.864  -2.771
  115   2HB   ASP  17          2HB       ASP  17  11.182   1.083  -1.831
  116    H    ARG  18           H        ARG  18   8.818   2.664  -4.640
  117    HA   ARG  18           HA       ARG  18   6.937   0.856  -3.570
  118   1HB   ARG  18          1HB       ARG  18   6.369   3.116  -5.543
  119   2HB   ARG  18          2HB       ARG  18   5.269   2.445  -4.355
  120   1HG   ARG  18          1HG       ARG  18   7.883   3.661  -3.424
  121   2HG   ARG  18          2HG       ARG  18   6.557   4.720  -3.862
  122   1HD   ARG  18          1HD       ARG  18   5.277   2.830  -2.262
  123   2HD   ARG  18          2HD       ARG  18   6.850   2.947  -1.498
  124    HE   ARG  18           HE       ARG  18   5.541   5.521  -2.149
  125   1HH1  ARG  18          1HH1      ARG  18   6.234   3.081   0.290
  126   2HH1  ARG  18          2HH1      ARG  18   5.900   4.136   1.623
  127   1HH2  ARG  18          1HH2      ARG  18   5.101   6.913  -0.391
  128   2HH2  ARG  18          2HH2      ARG  18   5.252   6.330   1.233
  129    H    VAL  19           H        VAL  19   5.521  -0.583  -4.696
  130    HA   VAL  19           HA       VAL  19   6.436  -1.237  -7.391
  131    HB   VAL  19           HB       VAL  19   4.550  -2.850  -5.693
  132   1HG1  VAL  19          1HG1      VAL  19   5.835  -3.175  -8.239
  133   2HG1  VAL  19          2HG1      VAL  19   6.444  -4.419  -7.120
  134   3HG1  VAL  19          3HG1      VAL  19   4.695  -4.262  -7.410
  135   1HG2  VAL  19          1HG2      VAL  19   7.479  -2.413  -5.291
  136   2HG2  VAL  19          2HG2      VAL  19   6.197  -2.758  -4.106
  137   3HG2  VAL  19          3HG2      VAL  19   6.853  -4.070  -5.115
  138    H    ASP  20           H        ASP  20   4.189   0.744  -5.930
  139    HA   ASP  20           HA       ASP  20   2.248   1.568  -6.470
  140   1HB   ASP  20          1HB       ASP  20   3.342   2.527  -8.358
  141   2HB   ASP  20          2HB       ASP  20   3.480   0.985  -9.178
  142    H    CYS  21           H        CYS  21   0.651   0.114  -5.673
  143    HA   CYS  21           HA       CYS  21   0.144  -2.371  -6.885
  144   1HB   CYS  21          1HB       CYS  21  -0.440  -1.267  -4.484
  145   2HB   CYS  21          2HB       CYS  21  -1.996  -1.106  -5.275
  146    H    GLY  22           H        GLY  22  -0.780   0.947  -7.533
  147   1HA   GLY  22          1HA       GLY  22  -2.068   0.294  -9.957
  148   2HA   GLY  22          2HA       GLY  22  -2.013   1.863  -9.177
  149    H    TYR  23           H        TYR  23  -3.721   2.545  -7.782
  150    HA   TYR  23           HA       TYR  23  -6.142   0.936  -8.098
  151   1HB   TYR  23          1HB       TYR  23  -4.647   1.865  -5.622
  152   2HB   TYR  23          2HB       TYR  23  -6.395   1.966  -5.554
  153    HD1  TYR  23           HD1      TYR  23  -7.633  -0.284  -6.391
  154    HD2  TYR  23           HD2      TYR  23  -3.652  -0.077  -4.838
  155    HE1  TYR  23           HE1      TYR  23  -7.742  -2.745  -5.762
  156    HE2  TYR  23           HE2      TYR  23  -3.775  -2.538  -4.214
  157    HH   TYR  23           HH       TYR  23  -5.047  -4.537  -5.023
  158    HA   PRO  24           HA       PRO  24  -7.846   4.834  -8.895
  159   1HB   PRO  24          1HB       PRO  24 -10.509   4.305  -8.579
  160   2HB   PRO  24          2HB       PRO  24  -9.618   3.904 -10.034
  161   1HG   PRO  24          1HG       PRO  24 -10.551   2.109  -7.878
  162   2HG   PRO  24          2HG       PRO  24 -10.051   1.701  -9.507
  163   1HD   PRO  24          1HD       PRO  24  -8.524   1.349  -7.104
  164   2HD   PRO  24          2HD       PRO  24  -7.983   1.049  -8.744
  165    H    HIS  25           H        HIS  25 -10.039   3.653  -6.405
  166    HA   HIS  25           HA       HIS  25  -9.659   6.188  -5.064
  167   1HB   HIS  25          1HB       HIS  25 -11.601   5.598  -3.778
  168   2HB   HIS  25          2HB       HIS  25 -11.929   5.321  -5.477
  169    HD1  HIS  25           HD1      HIS  25 -13.740   3.866  -3.602
  170    HD2  HIS  25           HD2      HIS  25 -10.061   2.261  -4.820
  171    HE1  HIS  25           HE1      HIS  25 -13.913   1.343  -3.261
  172    HE2  HIS  25           HE2      HIS  25 -11.643   0.406  -4.077
  173    H    VAL  26           H        VAL  26  -7.495   5.952  -4.277
  174    HA   VAL  26           HA       VAL  26  -7.080   3.745  -2.411
  175    HB   VAL  26           HB       VAL  26  -4.721   4.531  -2.481
  176   1HG1  VAL  26          1HG1      VAL  26  -5.491   2.708  -3.925
  177   2HG1  VAL  26          2HG1      VAL  26  -5.975   3.883  -5.171
  178   3HG1  VAL  26          3HG1      VAL  26  -4.257   3.691  -4.748
  179   1HG2  VAL  26          1HG2      VAL  26  -5.634   6.907  -3.327
  180   2HG2  VAL  26          2HG2      VAL  26  -3.990   6.326  -3.685
  181   3HG2  VAL  26          3HG2      VAL  26  -5.275   6.174  -4.908
  182    H    THR  27           H        THR  27  -6.969   4.038  -0.214
  183    HA   THR  27           HA       THR  27  -6.672   6.739   0.818
  184    HB   THR  27           HB       THR  27  -8.807   6.857   1.804
  185    HG1  THR  27           HG1      THR  27  -9.898   4.863   2.344
  186   1HG2  THR  27          1HG2      THR  27  -9.232   5.038  -0.625
  187   2HG2  THR  27          2HG2      THR  27 -10.540   5.884   0.236
  188   3HG2  THR  27          3HG2      THR  27  -9.290   6.816  -0.622
  189    HA   PRO  28           HA       PRO  28  -4.757   4.716   4.087
  190   1HB   PRO  28          1HB       PRO  28  -5.498   6.086   6.333
  191   2HB   PRO  28          2HB       PRO  28  -4.288   6.672   5.208
  192   1HG   PRO  28          1HG       PRO  28  -7.079   7.579   5.567
  193   2HG   PRO  28          2HG       PRO  28  -5.750   8.403   4.777
  194   1HD   PRO  28          1HD       PRO  28  -7.928   7.043   3.500
  195   2HD   PRO  28          2HD       PRO  28  -6.539   7.767   2.714
  196    H    LYS  29           H        LYS  29  -7.051   3.359   3.213
  197    HA   LYS  29           HA       LYS  29  -7.301   1.534   5.284
  198   1HB   LYS  29          1HB       LYS  29  -8.612   3.615   6.188
  199   2HB   LYS  29          2HB       LYS  29  -9.863   3.096   5.077
  200   1HG   LYS  29          1HG       LYS  29  -8.902   0.756   6.467
  201   2HG   LYS  29          2HG       LYS  29  -9.201   2.000   7.665
  202   1HD   LYS  29          1HD       LYS  29 -11.258   1.457   5.500
  203   2HD   LYS  29          2HD       LYS  29 -11.179   0.421   6.911
  204   1HE   LYS  29          1HE       LYS  29 -12.046   2.029   8.305
  205   2HE   LYS  29          2HE       LYS  29 -11.113   3.317   7.567
  206   1HZ   LYS  29          1HZ       LYS  29 -13.488   2.091   6.345
  207   2HZ   LYS  29          2HZ       LYS  29 -13.489   3.505   7.163
  208   3HZ   LYS  29          3HZ       LYS  29 -12.657   3.371   5.764
  209    H    GLU  30           H        GLU  30  -9.077   3.167   2.586
  210    HA   GLU  30           HA       GLU  30 -10.293   0.789   1.745
  211   1HB   GLU  30          1HB       GLU  30 -11.287   2.911   1.152
  212   2HB   GLU  30          2HB       GLU  30  -9.812   3.470   0.388
  213   1HG   GLU  30          1HG       GLU  30 -10.263   2.372  -1.568
  214   2HG   GLU  30          2HG       GLU  30 -10.771   0.912  -0.743
  215    H    CYS  31           H        CYS  31  -7.295   2.553   0.797
  216    HA   CYS  31           HA       CYS  31  -6.703   0.906  -1.389
  217   1HB   CYS  31          1HB       CYS  31  -5.556   2.869  -1.496
  218   2HB   CYS  31          2HB       CYS  31  -5.264   2.938   0.231
  219    H    ASN  32           H        ASN  32  -6.112   0.762   2.139
  220    HA   ASN  32           HA       ASN  32  -4.368  -1.488   1.834
  221   1HB   ASN  32          1HB       ASN  32  -3.667  -0.783   3.890
  222   2HB   ASN  32          2HB       ASN  32  -4.882   0.479   3.851
  223   2HD2  ASN  32          2HD2      ASN  32  -7.153  -0.268   4.362
  224   1HD2  ASN  32          1HD2      ASN  32  -7.357  -1.343   5.706
  225    H    ASN  33           H        ASN  33  -7.667  -0.986   1.608
  226    HA   ASN  33           HA       ASN  33  -8.388  -3.347   3.117
  227   1HB   ASN  33          1HB       ASN  33  -9.864  -1.414   3.425
  228   2HB   ASN  33          2HB       ASN  33 -10.026  -1.190   1.694
  229   2HD2  ASN  33          2HD2      ASN  33 -11.832  -1.897   4.090
  230   1HD2  ASN  33          1HD2      ASN  33 -12.826  -3.195   3.517
  231    H    ARG  34           H        ARG  34  -8.286  -1.910  -0.186
  232    HA   ARG  34           HA       ARG  34  -9.682  -3.883  -1.493
  233   1HB   ARG  34          1HB       ARG  34  -8.550  -1.520  -2.234
  234   2HB   ARG  34          2HB       ARG  34  -7.338  -2.604  -2.888
  235   1HG   ARG  34          1HG       ARG  34 -10.332  -2.747  -3.485
  236   2HG   ARG  34          2HG       ARG  34  -9.121  -2.073  -4.558
  237   1HD   ARG  34          1HD       ARG  34  -7.954  -4.452  -4.279
  238   2HD   ARG  34          2HD       ARG  34  -9.551  -4.969  -3.773
  239    HE   ARG  34           HE       ARG  34  -9.836  -3.453  -6.178
  240   1HH1  ARG  34          1HH1      ARG  34  -8.516  -6.527  -5.088
  241   2HH1  ARG  34          2HH1      ARG  34  -8.750  -7.314  -6.613
  242   1HH2  ARG  34          1HH2      ARG  34 -10.144  -4.490  -8.191
  243   2HH2  ARG  34          2HH2      ARG  34  -9.682  -6.147  -8.390
  244    H    GLY  35           H        GLY  35  -6.369  -3.752  -0.245
  245   1HA   GLY  35          1HA       GLY  35  -5.808  -6.372  -1.503
  246   2HA   GLY  35          2HA       GLY  35  -5.460  -6.016   0.178
  247    H    CYS  36           H        CYS  36  -3.970  -4.079   0.614
  248    HA   CYS  36           HA       CYS  36  -1.557  -4.447  -0.555
  249   1HB   CYS  36          1HB       CYS  36  -3.201  -3.094  -2.399
  250   2HB   CYS  36          2HB       CYS  36  -2.123  -1.877  -1.745
  251    H    CYS  37           H        CYS  37  -0.638  -1.644  -0.553
  252    HA   CYS  37           HA       CYS  37  -1.329  -0.934   2.206
  253   1HB   CYS  37          1HB       CYS  37   1.326  -1.151   0.853
  254   2HB   CYS  37          2HB       CYS  37   1.106   0.098   2.062
  255    H    PHE  38           H        PHE  38  -1.343   1.406   2.641
  256    HA   PHE  38           HA       PHE  38  -1.637   2.964   0.169
  257   1HB   PHE  38          1HB       PHE  38  -3.752   2.656   1.428
  258   2HB   PHE  38          2HB       PHE  38  -2.959   3.046   2.942
  259    HD1  PHE  38           HD1      PHE  38  -4.201   4.449  -0.229
  260    HD2  PHE  38           HD2      PHE  38  -2.644   5.316   3.622
  261    HE1  PHE  38           HE1      PHE  38  -4.861   6.855  -0.504
  262    HE2  PHE  38           HE2      PHE  38  -3.303   7.722   3.347
  263    HZ   PHE  38           HZ       PHE  38  -4.404   8.463   1.288
  264    H    ASP  39           H        ASP  39  -1.438   5.470   0.745
  265    HA   ASP  39           HA       ASP  39   0.143   6.232   2.865
  266   1HB   ASP  39          1HB       ASP  39   1.974   4.975   1.881
  267   2HB   ASP  39          2HB       ASP  39   1.639   5.613   0.284
  268    H    SER  40           H        SER  40   0.376   8.572   2.809
  269    HA   SER  40           HA       SER  40  -0.442   9.812   0.311
  270   1HB   SER  40          1HB       SER  40  -1.922  11.361   1.514
  271   2HB   SER  40          2HB       SER  40  -2.425   9.707   1.798
  272    HG   SER  40           HG       SER  40  -0.832  10.022   3.786
  273    H    ARG  41           H        ARG  41   2.096   9.339   2.113
  274    HA   ARG  41           HA       ARG  41   2.821  11.733   3.232
  275   1HB   ARG  41          1HB       ARG  41   3.959   9.267   3.077
  276   2HB   ARG  41          2HB       ARG  41   4.943  10.079   1.875
  277   1HG   ARG  41          1HG       ARG  41   4.774  11.887   4.072
  278   2HG   ARG  41          2HG       ARG  41   5.040  10.307   4.783
  279   1HD   ARG  41          1HD       ARG  41   7.012   9.954   3.291
  280   2HD   ARG  41          2HD       ARG  41   6.737  11.515   2.543
  281    HE   ARG  41           HE       ARG  41   6.908  11.934   5.355
  282   1HH1  ARG  41          1HH1      ARG  41   8.972  10.924   2.690
  283   2HH1  ARG  41          2HH1      ARG  41  10.426  11.511   3.425
  284   1HH2  ARG  41          1HH2      ARG  41   8.827  12.708   6.326
  285   2HH2  ARG  41          2HH2      ARG  41  10.343  12.532   5.508
  286    H    ILE  42           H        ILE  42   3.364  10.419  -0.104
  287    HA   ILE  42           HA       ILE  42   3.621  13.148  -1.057
  288    HB   ILE  42           HB       ILE  42   5.620  11.939  -2.472
  289   1HG1  ILE  42          1HG1      ILE  42   7.151  10.941  -0.799
  290   2HG1  ILE  42          2HG1      ILE  42   5.877  11.003   0.402
  291   1HG2  ILE  42          1HG2      ILE  42   5.342  14.227  -1.198
  292   2HG2  ILE  42          2HG2      ILE  42   6.320  13.405   0.041
  293   3HG2  ILE  42          3HG2      ILE  42   6.952  13.593  -1.612
  294   1HD1  ILE  42          1HD1      ILE  42   5.047   9.724  -2.146
  295   2HD1  ILE  42          2HD1      ILE  42   6.343   8.864  -1.280
  296   3HD1  ILE  42          3HD1      ILE  42   4.793   9.188  -0.468
  297    HA   PRO  43           HA       PRO  43   1.166  11.277  -4.099
  298   1HB   PRO  43          1HB       PRO  43   0.887  13.415  -5.777
  299   2HB   PRO  43          2HB       PRO  43  -0.097  13.186  -4.345
  300   1HG   PRO  43          1HG       PRO  43   2.143  15.067  -4.774
  301   2HG   PRO  43          2HG       PRO  43   0.896  15.107  -3.543
  302   1HD   PRO  43          1HD       PRO  43   3.619  14.274  -3.200
  303   2HD   PRO  43          2HD       PRO  43   2.343  14.206  -2.001
  304    H    GLY  44           H        GLY  44   4.057  13.013  -5.018
  305   1HA   GLY  44          1HA       GLY  44   5.720  12.317  -6.395
  306   2HA   GLY  44          2HA       GLY  44   4.436  12.357  -7.587
  307    H    VAL  45           H        VAL  45   4.737  10.111  -4.773
  308    HA   VAL  45           HA       VAL  45   5.395   7.952  -6.618
  309    HB   VAL  45           HB       VAL  45   6.292   6.856  -4.838
  310   1HG1  VAL  45          1HG1      VAL  45   6.990   9.489  -5.042
  311   2HG1  VAL  45          2HG1      VAL  45   6.575   9.374  -3.315
  312   3HG1  VAL  45          3HG1      VAL  45   7.815   8.300  -4.005
  313   1HG2  VAL  45          1HG2      VAL  45   4.187   8.223  -3.162
  314   2HG2  VAL  45          2HG2      VAL  45   4.463   6.485  -3.425
  315   3HG2  VAL  45          3HG2      VAL  45   5.588   7.421  -2.411
  316    HA   PRO  46           HA       PRO  46   1.487   6.121  -6.326
  317   1HB   PRO  46          1HB       PRO  46   1.943   3.453  -5.947
  318   2HB   PRO  46          2HB       PRO  46   2.114   4.243  -7.502
  319   1HG   PRO  46          1HG       PRO  46   4.226   3.325  -5.648
  320   2HG   PRO  46          2HG       PRO  46   4.354   3.716  -7.351
  321   1HD   PRO  46          1HD       PRO  46   5.205   5.343  -5.148
  322   2HD   PRO  46          2HD       PRO  46   5.226   5.782  -6.845
  323    H    TRP  47           H        TRP  47   0.542   7.206  -4.602
  324    HA   TRP  47           HA       TRP  47   0.920   6.922  -2.013
  325   1HB   TRP  47          1HB       TRP  47  -1.555   7.212  -3.637
  326   2HB   TRP  47          2HB       TRP  47  -1.751   6.861  -1.931
  327    HD1  TRP  47           HD1      TRP  47   1.177   9.107  -3.014
  328    HE1  TRP  47           HE1      TRP  47   0.845  11.589  -2.180
  329    HE3  TRP  47           HE3      TRP  47  -3.586   8.468  -1.354
  330    HZ2  TRP  47           HZ2      TRP  47  -1.324  12.975  -0.947
  331    HZ3  TRP  47           HZ3      TRP  47  -4.740  10.436  -0.348
  332    HH2  TRP  47           HH2      TRP  47  -3.685  12.630  -0.132
  333    H    CYS  48           H        CYS  48  -1.020   4.594  -4.023
  334    HA   CYS  48           HA       CYS  48  -0.964   2.735  -1.794
  335   1HB   CYS  48          1HB       CYS  48  -3.044   3.304  -3.208
  336   2HB   CYS  48          2HB       CYS  48  -2.326   2.289  -4.443
  337    H    PHE  49           H        PHE  49   0.862   1.468  -1.685
  338    HA   PHE  49           HA       PHE  49   1.856   0.389  -4.221
  339   1HB   PHE  49          1HB       PHE  49   4.160   0.610  -3.011
  340   2HB   PHE  49          2HB       PHE  49   3.441   2.109  -3.563
  341    HD1  PHE  49           HD1      PHE  49   3.619  -0.064  -0.539
  342    HD2  PHE  49           HD2      PHE  49   3.205   3.870  -2.074
  343    HE1  PHE  49           HE1      PHE  49   3.752   0.859   1.791
  344    HE2  PHE  49           HE2      PHE  49   3.338   4.793   0.256
  345    HZ   PHE  49           HZ       PHE  49   3.610   3.276   2.161
  346    H    LYS  50           H        LYS  50   3.237  -1.617  -3.878
  347    HA   LYS  50           HA       LYS  50   1.822  -3.401  -2.205
  348   1HB   LYS  50          1HB       LYS  50   4.328  -3.670  -3.882
  349   2HB   LYS  50          2HB       LYS  50   3.643  -5.002  -2.973
  350   1HG   LYS  50          1HG       LYS  50   1.419  -3.927  -4.313
  351   2HG   LYS  50          2HG       LYS  50   2.708  -3.778  -5.491
  352   1HD   LYS  50          1HD       LYS  50   3.067  -6.355  -4.370
  353   2HD   LYS  50          2HD       LYS  50   1.331  -6.190  -4.545
  354   1HE   LYS  50          1HE       LYS  50   2.332  -5.131  -6.953
  355   2HE   LYS  50          2HE       LYS  50   3.399  -6.483  -6.628
  356   1HZ   LYS  50          1HZ       LYS  50   0.516  -6.828  -6.361
  357   2HZ   LYS  50          2HZ       LYS  50   1.206  -6.885  -7.840
  358   3HZ   LYS  50          3HZ       LYS  50   1.659  -7.949  -6.687
  359    HA   PRO  51           HA       PRO  51   4.191  -3.286   1.401
  360   1HB   PRO  51          1HB       PRO  51   4.262  -5.886   2.238
  361   2HB   PRO  51          2HB       PRO  51   2.868  -4.847   2.457
  362   1HG   PRO  51          1HG       PRO  51   3.255  -7.043   0.517
  363   2HG   PRO  51          2HG       PRO  51   1.761  -6.290   1.038
  364   1HD   PRO  51          1HD       PRO  51   3.129  -5.853  -1.445
  365   2HD   PRO  51          2HD       PRO  51   1.699  -5.015  -0.874
  366    H    LEU  52           H        LEU  52   6.235  -2.649   1.581
  367    HA   LEU  52           HA       LEU  52   8.245  -3.255   0.001
  368   1HB   LEU  52          1HB       LEU  52   8.414  -1.694   1.823
  369   2HB   LEU  52          2HB       LEU  52   8.348  -2.985   3.005
  370    HG   LEU  52           HG       LEU  52  10.585  -2.559   1.003
  371   1HD1  LEU  52          1HD1      LEU  52  10.212  -1.706   3.855
  372   2HD1  LEU  52          2HD1      LEU  52  11.839  -2.103   3.253
  373   3HD1  LEU  52          3HD1      LEU  52  10.892  -0.813   2.474
  374   1HD2  LEU  52          1HD2      LEU  52   9.987  -4.721   2.965
  375   2HD2  LEU  52          2HD2      LEU  52  10.792  -4.793   1.379
  376   3HD2  LEU  52          3HD2      LEU  52  11.678  -4.192   2.801
  377    H    GLN  53           H        GLN  53   9.341  -5.003  -0.725
  378    HA   GLN  53           HA       GLN  53   8.623  -7.533   0.244
  379   1HB   GLN  53          1HB       GLN  53  10.727  -8.134  -1.305
  380   2HB   GLN  53          2HB       GLN  53   9.185  -7.662  -1.990
  381   1HG   GLN  53          1HG       GLN  53  11.258  -6.450  -2.918
  382   2HG   GLN  53          2HG       GLN  53   9.921  -5.429  -2.428
  383   2HE2  GLN  53          2HE2      GLN  53  10.490  -3.708  -1.362
  384   1HE2  GLN  53          1HE2      GLN  53  11.820  -3.534  -0.266
  385    H    GLU  54           H        GLU  54   9.330  -6.547   2.572
  386    HA   GLU  54           HA       GLU  54  11.792  -6.211   3.422
  387   1HB   GLU  54          1HB       GLU  54  11.059  -6.849   5.566
  388   2HB   GLU  54          2HB       GLU  54   9.560  -6.470   4.742
  389   1HG   GLU  54          1HG       GLU  54   9.035  -8.544   5.695
  390   2HG   GLU  54          2HG       GLU  54   9.554  -9.034   4.094
  391    H    ALA  55           H        ALA  55  13.731  -7.242   3.231
  392    HA   ALA  55           HA       ALA  55  13.891 -10.078   3.552
  393   1HB   ALA  55          1HB       ALA  55  13.322 -10.306   1.294
  394   2HB   ALA  55          2HB       ALA  55  14.129  -8.787   0.833
  395   3HB   ALA  55          3HB       ALA  55  15.099 -10.226   1.229
  396    H    GLU  56           H        GLU  56  16.098 -10.762   3.891
  397    HA   GLU  56           HA       GLU  56  17.638  -8.860   5.137
  398   1HB   GLU  56          1HB       GLU  56  18.207 -11.648   4.093
  399   2HB   GLU  56          2HB       GLU  56  19.486 -10.706   4.834
  400   1HG   GLU  56          1HG       GLU  56  17.312 -10.398   6.603
  401   2HG   GLU  56          2HG       GLU  56  17.204 -12.073   6.098
  402    H    CYS  57           H        CYS  57  18.347 -10.563   1.993
  403    HA   CYS  57           HA       CYS  57  19.007  -8.238   0.637
  404   1HB   CYS  57          1HB       CYS  57  21.205  -9.384   2.239
  405   2HB   CYS  57          2HB       CYS  57  21.596  -9.095   0.555
  406    H    THR  58           H        THR  58  18.368  -8.971  -1.359
  407    HA   THR  58           HA       THR  58  18.206 -11.687  -2.013
  408    HB   THR  58           HB       THR  58  17.787 -10.688  -4.335
  409    HG1  THR  58           HG1      THR  58  19.279  -8.874  -3.991
  410   1HG2  THR  58          1HG2      THR  58  15.935 -10.765  -2.579
  411   2HG2  THR  58          2HG2      THR  58  16.427  -9.129  -2.077
  412   3HG2  THR  58          3HG2      THR  58  15.791  -9.403  -3.717
  413    H    PHE  59           H        PHE  59  19.550 -13.151  -2.913
  414    HA   PHE  59           HA       PHE  59  21.539 -14.039  -3.360
  415   1HB   PHE  59          1HB       PHE  59  20.751 -11.990  -5.322
  416   2HB   PHE  59          2HB       PHE  59  22.499 -12.105  -5.275
  417    HD1  PHE  59           HD1      PHE  59  19.766 -14.648  -5.044
  418    HD2  PHE  59           HD2      PHE  59  23.267 -13.342  -7.055
  419    HE1  PHE  59           HE1      PHE  59  19.672 -16.674  -6.524
  420    HE2  PHE  59           HE2      PHE  59  23.173 -15.367  -8.534
  421    HZ   PHE  59           HZ       PHE  59  21.377 -17.009  -8.251

  No H/Q in entry =         421
  Start of MODEL   43
    1    H    GLU   1           H        GLU   1  10.164 -12.889  15.144
    2    HA   GLU   1           HA       GLU   1  10.107 -14.715  16.395
    3   1HB   GLU   1          1HB       GLU   1   8.729 -12.974  18.479
    4   2HB   GLU   1          2HB       GLU   1   8.968 -14.696  18.699
    5   1HG   GLU   1          1HG       GLU   1  11.495 -14.154  18.098
    6   2HG   GLU   1          2HG       GLU   1  11.057 -12.508  18.511
    7    H    GLU   2           H        GLU   2   7.131 -12.663  16.402
    8    HA   GLU   2           HA       GLU   2   5.777 -14.643  14.907
    9   1HB   GLU   2          1HB       GLU   2   5.227 -14.358  17.852
   10   2HB   GLU   2          2HB       GLU   2   3.853 -14.597  16.790
   11   1HG   GLU   2          1HG       GLU   2   5.337 -16.555  15.770
   12   2HG   GLU   2          2HG       GLU   2   6.201 -16.444  17.291
   13    H    TYR   3           H        TYR   3   6.211 -12.334  13.854
   14    HA   TYR   3           HA       TYR   3   3.734 -11.117  13.524
   15   1HB   TYR   3          1HB       TYR   3   4.973 -10.396  15.931
   16   2HB   TYR   3          2HB       TYR   3   5.617  -9.175  14.853
   17    HD1  TYR   3           HD1      TYR   3   3.017  -9.115  13.074
   18    HD2  TYR   3           HD2      TYR   3   3.733  -8.810  17.281
   19    HE1  TYR   3           HE1      TYR   3   0.885  -7.757  13.346
   20    HE2  TYR   3           HE2      TYR   3   1.599  -7.452  17.538
   21    HH   TYR   3           HH       TYR   3  -0.772  -7.402  15.398
   22    H    VAL   4           H        VAL   4   4.988  -8.360  13.199
   23    HA   VAL   4           HA       VAL   4   6.177  -7.205  11.726
   24    HB   VAL   4           HB       VAL   4   7.602  -9.755  10.963
   25   1HG1  VAL   4          1HG1      VAL   4   7.760  -7.276   9.828
   26   2HG1  VAL   4          2HG1      VAL   4   9.042  -7.176  11.059
   27   3HG1  VAL   4          3HG1      VAL   4   9.079  -8.471   9.838
   28   1HG2  VAL   4          1HG2      VAL   4   7.602  -9.410  13.441
   29   2HG2  VAL   4          2HG2      VAL   4   9.219  -9.329  12.702
   30   3HG2  VAL   4          3HG2      VAL   4   8.382  -7.832  13.178
   31    H    GLY   5           H        GLY   5   3.608  -8.024  11.124
   32   1HA   GLY   5          1HA       GLY   5   2.831  -9.446   9.074
   33   2HA   GLY   5          2HA       GLY   5   3.783  -8.258   8.207
   34    H    LEU   6           H        LEU   6   2.992  -6.323  10.618
   35    HA   LEU   6           HA       LEU   6   0.230  -5.846   9.784
   36   1HB   LEU   6          1HB       LEU   6  -0.149  -4.879  11.807
   37   2HB   LEU   6          2HB       LEU   6   1.032  -6.102  12.233
   38    HG   LEU   6           HG       LEU   6   1.884  -3.274  11.628
   39   1HD1  LEU   6          1HD1      LEU   6   0.123  -3.134  13.330
   40   2HD1  LEU   6          2HD1      LEU   6   0.998  -4.316  14.332
   41   3HD1  LEU   6          3HD1      LEU   6   1.723  -2.726  13.996
   42   1HD2  LEU   6          1HD2      LEU   6   3.117  -5.707  12.822
   43   2HD2  LEU   6          2HD2      LEU   6   3.818  -4.459  11.763
   44   3HD2  LEU   6          3HD2      LEU   6   3.586  -4.128  13.497
   45    H    SER   7           H        SER   7  -0.420  -3.541   9.398
   46    HA   SER   7           HA       SER   7   0.939  -2.468   7.351
   47   1HB   SER   7          1HB       SER   7  -0.329  -0.377   7.787
   48   2HB   SER   7          2HB       SER   7  -1.340  -1.797   7.962
   49    HG   SER   7           HG       SER   7  -0.504  -1.529  10.386
   50    H    ALA   8           H        ALA   8   1.875  -0.030   7.402
   51    HA   ALA   8           HA       ALA   8   3.339   1.463   8.214
   52   1HB   ALA   8          1HB       ALA   8   3.962   1.535  10.467
   53   2HB   ALA   8          2HB       ALA   8   2.411   0.664  10.536
   54   3HB   ALA   8          3HB       ALA   8   3.943  -0.237  10.635
   55    H    ASN   9           H        ASN   9   4.603  -1.684   9.517
   56    HA   ASN   9           HA       ASN   9   7.139  -1.272   8.566
   57   1HB   ASN   9          1HB       ASN   9   6.444  -2.999  10.278
   58   2HB   ASN   9          2HB       ASN   9   5.704  -3.946   9.003
   59   2HD2  ASN   9          2HD2      ASN   9   7.840  -4.669  10.798
   60   1HD2  ASN   9          1HD2      ASN   9   9.228  -5.077   9.844
   61    H    GLN  10           H        GLN  10   4.448  -3.363   7.260
   62    HA   GLN  10           HA       GLN  10   5.820  -4.129   4.979
   63   1HB   GLN  10          1HB       GLN  10   3.481  -4.705   4.128
   64   2HB   GLN  10          2HB       GLN  10   3.929  -5.424   5.662
   65   1HG   GLN  10          1HG       GLN  10   2.483  -4.056   6.895
   66   2HG   GLN  10          2HG       GLN  10   2.561  -2.741   5.740
   67   2HE2  GLN  10          2HE2      GLN  10   1.834  -6.215   5.440
   68   1HE2  GLN  10          1HE2      GLN  10   0.279  -6.051   4.694
   69    H    CYS  11           H        CYS  11   4.103  -1.176   5.836
   70    HA   CYS  11           HA       CYS  11   4.322  -0.306   3.047
   71   1HB   CYS  11          1HB       CYS  11   2.623   1.161   5.015
   72   2HB   CYS  11          2HB       CYS  11   2.464   1.025   3.275
   73    H    ALA  12           H        ALA  12   6.660  -0.386   4.565
   74    HA   ALA  12           HA       ALA  12   6.993   2.416   5.395
   75   1HB   ALA  12          1HB       ALA  12   9.087   0.649   6.329
   76   2HB   ALA  12          2HB       ALA  12   7.496  -0.003   6.789
   77   3HB   ALA  12          3HB       ALA  12   7.956   1.647   7.273
   78    H    VAL  13           H        VAL  13   7.016   1.964   2.689
   79    HA   VAL  13           HA       VAL  13   9.752   1.414   1.906
   80    HB   VAL  13           HB       VAL  13   7.784   2.390  -0.066
   81   1HG1  VAL  13          1HG1      VAL  13  10.046   0.517   0.122
   82   2HG1  VAL  13          2HG1      VAL  13   8.695  -0.079  -0.871
   83   3HG1  VAL  13          3HG1      VAL  13   9.463   1.481  -1.256
   84   1HG2  VAL  13          1HG2      VAL  13   7.260  -0.020   1.661
   85   2HG2  VAL  13          2HG2      VAL  13   6.129   1.226   1.079
   86   3HG2  VAL  13          3HG2      VAL  13   6.750  -0.008  -0.044
   87    HA   PRO  14           HA       PRO  14  10.873   5.585   1.753
   88   1HB   PRO  14          1HB       PRO  14  12.933   5.519  -0.042
   89   2HB   PRO  14          2HB       PRO  14  13.111   5.054   1.638
   90   1HG   PRO  14          1HG       PRO  14  12.966   3.327  -0.756
   91   2HG   PRO  14          2HG       PRO  14  13.559   2.935   0.845
   92   1HD   PRO  14          1HD       PRO  14  11.035   2.174  -0.285
   93   2HD   PRO  14          2HD       PRO  14  11.579   1.882   1.355
   94    H    ALA  15           H        ALA  15   9.127   4.176  -0.553
   95    HA   ALA  15           HA       ALA  15   7.706   5.185  -1.977
   96   1HB   ALA  15          1HB       ALA  15   8.658   7.397  -0.653
   97   2HB   ALA  15          2HB       ALA  15   7.464   7.443  -1.972
   98   3HB   ALA  15          3HB       ALA  15   9.186   7.727  -2.321
   99    H    LYS  16           H        LYS  16  11.230   5.287  -2.232
  100    HA   LYS  16           HA       LYS  16  11.115   5.398  -5.124
  101   1HB   LYS  16          1HB       LYS  16  13.535   5.483  -5.006
  102   2HB   LYS  16          2HB       LYS  16  12.838   6.664  -3.916
  103   1HG   LYS  16          1HG       LYS  16  14.433   5.694  -2.515
  104   2HG   LYS  16          2HG       LYS  16  13.033   4.718  -2.118
  105   1HD   LYS  16          1HD       LYS  16  13.767   2.899  -3.526
  106   2HD   LYS  16          2HD       LYS  16  14.966   3.898  -4.323
  107   1HE   LYS  16          1HE       LYS  16  15.634   4.084  -1.584
  108   2HE   LYS  16          2HE       LYS  16  15.171   2.407  -1.794
  109   1HZ   LYS  16          1HZ       LYS  16  16.661   2.564  -3.853
  110   2HZ   LYS  16          2HZ       LYS  16  17.305   3.876  -3.124
  111   3HZ   LYS  16          3HZ       LYS  16  17.362   2.421  -2.386
  112    H    ASP  17           H        ASP  17  10.154   3.118  -3.097
  113    HA   ASP  17           HA       ASP  17  11.318   1.030  -4.754
  114   1HB   ASP  17          1HB       ASP  17  11.677   1.383  -1.929
  115   2HB   ASP  17          2HB       ASP  17  10.598   0.016  -2.126
  116    H    ARG  18           H        ARG  18   8.702   2.703  -4.551
  117    HA   ARG  18           HA       ARG  18   6.769   0.883  -3.594
  118   1HB   ARG  18          1HB       ARG  18   6.244   3.225  -5.475
  119   2HB   ARG  18          2HB       ARG  18   5.150   2.542  -4.288
  120   1HG   ARG  18          1HG       ARG  18   7.796   3.669  -3.349
  121   2HG   ARG  18          2HG       ARG  18   6.506   4.780  -3.764
  122   1HD   ARG  18          1HD       ARG  18   5.181   2.878  -2.198
  123   2HD   ARG  18          2HD       ARG  18   6.752   2.975  -1.427
  124    HE   ARG  18           HE       ARG  18   5.471   5.567  -2.062
  125   1HH1  ARG  18          1HH1      ARG  18   6.115   3.096   0.360
  126   2HH1  ARG  18          2HH1      ARG  18   5.781   4.141   1.700
  127   1HH2  ARG  18          1HH2      ARG  18   5.030   6.946  -0.294
  128   2HH2  ARG  18          2HH2      ARG  18   5.160   6.346   1.326
  129    H    VAL  19           H        VAL  19   5.599  -0.671  -4.749
  130    HA   VAL  19           HA       VAL  19   6.476  -1.138  -7.472
  131    HB   VAL  19           HB       VAL  19   4.676  -2.740  -5.643
  132   1HG1  VAL  19          1HG1      VAL  19   6.012  -3.413  -8.283
  133   2HG1  VAL  19          2HG1      VAL  19   5.279  -4.619  -7.198
  134   3HG1  VAL  19          3HG1      VAL  19   4.268  -3.351  -7.931
  135   1HG2  VAL  19          1HG2      VAL  19   7.417  -2.260  -5.374
  136   2HG2  VAL  19          2HG2      VAL  19   6.480  -3.569  -4.614
  137   3HG2  VAL  19          3HG2      VAL  19   7.316  -3.854  -6.159
  138    H    ASP  20           H        ASP  20   4.143   0.733  -5.938
  139    HA   ASP  20           HA       ASP  20   2.269   1.648  -6.535
  140   1HB   ASP  20          1HB       ASP  20   3.392   2.591  -8.414
  141   2HB   ASP  20          2HB       ASP  20   3.505   1.048  -9.238
  142    H    CYS  21           H        CYS  21   0.529   0.349  -5.843
  143    HA   CYS  21           HA       CYS  21   0.019  -2.180  -6.980
  144   1HB   CYS  21          1HB       CYS  21  -0.760  -0.781  -4.692
  145   2HB   CYS  21          2HB       CYS  21  -2.247  -1.000  -5.594
  146    H    GLY  22           H        GLY  22  -0.441   1.004  -8.084
  147   1HA   GLY  22          1HA       GLY  22  -1.718   0.360 -10.431
  148   2HA   GLY  22          2HA       GLY  22  -1.686   1.952  -9.700
  149    H    TYR  23           H        TYR  23  -3.380   2.503  -8.061
  150    HA   TYR  23           HA       TYR  23  -5.899   1.297  -8.861
  151   1HB   TYR  23          1HB       TYR  23  -4.560   0.400  -6.610
  152   2HB   TYR  23          2HB       TYR  23  -5.369   1.791  -5.917
  153    HD1  TYR  23           HD1      TYR  23  -6.450  -0.817  -8.401
  154    HD2  TYR  23           HD2      TYR  23  -7.189   1.111  -4.654
  155    HE1  TYR  23           HE1      TYR  23  -8.568  -2.191  -8.103
  156    HE2  TYR  23           HE2      TYR  23  -9.305  -0.269  -4.369
  157    HH   TYR  23           HH       TYR  23 -10.383  -2.465  -6.931
  158    HA   PRO  24           HA       PRO  24  -7.062   5.453  -8.475
  159   1HB   PRO  24          1HB       PRO  24  -9.776   5.205  -8.681
  160   2HB   PRO  24          2HB       PRO  24  -8.706   5.208 -10.069
  161   1HG   PRO  24          1HG       PRO  24 -10.109   2.928  -8.816
  162   2HG   PRO  24          2HG       PRO  24  -9.397   3.035 -10.414
  163   1HD   PRO  24          1HD       PRO  24  -8.298   1.689  -8.132
  164   2HD   PRO  24          2HD       PRO  24  -7.534   1.895  -9.695
  165    H    HIS  25           H        HIS  25  -9.815   3.953  -6.904
  166    HA   HIS  25           HA       HIS  25  -9.764   5.826  -4.840
  167   1HB   HIS  25          1HB       HIS  25 -11.743   4.929  -4.323
  168   2HB   HIS  25          2HB       HIS  25 -11.547   3.991  -5.790
  169    HD1  HIS  25           HD1      HIS  25 -12.103   3.614  -2.221
  170    HD2  HIS  25           HD2      HIS  25 -10.275   1.332  -5.229
  171    HE1  HIS  25           HE1      HIS  25 -11.941   1.234  -1.314
  172    HE2  HIS  25           HE2      HIS  25 -10.860  -0.133  -3.227
  173    H    VAL  26           H        VAL  26  -7.786   5.995  -3.770
  174    HA   VAL  26           HA       VAL  26  -7.051   3.604  -2.232
  175    HB   VAL  26           HB       VAL  26  -4.693   4.346  -2.460
  176   1HG1  VAL  26          1HG1      VAL  26  -6.302   3.494  -4.865
  177   2HG1  VAL  26          2HG1      VAL  26  -4.536   3.691  -4.966
  178   3HG1  VAL  26          3HG1      VAL  26  -5.238   2.524  -3.819
  179   1HG2  VAL  26          1HG2      VAL  26  -5.828   6.683  -3.509
  180   2HG2  VAL  26          2HG2      VAL  26  -4.100   6.263  -3.443
  181   3HG2  VAL  26          3HG2      VAL  26  -5.053   5.885  -4.898
  182    H    THR  27           H        THR  27  -7.090   3.938  -0.067
  183    HA   THR  27           HA       THR  27  -6.593   6.648   0.911
  184    HB   THR  27           HB       THR  27  -8.701   6.874   1.875
  185    HG1  THR  27           HG1      THR  27  -9.067   5.136   3.196
  186   1HG2  THR  27          1HG2      THR  27  -9.293   4.721  -0.224
  187   2HG2  THR  27          2HG2      THR  27 -10.507   5.779   0.534
  188   3HG2  THR  27          3HG2      THR  27  -9.260   6.474  -0.529
  189    HA   PRO  28           HA       PRO  28  -4.618   4.658   4.168
  190   1HB   PRO  28          1HB       PRO  28  -5.347   5.997   6.437
  191   2HB   PRO  28          2HB       PRO  28  -4.168   6.614   5.297
  192   1HG   PRO  28          1HG       PRO  28  -6.969   7.465   5.709
  193   2HG   PRO  28          2HG       PRO  28  -5.669   8.320   4.904
  194   1HD   PRO  28          1HD       PRO  28  -7.842   6.928   3.652
  195   2HD   PRO  28          2HD       PRO  28  -6.480   7.685   2.849
  196    H    LYS  29           H        LYS  29  -6.980   3.327   3.327
  197    HA   LYS  29           HA       LYS  29  -7.132   1.445   5.367
  198   1HB   LYS  29          1HB       LYS  29  -8.425   3.499   6.354
  199   2HB   LYS  29          2HB       LYS  29  -9.709   2.993   5.275
  200   1HG   LYS  29          1HG       LYS  29  -8.788   0.601   6.511
  201   2HG   LYS  29          2HG       LYS  29  -8.844   1.791   7.796
  202   1HD   LYS  29          1HD       LYS  29 -11.206   1.862   5.991
  203   2HD   LYS  29          2HD       LYS  29 -11.025   0.351   6.860
  204   1HE   LYS  29          1HE       LYS  29 -11.624   1.299   8.847
  205   2HE   LYS  29          2HE       LYS  29 -10.535   2.654   8.621
  206   1HZ   LYS  29          1HZ       LYS  29 -12.493   3.085   6.813
  207   2HZ   LYS  29          2HZ       LYS  29 -13.312   2.494   8.096
  208   3HZ   LYS  29          3HZ       LYS  29 -12.365   3.813   8.269
  209    H    GLU  30           H        GLU  30  -8.895   3.124   2.702
  210    HA   GLU  30           HA       GLU  30 -10.160   0.749   1.869
  211   1HB   GLU  30          1HB       GLU  30 -10.159   3.563   1.151
  212   2HB   GLU  30          2HB       GLU  30 -10.036   2.597  -0.305
  213   1HG   GLU  30          1HG       GLU  30 -12.363   2.702  -0.001
  214   2HG   GLU  30          2HG       GLU  30 -11.978   1.165   0.748
  215    H    CYS  31           H        CYS  31  -7.077   2.379   1.160
  216    HA   CYS  31           HA       CYS  31  -6.572   0.777  -1.155
  217   1HB   CYS  31          1HB       CYS  31  -5.545   2.813  -1.349
  218   2HB   CYS  31          2HB       CYS  31  -5.130   2.907   0.351
  219    H    ASN  32           H        ASN  32  -6.101   0.660   2.348
  220    HA   ASN  32           HA       ASN  32  -4.175  -1.470   2.083
  221   1HB   ASN  32          1HB       ASN  32  -5.389  -0.464   4.692
  222   2HB   ASN  32          2HB       ASN  32  -3.827  -1.223   4.456
  223   2HD2  ASN  32          2HD2      ASN  32  -5.751   1.662   3.898
  224   1HD2  ASN  32          1HD2      ASN  32  -4.449   2.786   3.700
  225    H    ASN  33           H        ASN  33  -7.460  -1.170   1.798
  226    HA   ASN  33           HA       ASN  33  -8.076  -3.484   3.432
  227   1HB   ASN  33          1HB       ASN  33  -9.636  -1.610   3.686
  228   2HB   ASN  33          2HB       ASN  33  -9.818  -1.452   1.950
  229   2HD2  ASN  33          2HD2      ASN  33 -10.838  -3.153   0.761
  230   1HD2  ASN  33          1HD2      ASN  33 -12.033  -4.166   1.499
  231    H    ARG  34           H        ARG  34  -8.133  -2.145   0.078
  232    HA   ARG  34           HA       ARG  34  -9.420  -4.235  -1.141
  233   1HB   ARG  34          1HB       ARG  34  -8.442  -1.845  -1.982
  234   2HB   ARG  34          2HB       ARG  34  -7.163  -2.870  -2.602
  235   1HG   ARG  34          1HG       ARG  34  -9.045  -2.477  -4.248
  236   2HG   ARG  34          2HG       ARG  34  -8.723  -4.170  -3.933
  237   1HD   ARG  34          1HD       ARG  34 -10.715  -2.949  -2.084
  238   2HD   ARG  34          2HD       ARG  34 -11.221  -2.980  -3.762
  239    HE   ARG  34           HE       ARG  34 -10.971  -5.268  -2.006
  240   1HH1  ARG  34          1HH1      ARG  34 -10.624  -4.283  -5.366
  241   2HH1  ARG  34          2HH1      ARG  34 -10.927  -5.869  -5.995
  242   1HH2  ARG  34          1HH2      ARG  34 -11.370  -7.360  -2.835
  243   2HH2  ARG  34          2HH2      ARG  34 -11.354  -7.630  -4.546
  244    H    GLY  35           H        GLY  35  -6.179  -3.973   0.184
  245   1HA   GLY  35          1HA       GLY  35  -5.507  -6.609  -0.982
  246   2HA   GLY  35          2HA       GLY  35  -5.080  -6.086   0.636
  247    H    CYS  36           H        CYS  36  -3.642  -4.086   0.822
  248    HA   CYS  36           HA       CYS  36  -1.318  -4.464  -0.571
  249   1HB   CYS  36          1HB       CYS  36  -3.106  -3.276  -2.299
  250   2HB   CYS  36          2HB       CYS  36  -2.231  -1.898  -1.662
  251    H    CYS  37           H        CYS  37  -0.600  -1.542  -0.685
  252    HA   CYS  37           HA       CYS  37  -0.976  -0.882   2.143
  253   1HB   CYS  37          1HB       CYS  37   1.553  -1.034   0.550
  254   2HB   CYS  37          2HB       CYS  37   1.414   0.175   1.810
  255    H    PHE  38           H        PHE  38  -1.051   1.442   2.569
  256    HA   PHE  38           HA       PHE  38  -1.514   3.002   0.125
  257   1HB   PHE  38          1HB       PHE  38  -3.561   2.609   1.477
  258   2HB   PHE  38          2HB       PHE  38  -2.718   3.035   2.953
  259    HD1  PHE  38           HD1      PHE  38  -4.048   4.404  -0.213
  260    HD2  PHE  38           HD2      PHE  38  -2.559   5.290   3.661
  261    HE1  PHE  38           HE1      PHE  38  -4.809   6.782  -0.465
  262    HE2  PHE  38           HE2      PHE  38  -3.320   7.669   3.408
  263    HZ   PHE  38           HZ       PHE  38  -4.436   8.387   1.349
  264    H    ASP  39           H        ASP  39  -1.383   5.514   0.733
  265    HA   ASP  39           HA       ASP  39   0.267   6.304   2.786
  266   1HB   ASP  39          1HB       ASP  39   2.103   5.137   1.723
  267   2HB   ASP  39          2HB       ASP  39   1.663   5.743   0.139
  268    H    SER  40           H        SER  40   0.433   8.653   2.744
  269    HA   SER  40           HA       SER  40  -0.521   9.899   0.300
  270   1HB   SER  40          1HB       SER  40  -2.044  11.352   1.550
  271   2HB   SER  40          2HB       SER  40  -2.454   9.675   1.851
  272    HG   SER  40           HG       SER  40  -0.797  11.287   3.599
  273    H    ARG  41           H        ARG  41   2.087   9.499   1.997
  274    HA   ARG  41           HA       ARG  41   2.719  11.945   3.116
  275   1HB   ARG  41          1HB       ARG  41   3.924   9.523   3.079
  276   2HB   ARG  41          2HB       ARG  41   4.875  10.278   1.816
  277   1HG   ARG  41          1HG       ARG  41   4.631  12.161   3.996
  278   2HG   ARG  41          2HG       ARG  41   5.113  10.615   4.667
  279   1HD   ARG  41          1HD       ARG  41   6.983  10.486   2.987
  280   2HD   ARG  41          2HD       ARG  41   6.513  12.052   2.358
  281    HE   ARG  41           HE       ARG  41   7.519  13.075   4.209
  282   1HH1  ARG  41          1HH1      ARG  41   7.026   9.660   4.904
  283   2HH1  ARG  41          2HH1      ARG  41   7.914   9.703   6.390
  284   1HH2  ARG  41          1HH2      ARG  41   8.691  13.132   6.170
  285   2HH2  ARG  41          2HH2      ARG  41   8.868  11.691   7.115
  286    H    ILE  42           H        ILE  42   3.340  10.546  -0.173
  287    HA   ILE  42           HA       ILE  42   3.576  13.266  -1.184
  288    HB   ILE  42           HB       ILE  42   5.523  11.977  -2.613
  289   1HG1  ILE  42          1HG1      ILE  42   7.072  11.019  -0.922
  290   2HG1  ILE  42          2HG1      ILE  42   5.802  11.119   0.282
  291   1HG2  ILE  42          1HG2      ILE  42   5.743  13.794  -0.201
  292   2HG2  ILE  42          2HG2      ILE  42   7.096  13.402  -1.289
  293   3HG2  ILE  42          3HG2      ILE  42   5.669  14.261  -1.918
  294   1HD1  ILE  42          1HD1      ILE  42   4.901   9.798  -2.201
  295   2HD1  ILE  42          2HD1      ILE  42   6.254   8.956  -1.410
  296   3HD1  ILE  42          3HD1      ILE  42   4.749   9.262  -0.511
  297    HA   PRO  43           HA       PRO  43   1.021  11.388  -4.140
  298   1HB   PRO  43          1HB       PRO  43   0.723  13.514  -5.831
  299   2HB   PRO  43          2HB       PRO  43  -0.228  13.308  -4.374
  300   1HG   PRO  43          1HG       PRO  43   2.020  15.162  -4.873
  301   2HG   PRO  43          2HG       PRO  43   0.803  15.227  -3.614
  302   1HD   PRO  43          1HD       PRO  43   3.525  14.369  -3.328
  303   2HD   PRO  43          2HD       PRO  43   2.277  14.324  -2.098
  304    H    GLY  44           H        GLY  44   3.894  13.104  -5.161
  305   1HA   GLY  44          1HA       GLY  44   5.514  12.394  -6.579
  306   2HA   GLY  44          2HA       GLY  44   4.193  12.394  -7.731
  307    H    VAL  45           H        VAL  45   4.714  10.231  -4.872
  308    HA   VAL  45           HA       VAL  45   5.346   8.035  -6.659
  309    HB   VAL  45           HB       VAL  45   6.262   7.020  -4.857
  310   1HG1  VAL  45          1HG1      VAL  45   7.170   9.391  -5.091
  311   2HG1  VAL  45          2HG1      VAL  45   6.202   9.798  -3.654
  312   3HG1  VAL  45          3HG1      VAL  45   7.485   8.570  -3.544
  313   1HG2  VAL  45          1HG2      VAL  45   4.066   8.292  -3.211
  314   2HG2  VAL  45          2HG2      VAL  45   4.360   6.567  -3.537
  315   3HG2  VAL  45          3HG2      VAL  45   5.455   7.469  -2.463
  316    HA   PRO  46           HA       PRO  46   1.455   6.161  -6.415
  317   1HB   PRO  46          1HB       PRO  46   1.945   3.504  -6.006
  318   2HB   PRO  46          2HB       PRO  46   2.127   4.283  -7.565
  319   1HG   PRO  46          1HG       PRO  46   4.224   3.411  -5.673
  320   2HG   PRO  46          2HG       PRO  46   4.372   3.789  -7.378
  321   1HD   PRO  46          1HD       PRO  46   5.166   5.448  -5.177
  322   2HD   PRO  46          2HD       PRO  46   5.207   5.872  -6.876
  323    H    TRP  47           H        TRP  47   0.468   7.246  -4.715
  324    HA   TRP  47           HA       TRP  47   0.821   6.975  -2.115
  325   1HB   TRP  47          1HB       TRP  47  -1.616   7.285  -3.783
  326   2HB   TRP  47          2HB       TRP  47  -1.862   6.899  -2.092
  327    HD1  TRP  47           HD1      TRP  47   1.066   9.190  -3.126
  328    HE1  TRP  47           HE1      TRP  47   0.722  11.645  -2.221
  329    HE3  TRP  47           HE3      TRP  47  -3.669   8.461  -1.421
  330    HZ2  TRP  47           HZ2      TRP  47  -1.443  12.976  -0.922
  331    HZ3  TRP  47           HZ3      TRP  47  -4.827  10.390  -0.347
  332    HH2  TRP  47           HH2      TRP  47  -3.790  12.588  -0.086
  333    H    CYS  48           H        CYS  48  -1.138   4.659  -4.125
  334    HA   CYS  48           HA       CYS  48  -1.074   2.794  -1.902
  335   1HB   CYS  48          1HB       CYS  48  -3.168   3.373  -3.273
  336   2HB   CYS  48          2HB       CYS  48  -2.469   2.387  -4.542
  337    H    PHE  49           H        PHE  49   0.712   1.474  -1.810
  338    HA   PHE  49           HA       PHE  49   1.694   0.421  -4.362
  339   1HB   PHE  49          1HB       PHE  49   3.999   0.582  -3.127
  340   2HB   PHE  49          2HB       PHE  49   3.315   2.094  -3.690
  341    HD1  PHE  49           HD1      PHE  49   3.389  -0.078  -0.658
  342    HD2  PHE  49           HD2      PHE  49   3.131   3.864  -2.208
  343    HE1  PHE  49           HE1      PHE  49   3.517   0.847   1.672
  344    HE2  PHE  49           HE2      PHE  49   3.259   4.789   0.122
  345    HZ   PHE  49           HZ       PHE  49   3.450   3.269   2.034
  346    H    LYS  50           H        LYS  50   3.205  -1.553  -3.932
  347    HA   LYS  50           HA       LYS  50   1.706  -3.371  -2.333
  348   1HB   LYS  50          1HB       LYS  50   4.356  -3.829  -3.730
  349   2HB   LYS  50          2HB       LYS  50   3.206  -5.044  -3.209
  350   1HG   LYS  50          1HG       LYS  50   1.489  -4.018  -4.768
  351   2HG   LYS  50          2HG       LYS  50   2.720  -2.913  -5.343
  352   1HD   LYS  50          1HD       LYS  50   3.023  -4.565  -6.926
  353   2HD   LYS  50          2HD       LYS  50   4.090  -5.217  -5.698
  354   1HE   LYS  50          1HE       LYS  50   2.518  -6.849  -5.000
  355   2HE   LYS  50          2HE       LYS  50   1.153  -5.957  -5.641
  356   1HZ   LYS  50          1HZ       LYS  50   3.077  -6.690  -7.617
  357   2HZ   LYS  50          2HZ       LYS  50   2.373  -7.971  -6.888
  358   3HZ   LYS  50          3HZ       LYS  50   1.452  -6.849  -7.637
  359    HA   PRO  51           HA       PRO  51   4.044  -3.303   1.294
  360   1HB   PRO  51          1HB       PRO  51   4.120  -5.914   2.096
  361   2HB   PRO  51          2HB       PRO  51   2.719  -4.884   2.317
  362   1HG   PRO  51          1HG       PRO  51   3.134  -7.052   0.351
  363   2HG   PRO  51          2HG       PRO  51   1.632  -6.312   0.868
  364   1HD   PRO  51          1HD       PRO  51   3.020  -5.835  -1.596
  365   2HD   PRO  51          2HD       PRO  51   1.582  -5.012  -1.026
  366    H    LEU  52           H        LEU  52   6.091  -2.761   1.675
  367    HA   LEU  52           HA       LEU  52   8.133  -3.249   0.073
  368   1HB   LEU  52          1HB       LEU  52   8.324  -1.813   1.962
  369   2HB   LEU  52          2HB       LEU  52   8.118  -3.143   3.085
  370    HG   LEU  52           HG       LEU  52  10.490  -2.798   1.230
  371   1HD1  LEU  52          1HD1      LEU  52   9.867  -1.508   3.717
  372   2HD1  LEU  52          2HD1      LEU  52  11.266  -2.586   3.940
  373   3HD1  LEU  52          3HD1      LEU  52  11.302  -1.330   2.679
  374   1HD2  LEU  52          1HD2      LEU  52   9.593  -4.984   2.983
  375   2HD2  LEU  52          2HD2      LEU  52  10.729  -4.993   1.613
  376   3HD2  LEU  52          3HD2      LEU  52  11.284  -4.486   3.227
  377    H    GLN  53           H        GLN  53   9.496  -4.882  -0.564
  378    HA   GLN  53           HA       GLN  53   8.641  -7.488  -0.113
  379   1HB   GLN  53          1HB       GLN  53  10.857  -6.133  -1.559
  380   2HB   GLN  53          2HB       GLN  53  11.218  -7.775  -1.064
  381   1HG   GLN  53          1HG       GLN  53  10.055  -8.480  -2.881
  382   2HG   GLN  53          2HG       GLN  53   8.596  -7.959  -2.062
  383   2HE2  GLN  53          2HE2      GLN  53   8.506  -5.368  -2.081
  384   1HE2  GLN  53          1HE2      GLN  53   8.582  -4.672  -3.665
  385    H    GLU  54           H        GLU  54   8.567  -7.513   2.296
  386    HA   GLU  54           HA       GLU  54  10.614  -7.080   3.964
  387   1HB   GLU  54          1HB       GLU  54   9.429  -8.345   5.548
  388   2HB   GLU  54          2HB       GLU  54   8.178  -7.919   4.398
  389   1HG   GLU  54          1HG       GLU  54   8.717 -10.170   3.216
  390   2HG   GLU  54          2HG       GLU  54   9.644 -10.578   4.646
  391    H    ALA  55           H        ALA  55  12.682  -7.823   4.131
  392    HA   ALA  55           HA       ALA  55  13.266 -10.591   3.892
  393   1HB   ALA  55          1HB       ALA  55  13.338 -10.488   1.588
  394   2HB   ALA  55          2HB       ALA  55  14.997  -9.955   1.955
  395   3HB   ALA  55          3HB       ALA  55  13.741  -8.754   1.568
  396    H    GLU  56           H        GLU  56  14.861  -7.366   3.327
  397    HA   GLU  56           HA       GLU  56  16.607  -8.075   5.556
  398   1HB   GLU  56          1HB       GLU  56  18.402  -6.808   4.459
  399   2HB   GLU  56          2HB       GLU  56  17.806  -8.055   3.382
  400   1HG   GLU  56          1HG       GLU  56  16.614  -5.269   3.254
  401   2HG   GLU  56          2HG       GLU  56  18.152  -5.591   2.476
  402    H    CYS  57           H        CYS  57  17.749  -5.836   6.362
  403    HA   CYS  57           HA       CYS  57  15.483  -4.068   6.886
  404   1HB   CYS  57          1HB       CYS  57  18.062  -4.353   8.441
  405   2HB   CYS  57          2HB       CYS  57  16.689  -3.355   8.874
  406    H    THR  58           H        THR  58  15.637  -2.758   4.981
  407    HA   THR  58           HA       THR  58  17.978  -1.799   3.865
  408    HB   THR  58           HB       THR  58  15.605  -1.760   2.926
  409    HG1  THR  58           HG1      THR  58  16.456  -0.121   1.681
  410   1HG2  THR  58          1HG2      THR  58  15.289   0.126   5.188
  411   2HG2  THR  58          2HG2      THR  58  14.824   0.840   3.625
  412   3HG2  THR  58          3HG2      THR  58  14.038  -0.654   4.190
  413    H    PHE  59           H        PHE  59  18.628   0.596   3.771
  414    HA   PHE  59           HA       PHE  59  19.891   1.328   5.988
  415   1HB   PHE  59          1HB       PHE  59  18.849   2.553   3.530
  416   2HB   PHE  59          2HB       PHE  59  18.779   3.732   4.824
  417    HD1  PHE  59           HD1      PHE  59  21.139   3.305   6.388
  418    HD2  PHE  59           HD2      PHE  59  20.663   2.989   2.183
  419    HE1  PHE  59           HE1      PHE  59  23.581   3.794   6.074
  420    HE2  PHE  59           HE2      PHE  59  23.106   3.477   1.870
  421    HZ   PHE  59           HZ       PHE  59  24.535   3.874   3.819

  No H/Q in entry =         421
  Start of MODEL   44
    1    H    GLU   1           H        GLU   1   6.869 -16.578  18.157
    2    HA   GLU   1           HA       GLU   1   8.979 -16.062  17.752
    3   1HB   GLU   1          1HB       GLU   1   8.632 -18.729  18.058
    4   2HB   GLU   1          2HB       GLU   1   9.392 -18.750  16.480
    5   1HG   GLU   1          1HG       GLU   1  10.847 -16.886  18.141
    6   2HG   GLU   1          2HG       GLU   1  10.635 -18.368  19.052
    7    H    GLU   2           H        GLU   2   7.787 -14.701  15.817
    8    HA   GLU   2           HA       GLU   2   9.673 -14.639  13.792
    9   1HB   GLU   2          1HB       GLU   2   8.216 -16.733  13.175
   10   2HB   GLU   2          2HB       GLU   2   6.998 -15.565  12.703
   11   1HG   GLU   2          1HG       GLU   2   8.219 -14.804  10.883
   12   2HG   GLU   2          2HG       GLU   2   9.763 -15.046  11.675
   13    H    TYR   3           H        TYR   3   8.886 -13.043  11.955
   14    HA   TYR   3           HA       TYR   3   7.291 -10.993  13.315
   15   1HB   TYR   3          1HB       TYR   3   9.805 -10.954  12.202
   16   2HB   TYR   3          2HB       TYR   3   8.881 -10.633  10.749
   17    HD1  TYR   3           HD1      TYR   3   8.805  -9.440  14.317
   18    HD2  TYR   3           HD2      TYR   3   8.770  -8.399  10.168
   19    HE1  TYR   3           HE1      TYR   3   8.687  -6.975  14.929
   20    HE2  TYR   3           HE2      TYR   3   8.651  -5.938  10.793
   21    HH   TYR   3           HH       TYR   3   7.682  -4.822  13.534
   22    H    VAL   4           H        VAL   4   5.739  -9.727  12.055
   23    HA   VAL   4           HA       VAL   4   5.012 -10.557   9.448
   24    HB   VAL   4           HB       VAL   4   4.180 -12.484  10.730
   25   1HG1  VAL   4          1HG1      VAL   4   3.691 -10.950  12.796
   26   2HG1  VAL   4          2HG1      VAL   4   2.103 -10.733  12.022
   27   3HG1  VAL   4          3HG1      VAL   4   2.657 -12.363  12.475
   28   1HG2  VAL   4          1HG2      VAL   4   2.327 -10.639   9.265
   29   2HG2  VAL   4          2HG2      VAL   4   2.939 -12.246   8.807
   30   3HG2  VAL   4          3HG2      VAL   4   1.656 -12.098  10.032
   31    H    GLY   5           H        GLY   5   5.794  -8.110  10.420
   32   1HA   GLY   5          1HA       GLY   5   5.166  -5.964  10.705
   33   2HA   GLY   5          2HA       GLY   5   3.654  -6.519  11.396
   34    H    LEU   6           H        LEU   6   1.784  -6.229  10.235
   35    HA   LEU   6           HA       LEU   6   2.116  -5.702   7.363
   36   1HB   LEU   6          1HB       LEU   6  -0.219  -6.491   7.142
   37   2HB   LEU   6          2HB       LEU   6   0.929  -7.724   7.625
   38    HG   LEU   6           HG       LEU   6  -0.057  -6.767  10.049
   39   1HD1  LEU   6          1HD1      LEU   6  -1.835  -5.739   8.314
   40   2HD1  LEU   6          2HD1      LEU   6  -2.549  -7.353   8.547
   41   3HD1  LEU   6          3HD1      LEU   6  -2.266  -6.295   9.950
   42   1HD2  LEU   6          1HD2      LEU   6   0.486  -9.117   9.286
   43   2HD2  LEU   6          2HD2      LEU   6  -0.954  -8.942  10.319
   44   3HD2  LEU   6          3HD2      LEU   6  -1.140  -9.167   8.563
   45    H    SER   7           H        SER   7   2.685  -3.629   9.102
   46    HA   SER   7           HA       SER   7   0.777  -1.762   8.270
   47   1HB   SER   7          1HB       SER   7  -0.074  -1.014  10.453
   48   2HB   SER   7          2HB       SER   7  -0.521  -2.684  10.168
   49    HG   SER   7           HG       SER   7   0.268  -2.489  12.305
   50    H    ALA   8           H        ALA   8   2.203  -0.167   7.685
   51    HA   ALA   8           HA       ALA   8   3.667   1.500   8.013
   52   1HB   ALA   8          1HB       ALA   8   4.425   2.087  10.118
   53   2HB   ALA   8          2HB       ALA   8   4.688   0.398  10.615
   54   3HB   ALA   8          3HB       ALA   8   3.038   1.064  10.566
   55    H    ASN   9           H        ASN   9   5.140  -1.372   9.693
   56    HA   ASN   9           HA       ASN   9   7.596  -1.094   8.570
   57   1HB   ASN   9          1HB       ASN   9   6.137  -3.679   9.334
   58   2HB   ASN   9          2HB       ASN   9   7.866  -3.567   9.078
   59   2HD2  ASN   9          2HD2      ASN   9   5.623  -3.743  11.373
   60   1HD2  ASN   9          1HD2      ASN   9   6.354  -2.866  12.675
   61    H    GLN  10           H        GLN  10   4.719  -3.016   7.466
   62    HA   GLN  10           HA       GLN  10   6.032  -4.066   5.219
   63   1HB   GLN  10          1HB       GLN  10   3.755  -4.706   6.540
   64   2HB   GLN  10          2HB       GLN  10   3.044  -3.782   5.232
   65   1HG   GLN  10          1HG       GLN  10   3.155  -5.724   4.039
   66   2HG   GLN  10          2HG       GLN  10   4.855  -5.346   3.846
   67   2HE2  GLN  10          2HE2      GLN  10   3.015  -7.817   4.353
   68   1HE2  GLN  10          1HE2      GLN  10   3.894  -8.760   5.509
   69    H    CYS  11           H        CYS  11   4.208  -1.090   5.905
   70    HA   CYS  11           HA       CYS  11   4.474  -0.374   3.077
   71   1HB   CYS  11          1HB       CYS  11   2.686   1.183   4.872
   72   2HB   CYS  11          2HB       CYS  11   2.544   0.837   3.160
   73    H    ALA  12           H        ALA  12   6.787  -0.262   4.600
   74    HA   ALA  12           HA       ALA  12   6.989   2.592   5.281
   75   1HB   ALA  12          1HB       ALA  12   9.136   1.377   6.500
   76   2HB   ALA  12          2HB       ALA  12   7.588   1.742   7.299
   77   3HB   ALA  12          3HB       ALA  12   7.885   0.118   6.634
   78    H    VAL  13           H        VAL  13   7.102   2.137   2.637
   79    HA   VAL  13           HA       VAL  13   9.851   1.550   1.914
   80    HB   VAL  13           HB       VAL  13   7.939   2.478  -0.127
   81   1HG1  VAL  13          1HG1      VAL  13  10.182   0.613   0.170
   82   2HG1  VAL  13          2HG1      VAL  13   8.841  -0.051  -0.795
   83   3HG1  VAL  13          3HG1      VAL  13   9.600   1.489  -1.266
   84   1HG2  VAL  13          1HG2      VAL  13   7.347   0.099   1.632
   85   2HG2  VAL  13          2HG2      VAL  13   6.250   1.379   1.060
   86   3HG2  VAL  13          3HG2      VAL  13   6.833   0.136  -0.072
   87    HA   PRO  14           HA       PRO  14  10.978   5.713   1.662
   88   1HB   PRO  14          1HB       PRO  14  13.028   5.616  -0.143
   89   2HB   PRO  14          2HB       PRO  14  13.215   5.179   1.544
   90   1HG   PRO  14          1HG       PRO  14  13.056   3.414  -0.822
   91   2HG   PRO  14          2HG       PRO  14  13.656   3.047   0.782
   92   1HD   PRO  14          1HD       PRO  14  11.125   2.270  -0.322
   93   2HD   PRO  14          2HD       PRO  14  11.679   2.004   1.319
   94    H    ALA  15           H        ALA  15   9.258   4.245  -0.650
   95    HA   ALA  15           HA       ALA  15   7.818   5.238  -2.073
   96   1HB   ALA  15          1HB       ALA  15   9.358   7.774  -2.380
   97   2HB   ALA  15          2HB       ALA  15   7.607   7.513  -2.197
   98   3HB   ALA  15          3HB       ALA  15   8.669   7.457  -0.770
   99    H    LYS  16           H        LYS  16  11.343   5.356  -2.337
  100    HA   LYS  16           HA       LYS  16  11.220   5.412  -5.230
  101   1HB   LYS  16          1HB       LYS  16  13.644   5.501  -5.115
  102   2HB   LYS  16          2HB       LYS  16  12.939   6.712  -4.064
  103   1HG   LYS  16          1HG       LYS  16  14.475   5.817  -2.579
  104   2HG   LYS  16          2HG       LYS  16  13.129   4.749  -2.238
  105   1HD   LYS  16          1HD       LYS  16  14.419   2.985  -2.835
  106   2HD   LYS  16          2HD       LYS  16  14.447   3.593  -4.478
  107   1HE   LYS  16          1HE       LYS  16  16.560   4.523  -4.255
  108   2HE   LYS  16          2HE       LYS  16  16.320   4.943  -2.571
  109   1HZ   LYS  16          1HZ       LYS  16  16.701   2.193  -3.532
  110   2HZ   LYS  16          2HZ       LYS  16  17.891   3.125  -2.912
  111   3HZ   LYS  16          3HZ       LYS  16  16.633   2.676  -1.973
  112    H    ASP  17           H        ASP  17  10.312   3.160  -3.124
  113    HA   ASP  17           HA       ASP  17  11.484   1.049  -4.750
  114   1HB   ASP  17          1HB       ASP  17  11.814   1.462  -1.931
  115   2HB   ASP  17          2HB       ASP  17  10.741   0.088  -2.106
  116    H    ARG  18           H        ARG  18   8.854   2.712  -4.597
  117    HA   ARG  18           HA       ARG  18   6.922   0.901  -3.626
  118   1HB   ARG  18          1HB       ARG  18   6.415   3.198  -5.568
  119   2HB   ARG  18          2HB       ARG  18   5.299   2.530  -4.393
  120   1HG   ARG  18          1HG       ARG  18   7.919   3.702  -3.429
  121   2HG   ARG  18          2HG       ARG  18   6.615   4.786  -3.874
  122   1HD   ARG  18          1HD       ARG  18   5.299   2.890  -2.299
  123   2HD   ARG  18          2HD       ARG  18   6.860   3.008  -1.513
  124    HE   ARG  18           HE       ARG  18   5.543   5.577  -2.186
  125   1HH1  ARG  18          1HH1      ARG  18   6.263   3.158   0.267
  126   2HH1  ARG  18          2HH1      ARG  18   5.925   4.219   1.594
  127   1HH2  ARG  18          1HH2      ARG  18   5.096   6.976  -0.435
  128   2HH2  ARG  18          2HH2      ARG  18   5.256   6.405   1.192
  129    H    VAL  19           H        VAL  19   5.546  -0.513  -4.822
  130    HA   VAL  19           HA       VAL  19   6.504  -1.061  -7.531
  131    HB   VAL  19           HB       VAL  19   4.977  -2.684  -5.492
  132   1HG1  VAL  19          1HG1      VAL  19   5.600  -3.300  -8.392
  133   2HG1  VAL  19          2HG1      VAL  19   5.231  -4.560  -7.190
  134   3HG1  VAL  19          3HG1      VAL  19   4.019  -3.314  -7.575
  135   1HG2  VAL  19          1HG2      VAL  19   7.765  -2.872  -6.668
  136   2HG2  VAL  19          2HG2      VAL  19   7.303  -2.617  -4.968
  137   3HG2  VAL  19          3HG2      VAL  19   6.999  -4.189  -5.747
  138    H    ASP  20           H        ASP  20   4.209   0.806  -6.010
  139    HA   ASP  20           HA       ASP  20   2.251   1.602  -6.524
  140   1HB   ASP  20          1HB       ASP  20   3.297   2.616  -8.408
  141   2HB   ASP  20          2HB       ASP  20   3.471   1.090  -9.251
  142    H    CYS  21           H        CYS  21   0.662   0.135  -5.757
  143    HA   CYS  21           HA       CYS  21   0.209  -2.358  -6.982
  144   1HB   CYS  21          1HB       CYS  21  -0.388  -1.291  -4.570
  145   2HB   CYS  21          2HB       CYS  21  -1.948  -1.143  -5.353
  146    H    GLY  22           H        GLY  22  -0.852   0.956  -7.531
  147   1HA   GLY  22          1HA       GLY  22  -2.123   0.288  -9.979
  148   2HA   GLY  22          2HA       GLY  22  -2.074   1.855  -9.198
  149    H    TYR  23           H        TYR  23  -3.766   2.513  -7.766
  150    HA   TYR  23           HA       TYR  23  -6.175   0.877  -8.054
  151   1HB   TYR  23          1HB       TYR  23  -4.657   1.835  -5.603
  152   2HB   TYR  23          2HB       TYR  23  -6.405   1.918  -5.512
  153    HD1  TYR  23           HD1      TYR  23  -7.674  -0.316  -6.205
  154    HD2  TYR  23           HD2      TYR  23  -3.592  -0.126  -4.939
  155    HE1  TYR  23           HE1      TYR  23  -7.752  -2.774  -5.562
  156    HE2  TYR  23           HE2      TYR  23  -3.683  -2.585  -4.301
  157    HH   TYR  23           HH       TYR  23  -6.221  -4.609  -5.285
  158    HA   PRO  24           HA       PRO  24  -7.946   4.747  -8.840
  159   1HB   PRO  24          1HB       PRO  24 -10.594   4.193  -8.456
  160   2HB   PRO  24          2HB       PRO  24  -9.734   3.787  -9.928
  161   1HG   PRO  24          1HG       PRO  24 -10.597   2.004  -7.733
  162   2HG   PRO  24          2HG       PRO  24 -10.131   1.584  -9.369
  163   1HD   PRO  24          1HD       PRO  24  -8.544   1.273  -7.000
  164   2HD   PRO  24          2HD       PRO  24  -8.038   0.963  -8.648
  165    H    HIS  25           H        HIS  25 -10.112   3.603  -6.316
  166    HA   HIS  25           HA       HIS  25  -9.696   6.140  -4.996
  167   1HB   HIS  25          1HB       HIS  25 -11.653   5.662  -3.770
  168   2HB   HIS  25          2HB       HIS  25 -11.971   5.148  -5.415
  169    HD1  HIS  25           HD1      HIS  25 -13.490   4.022  -2.874
  170    HD2  HIS  25           HD2      HIS  25 -10.288   2.149  -4.833
  171    HE1  HIS  25           HE1      HIS  25 -13.670   1.538  -2.323
  172    HE2  HIS  25           HE2      HIS  25 -11.709   0.431  -3.599
  173    H    VAL  26           H        VAL  26  -7.503   5.871  -4.270
  174    HA   VAL  26           HA       VAL  26  -7.062   3.682  -2.398
  175    HB   VAL  26           HB       VAL  26  -4.714   4.485  -2.486
  176   1HG1  VAL  26          1HG1      VAL  26  -6.025   3.844  -5.150
  177   2HG1  VAL  26          2HG1      VAL  26  -4.282   3.724  -4.809
  178   3HG1  VAL  26          3HG1      VAL  26  -5.432   2.677  -3.944
  179   1HG2  VAL  26          1HG2      VAL  26  -5.891   6.803  -3.606
  180   2HG2  VAL  26          2HG2      VAL  26  -4.164   6.475  -3.327
  181   3HG2  VAL  26          3HG2      VAL  26  -4.907   6.062  -4.891
  182    H    THR  27           H        THR  27  -7.076   3.953  -0.212
  183    HA   THR  27           HA       THR  27  -6.761   6.655   0.843
  184    HB   THR  27           HB       THR  27  -8.877   6.644   1.953
  185    HG1  THR  27           HG1      THR  27 -10.006   4.585   2.152
  186   1HG2  THR  27          1HG2      THR  27  -9.063   6.678  -0.674
  187   2HG2  THR  27          2HG2      THR  27  -9.633   5.001  -0.496
  188   3HG2  THR  27          3HG2      THR  27 -10.536   6.333   0.264
  189    HA   PRO  28           HA       PRO  28  -4.752   4.643   4.059
  190   1HB   PRO  28          1HB       PRO  28  -5.420   6.051   6.304
  191   2HB   PRO  28          2HB       PRO  28  -4.235   6.610   5.139
  192   1HG   PRO  28          1HG       PRO  28  -7.007   7.548   5.559
  193   2HG   PRO  28          2HG       PRO  28  -5.692   8.349   4.722
  194   1HD   PRO  28          1HD       PRO  28  -7.915   6.992   3.523
  195   2HD   PRO  28          2HD       PRO  28  -6.541   7.691   2.690
  196    H    LYS  29           H        LYS  29  -7.110   3.320   3.266
  197    HA   LYS  29           HA       LYS  29  -7.313   1.520   5.373
  198   1HB   LYS  29          1HB       LYS  29  -8.586   3.631   6.267
  199   2HB   LYS  29          2HB       LYS  29  -9.867   3.099   5.197
  200   1HG   LYS  29          1HG       LYS  29  -8.753   0.855   6.742
  201   2HG   LYS  29          2HG       LYS  29  -9.335   2.131   7.793
  202   1HD   LYS  29          1HD       LYS  29 -11.332   1.904   5.803
  203   2HD   LYS  29          2HD       LYS  29 -10.865   0.248   6.137
  204   1HE   LYS  29          1HE       LYS  29 -11.153   0.734   8.620
  205   2HE   LYS  29          2HE       LYS  29 -11.770   2.319   8.194
  206   1HZ   LYS  29          1HZ       LYS  29 -13.362   0.987   6.729
  207   2HZ   LYS  29          2HZ       LYS  29 -12.962  -0.287   7.668
  208   3HZ   LYS  29          3HZ       LYS  29 -13.643   1.038   8.337
  209    H    GLU  30           H        GLU  30  -8.853   3.113   2.548
  210    HA   GLU  30           HA       GLU  30 -10.189   0.715   1.812
  211   1HB   GLU  30          1HB       GLU  30 -11.041   3.035   1.307
  212   2HB   GLU  30          2HB       GLU  30  -9.715   3.249   0.182
  213   1HG   GLU  30          1HG       GLU  30 -10.958   2.250  -1.427
  214   2HG   GLU  30          2HG       GLU  30 -10.894   0.754  -0.515
  215    H    CYS  31           H        CYS  31  -7.183   2.458   0.915
  216    HA   CYS  31           HA       CYS  31  -6.620   0.812  -1.309
  217   1HB   CYS  31          1HB       CYS  31  -5.536   2.813  -1.465
  218   2HB   CYS  31          2HB       CYS  31  -5.186   2.901   0.249
  219    H    ASN  32           H        ASN  32  -6.078   0.700   2.210
  220    HA   ASN  32           HA       ASN  32  -4.201  -1.446   1.960
  221   1HB   ASN  32          1HB       ASN  32  -5.578  -0.548   4.529
  222   2HB   ASN  32          2HB       ASN  32  -4.001  -1.294   4.363
  223   2HD2  ASN  32          2HD2      ASN  32  -5.900   1.606   3.867
  224   1HD2  ASN  32          1HD2      ASN  32  -4.595   2.739   3.758
  225    H    ASN  33           H        ASN  33  -7.562  -1.066   1.758
  226    HA   ASN  33           HA       ASN  33  -8.133  -3.558   3.115
  227   1HB   ASN  33          1HB       ASN  33  -9.679  -1.709   3.597
  228   2HB   ASN  33          2HB       ASN  33  -9.917  -1.395   1.889
  229   2HD2  ASN  33          2HD2      ASN  33 -11.318  -2.657   4.510
  230   1HD2  ASN  33          1HD2      ASN  33 -12.365  -3.854   3.824
  231    H    ARG  34           H        ARG  34  -8.261  -1.866  -0.073
  232    HA   ARG  34           HA       ARG  34  -9.603  -3.744  -1.507
  233   1HB   ARG  34          1HB       ARG  34  -8.394  -1.352  -2.076
  234   2HB   ARG  34          2HB       ARG  34  -7.258  -2.437  -2.853
  235   1HG   ARG  34          1HG       ARG  34  -8.966  -1.793  -4.480
  236   2HG   ARG  34          2HG       ARG  34  -9.150  -3.498  -4.116
  237   1HD   ARG  34          1HD       ARG  34 -11.012  -3.027  -2.574
  238   2HD   ARG  34          2HD       ARG  34 -10.765  -1.299  -2.738
  239    HE   ARG  34           HE       ARG  34 -11.160  -2.411  -5.349
  240   1HH1  ARG  34          1HH1      ARG  34 -12.950  -1.757  -2.390
  241   2HH1  ARG  34          2HH1      ARG  34 -14.473  -1.588  -3.198
  242   1HH2  ARG  34          1HH2      ARG  34 -13.170  -2.189  -6.414
  243   2HH2  ARG  34          2HH2      ARG  34 -14.599  -1.836  -5.502
  244    H    GLY  35           H        GLY  35  -6.314  -3.781  -0.219
  245   1HA   GLY  35          1HA       GLY  35  -5.799  -6.319  -1.654
  246   2HA   GLY  35          2HA       GLY  35  -5.414  -6.053   0.034
  247    H    CYS  36           H        CYS  36  -3.906  -4.121   0.522
  248    HA   CYS  36           HA       CYS  36  -1.505  -4.477  -0.654
  249   1HB   CYS  36          1HB       CYS  36  -3.140  -3.102  -2.492
  250   2HB   CYS  36          2HB       CYS  36  -2.050  -1.899  -1.832
  251    H    CYS  37           H        CYS  37  -0.552  -1.694  -0.628
  252    HA   CYS  37           HA       CYS  37  -1.236  -1.000   2.137
  253   1HB   CYS  37          1HB       CYS  37   1.399  -1.236   0.762
  254   2HB   CYS  37          2HB       CYS  37   1.205   0.056   1.930
  255    H    PHE  38           H        PHE  38  -1.248   1.337   2.596
  256    HA   PHE  38           HA       PHE  38  -1.582   2.917   0.144
  257   1HB   PHE  38          1HB       PHE  38  -3.680   2.582   1.429
  258   2HB   PHE  38          2HB       PHE  38  -2.870   2.971   2.934
  259    HD1  PHE  38           HD1      PHE  38  -4.124   4.388  -0.232
  260    HD2  PHE  38           HD2      PHE  38  -2.604   5.230   3.639
  261    HE1  PHE  38           HE1      PHE  38  -4.805   6.791  -0.487
  262    HE2  PHE  38           HE2      PHE  38  -3.285   7.632   3.384
  263    HZ   PHE  38           HZ       PHE  38  -4.378   8.384   1.324
  264    H    ASP  39           H        ASP  39  -1.384   5.417   0.737
  265    HA   ASP  39           HA       ASP  39   0.220   6.162   2.848
  266   1HB   ASP  39          1HB       ASP  39   2.031   4.911   1.794
  267   2HB   ASP  39          2HB       ASP  39   1.685   5.620   0.229
  268    H    SER  40           H        SER  40   0.428   8.503   2.824
  269    HA   SER  40           HA       SER  40  -0.434   9.772   0.354
  270   1HB   SER  40          1HB       SER  40  -1.908  11.291   1.597
  271   2HB   SER  40          2HB       SER  40  -2.390   9.629   1.877
  272    HG   SER  40           HG       SER  40  -0.671  11.128   3.663
  273    H    ARG  41           H        ARG  41   2.140   9.292   2.097
  274    HA   ARG  41           HA       ARG  41   2.869  11.669   3.247
  275   1HB   ARG  41          1HB       ARG  41   4.024   9.219   3.023
  276   2HB   ARG  41          2HB       ARG  41   4.972  10.057   1.811
  277   1HG   ARG  41          1HG       ARG  41   5.328  11.902   3.624
  278   2HG   ARG  41          2HG       ARG  41   4.718  10.723   4.769
  279   1HD   ARG  41          1HD       ARG  41   6.543   9.235   4.414
  280   2HD   ARG  41          2HD       ARG  41   6.951   9.947   2.865
  281    HE   ARG  41           HE       ARG  41   7.192  11.820   5.111
  282   1HH1  ARG  41          1HH1      ARG  41   8.840   9.369   3.198
  283   2HH1  ARG  41          2HH1      ARG  41  10.425   9.941   3.596
  284   1HH2  ARG  41          1HH2      ARG  41   9.284  12.576   5.636
  285   2HH2  ARG  41          2HH2      ARG  41  10.680  11.778   4.992
  286    H    ILE  42           H        ILE  42   3.390  10.419  -0.120
  287    HA   ILE  42           HA       ILE  42   3.580  13.170  -1.030
  288    HB   ILE  42           HB       ILE  42   5.581  12.019  -2.490
  289   1HG1  ILE  42          1HG1      ILE  42   7.153  11.027  -0.851
  290   2HG1  ILE  42          2HG1      ILE  42   5.892  11.046   0.365
  291   1HG2  ILE  42          1HG2      ILE  42   5.295  14.044  -0.408
  292   2HG2  ILE  42          2HG2      ILE  42   6.921  13.320  -0.448
  293   3HG2  ILE  42          3HG2      ILE  42   6.243  14.067  -1.915
  294   1HD1  ILE  42          1HD1      ILE  42   5.034   9.794  -2.179
  295   2HD1  ILE  42          2HD1      ILE  42   6.383   8.952  -1.380
  296   3HD1  ILE  42          3HD1      ILE  42   4.854   9.210  -0.507
  297    HA   PRO  43           HA       PRO  43   1.130  11.320  -4.087
  298   1HB   PRO  43          1HB       PRO  43   0.845  13.467  -5.755
  299   2HB   PRO  43          2HB       PRO  43  -0.133  13.231  -4.320
  300   1HG   PRO  43          1HG       PRO  43   2.106  15.113  -4.749
  301   2HG   PRO  43          2HG       PRO  43   0.864  15.149  -3.513
  302   1HD   PRO  43          1HD       PRO  43   3.588  14.313  -3.184
  303   2HD   PRO  43          2HD       PRO  43   2.316  14.240  -1.980
  304    H    GLY  44           H        GLY  44   4.012  13.068  -5.018
  305   1HA   GLY  44          1HA       GLY  44   5.671  12.373  -6.401
  306   2HA   GLY  44          2HA       GLY  44   4.383  12.422  -7.588
  307    H    VAL  45           H        VAL  45   4.775  10.165  -4.784
  308    HA   VAL  45           HA       VAL  45   5.399   8.016  -6.643
  309    HB   VAL  45           HB       VAL  45   6.297   6.910  -4.868
  310   1HG1  VAL  45          1HG1      VAL  45   7.020   9.522  -5.081
  311   2HG1  VAL  45          2HG1      VAL  45   6.575   9.444  -3.359
  312   3HG1  VAL  45          3HG1      VAL  45   7.818   8.347  -4.008
  313   1HG2  VAL  45          1HG2      VAL  45   4.203   8.280  -3.180
  314   2HG2  VAL  45          2HG2      VAL  45   4.468   6.541  -3.452
  315   3HG2  VAL  45          3HG2      VAL  45   5.602   7.466  -2.439
  316    HA   PRO  46           HA       PRO  46   1.496   6.174  -6.358
  317   1HB   PRO  46          1HB       PRO  46   1.961   3.504  -6.006
  318   2HB   PRO  46          2HB       PRO  46   2.124   4.309  -7.554
  319   1HG   PRO  46          1HG       PRO  46   4.244   3.380  -5.715
  320   2HG   PRO  46          2HG       PRO  46   4.367   3.787  -7.415
  321   1HD   PRO  46          1HD       PRO  46   5.219   5.396  -5.199
  322   2HD   PRO  46          2HD       PRO  46   5.234   5.851  -6.892
  323    H    TRP  47           H        TRP  47   0.542   7.233  -4.626
  324    HA   TRP  47           HA       TRP  47   0.932   6.929  -2.039
  325   1HB   TRP  47          1HB       TRP  47  -1.545   7.229  -3.656
  326   2HB   TRP  47          2HB       TRP  47  -1.741   6.851  -1.956
  327    HD1  TRP  47           HD1      TRP  47   1.166   9.136  -3.032
  328    HE1  TRP  47           HE1      TRP  47   0.827  11.600  -2.150
  329    HE3  TRP  47           HE3      TRP  47  -3.568   8.429  -1.316
  330    HZ2  TRP  47           HZ2      TRP  47  -1.336  12.946  -0.863
  331    HZ3  TRP  47           HZ3      TRP  47  -4.723  10.370  -0.260
  332    HH2  TRP  47           HH2      TRP  47  -3.682  12.569  -0.021
  333    H    CYS  48           H        CYS  48  -1.010   4.614  -4.062
  334    HA   CYS  48           HA       CYS  48  -0.931   2.733  -1.852
  335   1HB   CYS  48          1HB       CYS  48  -3.026   3.307  -3.237
  336   2HB   CYS  48          2HB       CYS  48  -2.314   2.315  -4.495
  337    H    PHE  49           H        PHE  49   0.902   1.474  -1.769
  338    HA   PHE  49           HA       PHE  49   1.881   0.427  -4.326
  339   1HB   PHE  49          1HB       PHE  49   4.190   0.631  -3.113
  340   2HB   PHE  49          2HB       PHE  49   3.471   2.134  -3.656
  341    HD1  PHE  49           HD1      PHE  49   3.646  -0.059  -0.646
  342    HD2  PHE  49           HD2      PHE  49   3.239   3.886  -2.155
  343    HE1  PHE  49           HE1      PHE  49   3.780   0.848   1.690
  344    HE2  PHE  49           HE2      PHE  49   3.373   4.793   0.181
  345    HZ   PHE  49           HZ       PHE  49   3.641   3.264   2.076
  346    H    LYS  50           H        LYS  50   3.270  -1.580  -4.016
  347    HA   LYS  50           HA       LYS  50   1.861  -3.405  -2.397
  348   1HB   LYS  50          1HB       LYS  50   4.534  -3.780  -3.776
  349   2HB   LYS  50          2HB       LYS  50   3.440  -5.040  -3.241
  350   1HG   LYS  50          1HG       LYS  50   1.664  -3.917  -4.782
  351   2HG   LYS  50          2HG       LYS  50   2.999  -3.015  -5.472
  352   1HD   LYS  50          1HD       LYS  50   2.943  -4.868  -6.899
  353   2HD   LYS  50          2HD       LYS  50   4.138  -5.393  -5.729
  354   1HE   LYS  50          1HE       LYS  50   2.623  -6.858  -4.634
  355   2HE   LYS  50          2HE       LYS  50   1.211  -6.019  -5.246
  356   1HZ   LYS  50          1HZ       LYS  50   2.131  -6.765  -7.507
  357   2HZ   LYS  50          2HZ       LYS  50   2.963  -7.874  -6.644
  358   3HZ   LYS  50          3HZ       LYS  50   1.332  -7.846  -6.580
  359    HA   PRO  51           HA       PRO  51   4.128  -3.318   1.274
  360   1HB   PRO  51          1HB       PRO  51   4.222  -5.932   2.066
  361   2HB   PRO  51          2HB       PRO  51   2.805  -4.920   2.265
  362   1HG   PRO  51          1HG       PRO  51   3.283  -7.074   0.298
  363   2HG   PRO  51          2HG       PRO  51   1.763  -6.356   0.791
  364   1HD   PRO  51          1HD       PRO  51   3.190  -5.850  -1.645
  365   2HD   PRO  51          2HD       PRO  51   1.731  -5.047  -1.099
  366    H    LEU  52           H        LEU  52   6.154  -2.631   1.485
  367    HA   LEU  52           HA       LEU  52   8.213  -3.200  -0.046
  368   1HB   LEU  52          1HB       LEU  52   8.407  -1.623   1.702
  369   2HB   LEU  52          2HB       LEU  52   8.152  -2.835   2.942
  370    HG   LEU  52           HG       LEU  52  10.582  -2.702   1.134
  371   1HD1  LEU  52          1HD1      LEU  52   9.949  -1.405   3.725
  372   2HD1  LEU  52          2HD1      LEU  52  11.557  -2.154   3.581
  373   3HD1  LEU  52          3HD1      LEU  52  11.049  -0.904   2.419
  374   1HD2  LEU  52          1HD2      LEU  52   9.602  -4.689   3.064
  375   2HD2  LEU  52          2HD2      LEU  52  10.798  -4.841   1.755
  376   3HD2  LEU  52          3HD2      LEU  52  11.285  -4.176   3.333
  377    H    GLN  53           H        GLN  53   9.473  -4.890  -0.669
  378    HA   GLN  53           HA       GLN  53   8.728  -7.451  -0.015
  379   1HB   GLN  53          1HB       GLN  53  11.097  -7.993  -1.013
  380   2HB   GLN  53          2HB       GLN  53   9.882  -7.259  -2.041
  381   1HG   GLN  53          1HG       GLN  53  11.480  -5.268  -0.536
  382   2HG   GLN  53          2HG       GLN  53  12.454  -6.265  -1.599
  383   2HE2  GLN  53          2HE2      GLN  53  11.097  -3.418  -1.478
  384   1HE2  GLN  53          1HE2      GLN  53  10.568  -3.159  -3.108
  385    H    GLU  54           H        GLU  54   8.612  -7.642   2.304
  386    HA   GLU  54           HA       GLU  54  10.934  -7.135   3.843
  387   1HB   GLU  54          1HB       GLU  54   8.175  -7.516   4.335
  388   2HB   GLU  54          2HB       GLU  54   8.959  -8.859   5.143
  389   1HG   GLU  54          1HG       GLU  54  10.030  -7.502   6.676
  390   2HG   GLU  54          2HG       GLU  54  10.294  -6.214   5.518
  391    H    ALA  55           H        ALA  55  12.048  -8.672   2.022
  392    HA   ALA  55           HA       ALA  55  11.926 -11.438   2.975
  393   1HB   ALA  55          1HB       ALA  55  11.693 -11.547   0.683
  394   2HB   ALA  55          2HB       ALA  55  13.469 -11.594   0.794
  395   3HB   ALA  55          3HB       ALA  55  12.642 -10.066   0.406
  396    H    GLU  56           H        GLU  56  13.029 -10.400   4.995
  397    HA   GLU  56           HA       GLU  56  14.826  -9.822   6.133
  398   1HB   GLU  56          1HB       GLU  56  15.324 -12.412   4.770
  399   2HB   GLU  56          2HB       GLU  56  16.770 -11.657   5.411
  400   1HG   GLU  56          1HG       GLU  56  16.069 -11.841   7.620
  401   2HG   GLU  56          2HG       GLU  56  14.373 -11.662   7.215
  402    H    CYS  57           H        CYS  57  14.823  -7.835   4.479
  403    HA   CYS  57           HA       CYS  57  16.174  -6.271   3.685
  404   1HB   CYS  57          1HB       CYS  57  18.029  -7.904   4.911
  405   2HB   CYS  57          2HB       CYS  57  18.622  -7.826   3.264
  406    H    THR  58           H        THR  58  17.409  -9.403   2.281
  407    HA   THR  58           HA       THR  58  15.978  -9.074  -0.141
  408    HB   THR  58           HB       THR  58  17.744  -7.247  -0.342
  409    HG1  THR  58           HG1      THR  58  18.034  -9.649  -2.007
  410   1HG2  THR  58          1HG2      THR  58  19.574  -9.704  -0.341
  411   2HG2  THR  58          2HG2      THR  58  20.053  -8.105  -0.957
  412   3HG2  THR  58          3HG2      THR  58  19.670  -8.315   0.768
  413    H    PHE  59           H        PHE  59  15.972 -10.946  -1.367
  414    HA   PHE  59           HA       PHE  59  16.283 -13.306  -0.218
  415   1HB   PHE  59          1HB       PHE  59  16.176 -12.172  -2.900
  416   2HB   PHE  59          2HB       PHE  59  17.324 -13.495  -2.938
  417    HD1  PHE  59           HD1      PHE  59  16.579 -15.791  -2.336
  418    HD2  PHE  59           HD2      PHE  59  13.833 -12.576  -2.700
  419    HE1  PHE  59           HE1      PHE  59  14.685 -17.429  -2.512
  420    HE2  PHE  59           HE2      PHE  59  11.939 -14.214  -2.875
  421    HZ   PHE  59           HZ       PHE  59  12.388 -16.621  -2.779

  No H/Q in entry =         421
  Start of MODEL   45
    1    H    GLU   1           H        GLU   1   3.996 -10.724  14.238
    2    HA   GLU   1           HA       GLU   1   2.674 -11.451  16.488
    3   1HB   GLU   1          1HB       GLU   1   3.797  -8.894  16.910
    4   2HB   GLU   1          2HB       GLU   1   2.112  -8.576  16.552
    5   1HG   GLU   1          1HG       GLU   1   1.335  -9.811  18.404
    6   2HG   GLU   1          2HG       GLU   1   2.775 -10.807  18.481
    7    H    GLU   2           H        GLU   2   2.108  -8.408  14.593
    8    HA   GLU   2           HA       GLU   2  -0.394  -9.471  13.738
    9   1HB   GLU   2          1HB       GLU   2   0.557  -6.928  14.246
   10   2HB   GLU   2          2HB       GLU   2   0.583  -6.955  12.494
   11   1HG   GLU   2          1HG       GLU   2  -1.620  -6.327  12.748
   12   2HG   GLU   2          2HG       GLU   2  -1.864  -8.058  12.862
   13    H    TYR   3           H        TYR   3  -0.834  -8.683  11.175
   14    HA   TYR   3           HA       TYR   3   1.308  -9.205   9.409
   15   1HB   TYR   3          1HB       TYR   3   0.418 -11.450   8.656
   16   2HB   TYR   3          2HB       TYR   3   0.920 -11.514  10.334
   17    HD1  TYR   3           HD1      TYR   3  -1.041 -10.909  12.076
   18    HD2  TYR   3           HD2      TYR   3  -1.636 -12.379   8.103
   19    HE1  TYR   3           HE1      TYR   3  -3.348 -11.757  12.728
   20    HE2  TYR   3           HE2      TYR   3  -3.941 -13.222   8.767
   21    HH   TYR   3           HH       TYR   3  -5.653 -12.287  10.897
   22    H    VAL   4           H        VAL   4   0.607  -7.473   8.170
   23    HA   VAL   4           HA       VAL   4  -0.571  -6.438   6.611
   24    HB   VAL   4           HB       VAL   4  -2.307  -8.912   6.520
   25   1HG1  VAL   4          1HG1      VAL   4  -2.109  -6.441   4.880
   26   2HG1  VAL   4          2HG1      VAL   4  -2.259  -7.973   3.987
   27   3HG1  VAL   4          3HG1      VAL   4  -3.496  -7.514   5.182
   28   1HG2  VAL   4          1HG2      VAL   4   0.404  -8.872   6.097
   29   2HG2  VAL   4          2HG2      VAL   4  -0.732 -10.027   5.358
   30   3HG2  VAL   4          3HG2      VAL   4  -0.227  -8.576   4.458
   31    H    GLY   5           H        GLY   5  -1.193  -6.442   9.580
   32   1HA   GLY   5          1HA       GLY   5  -3.560  -6.358  10.577
   33   2HA   GLY   5          2HA       GLY   5  -3.831  -5.154   9.332
   34    H    LEU   6           H        LEU   6  -0.663  -4.647   9.809
   35    HA   LEU   6           HA       LEU   6  -1.085  -2.939  12.161
   36   1HB   LEU   6          1HB       LEU   6   1.169  -3.189  12.720
   37   2HB   LEU   6          2HB       LEU   6   0.581  -4.798  12.351
   38    HG   LEU   6           HG       LEU   6   1.689  -3.623   9.963
   39   1HD1  LEU   6          1HD1      LEU   6   3.097  -2.943  12.419
   40   2HD1  LEU   6          2HD1      LEU   6   4.102  -3.906  11.308
   41   3HD1  LEU   6          3HD1      LEU   6   3.363  -2.385  10.750
   42   1HD2  LEU   6          1HD2      LEU   6   1.339  -6.061  10.611
   43   2HD2  LEU   6          2HD2      LEU   6   2.880  -5.647   9.821
   44   3HD2  LEU   6          3HD2      LEU   6   2.822  -5.906  11.581
   45    H    SER   7           H        SER   7  -0.002  -3.179   8.772
   46    HA   SER   7           HA       SER   7   0.515  -1.682   7.284
   47   1HB   SER   7          1HB       SER   7  -0.939   0.182   7.045
   48   2HB   SER   7          2HB       SER   7  -1.884  -1.005   7.922
   49    HG   SER   7           HG       SER   7  -1.575   0.126   9.858
   50    H    ALA   8           H        ALA   8   2.718  -1.246   7.453
   51    HA   ALA   8           HA       ALA   8   3.654   1.208   8.072
   52   1HB   ALA   8          1HB       ALA   8   3.089  -0.324  10.501
   53   2HB   ALA   8          2HB       ALA   8   4.800   0.155  10.398
   54   3HB   ALA   8          3HB       ALA   8   3.523   1.392  10.315
   55    H    ASN   9           H        ASN   9   5.042  -1.768   9.563
   56    HA   ASN   9           HA       ASN   9   7.469  -1.528   8.435
   57   1HB   ASN   9          1HB       ASN   9   6.247  -3.366  10.079
   58   2HB   ASN   9          2HB       ASN   9   6.415  -4.335   8.628
   59   2HD2  ASN   9          2HD2      ASN   9   8.141  -2.305  10.939
   60   1HD2  ASN   9          1HD2      ASN   9   9.705  -3.028  10.765
   61    H    GLN  10           H        GLN  10   4.527  -3.230   7.180
   62    HA   GLN  10           HA       GLN  10   5.848  -4.208   4.890
   63   1HB   GLN  10          1HB       GLN  10   3.427  -4.659   4.134
   64   2HB   GLN  10          2HB       GLN  10   3.955  -5.451   5.605
   65   1HG   GLN  10          1HG       GLN  10   2.745  -2.735   5.962
   66   2HG   GLN  10          2HG       GLN  10   1.648  -3.986   5.412
   67   2HE2  GLN  10          2HE2      GLN  10   1.275  -5.819   6.671
   68   1HE2  GLN  10          1HE2      GLN  10   1.605  -5.870   8.371
   69    H    CYS  11           H        CYS  11   4.099  -1.239   5.757
   70    HA   CYS  11           HA       CYS  11   4.343  -0.369   2.971
   71   1HB   CYS  11          1HB       CYS  11   2.679   1.174   4.889
   72   2HB   CYS  11          2HB       CYS  11   2.463   0.897   3.172
   73    H    ALA  12           H        ALA  12   6.682  -0.460   4.507
   74    HA   ALA  12           HA       ALA  12   7.038   2.354   5.289
   75   1HB   ALA  12          1HB       ALA  12   9.015   1.315   6.617
   76   2HB   ALA  12          2HB       ALA  12   7.366   1.079   7.245
   77   3HB   ALA  12          3HB       ALA  12   8.179  -0.236   6.363
   78    H    VAL  13           H        VAL  13   7.127   2.139   2.663
   79    HA   VAL  13           HA       VAL  13   9.858   1.445   1.899
   80    HB   VAL  13           HB       VAL  13   7.962   2.401  -0.137
   81   1HG1  VAL  13          1HG1      VAL  13  10.179   0.516   0.160
   82   2HG1  VAL  13          2HG1      VAL  13   8.827  -0.158  -0.781
   83   3HG1  VAL  13          3HG1      VAL  13   9.587   1.370  -1.285
   84   1HG2  VAL  13          1HG2      VAL  13   7.292   0.080   1.655
   85   2HG2  VAL  13          2HG2      VAL  13   6.228   1.333   0.974
   86   3HG2  VAL  13          3HG2      VAL  13   6.851   0.032  -0.069
   87    HA   PRO  14           HA       PRO  14  10.991   5.610   1.697
   88   1HB   PRO  14          1HB       PRO  14  13.045   5.528  -0.104
   89   2HB   PRO  14          2HB       PRO  14  13.227   5.073   1.578
   90   1HG   PRO  14          1HG       PRO  14  13.071   3.332  -0.806
   91   2HG   PRO  14          2HG       PRO  14  13.667   2.948   0.796
   92   1HD   PRO  14          1HD       PRO  14  11.138   2.187  -0.321
   93   2HD   PRO  14          2HD       PRO  14  11.687   1.903   1.319
   94    H    ALA  15           H        ALA  15   9.234   4.191  -0.595
   95    HA   ALA  15           HA       ALA  15   7.814   5.190  -2.025
   96   1HB   ALA  15          1HB       ALA  15   8.768   7.409  -0.709
   97   2HB   ALA  15          2HB       ALA  15   7.561   7.445  -2.016
   98   3HB   ALA  15          3HB       ALA  15   9.279   7.735  -2.382
   99    H    LYS  16           H        LYS  16  11.335   5.288  -2.279
  100    HA   LYS  16           HA       LYS  16  11.223   5.402  -5.172
  101   1HB   LYS  16          1HB       LYS  16  13.647   5.469  -5.048
  102   2HB   LYS  16          2HB       LYS  16  12.948   6.665  -3.975
  103   1HG   LYS  16          1HG       LYS  16  14.533   5.703  -2.556
  104   2HG   LYS  16          2HG       LYS  16  13.125   4.742  -2.152
  105   1HD   LYS  16          1HD       LYS  16  13.853   2.902  -3.537
  106   2HD   LYS  16          2HD       LYS  16  15.068   3.882  -4.333
  107   1HE   LYS  16          1HE       LYS  16  15.867   4.157  -1.717
  108   2HE   LYS  16          2HE       LYS  16  15.154   2.558  -1.653
  109   1HZ   LYS  16          1HZ       LYS  16  16.681   2.736  -3.962
  110   2HZ   LYS  16          2HZ       LYS  16  17.597   3.284  -2.727
  111   3HZ   LYS  16          3HZ       LYS  16  16.938   1.792  -2.654
  112    H    ASP  17           H        ASP  17  10.309   3.116  -3.091
  113    HA   ASP  17           HA       ASP  17  11.447   1.028  -4.770
  114   1HB   ASP  17          1HB       ASP  17  11.799   1.386  -1.938
  115   2HB   ASP  17          2HB       ASP  17  10.746   0.001  -2.149
  116    H    ARG  18           H        ARG  18   8.837   2.688  -4.597
  117    HA   ARG  18           HA       ARG  18   6.901   0.890  -3.603
  118   1HB   ARG  18          1HB       ARG  18   6.389   3.194  -5.535
  119   2HB   ARG  18          2HB       ARG  18   5.282   2.532  -4.348
  120   1HG   ARG  18          1HG       ARG  18   7.918   3.669  -3.396
  121   2HG   ARG  18          2HG       ARG  18   6.641   4.779  -3.852
  122   1HD   ARG  18          1HD       ARG  18   5.312   2.873  -2.261
  123   2HD   ARG  18          2HD       ARG  18   6.859   3.066  -1.460
  124    HE   ARG  18           HE       ARG  18   5.405   5.545  -2.231
  125   1HH1  ARG  18          1HH1      ARG  18   6.412   3.320   0.302
  126   2HH1  ARG  18          2HH1      ARG  18   6.080   4.432   1.587
  127   1HH2  ARG  18          1HH2      ARG  18   4.966   7.012  -0.536
  128   2HH2  ARG  18          2HH2      ARG  18   5.252   6.546   1.108
  129    H    VAL  19           H        VAL  19   5.622  -0.608  -4.752
  130    HA   VAL  19           HA       VAL  19   6.529  -1.151  -7.465
  131    HB   VAL  19           HB       VAL  19   4.628  -2.811  -5.829
  132   1HG1  VAL  19          1HG1      VAL  19   5.674  -3.070  -8.396
  133   2HG1  VAL  19          2HG1      VAL  19   6.676  -4.164  -7.412
  134   3HG1  VAL  19          3HG1      VAL  19   4.906  -4.352  -7.430
  135   1HG2  VAL  19          1HG2      VAL  19   6.574  -2.277  -4.394
  136   2HG2  VAL  19          2HG2      VAL  19   6.511  -3.999  -4.840
  137   3HG2  VAL  19          3HG2      VAL  19   7.659  -2.909  -5.655
  138    H    ASP  20           H        ASP  20   4.228   0.754  -5.957
  139    HA   ASP  20           HA       ASP  20   2.311   1.608  -6.518
  140   1HB   ASP  20          1HB       ASP  20   3.414   2.589  -8.389
  141   2HB   ASP  20          2HB       ASP  20   3.558   1.056  -9.226
  142    H    CYS  21           H        CYS  21   0.684   0.173  -5.765
  143    HA   CYS  21           HA       CYS  21   0.189  -2.307  -7.001
  144   1HB   CYS  21          1HB       CYS  21  -0.414  -1.220  -4.593
  145   2HB   CYS  21          2HB       CYS  21  -1.964  -1.063  -5.395
  146    H    GLY  22           H        GLY  22  -0.894   1.038  -7.458
  147   1HA   GLY  22          1HA       GLY  22  -2.119   0.413  -9.956
  148   2HA   GLY  22          2HA       GLY  22  -2.057   1.970  -9.155
  149    H    TYR  23           H        TYR  23  -3.736   2.606  -7.678
  150    HA   TYR  23           HA       TYR  23  -6.168   1.009  -8.019
  151   1HB   TYR  23          1HB       TYR  23  -4.652   1.924  -5.550
  152   2HB   TYR  23          2HB       TYR  23  -6.400   2.024  -5.466
  153    HD1  TYR  23           HD1      TYR  23  -7.685  -0.192  -6.197
  154    HD2  TYR  23           HD2      TYR  23  -3.611  -0.052  -4.897
  155    HE1  TYR  23           HE1      TYR  23  -7.789  -2.657  -5.582
  156    HE2  TYR  23           HE2      TYR  23  -3.729  -2.517  -4.287
  157    HH   TYR  23           HH       TYR  23  -6.062  -4.536  -5.391
  158    HA   PRO  24           HA       PRO  24  -7.877   4.912  -8.786
  159   1HB   PRO  24          1HB       PRO  24 -10.538   4.366  -8.488
  160   2HB   PRO  24          2HB       PRO  24  -9.640   3.987  -9.944
  161   1HG   PRO  24          1HG       PRO  24 -10.574   2.161  -7.815
  162   2HG   PRO  24          2HG       PRO  24 -10.065   1.776  -9.447
  163   1HD   PRO  24          1HD       PRO  24  -8.547   1.401  -7.042
  164   2HD   PRO  24          2HD       PRO  24  -7.996   1.125  -8.683
  165    H    HIS  25           H        HIS  25 -10.084   3.695  -6.325
  166    HA   HIS  25           HA       HIS  25  -9.723   6.213  -4.951
  167   1HB   HIS  25          1HB       HIS  25 -11.671   5.618  -3.700
  168   2HB   HIS  25          2HB       HIS  25 -11.983   5.298  -5.395
  169    HD1  HIS  25           HD1      HIS  25 -13.751   3.868  -3.415
  170    HD2  HIS  25           HD2      HIS  25 -10.106   2.272  -4.741
  171    HE1  HIS  25           HE1      HIS  25 -13.896   1.348  -3.041
  172    HE2  HIS  25           HE2      HIS  25 -11.649   0.416  -3.924
  173    H    VAL  26           H        VAL  26  -7.540   5.956  -4.191
  174    HA   VAL  26           HA       VAL  26  -7.108   3.736  -2.352
  175    HB   VAL  26           HB       VAL  26  -4.765   4.566  -2.389
  176   1HG1  VAL  26          1HG1      VAL  26  -6.032   3.928  -5.074
  177   2HG1  VAL  26          2HG1      VAL  26  -4.291   3.836  -4.717
  178   3HG1  VAL  26          3HG1      VAL  26  -5.431   2.763  -3.871
  179   1HG2  VAL  26          1HG2      VAL  26  -5.764   6.939  -3.228
  180   2HG2  VAL  26          2HG2      VAL  26  -4.077   6.432  -3.479
  181   3HG2  VAL  26          3HG2      VAL  26  -5.268   6.241  -4.788
  182    H    THR  27           H        THR  27  -6.792   4.004  -0.138
  183    HA   THR  27           HA       THR  27  -6.627   6.674   0.951
  184    HB   THR  27           HB       THR  27  -8.753   6.708   1.992
  185    HG1  THR  27           HG1      THR  27  -8.403   3.855   1.549
  186   1HG2  THR  27          1HG2      THR  27  -9.213   5.033  -0.534
  187   2HG2  THR  27          2HG2      THR  27 -10.480   5.907   0.360
  188   3HG2  THR  27          3HG2      THR  27  -9.187   6.812  -0.464
  189    HA   PRO  28           HA       PRO  28  -4.683   4.611   4.179
  190   1HB   PRO  28          1HB       PRO  28  -5.484   5.875   6.466
  191   2HB   PRO  28          2HB       PRO  28  -4.288   6.541   5.372
  192   1HG   PRO  28          1HG       PRO  28  -7.110   7.341   5.741
  193   2HG   PRO  28          2HG       PRO  28  -5.804   8.237   4.991
  194   1HD   PRO  28          1HD       PRO  28  -7.927   6.850   3.649
  195   2HD   PRO  28          2HD       PRO  28  -6.558   7.647   2.900
  196    H    LYS  29           H        LYS  29  -6.992   3.261   3.244
  197    HA   LYS  29           HA       LYS  29  -7.167   1.322   5.223
  198   1HB   LYS  29          1HB       LYS  29  -8.521   3.350   6.221
  199   2HB   LYS  29          2HB       LYS  29  -9.777   2.804   5.128
  200   1HG   LYS  29          1HG       LYS  29  -8.368   0.812   6.933
  201   2HG   LYS  29          2HG       LYS  29  -9.660   1.809   7.571
  202   1HD   LYS  29          1HD       LYS  29 -10.008   0.176   5.023
  203   2HD   LYS  29          2HD       LYS  29 -10.312  -0.512   6.606
  204   1HE   LYS  29          1HE       LYS  29 -11.637   2.069   5.661
  205   2HE   LYS  29          2HE       LYS  29 -12.351   0.491   5.393
  206   1HZ   LYS  29          1HZ       LYS  29 -11.658   0.529   8.027
  207   2HZ   LYS  29          2HZ       LYS  29 -12.283   2.013   7.755
  208   3HZ   LYS  29          3HZ       LYS  29 -13.165   0.681   7.416
  209    H    GLU  30           H        GLU  30  -9.183   3.026   2.728
  210    HA   GLU  30           HA       GLU  30 -10.307   0.684   1.760
  211   1HB   GLU  30          1HB       GLU  30 -11.226   2.952   1.348
  212   2HB   GLU  30          2HB       GLU  30  -9.840   3.350   0.352
  213   1HG   GLU  30          1HG       GLU  30 -10.631   2.174  -1.450
  214   2HG   GLU  30          2HG       GLU  30 -11.174   0.831  -0.463
  215    H    CYS  31           H        CYS  31  -7.246   2.380   1.053
  216    HA   CYS  31           HA       CYS  31  -6.710   0.845  -1.281
  217   1HB   CYS  31          1HB       CYS  31  -5.649   2.868  -1.373
  218   2HB   CYS  31          2HB       CYS  31  -5.270   2.888   0.338
  219    H    ASN  32           H        ASN  32  -6.009   0.716   2.233
  220    HA   ASN  32           HA       ASN  32  -4.225  -1.493   1.869
  221   1HB   ASN  32          1HB       ASN  32  -5.367  -0.572   4.537
  222   2HB   ASN  32          2HB       ASN  32  -3.805  -1.303   4.225
  223   2HD2  ASN  32          2HD2      ASN  32  -5.769   1.580   3.895
  224   1HD2  ASN  32          1HD2      ASN  32  -4.488   2.726   3.683
  225    H    ASN  33           H        ASN  33  -7.511  -1.120   1.665
  226    HA   ASN  33           HA       ASN  33  -8.118  -3.502   3.210
  227   1HB   ASN  33          1HB       ASN  33  -9.596  -1.565   3.626
  228   2HB   ASN  33          2HB       ASN  33  -9.907  -1.382   1.911
  229   2HD2  ASN  33          2HD2      ASN  33 -10.730  -2.969   4.818
  230   1HD2  ASN  33          1HD2      ASN  33 -11.988  -4.005   4.229
  231    H    ARG  34           H        ARG  34  -8.181  -1.980  -0.050
  232    HA   ARG  34           HA       ARG  34  -9.628  -3.923  -1.349
  233   1HB   ARG  34          1HB       ARG  34  -8.544  -1.538  -2.077
  234   2HB   ARG  34          2HB       ARG  34  -7.345  -2.593  -2.800
  235   1HG   ARG  34          1HG       ARG  34 -10.356  -2.769  -3.293
  236   2HG   ARG  34          2HG       ARG  34  -9.201  -2.034  -4.386
  237   1HD   ARG  34          1HD       ARG  34  -7.973  -4.387  -4.244
  238   2HD   ARG  34          2HD       ARG  34  -9.527  -4.963  -3.675
  239    HE   ARG  34           HE       ARG  34  -8.881  -4.078  -6.391
  240   1HH1  ARG  34          1HH1      ARG  34 -11.476  -4.582  -4.069
  241   2HH1  ARG  34          2HH1      ARG  34 -12.704  -4.736  -5.281
  242   1HH2  ARG  34          1HH2      ARG  34 -10.500  -4.281  -7.991
  243   2HH2  ARG  34          2HH2      ARG  34 -12.144  -4.564  -7.527
  244    H    GLY  35           H        GLY  35  -6.266  -3.816  -0.236
  245   1HA   GLY  35          1HA       GLY  35  -5.747  -6.393  -1.598
  246   2HA   GLY  35          2HA       GLY  35  -5.348  -6.099   0.083
  247    H    CYS  36           H        CYS  36  -3.868  -4.141   0.533
  248    HA   CYS  36           HA       CYS  36  -1.478  -4.466  -0.684
  249   1HB   CYS  36          1HB       CYS  36  -3.167  -3.111  -2.487
  250   2HB   CYS  36          2HB       CYS  36  -2.086  -1.892  -1.843
  251    H    CYS  37           H        CYS  37  -0.587  -1.652  -0.674
  252    HA   CYS  37           HA       CYS  37  -1.235  -0.975   2.103
  253   1HB   CYS  37          1HB       CYS  37   1.391  -1.190   0.707
  254   2HB   CYS  37          2HB       CYS  37   1.196   0.095   1.882
  255    H    PHE  38           H        PHE  38  -1.196   1.378   2.562
  256    HA   PHE  38           HA       PHE  38  -1.595   2.946   0.110
  257   1HB   PHE  38          1HB       PHE  38  -3.662   2.610   1.450
  258   2HB   PHE  38          2HB       PHE  38  -2.818   3.024   2.929
  259    HD1  PHE  38           HD1      PHE  38  -4.171   4.386  -0.218
  260    HD2  PHE  38           HD2      PHE  38  -2.526   5.298   3.586
  261    HE1  PHE  38           HE1      PHE  38  -4.869   6.781  -0.491
  262    HE2  PHE  38           HE2      PHE  38  -3.223   7.694   3.313
  263    HZ   PHE  38           HZ       PHE  38  -4.386   8.407   1.278
  264    H    ASP  39           H        ASP  39  -1.403   5.456   0.721
  265    HA   ASP  39           HA       ASP  39   0.225   6.229   2.780
  266   1HB   ASP  39          1HB       ASP  39   1.999   4.890   1.707
  267   2HB   ASP  39          2HB       ASP  39   1.713   5.683   0.171
  268    H    SER  40           H        SER  40   0.396   8.560   2.719
  269    HA   SER  40           HA       SER  40  -0.374   9.785   0.198
  270   1HB   SER  40          1HB       SER  40  -1.905  11.319   1.363
  271   2HB   SER  40          2HB       SER  40  -2.400   9.657   1.615
  272    HG   SER  40           HG       SER  40  -2.486  10.643   3.634
  273    H    ARG  41           H        ARG  41   2.152   9.352   1.961
  274    HA   ARG  41           HA       ARG  41   2.797  11.770   3.128
  275   1HB   ARG  41          1HB       ARG  41   3.963   9.332   3.090
  276   2HB   ARG  41          2HB       ARG  41   4.952  10.080   1.851
  277   1HG   ARG  41          1HG       ARG  41   5.688  11.830   3.364
  278   2HG   ARG  41          2HG       ARG  41   4.490  11.390   4.565
  279   1HD   ARG  41          1HD       ARG  41   5.670   9.051   4.604
  280   2HD   ARG  41          2HD       ARG  41   6.984   9.844   3.760
  281    HE   ARG  41           HE       ARG  41   6.186  11.378   6.086
  282   1HH1  ARG  41          1HH1      ARG  41   8.009   8.532   5.106
  283   2HH1  ARG  41          2HH1      ARG  41   9.049   8.565   6.491
  284   1HH2  ARG  41          1HH2      ARG  41   7.558  11.421   7.913
  285   2HH2  ARG  41          2HH2      ARG  41   8.791  10.219   8.098
  286    H    ILE  42           H        ILE  42   3.357  10.438  -0.188
  287    HA   ILE  42           HA       ILE  42   3.691  13.157  -1.144
  288    HB   ILE  42           HB       ILE  42   5.662  11.873  -2.547
  289   1HG1  ILE  42          1HG1      ILE  42   7.167  10.887  -0.834
  290   2HG1  ILE  42          2HG1      ILE  42   5.873  10.984   0.345
  291   1HG2  ILE  42          1HG2      ILE  42   5.478  14.200  -1.424
  292   2HG2  ILE  42          2HG2      ILE  42   6.292  13.420  -0.046
  293   3HG2  ILE  42          3HG2      ILE  42   7.085  13.465  -1.640
  294   1HD1  ILE  42          1HD1      ILE  42   5.063   9.683  -2.196
  295   2HD1  ILE  42          2HD1      ILE  42   6.338   8.817  -1.304
  296   3HD1  ILE  42          3HD1      ILE  42   4.782   9.170  -0.515
  297    HA   PRO  43           HA       PRO  43   1.178  11.321  -4.166
  298   1HB   PRO  43          1HB       PRO  43   0.865  13.492  -5.796
  299   2HB   PRO  43          2HB       PRO  43  -0.099  13.227  -4.357
  300   1HG   PRO  43          1HG       PRO  43   2.124  15.131  -4.774
  301   2HG   PRO  43          2HG       PRO  43   0.892  15.138  -3.528
  302   1HD   PRO  43          1HD       PRO  43   3.624  14.315  -3.235
  303   2HD   PRO  43          2HD       PRO  43   2.363  14.214  -2.022
  304    H    GLY  44           H        GLY  44   4.032  13.115  -5.104
  305   1HA   GLY  44          1HA       GLY  44   5.668  12.509  -6.544
  306   2HA   GLY  44          2HA       GLY  44   4.350  12.450  -7.698
  307    H    VAL  45           H        VAL  45   4.453  10.247  -4.899
  308    HA   VAL  45           HA       VAL  45   5.341   8.096  -6.682
  309    HB   VAL  45           HB       VAL  45   6.345   7.124  -4.916
  310   1HG1  VAL  45          1HG1      VAL  45   7.291   9.390  -5.044
  311   2HG1  VAL  45          2HG1      VAL  45   6.104   9.956  -3.843
  312   3HG1  VAL  45          3HG1      VAL  45   7.337   8.758  -3.380
  313   1HG2  VAL  45          1HG2      VAL  45   4.087   8.214  -3.226
  314   2HG2  VAL  45          2HG2      VAL  45   4.482   6.520  -3.605
  315   3HG2  VAL  45          3HG2      VAL  45   5.527   7.453  -2.506
  316    HA   PRO  46           HA       PRO  46   1.496   6.138  -6.374
  317   1HB   PRO  46          1HB       PRO  46   2.046   3.492  -5.973
  318   2HB   PRO  46          2HB       PRO  46   2.187   4.274  -7.534
  319   1HG   PRO  46          1HG       PRO  46   4.332   3.446  -5.676
  320   2HG   PRO  46          2HG       PRO  46   4.445   3.827  -7.383
  321   1HD   PRO  46          1HD       PRO  46   5.240   5.502  -5.195
  322   2HD   PRO  46          2HD       PRO  46   5.245   5.927  -6.895
  323    H    TRP  47           H        TRP  47   0.531   7.216  -4.651
  324    HA   TRP  47           HA       TRP  47   0.934   6.930  -2.056
  325   1HB   TRP  47          1HB       TRP  47  -1.552   7.215  -3.669
  326   2HB   TRP  47          2HB       TRP  47  -1.731   6.873  -1.959
  327    HD1  TRP  47           HD1      TRP  47   1.180   9.121  -3.088
  328    HE1  TRP  47           HE1      TRP  47   0.853  11.605  -2.262
  329    HE3  TRP  47           HE3      TRP  47  -3.561   8.478  -1.365
  330    HZ2  TRP  47           HZ2      TRP  47  -1.304  12.992  -1.009
  331    HZ3  TRP  47           HZ3      TRP  47  -4.706  10.448  -0.355
  332    HH2  TRP  47           HH2      TRP  47  -3.655  12.646  -0.163
  333    H    CYS  48           H        CYS  48  -1.044   4.623  -4.056
  334    HA   CYS  48           HA       CYS  48  -0.960   2.747  -1.845
  335   1HB   CYS  48          1HB       CYS  48  -3.047   3.337  -3.257
  336   2HB   CYS  48          2HB       CYS  48  -2.343   2.298  -4.480
  337    H    PHE  49           H        PHE  49   0.902   1.525  -1.763
  338    HA   PHE  49           HA       PHE  49   1.864   0.452  -4.317
  339   1HB   PHE  49          1HB       PHE  49   4.170   0.645  -3.094
  340   2HB   PHE  49          2HB       PHE  49   3.462   2.149  -3.647
  341    HD1  PHE  49           HD1      PHE  49   3.567  -0.034  -0.623
  342    HD2  PHE  49           HD2      PHE  49   3.276   3.911  -2.158
  343    HE1  PHE  49           HE1      PHE  49   3.694   0.883   1.710
  344    HE2  PHE  49           HE2      PHE  49   3.404   4.828   0.175
  345    HZ   PHE  49           HZ       PHE  49   3.611   3.303   2.081
  346    H    LYS  50           H        LYS  50   3.250  -1.559  -4.001
  347    HA   LYS  50           HA       LYS  50   1.829  -3.386  -2.403
  348   1HB   LYS  50          1HB       LYS  50   4.397  -3.569  -3.991
  349   2HB   LYS  50          2HB       LYS  50   3.733  -4.932  -3.113
  350   1HG   LYS  50          1HG       LYS  50   1.507  -3.943  -4.496
  351   2HG   LYS  50          2HG       LYS  50   2.813  -3.699  -5.638
  352   1HD   LYS  50          1HD       LYS  50   3.272  -6.282  -4.559
  353   2HD   LYS  50          2HD       LYS  50   1.537  -6.199  -4.796
  354   1HE   LYS  50          1HE       LYS  50   2.534  -5.042  -7.143
  355   2HE   LYS  50          2HE       LYS  50   3.704  -6.302  -6.809
  356   1HZ   LYS  50          1HZ       LYS  50   0.901  -6.984  -6.558
  357   2HZ   LYS  50          2HZ       LYS  50   1.497  -6.793  -8.066
  358   3HZ   LYS  50          3HZ       LYS  50   2.153  -7.903  -7.065
  359    HA   PRO  51           HA       PRO  51   4.025  -3.273   1.310
  360   1HB   PRO  51          1HB       PRO  51   4.045  -5.878   2.137
  361   2HB   PRO  51          2HB       PRO  51   2.648  -4.832   2.298
  362   1HG   PRO  51          1HG       PRO  51   3.111  -7.022   0.367
  363   2HG   PRO  51          2HG       PRO  51   1.599  -6.263   0.824
  364   1HD   PRO  51          1HD       PRO  51   3.079  -5.822  -1.593
  365   2HD   PRO  51          2HD       PRO  51   1.630  -4.979  -1.083
  366    H    LEU  52           H        LEU  52   6.062  -2.636   1.562
  367    HA   LEU  52           HA       LEU  52   8.133  -3.280   0.067
  368   1HB   LEU  52          1HB       LEU  52   8.253  -1.669   1.837
  369   2HB   LEU  52          2HB       LEU  52   8.095  -2.913   3.061
  370    HG   LEU  52           HG       LEU  52  10.446  -2.635   1.167
  371   1HD1  LEU  52          1HD1      LEU  52  10.299  -0.748   2.731
  372   2HD1  LEU  52          2HD1      LEU  52  10.242  -1.888   4.097
  373   3HD1  LEU  52          3HD1      LEU  52  11.698  -1.793   3.078
  374   1HD2  LEU  52          1HD2      LEU  52   9.651  -4.689   3.142
  375   2HD2  LEU  52          2HD2      LEU  52  10.691  -4.809   1.702
  376   3HD2  LEU  52          3HD2      LEU  52  11.346  -4.151   3.221
  377    H    GLN  53           H        GLN  53   9.403  -4.999  -0.469
  378    HA   GLN  53           HA       GLN  53   8.581  -7.530   0.422
  379   1HB   GLN  53          1HB       GLN  53  10.859  -8.125  -0.865
  380   2HB   GLN  53          2HB       GLN  53   9.401  -7.676  -1.728
  381   1HG   GLN  53          1HG       GLN  53  11.525  -6.445  -2.448
  382   2HG   GLN  53          2HG       GLN  53  10.157  -5.420  -2.065
  383   2HE2  GLN  53          2HE2      GLN  53  10.652  -3.707  -0.952
  384   1HE2  GLN  53          1HE2      GLN  53  11.881  -3.550   0.259
  385    H    GLU  54           H        GLU  54   8.995  -6.554   2.812
  386    HA   GLU  54           HA       GLU  54  11.385  -6.219   3.911
  387   1HB   GLU  54          1HB       GLU  54  10.418  -7.247   6.006
  388   2HB   GLU  54          2HB       GLU  54   9.371  -6.071   5.238
  389   1HG   GLU  54          1HG       GLU  54   8.904  -8.762   4.157
  390   2HG   GLU  54          2HG       GLU  54   8.718  -8.743   5.900
  391    H    ALA  55           H        ALA  55  13.238  -7.327   3.371
  392    HA   ALA  55           HA       ALA  55  13.091 -10.259   3.558
  393   1HB   ALA  55          1HB       ALA  55  14.077 -10.351   1.542
  394   2HB   ALA  55          2HB       ALA  55  15.392  -9.287   2.096
  395   3HB   ALA  55          3HB       ALA  55  13.905  -8.584   1.417
  396    H    GLU  56           H        GLU  56  14.998  -7.266   4.204
  397    HA   GLU  56           HA       GLU  56  16.549  -8.854   6.094
  398   1HB   GLU  56          1HB       GLU  56  17.478  -7.247   4.056
  399   2HB   GLU  56          2HB       GLU  56  17.510  -6.124   5.401
  400   1HG   GLU  56          1HG       GLU  56  19.281  -7.176   6.377
  401   2HG   GLU  56          2HG       GLU  56  18.553  -8.759   6.186
  402    H    CYS  57           H        CYS  57  17.031  -7.878   8.217
  403    HA   CYS  57           HA       CYS  57  14.887  -6.977   9.554
  404   1HB   CYS  57          1HB       CYS  57  17.816  -6.814  10.011
  405   2HB   CYS  57          2HB       CYS  57  16.813  -5.779  11.007
  406    H    THR  58           H        THR  58  13.888  -4.966   9.963
  407    HA   THR  58           HA       THR  58  13.941  -3.007   8.066
  408    HB   THR  58           HB       THR  58  12.238  -3.401   9.913
  409    HG1  THR  58           HG1      THR  58  12.096  -1.404   8.820
  410   1HG2  THR  58          1HG2      THR  58  13.986  -3.426  11.810
  411   2HG2  THR  58          2HG2      THR  58  14.142  -1.670  11.565
  412   3HG2  THR  58          3HG2      THR  58  12.586  -2.362  12.082
  413    H    PHE  59           H        PHE  59  14.960  -1.053   7.693
  414    HA   PHE  59           HA       PHE  59  17.610  -0.868   8.127
  415   1HB   PHE  59          1HB       PHE  59  17.302   1.364   7.298
  416   2HB   PHE  59          2HB       PHE  59  15.841   0.559   6.759
  417    HD1  PHE  59           HD1      PHE  59  13.755   0.783   8.248
  418    HD2  PHE  59           HD2      PHE  59  17.168   3.276   8.635
  419    HE1  PHE  59           HE1      PHE  59  12.368   2.495   9.449
  420    HE2  PHE  59           HE2      PHE  59  15.781   4.988   9.837
  421    HZ   PHE  59           HZ       PHE  59  13.397   4.578  10.229

  No H/Q in entry =         421
  Start of MODEL   46
    1    H    GLU   1           H        GLU   1   6.042  -8.728  22.667
    2    HA   GLU   1           HA       GLU   1   7.231  -9.711  20.461
    3   1HB   GLU   1          1HB       GLU   1   6.686 -10.619  23.042
    4   2HB   GLU   1          2HB       GLU   1   5.879 -11.811  22.042
    5   1HG   GLU   1          1HG       GLU   1   7.888 -12.785  21.661
    6   2HG   GLU   1          2HG       GLU   1   8.370 -11.361  20.761
    7    H    GLU   2           H        GLU   2   5.355  -8.681  18.988
    8    HA   GLU   2           HA       GLU   2   3.854 -10.984  18.086
    9   1HB   GLU   2          1HB       GLU   2   2.693  -8.423  19.105
   10   2HB   GLU   2          2HB       GLU   2   1.986  -9.048  17.629
   11   1HG   GLU   2          1HG       GLU   2   0.956 -10.767  18.719
   12   2HG   GLU   2          2HG       GLU   2   2.404 -11.181  19.614
   13    H    TYR   3           H        TYR   3   2.617 -10.132  15.872
   14    HA   TYR   3           HA       TYR   3   4.717  -8.710  14.377
   15   1HB   TYR   3          1HB       TYR   3   4.114 -11.288  14.068
   16   2HB   TYR   3          2HB       TYR   3   2.625 -10.708  13.350
   17    HD1  TYR   3           HD1      TYR   3   6.331 -10.189  13.037
   18    HD2  TYR   3           HD2      TYR   3   2.552 -10.425  11.045
   19    HE1  TYR   3           HE1      TYR   3   7.494  -9.964  10.788
   20    HE2  TYR   3           HE2      TYR   3   3.728 -10.199   8.803
   21    HH   TYR   3           HH       TYR   3   5.986  -9.112   8.057
   22    H    VAL   4           H        VAL   4   3.747  -7.817  12.196
   23    HA   VAL   4           HA       VAL   4   1.033  -7.144  12.106
   24    HB   VAL   4           HB       VAL   4   1.777  -5.815  14.114
   25   1HG1  VAL   4          1HG1      VAL   4   3.360  -4.330  11.994
   26   2HG1  VAL   4          2HG1      VAL   4   2.982  -3.669  13.603
   27   3HG1  VAL   4          3HG1      VAL   4   3.984  -5.134  13.455
   28   1HG2  VAL   4          1HG2      VAL   4  -0.060  -5.251  12.187
   29   2HG2  VAL   4          2HG2      VAL   4   0.161  -4.295  13.672
   30   3HG2  VAL   4          3HG2      VAL   4   0.923  -3.768  12.152
   31    H    GLY   5           H        GLY   5   0.529  -6.142  10.111
   32   1HA   GLY   5          1HA       GLY   5   1.672  -6.598   7.872
   33   2HA   GLY   5          2HA       GLY   5   2.838  -5.414   8.427
   34    H    LEU   6           H        LEU   6   0.191  -4.279   9.941
   35    HA   LEU   6           HA       LEU   6  -0.908  -2.936   7.584
   36   1HB   LEU   6          1HB       LEU   6  -2.609  -2.209   9.446
   37   2HB   LEU   6          2HB       LEU   6  -2.729  -3.754   8.629
   38    HG   LEU   6           HG       LEU   6  -1.168  -3.627  11.179
   39   1HD1  LEU   6          1HD1      LEU   6  -4.073  -3.078  10.931
   40   2HD1  LEU   6          2HD1      LEU   6  -3.583  -4.242  12.185
   41   3HD1  LEU   6          3HD1      LEU   6  -2.908  -2.595  12.187
   42   1HD2  LEU   6          1HD2      LEU   6  -1.372  -5.681   9.717
   43   2HD2  LEU   6          2HD2      LEU   6  -1.830  -5.888  11.425
   44   3HD2  LEU   6          3HD2      LEU   6  -3.091  -5.735  10.178
   45    H    SER   7           H        SER   7   0.738  -2.451  10.727
   46    HA   SER   7           HA       SER   7   0.727   0.397  10.235
   47   1HB   SER   7          1HB       SER   7   2.116   0.127  12.562
   48   2HB   SER   7          2HB       SER   7   0.369   0.245  12.488
   49    HG   SER   7           HG       SER   7   2.017  -2.039  12.944
   50    H    ALA   8           H        ALA   8   2.383   1.247   9.033
   51    HA   ALA   8           HA       ALA   8   4.313   1.270   7.888
   52   1HB   ALA   8          1HB       ALA   8   4.606   2.048  10.477
   53   2HB   ALA   8          2HB       ALA   8   5.844   0.772  10.392
   54   3HB   ALA   8          3HB       ALA   8   5.907   2.149   9.267
   55    H    ASN   9           H        ASN   9   6.875   0.026   8.614
   56    HA   ASN   9           HA       ASN   9   8.011  -1.786   8.260
   57   1HB   ASN   9          1HB       ASN   9   5.718  -2.734   9.791
   58   2HB   ASN   9          2HB       ASN   9   6.173  -3.969   8.633
   59   2HD2  ASN   9          2HD2      ASN   9   6.548  -4.920  10.893
   60   1HD2  ASN   9          1HD2      ASN   9   8.163  -4.832  11.513
   61    H    GLN  10           H        GLN  10   4.715  -3.103   7.443
   62    HA   GLN  10           HA       GLN  10   5.596  -4.218   5.055
   63   1HB   GLN  10          1HB       GLN  10   3.417  -4.572   6.615
   64   2HB   GLN  10          2HB       GLN  10   2.691  -3.537   5.401
   65   1HG   GLN  10          1HG       GLN  10   2.451  -5.383   4.102
   66   2HG   GLN  10          2HG       GLN  10   4.190  -5.368   3.881
   67   2HE2  GLN  10          2HE2      GLN  10   1.500  -6.938   5.254
   68   1HE2  GLN  10          1HE2      GLN  10   2.311  -8.223   6.085
   69    H    CYS  11           H        CYS  11   4.056  -1.085   5.877
   70    HA   CYS  11           HA       CYS  11   4.320  -0.349   3.053
   71   1HB   CYS  11          1HB       CYS  11   2.591   1.218   4.914
   72   2HB   CYS  11          2HB       CYS  11   2.463   0.995   3.181
   73    H    ALA  12           H        ALA  12   6.628  -0.368   4.615
   74    HA   ALA  12           HA       ALA  12   6.955   2.463   5.341
   75   1HB   ALA  12          1HB       ALA  12   9.066   1.136   6.500
   76   2HB   ALA  12          2HB       ALA  12   7.539   1.529   7.326
   77   3HB   ALA  12          3HB       ALA  12   7.774  -0.083   6.609
   78    H    VAL  13           H        VAL  13   7.026   2.113   2.691
   79    HA   VAL  13           HA       VAL  13   9.750   1.447   1.924
   80    HB   VAL  13           HB       VAL  13   7.845   2.456  -0.084
   81   1HG1  VAL  13          1HG1      VAL  13  10.045   0.537   0.162
   82   2HG1  VAL  13          2HG1      VAL  13   8.678  -0.092  -0.788
   83   3HG1  VAL  13          3HG1      VAL  13   9.460   1.436  -1.259
   84   1HG2  VAL  13          1HG2      VAL  13   7.191   0.092   1.665
   85   2HG2  VAL  13          2HG2      VAL  13   6.126   1.384   1.063
   86   3HG2  VAL  13          3HG2      VAL  13   6.699   0.115  -0.045
   87    HA   PRO  14           HA       PRO  14  10.969   5.588   1.737
   88   1HB   PRO  14          1HB       PRO  14  12.999   5.479  -0.089
   89   2HB   PRO  14          2HB       PRO  14  13.191   5.006   1.587
   90   1HG   PRO  14          1HG       PRO  14  12.970   3.289  -0.809
   91   2HG   PRO  14          2HG       PRO  14  13.577   2.879   0.783
   92   1HD   PRO  14          1HD       PRO  14  11.020   2.180  -0.310
   93   2HD   PRO  14          2HD       PRO  14  11.582   1.871   1.320
   94    H    ALA  15           H        ALA  15   9.199   4.199  -0.589
   95    HA   ALA  15           HA       ALA  15   7.769   5.248  -1.981
   96   1HB   ALA  15          1HB       ALA  15   9.378   7.758  -2.215
   97   2HB   ALA  15          2HB       ALA  15   7.616   7.537  -2.094
   98   3HB   ALA  15          3HB       ALA  15   8.630   7.417  -0.636
   99    H    LYS  16           H        LYS  16  11.291   5.292  -2.267
  100    HA   LYS  16           HA       LYS  16  11.151   5.416  -5.158
  101   1HB   LYS  16          1HB       LYS  16  13.583   5.436  -5.053
  102   2HB   LYS  16          2HB       LYS  16  12.906   6.655  -3.992
  103   1HG   LYS  16          1HG       LYS  16  14.356   5.735  -2.462
  104   2HG   LYS  16          2HG       LYS  16  13.046   4.597  -2.218
  105   1HD   LYS  16          1HD       LYS  16  14.981   3.236  -2.551
  106   2HD   LYS  16          2HD       LYS  16  14.111   3.155  -4.070
  107   1HE   LYS  16          1HE       LYS  16  15.599   5.141  -4.848
  108   2HE   LYS  16          2HE       LYS  16  16.582   4.821  -3.433
  109   1HZ   LYS  16          1HZ       LYS  16  16.332   2.391  -4.470
  110   2HZ   LYS  16          2HZ       LYS  16  16.317   3.289  -5.834
  111   3HZ   LYS  16          3HZ       LYS  16  17.576   3.396  -4.799
  112    H    ASP  17           H        ASP  17  10.277   3.131  -3.029
  113    HA   ASP  17           HA       ASP  17  11.368   1.033  -4.731
  114   1HB   ASP  17          1HB       ASP  17  11.740   1.388  -1.913
  115   2HB   ASP  17          2HB       ASP  17  10.629   0.045  -2.094
  116    H    ARG  18           H        ARG  18   8.773   2.732  -4.553
  117    HA   ARG  18           HA       ARG  18   6.814   0.946  -3.584
  118   1HB   ARG  18          1HB       ARG  18   6.336   3.276  -5.494
  119   2HB   ARG  18          2HB       ARG  18   5.217   2.615  -4.319
  120   1HG   ARG  18          1HG       ARG  18   7.864   3.726  -3.359
  121   2HG   ARG  18          2HG       ARG  18   6.579   4.839  -3.783
  122   1HD   ARG  18          1HD       ARG  18   5.252   2.928  -2.218
  123   2HD   ARG  18          2HD       ARG  18   6.815   3.055  -1.435
  124    HE   ARG  18           HE       ARG  18   5.503   5.622  -2.105
  125   1HH1  ARG  18          1HH1      ARG  18   6.166   3.185   0.345
  126   2HH1  ARG  18          2HH1      ARG  18   5.807   4.239   1.672
  127   1HH2  ARG  18          1HH2      ARG  18   5.029   7.012  -0.355
  128   2HH2  ARG  18          2HH2      ARG  18   5.156   6.430   1.272
  129    H    VAL  19           H        VAL  19   5.586  -0.575  -4.735
  130    HA   VAL  19           HA       VAL  19   6.472  -1.079  -7.457
  131    HB   VAL  19           HB       VAL  19   4.605  -2.718  -5.743
  132   1HG1  VAL  19          1HG1      VAL  19   5.957  -3.059  -8.352
  133   2HG1  VAL  19          2HG1      VAL  19   6.056  -4.460  -7.259
  134   3HG1  VAL  19          3HG1      VAL  19   4.468  -3.802  -7.721
  135   1HG2  VAL  19          1HG2      VAL  19   7.424  -2.178  -5.328
  136   2HG2  VAL  19          2HG2      VAL  19   6.288  -3.118  -4.331
  137   3HG2  VAL  19          3HG2      VAL  19   7.152  -3.902  -5.676
  138    H    ASP  20           H        ASP  20   4.095   0.723  -5.857
  139    HA   ASP  20           HA       ASP  20   2.222   1.640  -6.451
  140   1HB   ASP  20          1HB       ASP  20   3.308   2.601  -8.340
  141   2HB   ASP  20          2HB       ASP  20   3.441   1.061  -9.165
  142    H    CYS  21           H        CYS  21   0.461   0.372  -5.783
  143    HA   CYS  21           HA       CYS  21  -0.018  -2.185  -6.889
  144   1HB   CYS  21          1HB       CYS  21  -0.720  -0.906  -4.576
  145   2HB   CYS  21          2HB       CYS  21  -2.233  -0.868  -5.460
  146    H    GLY  22           H        GLY  22  -0.565   1.024  -7.954
  147   1HA   GLY  22          1HA       GLY  22  -1.806   0.354 -10.325
  148   2HA   GLY  22          2HA       GLY  22  -1.807   1.943  -9.587
  149    H    TYR  23           H        TYR  23  -3.513   2.446  -7.939
  150    HA   TYR  23           HA       TYR  23  -6.004   1.177  -8.743
  151   1HB   TYR  23          1HB       TYR  23  -4.619   0.394  -6.452
  152   2HB   TYR  23          2HB       TYR  23  -5.549   1.732  -5.808
  153    HD1  TYR  23           HD1      TYR  23  -6.530  -0.792  -8.395
  154    HD2  TYR  23           HD2      TYR  23  -7.179   0.739  -4.453
  155    HE1  TYR  23           HE1      TYR  23  -8.547  -2.317  -8.127
  156    HE2  TYR  23           HE2      TYR  23  -9.194  -0.791  -4.199
  157    HH   TYR  23           HH       TYR  23 -10.546  -2.165  -5.203
  158    HA   PRO  24           HA       PRO  24  -7.311   5.291  -8.400
  159   1HB   PRO  24          1HB       PRO  24 -10.022   4.955  -8.482
  160   2HB   PRO  24          2HB       PRO  24  -9.012   4.947  -9.914
  161   1HG   PRO  24          1HG       PRO  24 -10.289   2.666  -8.533
  162   2HG   PRO  24          2HG       PRO  24  -9.648   2.744 -10.162
  163   1HD   PRO  24          1HD       PRO  24  -8.413   1.504  -7.889
  164   2HD   PRO  24          2HD       PRO  24  -7.722   1.684  -9.490
  165    H    HIS  25           H        HIS  25 -10.075   3.981  -6.750
  166    HA   HIS  25           HA       HIS  25  -9.921   5.846  -4.723
  167   1HB   HIS  25          1HB       HIS  25 -11.513   4.289  -3.534
  168   2HB   HIS  25          2HB       HIS  25 -11.992   4.810  -5.137
  169    HD1  HIS  25           HD1      HIS  25 -13.541   2.682  -5.314
  170    HD2  HIS  25           HD2      HIS  25  -9.439   1.861  -4.999
  171    HE1  HIS  25           HE1      HIS  25 -13.251   0.229  -5.954
  172    HE2  HIS  25           HE2      HIS  25 -10.705  -0.203  -5.794
  173    H    VAL  26           H        VAL  26  -7.731   5.948  -3.966
  174    HA   VAL  26           HA       VAL  26  -6.977   3.623  -2.332
  175    HB   VAL  26           HB       VAL  26  -4.658   4.395  -2.637
  176   1HG1  VAL  26          1HG1      VAL  26  -6.373   3.563  -4.951
  177   2HG1  VAL  26          2HG1      VAL  26  -4.661   3.949  -5.246
  178   3HG1  VAL  26          3HG1      VAL  26  -5.098   2.666  -4.092
  179   1HG2  VAL  26          1HG2      VAL  26  -5.932   6.738  -3.668
  180   2HG2  VAL  26          2HG2      VAL  26  -4.198   6.438  -3.398
  181   3HG2  VAL  26          3HG2      VAL  26  -4.940   6.026  -4.963
  182    H    THR  27           H        THR  27  -7.111   3.945  -0.177
  183    HA   THR  27           HA       THR  27  -6.562   6.633   0.839
  184    HB   THR  27           HB       THR  27  -8.660   6.833   1.895
  185    HG1  THR  27           HG1      THR  27  -9.486   4.980   2.813
  186   1HG2  THR  27          1HG2      THR  27  -9.036   6.640  -0.646
  187   2HG2  THR  27          2HG2      THR  27  -9.440   4.929  -0.369
  188   3HG2  THR  27          3HG2      THR  27 -10.441   6.209   0.358
  189    HA   PRO  28           HA       PRO  28  -4.643   4.559   4.075
  190   1HB   PRO  28          1HB       PRO  28  -5.314   5.927   6.344
  191   2HB   PRO  28          2HB       PRO  28  -4.115   6.497   5.201
  192   1HG   PRO  28          1HG       PRO  28  -6.880   7.456   5.619
  193   2HG   PRO  28          2HG       PRO  28  -5.550   8.260   4.810
  194   1HD   PRO  28          1HD       PRO  28  -7.778   6.952   3.564
  195   2HD   PRO  28          2HD       PRO  28  -6.390   7.654   2.758
  196    H    LYS  29           H        LYS  29  -7.109   3.366   3.247
  197    HA   LYS  29           HA       LYS  29  -7.319   1.491   5.314
  198   1HB   LYS  29          1HB       LYS  29  -8.573   3.617   6.220
  199   2HB   LYS  29          2HB       LYS  29  -9.852   3.098   5.142
  200   1HG   LYS  29          1HG       LYS  29  -8.776   0.825   6.654
  201   2HG   LYS  29          2HG       LYS  29  -9.304   2.099   7.735
  202   1HD   LYS  29          1HD       LYS  29 -11.535   2.134   6.704
  203   2HD   LYS  29          2HD       LYS  29 -11.024   1.011   5.459
  204   1HE   LYS  29          1HE       LYS  29 -11.887  -0.588   6.855
  205   2HE   LYS  29          2HE       LYS  29 -10.363  -0.430   7.706
  206   1HZ   LYS  29          1HZ       LYS  29 -11.444   1.312   9.051
  207   2HZ   LYS  29          2HZ       LYS  29 -12.870   0.962   8.336
  208   3HZ   LYS  29          3HZ       LYS  29 -12.113  -0.165   9.243
  209    H    GLU  30           H        GLU  30  -8.834   3.164   2.517
  210    HA   GLU  30           HA       GLU  30 -10.202   0.812   1.719
  211   1HB   GLU  30          1HB       GLU  30 -10.505   3.489   1.187
  212   2HB   GLU  30          2HB       GLU  30  -9.718   2.964  -0.288
  213   1HG   GLU  30          1HG       GLU  30 -11.497   1.608  -0.932
  214   2HG   GLU  30          2HG       GLU  30 -11.950   1.226   0.717
  215    H    CYS  31           H        CYS  31  -7.100   2.425   0.966
  216    HA   CYS  31           HA       CYS  31  -6.569   0.745  -1.272
  217   1HB   CYS  31          1HB       CYS  31  -5.502   2.757  -1.489
  218   2HB   CYS  31          2HB       CYS  31  -5.119   2.880   0.216
  219    H    ASN  32           H        ASN  32  -6.219   0.650   2.234
  220    HA   ASN  32           HA       ASN  32  -4.302  -1.500   2.049
  221   1HB   ASN  32          1HB       ASN  32  -5.568  -0.407   4.601
  222   2HB   ASN  32          2HB       ASN  32  -4.034  -1.239   4.441
  223   2HD2  ASN  32          2HD2      ASN  32  -2.400   0.048   4.757
  224   1HD2  ASN  32          1HD2      ASN  32  -2.229   1.689   4.229
  225    H    ASN  33           H        ASN  33  -7.592  -1.121   1.730
  226    HA   ASN  33           HA       ASN  33  -8.298  -3.383   3.385
  227   1HB   ASN  33          1HB       ASN  33  -9.888  -1.570   3.529
  228   2HB   ASN  33          2HB       ASN  33  -9.890  -1.325   1.794
  229   2HD2  ASN  33          2HD2      ASN  33 -12.031  -1.582   1.463
  230   1HD2  ASN  33          1HD2      ASN  33 -12.895  -3.070   1.665
  231    H    ARG  34           H        ARG  34  -8.349  -2.173  -0.035
  232    HA   ARG  34           HA       ARG  34  -9.553  -4.296  -1.213
  233   1HB   ARG  34          1HB       ARG  34  -8.541  -1.986  -2.139
  234   2HB   ARG  34          2HB       ARG  34  -7.182  -3.001  -2.580
  235   1HG   ARG  34          1HG       ARG  34 -10.044  -3.138  -3.565
  236   2HG   ARG  34          2HG       ARG  34  -8.567  -3.066  -4.505
  237   1HD   ARG  34          1HD       ARG  34  -7.971  -5.383  -3.684
  238   2HD   ARG  34          2HD       ARG  34  -9.502  -5.450  -2.833
  239    HE   ARG  34           HE       ARG  34 -10.077  -4.758  -5.529
  240   1HH1  ARG  34          1HH1      ARG  34  -8.772  -7.483  -3.725
  241   2HH1  ARG  34          2HH1      ARG  34  -9.314  -8.664  -4.870
  242   1HH2  ARG  34          1HH2      ARG  34 -10.793  -6.316  -7.039
  243   2HH2  ARG  34          2HH2      ARG  34 -10.471  -7.996  -6.768
  244    H    GLY  35           H        GLY  35  -6.184  -3.902  -0.074
  245   1HA   GLY  35          1HA       GLY  35  -5.595  -6.656  -0.983
  246   2HA   GLY  35          2HA       GLY  35  -5.214  -6.083   0.629
  247    H    CYS  36           H        CYS  36  -3.817  -3.998   0.733
  248    HA   CYS  36           HA       CYS  36  -1.433  -4.492  -0.574
  249   1HB   CYS  36          1HB       CYS  36  -3.226  -3.188  -2.293
  250   2HB   CYS  36          2HB       CYS  36  -2.145  -1.930  -1.726
  251    H    CYS  37           H        CYS  37  -0.570  -1.654  -0.685
  252    HA   CYS  37           HA       CYS  37  -1.008  -0.936   2.122
  253   1HB   CYS  37          1HB       CYS  37   1.522  -1.154   0.548
  254   2HB   CYS  37          2HB       CYS  37   1.400   0.108   1.758
  255    H    PHE  38           H        PHE  38  -1.090   1.383   2.536
  256    HA   PHE  38           HA       PHE  38  -1.508   2.941   0.082
  257   1HB   PHE  38          1HB       PHE  38  -3.581   2.565   1.391
  258   2HB   PHE  38          2HB       PHE  38  -2.763   2.971   2.886
  259    HD1  PHE  38           HD1      PHE  38  -4.024   4.377  -0.291
  260    HD2  PHE  38           HD2      PHE  38  -2.595   5.220   3.615
  261    HE1  PHE  38           HE1      PHE  38  -4.760   6.765  -0.536
  262    HE2  PHE  38           HE2      PHE  38  -3.331   7.607   3.370
  263    HZ   PHE  38           HZ       PHE  38  -4.404   8.351   1.297
  264    H    ASP  39           H        ASP  39  -1.376   5.453   0.685
  265    HA   ASP  39           HA       ASP  39   0.254   6.229   2.765
  266   1HB   ASP  39          1HB       ASP  39   2.092   5.066   1.690
  267   2HB   ASP  39          2HB       ASP  39   1.664   5.705   0.116
  268    H    SER  40           H        SER  40   0.501   8.590   2.706
  269    HA   SER  40           HA       SER  40  -0.466   9.852   0.281
  270   1HB   SER  40          1HB       SER  40  -1.984  11.315   1.552
  271   2HB   SER  40          2HB       SER  40  -2.425   9.634   1.779
  272    HG   SER  40           HG       SER  40  -0.733  10.049   3.743
  273    H    ARG  41           H        ARG  41   2.101   9.434   2.083
  274    HA   ARG  41           HA       ARG  41   2.731  11.859   3.211
  275   1HB   ARG  41          1HB       ARG  41   3.941   9.442   3.138
  276   2HB   ARG  41          2HB       ARG  41   4.898  10.219   1.893
  277   1HG   ARG  41          1HG       ARG  41   5.810  11.802   3.375
  278   2HG   ARG  41          2HG       ARG  41   4.452  11.712   4.479
  279   1HD   ARG  41          1HD       ARG  41   5.191   9.320   5.045
  280   2HD   ARG  41          2HD       ARG  41   6.638   9.612   4.100
  281    HE   ARG  41           HE       ARG  41   6.653  11.764   5.792
  282   1HH1  ARG  41          1HH1      ARG  41   6.228   8.321   6.379
  283   2HH1  ARG  41          2HH1      ARG  41   6.908   8.378   7.971
  284   1HH2  ARG  41          1HH2      ARG  41   7.550  11.841   7.892
  285   2HH2  ARG  41          2HH2      ARG  41   7.665  10.394   8.837
  286    H    ILE  42           H        ILE  42   3.309  10.542  -0.113
  287    HA   ILE  42           HA       ILE  42   3.550  13.272  -1.070
  288    HB   ILE  42           HB       ILE  42   5.546  12.070  -2.492
  289   1HG1  ILE  42          1HG1      ILE  42   7.087  11.082  -0.812
  290   2HG1  ILE  42          2HG1      ILE  42   5.799  11.116   0.376
  291   1HG2  ILE  42          1HG2      ILE  42   5.483  14.359  -1.569
  292   2HG2  ILE  42          2HG2      ILE  42   5.873  13.704   0.039
  293   3HG2  ILE  42          3HG2      ILE  42   7.043  13.548  -1.293
  294   1HD1  ILE  42          1HD1      ILE  42   5.014   9.856  -2.196
  295   2HD1  ILE  42          2HD1      ILE  42   6.308   9.001  -1.322
  296   3HD1  ILE  42          3HD1      ILE  42   4.744   9.299  -0.527
  297    HA   PRO  43           HA       PRO  43   1.094  11.400  -4.110
  298   1HB   PRO  43          1HB       PRO  43   0.835  13.528  -5.806
  299   2HB   PRO  43          2HB       PRO  43  -0.152  13.318  -4.373
  300   1HG   PRO  43          1HG       PRO  43   2.104  15.177  -4.813
  301   2HG   PRO  43          2HG       PRO  43   0.855  15.238  -3.585
  302   1HD   PRO  43          1HD       PRO  43   3.571  14.385  -3.231
  303   2HD   PRO  43          2HD       PRO  43   2.292  14.337  -2.033
  304    H    GLY  44           H        GLY  44   4.010  13.091  -5.025
  305   1HA   GLY  44          1HA       GLY  44   5.669  12.362  -6.390
  306   2HA   GLY  44          2HA       GLY  44   4.393  12.428  -7.590
  307    H    VAL  45           H        VAL  45   4.896  10.188  -4.775
  308    HA   VAL  45           HA       VAL  45   5.454   8.021  -6.609
  309    HB   VAL  45           HB       VAL  45   6.291   6.908  -4.806
  310   1HG1  VAL  45          1HG1      VAL  45   7.086   9.483  -5.036
  311   2HG1  VAL  45          2HG1      VAL  45   6.558   9.476  -3.337
  312   3HG1  VAL  45          3HG1      VAL  45   7.803   8.329  -3.886
  313   1HG2  VAL  45          1HG2      VAL  45   4.164   8.309  -3.192
  314   2HG2  VAL  45          2HG2      VAL  45   4.447   6.566  -3.416
  315   3HG2  VAL  45          3HG2      VAL  45   5.547   7.522  -2.394
  316    HA   PRO  46           HA       PRO  46   1.524   6.223  -6.422
  317   1HB   PRO  46          1HB       PRO  46   1.958   3.547  -6.080
  318   2HB   PRO  46          2HB       PRO  46   2.160   4.361  -7.619
  319   1HG   PRO  46          1HG       PRO  46   4.234   3.399  -5.745
  320   2HG   PRO  46          2HG       PRO  46   4.394   3.817  -7.439
  321   1HD   PRO  46          1HD       PRO  46   5.216   5.403  -5.194
  322   2HD   PRO  46          2HD       PRO  46   5.270   5.869  -6.883
  323    H    TRP  47           H        TRP  47   0.564   7.291  -4.694
  324    HA   TRP  47           HA       TRP  47   0.887   6.975  -2.108
  325   1HB   TRP  47          1HB       TRP  47  -1.555   7.273  -3.775
  326   2HB   TRP  47          2HB       TRP  47  -1.790   6.881  -2.083
  327    HD1  TRP  47           HD1      TRP  47   1.120   9.195  -3.105
  328    HE1  TRP  47           HE1      TRP  47   0.755  11.647  -2.201
  329    HE3  TRP  47           HE3      TRP  47  -3.620   8.433  -1.429
  330    HZ2  TRP  47           HZ2      TRP  47  -1.426  12.963  -0.915
  331    HZ3  TRP  47           HZ3      TRP  47  -4.797  10.354  -0.361
  332    HH2  TRP  47           HH2      TRP  47  -3.776  12.559  -0.092
  333    H    CYS  48           H        CYS  48  -1.087   4.677  -4.127
  334    HA   CYS  48           HA       CYS  48  -0.998   2.785  -1.932
  335   1HB   CYS  48          1HB       CYS  48  -3.093   3.361  -3.298
  336   2HB   CYS  48          2HB       CYS  48  -2.384   2.400  -4.581
  337    H    PHE  49           H        PHE  49   0.785   1.460  -1.850
  338    HA   PHE  49           HA       PHE  49   1.783   0.442  -4.409
  339   1HB   PHE  49          1HB       PHE  49   4.086   0.609  -3.170
  340   2HB   PHE  49          2HB       PHE  49   3.393   2.119  -3.727
  341    HD1  PHE  49           HD1      PHE  49   3.499  -0.064  -0.706
  342    HD2  PHE  49           HD2      PHE  49   3.172   3.881  -2.236
  343    HE1  PHE  49           HE1      PHE  49   3.617   0.852   1.628
  344    HE2  PHE  49           HE2      PHE  49   3.290   4.796   0.098
  345    HZ   PHE  49           HZ       PHE  49   3.511   3.271   2.002
  346    H    LYS  50           H        LYS  50   3.236  -1.552  -4.047
  347    HA   LYS  50           HA       LYS  50   1.771  -3.393  -2.479
  348   1HB   LYS  50          1HB       LYS  50   4.377  -3.618  -4.010
  349   2HB   LYS  50          2HB       LYS  50   3.597  -4.970  -3.215
  350   1HG   LYS  50          1HG       LYS  50   1.460  -4.007  -4.606
  351   2HG   LYS  50          2HG       LYS  50   2.745  -3.453  -5.661
  352   1HD   LYS  50          1HD       LYS  50   3.511  -6.084  -5.060
  353   2HD   LYS  50          2HD       LYS  50   1.766  -6.198  -5.182
  354   1HE   LYS  50          1HE       LYS  50   2.461  -4.566  -7.364
  355   2HE   LYS  50          2HE       LYS  50   3.764  -5.736  -7.306
  356   1HZ   LYS  50          1HZ       LYS  50   2.087  -7.480  -7.258
  357   2HZ   LYS  50          2HZ       LYS  50   0.896  -6.370  -7.378
  358   3HZ   LYS  50          3HZ       LYS  50   1.958  -6.563  -8.603
  359    HA   PRO  51           HA       PRO  51   3.983  -3.330   1.226
  360   1HB   PRO  51          1HB       PRO  51   4.073  -5.949   2.001
  361   2HB   PRO  51          2HB       PRO  51   2.650  -4.944   2.186
  362   1HG   PRO  51          1HG       PRO  51   3.166  -7.082   0.210
  363   2HG   PRO  51          2HG       PRO  51   1.636  -6.372   0.685
  364   1HD   PRO  51          1HD       PRO  51   3.098  -5.844  -1.725
  365   2HD   PRO  51          2HD       PRO  51   1.628  -5.050  -1.196
  366    H    LEU  52           H        LEU  52   6.006  -2.733   1.640
  367    HA   LEU  52           HA       LEU  52   8.106  -3.185   0.114
  368   1HB   LEU  52          1HB       LEU  52   8.286  -1.750   1.967
  369   2HB   LEU  52          2HB       LEU  52   7.936  -3.030   3.112
  370    HG   LEU  52           HG       LEU  52  10.445  -2.942   1.418
  371   1HD1  LEU  52          1HD1      LEU  52   9.737  -1.371   3.740
  372   2HD1  LEU  52          2HD1      LEU  52  11.120  -2.436   4.091
  373   3HD1  LEU  52          3HD1      LEU  52  11.193  -1.306   2.717
  374   1HD2  LEU  52          1HD2      LEU  52   9.283  -4.922   3.176
  375   2HD2  LEU  52          2HD2      LEU  52  10.716  -5.029   2.125
  376   3HD2  LEU  52          3HD2      LEU  52  10.871  -4.390   3.779
  377    H    GLN  53           H        GLN  53   9.562  -4.777  -0.447
  378    HA   GLN  53           HA       GLN  53   8.732  -7.399  -0.113
  379   1HB   GLN  53          1HB       GLN  53  11.000  -5.968  -1.363
  380   2HB   GLN  53          2HB       GLN  53  11.420  -7.579  -0.817
  381   1HG   GLN  53          1HG       GLN  53  10.537  -7.502  -3.187
  382   2HG   GLN  53          2HG       GLN  53   9.651  -8.590  -2.137
  383   2HE2  GLN  53          2HE2      GLN  53   9.579  -5.048  -2.323
  384   1HE2  GLN  53          1HE2      GLN  53   7.908  -4.877  -2.745
  385    H    GLU  54           H        GLU  54   8.444  -7.542   2.259
  386    HA   GLU  54           HA       GLU  54  10.290  -7.094   4.138
  387   1HB   GLU  54          1HB       GLU  54   9.022  -8.484   5.545
  388   2HB   GLU  54          2HB       GLU  54   7.870  -8.063   4.293
  389   1HG   GLU  54          1HG       GLU  54   7.592 -10.389   4.411
  390   2HG   GLU  54          2HG       GLU  54   8.735 -10.246   3.089
  391    H    ALA  55           H        ALA  55  12.348  -7.778   4.547
  392    HA   ALA  55           HA       ALA  55  13.056 -10.513   3.885
  393   1HB   ALA  55          1HB       ALA  55  15.036  -9.812   2.604
  394   2HB   ALA  55          2HB       ALA  55  13.548  -9.220   1.828
  395   3HB   ALA  55          3HB       ALA  55  14.560  -8.106   2.778
  396    H    GLU  56           H        GLU  56  12.962 -10.580   6.267
  397    HA   GLU  56           HA       GLU  56  15.526  -9.997   7.324
  398   1HB   GLU  56          1HB       GLU  56  14.781  -8.557   9.186
  399   2HB   GLU  56          2HB       GLU  56  14.472  -7.787   7.642
  400   1HG   GLU  56          1HG       GLU  56  12.158  -9.377   8.276
  401   2HG   GLU  56          2HG       GLU  56  12.580  -8.479   9.721
  402    H    CYS  57           H        CYS  57  14.710 -12.459   6.995
  403    HA   CYS  57           HA       CYS  57  13.634 -13.248   9.603
  404   1HB   CYS  57          1HB       CYS  57  12.988 -14.307   6.866
  405   2HB   CYS  57          2HB       CYS  57  12.845 -15.338   8.276
  406    H    THR  58           H        THR  58  14.286 -15.755   9.931
  407    HA   THR  58           HA       THR  58  16.949 -15.940  10.328
  408    HB   THR  58           HB       THR  58  15.132 -17.505  11.133
  409    HG1  THR  58           HG1      THR  58  17.539 -17.975  10.993
  410   1HG2  THR  58          1HG2      THR  58  14.080 -17.899   8.835
  411   2HG2  THR  58          2HG2      THR  58  15.536 -18.825   8.400
  412   3HG2  THR  58          3HG2      THR  58  14.480 -19.392   9.716
  413    H    PHE  59           H        PHE  59  18.808 -16.383   9.247
  414    HA   PHE  59           HA       PHE  59  20.154 -16.410   7.490
  415   1HB   PHE  59          1HB       PHE  59  18.632 -18.753   7.640
  416   2HB   PHE  59          2HB       PHE  59  18.335 -18.270   5.981
  417    HD1  PHE  59           HD1      PHE  59  20.367 -17.865   4.480
  418    HD2  PHE  59           HD2      PHE  59  20.618 -19.851   8.222
  419    HE1  PHE  59           HE1      PHE  59  22.555 -18.885   3.792
  420    HE2  PHE  59           HE2      PHE  59  22.806 -20.871   7.534
  421    HZ   PHE  59           HZ       PHE  59  23.748 -20.376   5.327

  No H/Q in entry =         421
  Start of MODEL   47
    1    H    GLU   1           H        GLU   1   3.597 -13.633  20.732
    2    HA   GLU   1           HA       GLU   1   5.644 -14.351  20.042
    3   1HB   GLU   1          1HB       GLU   1   5.308 -16.464  21.589
    4   2HB   GLU   1          2HB       GLU   1   4.798 -17.258  20.112
    5   1HG   GLU   1          1HG       GLU   1   7.208 -15.769  19.536
    6   2HG   GLU   1          2HG       GLU   1   7.483 -16.695  20.998
    7    H    GLU   2           H        GLU   2   4.186 -13.200  18.353
    8    HA   GLU   2           HA       GLU   2   4.465 -14.514  15.958
    9   1HB   GLU   2          1HB       GLU   2   1.981 -15.175  17.340
   10   2HB   GLU   2          2HB       GLU   2   1.634 -14.350  15.833
   11   1HG   GLU   2          1HG       GLU   2   3.717 -16.536  15.811
   12   2HG   GLU   2          2HG       GLU   2   2.031 -17.003  15.915
   13    H    TYR   3           H        TYR   3   5.422 -12.210  16.204
   14    HA   TYR   3           HA       TYR   3   3.456 -10.101  15.897
   15   1HB   TYR   3          1HB       TYR   3   5.969 -10.387  17.058
   16   2HB   TYR   3          2HB       TYR   3   6.432  -9.752  15.492
   17    HD1  TYR   3           HD1      TYR   3   3.563  -8.957  17.784
   18    HD2  TYR   3           HD2      TYR   3   7.019  -7.518  15.714
   19    HE1  TYR   3           HE1      TYR   3   3.072  -6.596  18.590
   20    HE2  TYR   3           HE2      TYR   3   6.517  -5.162  16.527
   21    HH   TYR   3           HH       TYR   3   4.660  -4.472  19.008
   22    H    VAL   4           H        VAL   4   4.364  -8.326  14.159
   23    HA   VAL   4           HA       VAL   4   5.439  -9.390  11.782
   24    HB   VAL   4           HB       VAL   4   3.106 -10.415  11.889
   25   1HG1  VAL   4          1HG1      VAL   4   2.375  -7.711  12.290
   26   2HG1  VAL   4          2HG1      VAL   4   1.786  -8.160  10.671
   27   3HG1  VAL   4          3HG1      VAL   4   1.303  -9.118  12.091
   28   1HG2  VAL   4          1HG2      VAL   4   4.551  -9.172   9.689
   29   2HG2  VAL   4          2HG2      VAL   4   3.705 -10.737   9.760
   30   3HG2  VAL   4          3HG2      VAL   4   2.802  -9.255   9.364
   31    H    GLY   5           H        GLY   5   3.547  -7.439  10.251
   32   1HA   GLY   5          1HA       GLY   5   4.985  -5.312   9.820
   33   2HA   GLY   5          2HA       GLY   5   4.423  -4.897  11.427
   34    H    LEU   6           H        LEU   6   1.788  -6.278  11.131
   35    HA   LEU   6           HA       LEU   6   0.288  -5.691   9.007
   36   1HB   LEU   6          1HB       LEU   6  -0.156  -6.400  11.623
   37   2HB   LEU   6          2HB       LEU   6  -0.989  -4.862  11.514
   38    HG   LEU   6           HG       LEU   6  -1.523  -6.771   9.304
   39   1HD1  LEU   6          1HD1      LEU   6  -1.577  -7.749  11.945
   40   2HD1  LEU   6          2HD1      LEU   6  -3.272  -7.449  11.489
   41   3HD1  LEU   6          3HD1      LEU   6  -2.252  -8.503  10.481
   42   1HD2  LEU   6          1HD2      LEU   6  -2.569  -4.434   9.815
   43   2HD2  LEU   6          2HD2      LEU   6  -3.597  -5.766   9.236
   44   3HD2  LEU   6          3HD2      LEU   6  -3.576  -5.346  10.965
   45    H    SER   7           H        SER   7   0.678  -3.930   7.711
   46    HA   SER   7           HA       SER   7   0.572  -1.874   7.023
   47   1HB   SER   7          1HB       SER   7  -0.991  -0.365   7.935
   48   2HB   SER   7          2HB       SER   7  -1.611  -1.927   8.434
   49    HG   SER   7           HG       SER   7  -0.102  -0.041  10.025
   50    H    ALA   8           H        ALA   8   1.750   0.186   7.173
   51    HA   ALA   8           HA       ALA   8   3.226   1.640   8.036
   52   1HB   ALA   8          1HB       ALA   8   3.545   1.808  10.291
   53   2HB   ALA   8          2HB       ALA   8   2.205   0.637  10.349
   54   3HB   ALA   8          3HB       ALA   8   3.888   0.071  10.479
   55    H    ASN   9           H        ASN   9   4.392  -1.488   9.457
   56    HA   ASN   9           HA       ASN   9   6.955  -1.177   8.601
   57   1HB   ASN   9          1HB       ASN   9   5.646  -3.031  10.109
   58   2HB   ASN   9          2HB       ASN   9   5.808  -3.968   8.637
   59   2HD2  ASN   9          2HD2      ASN   9   7.028  -4.902  10.791
   60   1HD2  ASN   9          1HD2      ASN   9   8.748  -4.710  10.724
   61    H    GLN  10           H        GLN  10   4.541  -3.552   7.231
   62    HA   GLN  10           HA       GLN  10   5.944  -4.152   4.982
   63   1HB   GLN  10          1HB       GLN  10   3.591  -4.710   4.027
   64   2HB   GLN  10          2HB       GLN  10   4.107  -5.543   5.480
   65   1HG   GLN  10          1HG       GLN  10   2.709  -4.237   6.888
   66   2HG   GLN  10          2HG       GLN  10   2.572  -2.940   5.718
   67   2HE2  GLN  10          2HE2      GLN  10   2.119  -6.476   5.626
   68   1HE2  GLN  10          1HE2      GLN  10   0.522  -6.474   4.956
   69    H    CYS  11           H        CYS  11   4.202  -1.222   5.783
   70    HA   CYS  11           HA       CYS  11   4.434  -0.367   2.990
   71   1HB   CYS  11          1HB       CYS  11   2.743   1.176   4.879
   72   2HB   CYS  11          2HB       CYS  11   2.544   0.884   3.163
   73    H    ALA  12           H        ALA  12   6.763  -0.439   4.524
   74    HA   ALA  12           HA       ALA  12   7.088   2.366   5.348
   75   1HB   ALA  12          1HB       ALA  12   9.019   0.255   6.216
   76   2HB   ALA  12          2HB       ALA  12   7.398   0.221   6.949
   77   3HB   ALA  12          3HB       ALA  12   8.410   1.678   7.095
   78    H    VAL  13           H        VAL  13   7.132   2.068   2.677
   79    HA   VAL  13           HA       VAL  13   9.869   1.476   1.886
   80    HB   VAL  13           HB       VAL  13   7.921   2.452  -0.097
   81   1HG1  VAL  13          1HG1      VAL  13  10.172   0.577   0.114
   82   2HG1  VAL  13          2HG1      VAL  13   8.823  -0.039  -0.870
   83   3HG1  VAL  13          3HG1      VAL  13   9.586   1.516  -1.280
   84   1HG2  VAL  13          1HG2      VAL  13   7.359   0.043   1.622
   85   2HG2  VAL  13          2HG2      VAL  13   6.246   1.307   1.045
   86   3HG2  VAL  13          3HG2      VAL  13   6.855   0.074  -0.085
   87    HA   PRO  14           HA       PRO  14  10.963   5.655   1.762
   88   1HB   PRO  14          1HB       PRO  14  13.024   5.616  -0.032
   89   2HB   PRO  14          2HB       PRO  14  13.204   5.140   1.645
   90   1HG   PRO  14          1HG       PRO  14  13.073   3.430  -0.763
   91   2HG   PRO  14          2HG       PRO  14  13.667   3.030   0.837
   92   1HD   PRO  14          1HD       PRO  14  11.149   2.260  -0.302
   93   2HD   PRO  14          2HD       PRO  14  11.694   1.960   1.336
   94    H    ALA  15           H        ALA  15   9.278   4.224  -0.603
   95    HA   ALA  15           HA       ALA  15   7.830   5.251  -2.000
   96   1HB   ALA  15          1HB       ALA  15   9.395   7.785  -2.241
   97   2HB   ALA  15          2HB       ALA  15   7.637   7.534  -2.114
   98   3HB   ALA  15          3HB       ALA  15   8.657   7.441  -0.658
   99    H    LYS  16           H        LYS  16  11.359   5.390  -2.262
  100    HA   LYS  16           HA       LYS  16  11.235   5.476  -5.153
  101   1HB   LYS  16          1HB       LYS  16  13.659   5.577  -5.038
  102   2HB   LYS  16          2HB       LYS  16  12.948   6.770  -3.971
  103   1HG   LYS  16          1HG       LYS  16  14.444   5.878  -2.462
  104   2HG   LYS  16          2HG       LYS  16  13.146   4.730  -2.197
  105   1HD   LYS  16          1HD       LYS  16  14.610   3.091  -2.767
  106   2HD   LYS  16          2HD       LYS  16  14.497   3.668  -4.418
  107   1HE   LYS  16          1HE       LYS  16  16.509   4.863  -4.295
  108   2HE   LYS  16          2HE       LYS  16  16.378   5.125  -2.568
  109   1HZ   LYS  16          1HZ       LYS  16  16.691   2.402  -3.530
  110   2HZ   LYS  16          2HZ       LYS  16  18.001   3.376  -3.514
  111   3HZ   LYS  16          3HZ       LYS  16  17.197   3.068  -2.127
  112    H    ASP  17           H        ASP  17  10.292   3.198  -3.123
  113    HA   ASP  17           HA       ASP  17  11.494   1.113  -4.756
  114   1HB   ASP  17          1HB       ASP  17  11.798   1.484  -1.923
  115   2HB   ASP  17          2HB       ASP  17  10.745   0.100  -2.138
  116    H    ARG  18           H        ARG  18   8.856   2.771  -4.575
  117    HA   ARG  18           HA       ARG  18   6.930   0.926  -3.652
  118   1HB   ARG  18          1HB       ARG  18   6.404   3.272  -5.529
  119   2HB   ARG  18          2HB       ARG  18   5.303   2.573  -4.358
  120   1HG   ARG  18          1HG       ARG  18   7.927   3.720  -3.382
  121   2HG   ARG  18          2HG       ARG  18   6.633   4.822  -3.809
  122   1HD   ARG  18          1HD       ARG  18   5.295   2.917  -2.269
  123   2HD   ARG  18          2HD       ARG  18   6.858   2.994  -1.482
  124    HE   ARG  18           HE       ARG  18   5.597   5.601  -2.099
  125   1HH1  ARG  18          1HH1      ARG  18   6.217   3.103   0.300
  126   2HH1  ARG  18          2HH1      ARG  18   5.880   4.136   1.649
  127   1HH2  ARG  18          1HH2      ARG  18   5.153   6.964  -0.320
  128   2HH2  ARG  18          2HH2      ARG  18   5.271   6.347   1.294
  129    H    VAL  19           H        VAL  19   5.699  -0.568  -4.850
  130    HA   VAL  19           HA       VAL  19   6.615  -0.993  -7.584
  131    HB   VAL  19           HB       VAL  19   4.943  -2.715  -5.743
  132   1HG1  VAL  19          1HG1      VAL  19   5.770  -2.959  -8.567
  133   2HG1  VAL  19          2HG1      VAL  19   6.092  -4.398  -7.569
  134   3HG1  VAL  19          3HG1      VAL  19   4.440  -3.747  -7.684
  135   1HG2  VAL  19          1HG2      VAL  19   7.911  -2.546  -6.239
  136   2HG2  VAL  19          2HG2      VAL  19   7.027  -2.658  -4.698
  137   3HG2  VAL  19          3HG2      VAL  19   7.156  -4.084  -5.755
  138    H    ASP  20           H        ASP  20   4.243   0.749  -5.975
  139    HA   ASP  20           HA       ASP  20   2.320   1.593  -6.517
  140   1HB   ASP  20          1HB       ASP  20   3.346   2.586  -8.425
  141   2HB   ASP  20          2HB       ASP  20   3.500   1.052  -9.256
  142    H    CYS  21           H        CYS  21   0.626   0.253  -5.804
  143    HA   CYS  21           HA       CYS  21   0.187  -2.291  -6.988
  144   1HB   CYS  21          1HB       CYS  21  -0.371  -1.193  -4.561
  145   2HB   CYS  21          2HB       CYS  21  -1.947  -1.109  -5.323
  146    H    GLY  22           H        GLY  22  -0.820   1.029  -7.535
  147   1HA   GLY  22          1HA       GLY  22  -2.154   0.393  -9.946
  148   2HA   GLY  22          2HA       GLY  22  -2.092   1.951  -9.147
  149    H    TYR  23           H        TYR  23  -3.774   2.608  -7.718
  150    HA   TYR  23           HA       TYR  23  -6.180   0.961  -7.965
  151   1HB   TYR  23          1HB       TYR  23  -4.640   1.943  -5.536
  152   2HB   TYR  23          2HB       TYR  23  -6.388   1.999  -5.425
  153    HD1  TYR  23           HD1      TYR  23  -7.629  -0.256  -6.095
  154    HD2  TYR  23           HD2      TYR  23  -3.534   0.001  -4.882
  155    HE1  TYR  23           HE1      TYR  23  -7.659  -2.714  -5.446
  156    HE2  TYR  23           HE2      TYR  23  -3.579  -2.457  -4.236
  157    HH   TYR  23           HH       TYR  23  -5.530  -4.084  -3.482
  158    HA   PRO  24           HA       PRO  24  -7.955   4.829  -8.760
  159   1HB   PRO  24          1HB       PRO  24 -10.604   4.248  -8.417
  160   2HB   PRO  24          2HB       PRO  24  -9.721   3.864  -9.881
  161   1HG   PRO  24          1HG       PRO  24 -10.597   2.052  -7.716
  162   2HG   PRO  24          2HG       PRO  24 -10.106   1.653  -9.350
  163   1HD   PRO  24          1HD       PRO  24  -8.548   1.331  -6.963
  164   2HD   PRO  24          2HD       PRO  24  -8.017   1.042  -8.608
  165    H    HIS  25           H        HIS  25 -10.131   3.629  -6.267
  166    HA   HIS  25           HA       HIS  25  -9.777   6.162  -4.924
  167   1HB   HIS  25          1HB       HIS  25 -11.712   5.588  -3.669
  168   2HB   HIS  25          2HB       HIS  25 -12.029   5.178  -5.343
  169    HD1  HIS  25           HD1      HIS  25 -13.719   3.828  -3.202
  170    HD2  HIS  25           HD2      HIS  25 -10.122   2.212  -4.633
  171    HE1  HIS  25           HE1      HIS  25 -13.820   1.324  -2.723
  172    HE2  HIS  25           HE2      HIS  25 -11.607   0.377  -3.674
  173    H    VAL  26           H        VAL  26  -7.569   5.919  -4.210
  174    HA   VAL  26           HA       VAL  26  -7.086   3.733  -2.349
  175    HB   VAL  26           HB       VAL  26  -4.760   4.602  -2.414
  176   1HG1  VAL  26          1HG1      VAL  26  -6.058   3.927  -5.075
  177   2HG1  VAL  26          2HG1      VAL  26  -4.306   3.895  -4.763
  178   3HG1  VAL  26          3HG1      VAL  26  -5.386   2.786  -3.885
  179   1HG2  VAL  26          1HG2      VAL  26  -5.599   6.976  -3.066
  180   2HG2  VAL  26          2HG2      VAL  26  -4.075   6.376  -3.764
  181   3HG2  VAL  26          3HG2      VAL  26  -5.568   6.351  -4.733
  182    H    THR  27           H        THR  27  -6.791   4.010  -0.140
  183    HA   THR  27           HA       THR  27  -6.637   6.683   0.942
  184    HB   THR  27           HB       THR  27  -8.764   6.707   1.987
  185    HG1  THR  27           HG1      THR  27  -8.400   3.859   1.539
  186   1HG2  THR  27          1HG2      THR  27  -9.228   5.035  -0.539
  187   2HG2  THR  27          2HG2      THR  27 -10.486   5.927   0.350
  188   3HG2  THR  27          3HG2      THR  27  -9.183   6.813  -0.477
  189    HA   PRO  28           HA       PRO  28  -4.685   4.635   4.174
  190   1HB   PRO  28          1HB       PRO  28  -5.483   5.910   6.456
  191   2HB   PRO  28          2HB       PRO  28  -4.288   6.570   5.357
  192   1HG   PRO  28          1HG       PRO  28  -7.110   7.371   5.727
  193   2HG   PRO  28          2HG       PRO  28  -5.806   8.264   4.970
  194   1HD   PRO  28          1HD       PRO  28  -7.930   6.870   3.639
  195   2HD   PRO  28          2HD       PRO  28  -6.563   7.664   2.883
  196    H    LYS  29           H        LYS  29  -6.975   3.264   3.248
  197    HA   LYS  29           HA       LYS  29  -7.154   1.345   5.242
  198   1HB   LYS  29          1HB       LYS  29  -8.512   3.365   6.232
  199   2HB   LYS  29          2HB       LYS  29  -9.762   2.832   5.127
  200   1HG   LYS  29          1HG       LYS  29  -8.550   0.575   6.585
  201   2HG   LYS  29          2HG       LYS  29  -9.228   1.768   7.675
  202   1HD   LYS  29          1HD       LYS  29 -11.074   1.365   5.472
  203   2HD   LYS  29          2HD       LYS  29 -10.628  -0.200   6.124
  204   1HE   LYS  29          1HE       LYS  29 -12.174   0.184   7.751
  205   2HE   LYS  29          2HE       LYS  29 -11.026   1.317   8.436
  206   1HZ   LYS  29          1HZ       LYS  29 -12.027   2.996   6.925
  207   2HZ   LYS  29          2HZ       LYS  29 -13.206   1.922   6.571
  208   3HZ   LYS  29          3HZ       LYS  29 -13.024   2.460   8.103
  209    H    GLU  30           H        GLU  30  -9.146   3.025   2.715
  210    HA   GLU  30           HA       GLU  30 -10.259   0.663   1.765
  211   1HB   GLU  30          1HB       GLU  30 -11.188   2.937   1.352
  212   2HB   GLU  30          2HB       GLU  30  -9.819   3.317   0.326
  213   1HG   GLU  30          1HG       GLU  30 -10.745   2.244  -1.451
  214   2HG   GLU  30          2HG       GLU  30 -11.023   0.790  -0.513
  215    H    CYS  31           H        CYS  31  -7.215   2.387   1.061
  216    HA   CYS  31           HA       CYS  31  -6.662   0.839  -1.266
  217   1HB   CYS  31          1HB       CYS  31  -5.648   2.889  -1.381
  218   2HB   CYS  31          2HB       CYS  31  -5.246   2.925   0.325
  219    H    ASN  32           H        ASN  32  -6.096   0.690   2.247
  220    HA   ASN  32           HA       ASN  32  -4.216  -1.461   1.913
  221   1HB   ASN  32          1HB       ASN  32  -5.390  -0.517   4.561
  222   2HB   ASN  32          2HB       ASN  32  -3.825  -1.252   4.279
  223   2HD2  ASN  32          2HD2      ASN  32  -5.788   1.624   3.845
  224   1HD2  ASN  32          1HD2      ASN  32  -4.502   2.767   3.644
  225    H    ASN  33           H        ASN  33  -7.511  -1.134   1.699
  226    HA   ASN  33           HA       ASN  33  -8.095  -3.502   3.270
  227   1HB   ASN  33          1HB       ASN  33  -9.610  -1.578   3.617
  228   2HB   ASN  33          2HB       ASN  33  -9.902  -1.446   1.894
  229   2HD2  ASN  33          2HD2      ASN  33 -12.131  -1.633   2.378
  230   1HD2  ASN  33          1HD2      ASN  33 -12.876  -3.172   2.655
  231    H    ARG  34           H        ARG  34  -8.230  -2.032  -0.024
  232    HA   ARG  34           HA       ARG  34  -9.591  -4.030  -1.299
  233   1HB   ARG  34          1HB       ARG  34  -8.524  -1.648  -2.064
  234   2HB   ARG  34          2HB       ARG  34  -7.307  -2.705  -2.751
  235   1HG   ARG  34          1HG       ARG  34 -10.308  -2.969  -3.262
  236   2HG   ARG  34          2HG       ARG  34  -9.186  -2.174  -4.348
  237   1HD   ARG  34          1HD       ARG  34  -7.857  -4.492  -4.174
  238   2HD   ARG  34          2HD       ARG  34  -9.421  -5.117  -3.689
  239    HE   ARG  34           HE       ARG  34  -9.695  -3.475  -6.051
  240   1HH1  ARG  34          1HH1      ARG  34  -8.592  -6.643  -4.991
  241   2HH1  ARG  34          2HH1      ARG  34  -8.879  -7.398  -6.523
  242   1HH2  ARG  34          1HH2      ARG  34 -10.075  -4.469  -8.073
  243   2HH2  ARG  34          2HH2      ARG  34  -9.729  -6.153  -8.288
  244    H    GLY  35           H        GLY  35  -6.254  -3.867  -0.132
  245   1HA   GLY  35          1HA       GLY  35  -5.693  -6.473  -1.419
  246   2HA   GLY  35          2HA       GLY  35  -5.294  -6.111   0.248
  247    H    CYS  36           H        CYS  36  -3.830  -4.132   0.625
  248    HA   CYS  36           HA       CYS  36  -1.449  -4.474  -0.627
  249   1HB   CYS  36          1HB       CYS  36  -3.160  -3.175  -2.423
  250   2HB   CYS  36          2HB       CYS  36  -2.138  -1.904  -1.781
  251    H    CYS  37           H        CYS  37  -0.616  -1.621  -0.662
  252    HA   CYS  37           HA       CYS  37  -1.207  -0.940   2.126
  253   1HB   CYS  37          1HB       CYS  37   1.407  -1.147   0.699
  254   2HB   CYS  37          2HB       CYS  37   1.216   0.121   1.893
  255    H    PHE  38           H        PHE  38  -1.177   1.413   2.564
  256    HA   PHE  38           HA       PHE  38  -1.573   2.966   0.102
  257   1HB   PHE  38          1HB       PHE  38  -3.651   2.621   1.424
  258   2HB   PHE  38          2HB       PHE  38  -2.825   3.048   2.909
  259    HD1  PHE  38           HD1      PHE  38  -4.134   4.391  -0.268
  260    HD2  PHE  38           HD2      PHE  38  -2.575   5.323   3.567
  261    HE1  PHE  38           HE1      PHE  38  -4.844   6.781  -0.560
  262    HE2  PHE  38           HE2      PHE  38  -3.285   7.713   3.275
  263    HZ   PHE  38           HZ       PHE  38  -4.411   8.413   1.215
  264    H    ASP  39           H        ASP  39  -1.393   5.476   0.692
  265    HA   ASP  39           HA       ASP  39   0.217   6.259   2.771
  266   1HB   ASP  39          1HB       ASP  39   2.021   4.966   1.729
  267   2HB   ASP  39          2HB       ASP  39   1.701   5.690   0.166
  268    H    SER  40           H        SER  40   0.334   8.587   2.732
  269    HA   SER  40           HA       SER  40  -0.458   9.813   0.215
  270   1HB   SER  40          1HB       SER  40  -1.986  11.327   1.390
  271   2HB   SER  40          2HB       SER  40  -2.448   9.665   1.697
  272    HG   SER  40           HG       SER  40  -0.836  10.091   3.678
  273    H    ARG  41           H        ARG  41   2.081   9.389   2.010
  274    HA   ARG  41           HA       ARG  41   2.752  11.793   3.148
  275   1HB   ARG  41          1HB       ARG  41   3.939   9.350   2.993
  276   2HB   ARG  41          2HB       ARG  41   4.910  10.183   1.795
  277   1HG   ARG  41          1HG       ARG  41   5.056  12.074   3.683
  278   2HG   ARG  41          2HG       ARG  41   4.653  10.746   4.754
  279   1HD   ARG  41          1HD       ARG  41   6.639   9.549   4.241
  280   2HD   ARG  41          2HD       ARG  41   6.872  10.386   2.719
  281    HE   ARG  41           HE       ARG  41   7.957  12.127   3.857
  282   1HH1  ARG  41          1HH1      ARG  41   6.216  10.127   6.170
  283   2HH1  ARG  41          2HH1      ARG  41   6.903  10.906   7.556
  284   1HH2  ARG  41          1HH2      ARG  41   8.865  13.156   5.685
  285   2HH2  ARG  41          2HH2      ARG  41   8.420  12.641   7.278
  286    H    ILE  42           H        ILE  42   3.374  10.492  -0.182
  287    HA   ILE  42           HA       ILE  42   3.571  13.232  -1.128
  288    HB   ILE  42           HB       ILE  42   5.597  12.063  -2.536
  289   1HG1  ILE  42          1HG1      ILE  42   7.137  11.086  -0.857
  290   2HG1  ILE  42          2HG1      ILE  42   5.851  11.117   0.334
  291   1HG2  ILE  42          1HG2      ILE  42   5.492  14.349  -1.610
  292   2HG2  ILE  42          2HG2      ILE  42   5.878  13.697   0.000
  293   3HG2  ILE  42          3HG2      ILE  42   7.062  13.560  -1.322
  294   1HD1  ILE  42          1HD1      ILE  42   5.052   9.841  -2.220
  295   2HD1  ILE  42          2HD1      ILE  42   6.374   9.003  -1.373
  296   3HD1  ILE  42          3HD1      ILE  42   4.822   9.279  -0.547
  297    HA   PRO  43           HA       PRO  43   1.183  11.355  -4.214
  298   1HB   PRO  43          1HB       PRO  43   0.969  13.468  -5.934
  299   2HB   PRO  43          2HB       PRO  43  -0.047  13.278  -4.519
  300   1HG   PRO  43          1HG       PRO  43   2.228  15.119  -4.933
  301   2HG   PRO  43          2HG       PRO  43   0.957  15.199  -3.729
  302   1HD   PRO  43          1HD       PRO  43   3.660  14.333  -3.315
  303   2HD   PRO  43          2HD       PRO  43   2.359  14.304  -2.142
  304    H    GLY  44           H        GLY  44   4.109  13.045  -5.113
  305   1HA   GLY  44          1HA       GLY  44   5.794  12.289  -6.435
  306   2HA   GLY  44          2HA       GLY  44   4.538  12.344  -7.656
  307    H    VAL  45           H        VAL  45   4.900  10.130  -4.806
  308    HA   VAL  45           HA       VAL  45   5.496   7.940  -6.617
  309    HB   VAL  45           HB       VAL  45   6.334   6.847  -4.804
  310   1HG1  VAL  45          1HG1      VAL  45   7.105   9.447  -5.047
  311   2HG1  VAL  45          2HG1      VAL  45   6.633   9.398  -3.331
  312   3HG1  VAL  45          3HG1      VAL  45   7.866   8.272  -3.947
  313   1HG2  VAL  45          1HG2      VAL  45   4.211   8.267  -3.205
  314   2HG2  VAL  45          2HG2      VAL  45   4.498   6.522  -3.404
  315   3HG2  VAL  45          3HG2      VAL  45   5.596   7.496  -2.396
  316    HA   PRO  46           HA       PRO  46   1.553   6.175  -6.400
  317   1HB   PRO  46          1HB       PRO  46   1.972   3.498  -6.046
  318   2HB   PRO  46          2HB       PRO  46   2.170   4.303  -7.590
  319   1HG   PRO  46          1HG       PRO  46   4.248   3.337  -5.723
  320   2HG   PRO  46          2HG       PRO  46   4.401   3.745  -7.420
  321   1HD   PRO  46          1HD       PRO  46   5.247   5.338  -5.190
  322   2HD   PRO  46          2HD       PRO  46   5.294   5.794  -6.881
  323    H    TRP  47           H        TRP  47   0.602   7.254  -4.676
  324    HA   TRP  47           HA       TRP  47   0.940   6.954  -2.089
  325   1HB   TRP  47          1HB       TRP  47  -1.521   7.233  -3.739
  326   2HB   TRP  47          2HB       TRP  47  -1.730   6.882  -2.034
  327    HD1  TRP  47           HD1      TRP  47   1.184   9.151  -3.122
  328    HE1  TRP  47           HE1      TRP  47   0.836  11.629  -2.283
  329    HE3  TRP  47           HE3      TRP  47  -3.564   8.469  -1.436
  330    HZ2  TRP  47           HZ2      TRP  47  -1.338  12.995  -1.037
  331    HZ3  TRP  47           HZ3      TRP  47  -4.728  10.426  -0.421
  332    HH2  TRP  47           HH2      TRP  47  -3.692  12.629  -0.208
  333    H    CYS  48           H        CYS  48  -1.018   4.639  -4.101
  334    HA   CYS  48           HA       CYS  48  -0.941   2.765  -1.887
  335   1HB   CYS  48          1HB       CYS  48  -3.015   3.365  -3.345
  336   2HB   CYS  48          2HB       CYS  48  -2.307   2.271  -4.517
  337    H    PHE  49           H        PHE  49   0.884   1.495  -1.795
  338    HA   PHE  49           HA       PHE  49   1.867   0.438  -4.346
  339   1HB   PHE  49          1HB       PHE  49   4.171   0.627  -3.117
  340   2HB   PHE  49          2HB       PHE  49   3.467   2.132  -3.674
  341    HD1  PHE  49           HD1      PHE  49   3.614  -0.044  -0.651
  342    HD2  PHE  49           HD2      PHE  49   3.227   3.894  -2.184
  343    HE1  PHE  49           HE1      PHE  49   3.737   0.876   1.681
  344    HE2  PHE  49           HE2      PHE  49   3.349   4.814   0.148
  345    HZ   PHE  49           HZ       PHE  49   3.603   3.294   2.053
  346    H    LYS  50           H        LYS  50   3.233  -1.581  -4.033
  347    HA   LYS  50           HA       LYS  50   1.809  -3.389  -2.406
  348   1HB   LYS  50          1HB       LYS  50   4.479  -3.821  -3.771
  349   2HB   LYS  50          2HB       LYS  50   3.330  -5.046  -3.274
  350   1HG   LYS  50          1HG       LYS  50   1.623  -3.869  -4.833
  351   2HG   LYS  50          2HG       LYS  50   2.981  -2.963  -5.470
  352   1HD   LYS  50          1HD       LYS  50   2.896  -4.788  -6.947
  353   2HD   LYS  50          2HD       LYS  50   4.110  -5.319  -5.801
  354   1HE   LYS  50          1HE       LYS  50   2.630  -6.829  -4.723
  355   2HE   LYS  50          2HE       LYS  50   1.199  -5.991  -5.290
  356   1HZ   LYS  50          1HZ       LYS  50   3.057  -7.400  -7.076
  357   2HZ   LYS  50          2HZ       LYS  50   1.696  -8.070  -6.470
  358   3HZ   LYS  50          3HZ       LYS  50   1.597  -6.782  -7.469
  359    HA   PRO  51           HA       PRO  51   4.104  -3.332   1.249
  360   1HB   PRO  51          1HB       PRO  51   4.201  -5.949   2.029
  361   2HB   PRO  51          2HB       PRO  51   2.786  -4.938   2.242
  362   1HG   PRO  51          1HG       PRO  51   3.250  -7.083   0.262
  363   2HG   PRO  51          2HG       PRO  51   1.733  -6.366   0.768
  364   1HD   PRO  51          1HD       PRO  51   3.144  -5.850  -1.675
  365   2HD   PRO  51          2HD       PRO  51   1.690  -5.049  -1.116
  366    H    LEU  52           H        LEU  52   6.136  -2.700   1.547
  367    HA   LEU  52           HA       LEU  52   8.192  -3.213  -0.017
  368   1HB   LEU  52          1HB       LEU  52   8.362  -1.709   1.814
  369   2HB   LEU  52          2HB       LEU  52   8.156  -2.994   2.988
  370    HG   LEU  52           HG       LEU  52  10.541  -2.749   1.134
  371   1HD1  LEU  52          1HD1      LEU  52  10.126  -0.905   2.940
  372   2HD1  LEU  52          2HD1      LEU  52  10.665  -2.167   4.074
  373   3HD1  LEU  52          3HD1      LEU  52  11.739  -1.636   2.758
  374   1HD2  LEU  52          1HD2      LEU  52   9.622  -4.815   2.981
  375   2HD2  LEU  52          2HD2      LEU  52  10.879  -4.872   1.722
  376   3HD2  LEU  52          3HD2      LEU  52  11.270  -4.249   3.343
  377    H    GLN  53           H        GLN  53   9.726  -4.799  -0.467
  378    HA   GLN  53           HA       GLN  53   8.884  -7.418  -0.062
  379   1HB   GLN  53          1HB       GLN  53  11.209  -6.037  -1.309
  380   2HB   GLN  53          2HB       GLN  53  11.526  -7.680  -0.788
  381   1HG   GLN  53          1HG       GLN  53  10.554  -8.359  -2.727
  382   2HG   GLN  53          2HG       GLN  53   9.020  -7.900  -2.014
  383   2HE2  GLN  53          2HE2      GLN  53   8.785  -5.345  -2.009
  384   1HE2  GLN  53          1HE2      GLN  53   8.984  -4.600  -3.560
  385    H    GLU  54           H        GLU  54   8.599  -7.390   2.339
  386    HA   GLU  54           HA       GLU  54  10.461  -6.900   4.180
  387   1HB   GLU  54          1HB       GLU  54   9.190  -8.219   5.655
  388   2HB   GLU  54          2HB       GLU  54   8.033  -7.828   4.398
  389   1HG   GLU  54          1HG       GLU  54   7.723 -10.145   4.619
  390   2HG   GLU  54          2HG       GLU  54   8.840 -10.068   3.272
  391    H    ALA  55           H        ALA  55  12.504  -7.603   4.638
  392    HA   ALA  55           HA       ALA  55  13.180 -10.367   4.092
  393   1HB   ALA  55          1HB       ALA  55  14.571 -10.002   2.348
  394   2HB   ALA  55          2HB       ALA  55  15.242  -8.526   3.083
  395   3HB   ALA  55          3HB       ALA  55  13.722  -8.449   2.160
  396    H    GLU  56           H        GLU  56  14.883  -7.224   4.770
  397    HA   GLU  56           HA       GLU  56  16.147  -8.552   7.001
  398   1HB   GLU  56          1HB       GLU  56  16.648  -5.880   5.629
  399   2HB   GLU  56          2HB       GLU  56  17.513  -6.386   7.066
  400   1HG   GLU  56          1HG       GLU  56  17.403  -8.326   4.764
  401   2HG   GLU  56          2HG       GLU  56  18.424  -6.914   4.577
  402    H    CYS  57           H        CYS  57  16.399  -7.223   9.098
  403    HA   CYS  57           HA       CYS  57  13.899  -6.714  10.139
  404   1HB   CYS  57          1HB       CYS  57  16.515  -6.890  11.094
  405   2HB   CYS  57          2HB       CYS  57  16.008  -5.269  11.526
  406    H    THR  58           H        THR  58  16.557  -4.383   9.245
  407    HA   THR  58           HA       THR  58  14.633  -2.200   9.328
  408    HB   THR  58           HB       THR  58  16.738  -0.842   9.036
  409    HG1  THR  58           HG1      THR  58  18.307  -2.067   8.064
  410   1HG2  THR  58          1HG2      THR  58  16.118  -1.641  11.367
  411   2HG2  THR  58          2HG2      THR  58  17.116  -3.088  11.085
  412   3HG2  THR  58          3HG2      THR  58  17.874  -1.478  11.128
  413    H    PHE  59           H        PHE  59  17.009  -3.593   6.964
  414    HA   PHE  59           HA       PHE  59  15.712  -2.128   4.853
  415   1HB   PHE  59          1HB       PHE  59  18.251  -3.278   5.445
  416   2HB   PHE  59          2HB       PHE  59  17.617  -4.309   4.178
  417    HD1  PHE  59           HD1      PHE  59  16.716  -3.087   2.055
  418    HD2  PHE  59           HD2      PHE  59  19.337  -1.306   4.878
  419    HE1  PHE  59           HE1      PHE  59  17.432  -1.409   0.331
  420    HE2  PHE  59           HE2      PHE  59  20.052   0.373   3.154
  421    HZ   PHE  59           HZ       PHE  59  19.091   0.301   0.901

  No H/Q in entry =         421
  Start of MODEL   48
    1    H    GLU   1           H        GLU   1  -0.051  -1.594  22.750
    2    HA   GLU   1           HA       GLU   1   1.454  -3.194  22.552
    3   1HB   GLU   1          1HB       GLU   1  -1.035  -3.975  21.163
    4   2HB   GLU   1          2HB       GLU   1   0.340  -4.960  20.702
    5   1HG   GLU   1          1HG       GLU   1  -0.067  -6.144  22.605
    6   2HG   GLU   1          2HG       GLU   1   0.667  -4.800  23.456
    7    H    GLU   2           H        GLU   2   3.038  -4.444  21.182
    8    HA   GLU   2           HA       GLU   2   3.873  -2.740  19.030
    9   1HB   GLU   2          1HB       GLU   2   5.926  -4.209  19.063
   10   2HB   GLU   2          2HB       GLU   2   5.586  -3.425  20.593
   11   1HG   GLU   2          1HG       GLU   2   5.347  -5.421  21.651
   12   2HG   GLU   2          2HG       GLU   2   4.177  -5.975  20.469
   13    H    TYR   3           H        TYR   3   3.154  -3.082  16.977
   14    HA   TYR   3           HA       TYR   3   2.418  -5.833  16.259
   15   1HB   TYR   3          1HB       TYR   3   1.080  -3.367  16.146
   16   2HB   TYR   3          2HB       TYR   3   1.773  -3.447  14.539
   17    HD1  TYR   3           HD1      TYR   3  -0.349  -5.381  16.931
   18    HD2  TYR   3           HD2      TYR   3   0.721  -4.697  12.845
   19    HE1  TYR   3           HE1      TYR   3  -2.262  -6.874  16.172
   20    HE2  TYR   3           HE2      TYR   3  -1.195  -6.193  12.101
   21    HH   TYR   3           HH       TYR   3  -3.001  -8.086  14.399
   22    H    VAL   4           H        VAL   4   2.683  -6.252  13.782
   23    HA   VAL   4           HA       VAL   4   4.645  -4.850  12.363
   24    HB   VAL   4           HB       VAL   4   6.031  -5.830  14.224
   25   1HG1  VAL   4          1HG1      VAL   4   4.692  -8.046  14.136
   26   2HG1  VAL   4          2HG1      VAL   4   5.771  -8.470  12.786
   27   3HG1  VAL   4          3HG1      VAL   4   6.451  -8.126  14.394
   28   1HG2  VAL   4          1HG2      VAL   4   6.609  -6.512  11.329
   29   2HG2  VAL   4          2HG2      VAL   4   7.152  -5.094  12.259
   30   3HG2  VAL   4          3HG2      VAL   4   7.805  -6.707  12.633
   31    H    GLY   5           H        GLY   5   1.977  -5.960  12.051
   32   1HA   GLY   5          1HA       GLY   5   1.132  -8.040  11.011
   33   2HA   GLY   5          2HA       GLY   5   2.539  -7.986   9.967
   34    H    LEU   6           H        LEU   6   2.240  -7.094   7.975
   35    HA   LEU   6           HA       LEU   6   1.605  -5.548   6.473
   36   1HB   LEU   6          1HB       LEU   6  -0.671  -5.863   5.786
   37   2HB   LEU   6          2HB       LEU   6   0.036  -7.394   6.262
   38    HG   LEU   6           HG       LEU   6  -1.390  -6.072   8.458
   39   1HD1  LEU   6          1HD1      LEU   6  -2.637  -5.496   6.187
   40   2HD1  LEU   6          2HD1      LEU   6  -3.245  -7.157   6.387
   41   3HD1  LEU   6          3HD1      LEU   6  -3.523  -5.948   7.663
   42   1HD2  LEU   6          1HD2      LEU   6  -1.474  -8.815   7.182
   43   2HD2  LEU   6          2HD2      LEU   6  -0.665  -8.333   8.693
   44   3HD2  LEU   6          3HD2      LEU   6  -2.442  -8.343   8.599
   45    H    SER   7           H        SER   7   2.487  -3.897   8.192
   46    HA   SER   7           HA       SER   7   0.766  -1.725   8.087
   47   1HB   SER   7          1HB       SER   7   0.616  -1.419  10.667
   48   2HB   SER   7          2HB       SER   7  -0.521  -2.509   9.898
   49    HG   SER   7           HG       SER   7   1.975  -3.368  11.092
   50    H    ALA   8           H        ALA   8   2.182  -0.030   7.868
   51    HA   ALA   8           HA       ALA   8   3.998   1.221   8.049
   52   1HB   ALA   8          1HB       ALA   8   4.319  -0.291  10.672
   53   2HB   ALA   8          2HB       ALA   8   5.282   1.131  10.204
   54   3HB   ALA   8          3HB       ALA   8   3.523   1.283  10.432
   55    H    ASN   9           H        ASN   9   5.471  -1.578   9.770
   56    HA   ASN   9           HA       ASN   9   7.765  -1.615   8.419
   57   1HB   ASN   9          1HB       ASN   9   6.276  -4.172   9.202
   58   2HB   ASN   9          2HB       ASN   9   8.014  -3.956   9.126
   59   2HD2  ASN   9          2HD2      ASN   9   9.069  -3.376  10.879
   60   1HD2  ASN   9          1HD2      ASN   9   8.384  -2.769  12.349
   61    H    GLN  10           H        GLN  10   4.563  -2.701   7.349
   62    HA   GLN  10           HA       GLN  10   5.661  -4.138   5.114
   63   1HB   GLN  10          1HB       GLN  10   3.431  -4.566   6.592
   64   2HB   GLN  10          2HB       GLN  10   2.721  -3.576   5.332
   65   1HG   GLN  10          1HG       GLN  10   2.596  -5.472   4.084
   66   2HG   GLN  10          2HG       GLN  10   4.331  -5.336   3.877
   67   2HE2  GLN  10          2HE2      GLN  10   1.902  -7.332   4.782
   68   1HE2  GLN  10          1HE2      GLN  10   2.741  -8.460   5.794
   69    H    CYS  11           H        CYS  11   4.105  -1.026   5.902
   70    HA   CYS  11           HA       CYS  11   4.337  -0.309   3.070
   71   1HB   CYS  11          1HB       CYS  11   2.638   1.274   4.945
   72   2HB   CYS  11          2HB       CYS  11   2.491   1.050   3.213
   73    H    ALA  12           H        ALA  12   6.666  -0.330   4.589
   74    HA   ALA  12           HA       ALA  12   7.018   2.504   5.295
   75   1HB   ALA  12          1HB       ALA  12   9.080   1.380   6.543
   76   2HB   ALA  12          2HB       ALA  12   7.462   1.406   7.285
   77   3HB   ALA  12          3HB       ALA  12   8.044  -0.065   6.470
   78    H    VAL  13           H        VAL  13   7.063   2.174   2.658
   79    HA   VAL  13           HA       VAL  13   9.776   1.474   1.865
   80    HB   VAL  13           HB       VAL  13   7.850   2.461  -0.134
   81   1HG1  VAL  13          1HG1      VAL  13  10.056   0.550   0.108
   82   2HG1  VAL  13          2HG1      VAL  13   8.680  -0.094  -0.819
   83   3HG1  VAL  13          3HG1      VAL  13   9.452   1.431  -1.316
   84   1HG2  VAL  13          1HG2      VAL  13   7.224   0.099   1.633
   85   2HG2  VAL  13          2HG2      VAL  13   6.150   1.399   1.062
   86   3HG2  VAL  13          3HG2      VAL  13   6.695   0.135  -0.067
   87    HA   PRO  14           HA       PRO  14  10.993   5.613   1.622
   88   1HB   PRO  14          1HB       PRO  14  13.006   5.483  -0.222
   89   2HB   PRO  14          2HB       PRO  14  13.214   5.029   1.457
   90   1HG   PRO  14          1HG       PRO  14  12.971   3.285  -0.918
   91   2HG   PRO  14          2HG       PRO  14  13.593   2.893   0.673
   92   1HD   PRO  14          1HD       PRO  14  11.025   2.182  -0.389
   93   2HD   PRO  14          2HD       PRO  14  11.602   1.891   1.240
   94    H    ALA  15           H        ALA  15   9.172   4.217  -0.642
   95    HA   ALA  15           HA       ALA  15   7.742   5.237  -2.047
   96   1HB   ALA  15          1HB       ALA  15   8.745   7.440  -0.742
   97   2HB   ALA  15          2HB       ALA  15   7.522   7.497  -2.034
   98   3HB   ALA  15          3HB       ALA  15   9.238   7.764  -2.422
   99    H    LYS  16           H        LYS  16  11.262   5.303  -2.361
  100    HA   LYS  16           HA       LYS  16  11.098   5.411  -5.251
  101   1HB   LYS  16          1HB       LYS  16  13.526   5.463  -5.171
  102   2HB   LYS  16          2HB       LYS  16  12.853   6.667  -4.090
  103   1HG   LYS  16          1HG       LYS  16  14.367   5.737  -2.617
  104   2HG   LYS  16          2HG       LYS  16  13.037   4.636  -2.315
  105   1HD   LYS  16          1HD       LYS  16  14.495   2.972  -2.857
  106   2HD   LYS  16          2HD       LYS  16  14.246   3.458  -4.522
  107   1HE   LYS  16          1HE       LYS  16  16.203   4.915  -4.475
  108   2HE   LYS  16          2HE       LYS  16  16.373   4.730  -2.741
  109   1HZ   LYS  16          1HZ       LYS  16  16.628   2.543  -4.687
  110   2HZ   LYS  16          2HZ       LYS  16  17.876   3.311  -3.968
  111   3HZ   LYS  16          3HZ       LYS  16  16.846   2.413  -3.074
  112    H    ASP  17           H        ASP  17  10.271   3.130  -3.091
  113    HA   ASP  17           HA       ASP  17  11.359   1.031  -4.794
  114   1HB   ASP  17          1HB       ASP  17  11.771   1.406  -1.992
  115   2HB   ASP  17          2HB       ASP  17  10.643   0.072  -2.133
  116    H    ARG  18           H        ARG  18   8.753   2.711  -4.604
  117    HA   ARG  18           HA       ARG  18   6.815   0.917  -3.609
  118   1HB   ARG  18          1HB       ARG  18   6.302   3.228  -5.533
  119   2HB   ARG  18          2HB       ARG  18   5.199   2.567  -4.342
  120   1HG   ARG  18          1HG       ARG  18   7.845   3.693  -3.401
  121   2HG   ARG  18          2HG       ARG  18   6.567   4.808  -3.847
  122   1HD   ARG  18          1HD       ARG  18   5.229   2.921  -2.257
  123   2HD   ARG  18          2HD       ARG  18   6.787   3.065  -1.468
  124    HE   ARG  18           HE       ARG  18   5.446   5.608  -2.194
  125   1HH1  ARG  18          1HH1      ARG  18   6.204   3.251   0.307
  126   2HH1  ARG  18          2HH1      ARG  18   5.860   4.336   1.612
  127   1HH2  ARG  18          1HH2      ARG  18   4.992   7.040  -0.472
  128   2HH2  ARG  18          2HH2      ARG  18   5.166   6.506   1.166
  129    H    VAL  19           H        VAL  19   5.510  -0.562  -4.760
  130    HA   VAL  19           HA       VAL  19   6.414  -1.116  -7.471
  131    HB   VAL  19           HB       VAL  19   4.484  -2.748  -5.842
  132   1HG1  VAL  19          1HG1      VAL  19   6.278  -3.188  -8.204
  133   2HG1  VAL  19          2HG1      VAL  19   5.927  -4.557  -7.122
  134   3HG1  VAL  19          3HG1      VAL  19   4.595  -3.701  -7.936
  135   1HG2  VAL  19          1HG2      VAL  19   6.444  -2.229  -4.408
  136   2HG2  VAL  19          2HG2      VAL  19   6.333  -3.955  -4.831
  137   3HG2  VAL  19          3HG2      VAL  19   7.511  -2.910  -5.660
  138    H    ASP  20           H        ASP  20   4.104   0.784  -5.936
  139    HA   ASP  20           HA       ASP  20   2.228   1.701  -6.527
  140   1HB   ASP  20          1HB       ASP  20   3.332   2.613  -8.431
  141   2HB   ASP  20          2HB       ASP  20   3.435   1.059  -9.233
  142    H    CYS  21           H        CYS  21   0.487   0.424  -5.801
  143    HA   CYS  21           HA       CYS  21  -0.043  -2.126  -6.868
  144   1HB   CYS  21          1HB       CYS  21  -0.775  -0.724  -4.608
  145   2HB   CYS  21          2HB       CYS  21  -2.276  -0.797  -5.509
  146    H    GLY  22           H        GLY  22  -0.518   1.050  -8.038
  147   1HA   GLY  22          1HA       GLY  22  -1.758   0.339 -10.392
  148   2HA   GLY  22          2HA       GLY  22  -1.743   1.947  -9.696
  149    H    TYR  23           H        TYR  23  -3.431   2.453  -7.984
  150    HA   TYR  23           HA       TYR  23  -5.945   1.223  -8.806
  151   1HB   TYR  23          1HB       TYR  23  -4.606   0.424  -6.520
  152   2HB   TYR  23          2HB       TYR  23  -5.430   1.832  -5.880
  153    HD1  TYR  23           HD1      TYR  23  -6.596  -0.723  -8.365
  154    HD2  TYR  23           HD2      TYR  23  -7.130   1.029  -4.499
  155    HE1  TYR  23           HE1      TYR  23  -8.701  -2.106  -8.022
  156    HE2  TYR  23           HE2      TYR  23  -9.234  -0.359  -4.169
  157    HH   TYR  23           HH       TYR  23 -10.891  -1.705  -6.518
  158    HA   PRO  24           HA       PRO  24  -7.195   5.362  -8.560
  159   1HB   PRO  24          1HB       PRO  24  -9.909   5.060  -8.667
  160   2HB   PRO  24          2HB       PRO  24  -8.882   5.012 -10.087
  161   1HG   PRO  24          1HG       PRO  24 -10.205   2.774  -8.680
  162   2HG   PRO  24          2HG       PRO  24  -9.545   2.814 -10.302
  163   1HD   PRO  24          1HD       PRO  24  -8.352   1.600  -7.993
  164   2HD   PRO  24          2HD       PRO  24  -7.640   1.742  -9.589
  165    H    HIS  25           H        HIS  25  -9.836   3.849  -6.810
  166    HA   HIS  25           HA       HIS  25  -9.723   5.839  -4.832
  167   1HB   HIS  25          1HB       HIS  25 -11.696   4.992  -4.199
  168   2HB   HIS  25          2HB       HIS  25 -11.586   4.055  -5.676
  169    HD1  HIS  25           HD1      HIS  25 -12.146   3.648  -2.146
  170    HD2  HIS  25           HD2      HIS  25 -10.232   1.389  -5.117
  171    HE1  HIS  25           HE1      HIS  25 -11.979   1.269  -1.239
  172    HE2  HIS  25           HE2      HIS  25 -10.844  -0.084  -3.130
  173    H    VAL  26           H        VAL  26  -7.771   6.019  -3.749
  174    HA   VAL  26           HA       VAL  26  -6.998   3.633  -2.222
  175    HB   VAL  26           HB       VAL  26  -4.649   4.472  -2.445
  176   1HG1  VAL  26          1HG1      VAL  26  -6.195   3.510  -4.862
  177   2HG1  VAL  26          2HG1      VAL  26  -4.422   3.671  -4.865
  178   3HG1  VAL  26          3HG1      VAL  26  -5.213   2.562  -3.719
  179   1HG2  VAL  26          1HG2      VAL  26  -5.893   6.710  -3.599
  180   2HG2  VAL  26          2HG2      VAL  26  -4.147   6.375  -3.500
  181   3HG2  VAL  26          3HG2      VAL  26  -5.067   5.887  -4.944
  182    H    THR  27           H        THR  27  -7.072   3.951  -0.058
  183    HA   THR  27           HA       THR  27  -6.599   6.660   0.941
  184    HB   THR  27           HB       THR  27  -8.708   6.844   1.920
  185    HG1  THR  27           HG1      THR  27  -9.516   5.028   2.973
  186   1HG2  THR  27          1HG2      THR  27  -9.281   4.723  -0.217
  187   2HG2  THR  27          2HG2      THR  27 -10.500   5.767   0.553
  188   3HG2  THR  27          3HG2      THR  27  -9.253   6.481  -0.497
  189    HA   PRO  28           HA       PRO  28  -4.588   4.671   4.176
  190   1HB   PRO  28          1HB       PRO  28  -5.315   5.998   6.452
  191   2HB   PRO  28          2HB       PRO  28  -4.146   6.627   5.308
  192   1HG   PRO  28          1HG       PRO  28  -6.951   7.457   5.737
  193   2HG   PRO  28          2HG       PRO  28  -5.661   8.324   4.927
  194   1HD   PRO  28          1HD       PRO  28  -7.831   6.920   3.682
  195   2HD   PRO  28          2HD       PRO  28  -6.478   7.688   2.874
  196    H    LYS  29           H        LYS  29  -6.880   3.276   3.337
  197    HA   LYS  29           HA       LYS  29  -7.030   1.412   5.383
  198   1HB   LYS  29          1HB       LYS  29  -8.358   3.453   6.358
  199   2HB   LYS  29          2HB       LYS  29  -9.632   2.916   5.282
  200   1HG   LYS  29          1HG       LYS  29  -8.244   0.924   7.104
  201   2HG   LYS  29          2HG       LYS  29  -9.518   1.949   7.735
  202   1HD   LYS  29          1HD       LYS  29 -10.637   1.015   5.356
  203   2HD   LYS  29          2HD       LYS  29  -9.701  -0.366   5.892
  204   1HE   LYS  29          1HE       LYS  29 -10.800  -0.003   8.223
  205   2HE   LYS  29          2HE       LYS  29 -11.909   1.083   7.410
  206   1HZ   LYS  29          1HZ       LYS  29 -11.575  -1.427   6.090
  207   2HZ   LYS  29          2HZ       LYS  29 -12.225  -1.555   7.583
  208   3HZ   LYS  29          3HZ       LYS  29 -12.945  -0.617   6.456
  209    H    GLU  30           H        GLU  30  -8.893   3.056   2.753
  210    HA   GLU  30           HA       GLU  30 -10.100   0.670   1.912
  211   1HB   GLU  30          1HB       GLU  30 -10.061   3.487   1.128
  212   2HB   GLU  30          2HB       GLU  30 -10.033   2.453  -0.287
  213   1HG   GLU  30          1HG       GLU  30 -12.354   2.776   0.214
  214   2HG   GLU  30          2HG       GLU  30 -11.987   1.149   0.752
  215    H    CYS  31           H        CYS  31  -7.130   2.467   0.968
  216    HA   CYS  31           HA       CYS  31  -6.576   0.877  -1.280
  217   1HB   CYS  31          1HB       CYS  31  -5.464   2.864  -1.371
  218   2HB   CYS  31          2HB       CYS  31  -5.120   2.895   0.347
  219    H    ASN  32           H        ASN  32  -6.117   0.567   2.221
  220    HA   ASN  32           HA       ASN  32  -4.291  -1.633   1.836
  221   1HB   ASN  32          1HB       ASN  32  -3.726  -0.117   3.661
  222   2HB   ASN  32          2HB       ASN  32  -5.356  -0.175   4.302
  223   2HD2  ASN  32          2HD2      ASN  32  -5.074  -1.018   6.252
  224   1HD2  ASN  32          1HD2      ASN  32  -4.371  -2.560   6.610
  225    H    ASN  33           H        ASN  33  -7.558  -1.169   1.606
  226    HA   ASN  33           HA       ASN  33  -8.332  -3.420   3.230
  227   1HB   ASN  33          1HB       ASN  33  -9.776  -1.374   3.169
  228   2HB   ASN  33          2HB       ASN  33  -9.968  -1.549   1.436
  229   2HD2  ASN  33          2HD2      ASN  33 -12.138  -1.431   3.063
  230   1HD2  ASN  33          1HD2      ASN  33 -12.960  -2.954   3.129
  231    H    ARG  34           H        ARG  34  -8.050  -2.300  -0.186
  232    HA   ARG  34           HA       ARG  34  -9.322  -4.465  -1.344
  233   1HB   ARG  34          1HB       ARG  34  -8.437  -2.130  -2.312
  234   2HB   ARG  34          2HB       ARG  34  -7.013  -3.067  -2.721
  235   1HG   ARG  34          1HG       ARG  34  -9.866  -3.779  -3.554
  236   2HG   ARG  34          2HG       ARG  34  -8.690  -2.991  -4.587
  237   1HD   ARG  34          1HD       ARG  34  -7.186  -5.122  -3.868
  238   2HD   ARG  34          2HD       ARG  34  -8.763  -5.845  -3.624
  239    HE   ARG  34           HE       ARG  34  -9.073  -4.727  -6.097
  240   1HH1  ARG  34          1HH1      ARG  34  -6.511  -6.726  -4.749
  241   2HH1  ARG  34          2HH1      ARG  34  -6.088  -7.435  -6.271
  242   1HH2  ARG  34          1HH2      ARG  34  -8.516  -5.662  -8.107
  243   2HH2  ARG  34          2HH2      ARG  34  -7.236  -6.826  -8.194
  244    H    GLY  35           H        GLY  35  -6.142  -4.061   0.096
  245   1HA   GLY  35          1HA       GLY  35  -5.382  -6.752  -0.872
  246   2HA   GLY  35          2HA       GLY  35  -5.027  -6.119   0.724
  247    H    CYS  36           H        CYS  36  -3.712  -3.970   0.758
  248    HA   CYS  36           HA       CYS  36  -1.316  -4.439  -0.579
  249   1HB   CYS  36          1HB       CYS  36  -3.120  -3.226  -2.284
  250   2HB   CYS  36          2HB       CYS  36  -2.216  -1.866  -1.649
  251    H    CYS  37           H        CYS  37  -0.601  -1.517  -0.671
  252    HA   CYS  37           HA       CYS  37  -0.983  -0.870   2.159
  253   1HB   CYS  37          1HB       CYS  37   1.552  -1.064   0.587
  254   2HB   CYS  37          2HB       CYS  37   1.422   0.181   1.813
  255    H    PHE  38           H        PHE  38  -1.083   1.442   2.592
  256    HA   PHE  38           HA       PHE  38  -1.509   3.018   0.151
  257   1HB   PHE  38          1HB       PHE  38  -3.568   2.635   1.481
  258   2HB   PHE  38          2HB       PHE  38  -2.734   3.034   2.969
  259    HD1  PHE  38           HD1      PHE  38  -4.072   4.445  -0.167
  260    HD2  PHE  38           HD2      PHE  38  -2.514   5.290   3.688
  261    HE1  PHE  38           HE1      PHE  38  -4.810   6.833  -0.393
  262    HE2  PHE  38           HE2      PHE  38  -3.252   7.679   3.462
  263    HZ   PHE  38           HZ       PHE  38  -4.390   8.422   1.424
  264    H    ASP  39           H        ASP  39  -1.365   5.524   0.759
  265    HA   ASP  39           HA       ASP  39   0.286   6.289   2.828
  266   1HB   ASP  39          1HB       ASP  39   2.125   5.151   1.755
  267   2HB   ASP  39          2HB       ASP  39   1.664   5.742   0.171
  268    H    SER  40           H        SER  40   0.482   8.644   2.803
  269    HA   SER  40           HA       SER  40  -0.535   9.910   0.393
  270   1HB   SER  40          1HB       SER  40  -1.990  11.378   1.704
  271   2HB   SER  40          2HB       SER  40  -2.405   9.706   2.026
  272    HG   SER  40           HG       SER  40  -2.302  10.666   4.039
  273    H    ARG  41           H        ARG  41   2.114   9.472   2.072
  274    HA   ARG  41           HA       ARG  41   2.839  11.878   3.161
  275   1HB   ARG  41          1HB       ARG  41   4.024   9.445   2.958
  276   2HB   ARG  41          2HB       ARG  41   4.918  10.260   1.691
  277   1HG   ARG  41          1HG       ARG  41   5.354  12.149   3.414
  278   2HG   ARG  41          2HG       ARG  41   4.738  11.047   4.630
  279   1HD   ARG  41          1HD       ARG  41   6.479   9.333   3.674
  280   2HD   ARG  41          2HD       ARG  41   7.210  10.717   2.887
  281    HE   ARG  41           HE       ARG  41   8.046  11.407   4.956
  282   1HH1  ARG  41          1HH1      ARG  41   5.371   9.186   5.497
  283   2HH1  ARG  41          2HH1      ARG  41   5.598   9.130   7.214
  284   1HH2  ARG  41          1HH2      ARG  41   8.347  11.333   7.220
  285   2HH2  ARG  41          2HH2      ARG  41   7.302  10.359   8.200
  286    H    ILE  42           H        ILE  42   3.471  10.552  -0.171
  287    HA   ILE  42           HA       ILE  42   3.553  13.304  -1.137
  288    HB   ILE  42           HB       ILE  42   5.506  12.114  -2.637
  289   1HG1  ILE  42          1HG1      ILE  42   7.121  11.160  -1.008
  290   2HG1  ILE  42          2HG1      ILE  42   5.879  11.190   0.227
  291   1HG2  ILE  42          1HG2      ILE  42   5.260  14.411  -1.401
  292   2HG2  ILE  42          2HG2      ILE  42   6.257  13.620  -0.157
  293   3HG2  ILE  42          3HG2      ILE  42   6.870  13.776  -1.820
  294   1HD1  ILE  42          1HD1      ILE  42   4.930   9.911  -2.251
  295   2HD1  ILE  42          2HD1      ILE  42   6.356   9.097  -1.562
  296   3HD1  ILE  42          3HD1      ILE  42   4.889   9.308  -0.577
  297    HA   PRO  43           HA       PRO  43   1.014  11.438  -4.108
  298   1HB   PRO  43          1HB       PRO  43   0.729  13.553  -5.816
  299   2HB   PRO  43          2HB       PRO  43  -0.220  13.366  -4.355
  300   1HG   PRO  43          1HG       PRO  43   2.041  15.198  -4.875
  301   2HG   PRO  43          2HG       PRO  43   0.828  15.282  -3.613
  302   1HD   PRO  43          1HD       PRO  43   3.544  14.405  -3.326
  303   2HD   PRO  43          2HD       PRO  43   2.299  14.381  -2.093
  304    H    GLY  44           H        GLY  44   3.907  13.110  -5.138
  305   1HA   GLY  44          1HA       GLY  44   5.520  12.361  -6.546
  306   2HA   GLY  44          2HA       GLY  44   4.203  12.397  -7.703
  307    H    VAL  45           H        VAL  45   4.850  10.220  -4.865
  308    HA   VAL  45           HA       VAL  45   5.363   8.019  -6.661
  309    HB   VAL  45           HB       VAL  45   6.248   6.961  -4.856
  310   1HG1  VAL  45          1HG1      VAL  45   7.133   9.409  -5.148
  311   2HG1  VAL  45          2HG1      VAL  45   6.377   9.672  -3.558
  312   3HG1  VAL  45          3HG1      VAL  45   7.648   8.440  -3.746
  313   1HG2  VAL  45          1HG2      VAL  45   4.123   8.341  -3.211
  314   2HG2  VAL  45          2HG2      VAL  45   4.381   6.600  -3.479
  315   3HG2  VAL  45          3HG2      VAL  45   5.506   7.519  -2.450
  316    HA   PRO  46           HA       PRO  46   1.447   6.204  -6.394
  317   1HB   PRO  46          1HB       PRO  46   1.901   3.536  -6.013
  318   2HB   PRO  46          2HB       PRO  46   2.078   4.326  -7.567
  319   1HG   PRO  46          1HG       PRO  46   4.182   3.408  -5.704
  320   2HG   PRO  46          2HG       PRO  46   4.318   3.798  -7.407
  321   1HD   PRO  46          1HD       PRO  46   5.159   5.426  -5.200
  322   2HD   PRO  46          2HD       PRO  46   5.188   5.864  -6.897
  323    H    TRP  47           H        TRP  47   0.467   7.270  -4.688
  324    HA   TRP  47           HA       TRP  47   0.842   6.992  -2.091
  325   1HB   TRP  47          1HB       TRP  47  -1.608   7.309  -3.738
  326   2HB   TRP  47          2HB       TRP  47  -1.841   6.914  -2.047
  327    HD1  TRP  47           HD1      TRP  47   1.083   9.207  -3.078
  328    HE1  TRP  47           HE1      TRP  47   0.744  11.659  -2.162
  329    HE3  TRP  47           HE3      TRP  47  -3.651   8.477  -1.371
  330    HZ2  TRP  47           HZ2      TRP  47  -1.418  12.988  -0.856
  331    HZ3  TRP  47           HZ3      TRP  47  -4.805  10.404  -0.289
  332    HH2  TRP  47           HH2      TRP  47  -3.765  12.599  -0.019
  333    H    CYS  48           H        CYS  48  -1.131   4.681  -4.092
  334    HA   CYS  48           HA       CYS  48  -1.046   2.810  -1.874
  335   1HB   CYS  48          1HB       CYS  48  -3.159   3.384  -3.198
  336   2HB   CYS  48          2HB       CYS  48  -2.474   2.435  -4.503
  337    H    PHE  49           H        PHE  49   0.805   1.570  -1.809
  338    HA   PHE  49           HA       PHE  49   1.742   0.502  -4.375
  339   1HB   PHE  49          1HB       PHE  49   4.054   0.660  -3.155
  340   2HB   PHE  49          2HB       PHE  49   3.362   2.175  -3.701
  341    HD1  PHE  49           HD1      PHE  49   3.485  -0.020  -0.689
  342    HD2  PHE  49           HD2      PHE  49   3.162   3.931  -2.202
  343    HE1  PHE  49           HE1      PHE  49   3.626   0.886   1.648
  344    HE2  PHE  49           HE2      PHE  49   3.303   4.837   0.135
  345    HZ   PHE  49           HZ       PHE  49   3.534   3.304   2.032
  346    H    LYS  50           H        LYS  50   3.166  -1.506  -4.042
  347    HA   LYS  50           HA       LYS  50   1.713  -3.343  -2.470
  348   1HB   LYS  50          1HB       LYS  50   4.293  -3.539  -4.041
  349   2HB   LYS  50          2HB       LYS  50   3.590  -4.902  -3.192
  350   1HG   LYS  50          1HG       LYS  50   1.380  -3.982  -4.546
  351   2HG   LYS  50          2HG       LYS  50   2.645  -3.511  -5.664
  352   1HD   LYS  50          1HD       LYS  50   3.375  -6.121  -4.903
  353   2HD   LYS  50          2HD       LYS  50   1.628  -6.201  -5.020
  354   1HE   LYS  50          1HE       LYS  50   2.595  -4.678  -7.277
  355   2HE   LYS  50          2HE       LYS  50   3.559  -6.137  -7.163
  356   1HZ   LYS  50          1HZ       LYS  50   0.764  -6.563  -6.761
  357   2HZ   LYS  50          2HZ       LYS  50   1.133  -6.004  -8.251
  358   3HZ   LYS  50          3HZ       LYS  50   1.818  -7.381  -7.703
  359    HA   PRO  51           HA       PRO  51   3.911  -3.276   1.243
  360   1HB   PRO  51          1HB       PRO  51   3.951  -5.891   2.036
  361   2HB   PRO  51          2HB       PRO  51   2.546  -4.858   2.210
  362   1HG   PRO  51          1HG       PRO  51   3.026  -7.019   0.250
  363   2HG   PRO  51          2HG       PRO  51   1.509  -6.278   0.717
  364   1HD   PRO  51          1HD       PRO  51   2.986  -5.793  -1.694
  365   2HD   PRO  51          2HD       PRO  51   1.530  -4.969  -1.173
  366    H    LEU  52           H        LEU  52   5.944  -2.650   1.547
  367    HA   LEU  52           HA       LEU  52   8.024  -3.246   0.032
  368   1HB   LEU  52          1HB       LEU  52   8.216  -1.663   1.771
  369   2HB   LEU  52          2HB       LEU  52   7.901  -2.858   3.014
  370    HG   LEU  52           HG       LEU  52  10.374  -2.842   1.263
  371   1HD1  LEU  52          1HD1      LEU  52   9.693  -1.161   3.492
  372   2HD1  LEU  52          2HD1      LEU  52  11.044  -2.232   3.937
  373   3HD1  LEU  52          3HD1      LEU  52  11.172  -1.186   2.502
  374   1HD2  LEU  52          1HD2      LEU  52   9.279  -4.736   3.187
  375   2HD2  LEU  52          2HD2      LEU  52  10.608  -4.924   2.018
  376   3HD2  LEU  52          3HD2      LEU  52  10.923  -4.205   3.616
  377    H    GLN  53           H        GLN  53   9.316  -4.944  -0.523
  378    HA   GLN  53           HA       GLN  53   8.503  -7.496   0.092
  379   1HB   GLN  53          1HB       GLN  53  10.765  -8.155  -0.895
  380   2HB   GLN  53          2HB       GLN  53   9.763  -7.136  -1.908
  381   1HG   GLN  53          1HG       GLN  53  11.504  -5.575  -0.096
  382   2HG   GLN  53          2HG       GLN  53  12.415  -6.617  -1.171
  383   2HE2  GLN  53          2HE2      GLN  53  10.870  -3.687  -0.816
  384   1HE2  GLN  53          1HE2      GLN  53  10.761  -3.182  -2.469
  385    H    GLU  54           H        GLU  54   8.285  -7.673   2.409
  386    HA   GLU  54           HA       GLU  54  10.361  -7.089   4.147
  387   1HB   GLU  54          1HB       GLU  54   9.051  -8.286   5.815
  388   2HB   GLU  54          2HB       GLU  54   7.958  -7.379   4.788
  389   1HG   GLU  54          1HG       GLU  54   8.125  -9.790   3.422
  390   2HG   GLU  54          2HG       GLU  54   8.268 -10.322   5.085
  391    H    ALA  55           H        ALA  55  12.311  -7.976   3.198
  392    HA   ALA  55           HA       ALA  55  12.426 -10.905   3.208
  393   1HB   ALA  55          1HB       ALA  55  14.775 -10.039   2.089
  394   2HB   ALA  55          2HB       ALA  55  13.299 -10.412   1.167
  395   3HB   ALA  55          3HB       ALA  55  13.665  -8.730   1.620
  396    H    GLU  56           H        GLU  56  12.513 -11.037   5.557
  397    HA   GLU  56           HA       GLU  56  15.061 -11.223   6.518
  398   1HB   GLU  56          1HB       GLU  56  14.042  -8.499   6.661
  399   2HB   GLU  56          2HB       GLU  56  14.298  -9.121   8.280
  400   1HG   GLU  56          1HG       GLU  56  16.608  -9.467   7.937
  401   2HG   GLU  56          2HG       GLU  56  16.441  -9.581   6.196
  402    H    CYS  57           H        CYS  57  11.802 -10.054   7.641
  403    HA   CYS  57           HA       CYS  57  10.322 -10.988   8.978
  404   1HB   CYS  57          1HB       CYS  57  11.736 -13.257   8.039
  405   2HB   CYS  57          2HB       CYS  57  11.521 -13.477   9.764
  406    H    THR  58           H        THR  58  13.537 -12.287  10.113
  407    HA   THR  58           HA       THR  58  14.647 -12.034  12.022
  408    HB   THR  58           HB       THR  58  13.077  -9.404  12.150
  409    HG1  THR  58           HG1      THR  58  15.629 -10.357  11.059
  410   1HG2  THR  58          1HG2      THR  58  14.649 -10.410  14.170
  411   2HG2  THR  58          2HG2      THR  58  15.892  -9.660  13.140
  412   3HG2  THR  58          3HG2      THR  58  14.555  -8.676  13.781
  413    H    PHE  59           H        PHE  59  14.549 -12.577  14.218
  414    HA   PHE  59           HA       PHE  59  13.646 -13.389  16.057
  415   1HB   PHE  59          1HB       PHE  59  12.227 -11.074  15.486
  416   2HB   PHE  59          2HB       PHE  59  10.919 -12.240  15.452
  417    HD1  PHE  59           HD1      PHE  59  11.328 -14.049  17.571
  418    HD2  PHE  59           HD2      PHE  59  12.293  -9.918  17.468
  419    HE1  PHE  59           HE1      PHE  59  11.175 -13.951  20.075
  420    HE2  PHE  59           HE2      PHE  59  12.140  -9.819  19.971
  421    HZ   PHE  59           HZ       PHE  59  11.583 -11.837  21.245

  No H/Q in entry =         421
  Start of MODEL   49
    1    H    GLU   1           H        GLU   1  10.123 -13.184  17.971
    2    HA   GLU   1           HA       GLU   1   7.977 -13.407  17.542
    3   1HB   GLU   1          1HB       GLU   1   7.516 -13.500  20.014
    4   2HB   GLU   1          2HB       GLU   1   7.362 -11.755  20.031
    5   1HG   GLU   1          1HG       GLU   1   5.520 -11.968  18.283
    6   2HG   GLU   1          2HG       GLU   1   5.618 -13.709  18.460
    7    H    GLU   2           H        GLU   2   7.929 -12.272  15.619
    8    HA   GLU   2           HA       GLU   2   8.026  -9.402  15.747
    9   1HB   GLU   2          1HB       GLU   2   8.233 -11.474  13.567
   10   2HB   GLU   2          2HB       GLU   2   7.788  -9.840  13.119
   11   1HG   GLU   2          1HG       GLU   2   9.858  -9.148  14.631
   12   2HG   GLU   2          2HG       GLU   2  10.353 -10.814  14.407
   13    H    TYR   3           H        TYR   3   6.437  -8.543  13.661
   14    HA   TYR   3           HA       TYR   3   3.834  -9.711  13.778
   15   1HB   TYR   3          1HB       TYR   3   4.603  -8.005  15.877
   16   2HB   TYR   3          2HB       TYR   3   3.907  -6.862  14.744
   17    HD1  TYR   3           HD1      TYR   3   1.594  -8.058  13.618
   18    HD2  TYR   3           HD2      TYR   3   3.133  -8.537  17.581
   19    HE1  TYR   3           HE1      TYR   3  -0.732  -8.649  14.458
   20    HE2  TYR   3           HE2      TYR   3   0.802  -9.127  18.408
   21    HH   TYR   3           HH       TYR   3  -1.946  -9.196  16.151
   22    H    VAL   4           H        VAL   4   2.505  -8.950  12.102
   23    HA   VAL   4           HA       VAL   4   3.492  -6.643  10.611
   24    HB   VAL   4           HB       VAL   4   3.176  -9.457   9.601
   25   1HG1  VAL   4          1HG1      VAL   4   2.551  -6.928   8.177
   26   2HG1  VAL   4          2HG1      VAL   4   3.584  -8.085   7.304
   27   3HG1  VAL   4          3HG1      VAL   4   1.978  -8.587   7.883
   28   1HG2  VAL   4          1HG2      VAL   4   5.377  -7.823  10.229
   29   2HG2  VAL   4          2HG2      VAL   4   5.395  -9.384   9.376
   30   3HG2  VAL   4          3HG2      VAL   4   5.307  -7.866   8.451
   31    H    GLY   5           H        GLY   5   1.700  -5.464  11.427
   32   1HA   GLY   5          1HA       GLY   5  -0.951  -6.455  11.375
   33   2HA   GLY   5          2HA       GLY   5  -0.628  -5.550   9.910
   34    H    LEU   6           H        LEU   6   0.961  -4.887  13.057
   35    HA   LEU   6           HA       LEU   6  -0.648  -2.437  13.239
   36   1HB   LEU   6          1HB       LEU   6   0.455  -2.670  15.682
   37   2HB   LEU   6          2HB       LEU   6  -1.129  -3.275  15.239
   38    HG   LEU   6           HG       LEU   6   0.175  -4.901  16.539
   39   1HD1  LEU   6          1HD1      LEU   6  -1.291  -5.371  14.208
   40   2HD1  LEU   6          2HD1      LEU   6   0.139  -6.422  14.072
   41   3HD1  LEU   6          3HD1      LEU   6  -0.916  -6.535  15.501
   42   1HD2  LEU   6          1HD2      LEU   6   2.287  -4.124  14.787
   43   2HD2  LEU   6          2HD2      LEU   6   2.343  -5.205  16.200
   44   3HD2  LEU   6          3HD2      LEU   6   2.003  -5.870  14.584
   45    H    SER   7           H        SER   7   1.456  -2.567  11.361
   46    HA   SER   7           HA       SER   7   2.998  -0.413  12.318
   47   1HB   SER   7          1HB       SER   7   5.237  -1.481  12.028
   48   2HB   SER   7          2HB       SER   7   4.335  -2.166  13.365
   49    HG   SER   7           HG       SER   7   3.613  -3.681  11.340
   50    H    ALA   8           H        ALA   8   4.454   0.447  10.528
   51    HA   ALA   8           HA       ALA   8   3.170  -0.074   7.983
   52   1HB   ALA   8          1HB       ALA   8   4.247   2.178   9.318
   53   2HB   ALA   8          2HB       ALA   8   5.313   1.879   7.924
   54   3HB   ALA   8          3HB       ALA   8   3.567   2.116   7.674
   55    H    ASN   9           H        ASN   9   5.379  -1.751   9.624
   56    HA   ASN   9           HA       ASN   9   7.711  -1.816   8.360
   57   1HB   ASN   9          1HB       ASN   9   6.080  -3.697   9.860
   58   2HB   ASN   9          2HB       ASN   9   6.862  -4.568   8.557
   59   2HD2  ASN   9          2HD2      ASN   9   7.157  -3.543  11.664
   60   1HD2  ASN   9          1HD2      ASN   9   8.876  -3.583  11.873
   61    H    GLN  10           H        GLN  10   4.532  -3.010   7.195
   62    HA   GLN  10           HA       GLN  10   5.685  -4.261   4.905
   63   1HB   GLN  10          1HB       GLN  10   2.748  -3.664   5.034
   64   2HB   GLN  10          2HB       GLN  10   3.566  -5.125   4.517
   65   1HG   GLN  10          1HG       GLN  10   3.022  -4.184   7.355
   66   2HG   GLN  10          2HG       GLN  10   2.536  -5.690   6.603
   67   2HE2  GLN  10          2HE2      GLN  10   4.050  -5.140   9.056
   68   1HE2  GLN  10          1HE2      GLN  10   5.551  -5.994   8.931
   69    H    CYS  11           H        CYS  11   4.170  -1.154   5.775
   70    HA   CYS  11           HA       CYS  11   4.486  -0.328   2.981
   71   1HB   CYS  11          1HB       CYS  11   2.847   1.379   4.725
   72   2HB   CYS  11          2HB       CYS  11   2.592   0.873   3.067
   73    H    ALA  12           H        ALA  12   6.791  -0.466   4.510
   74    HA   ALA  12           HA       ALA  12   7.186   2.300   5.423
   75   1HB   ALA  12          1HB       ALA  12   9.206   1.187   6.603
   76   2HB   ALA  12          2HB       ALA  12   7.583   0.870   7.262
   77   3HB   ALA  12          3HB       ALA  12   8.388  -0.354   6.250
   78    H    VAL  13           H        VAL  13   7.132   1.998   2.700
   79    HA   VAL  13           HA       VAL  13   9.850   1.481   1.825
   80    HB   VAL  13           HB       VAL  13   7.846   2.517  -0.070
   81   1HG1  VAL  13          1HG1      VAL  13  10.097   0.626   0.021
   82   2HG1  VAL  13          2HG1      VAL  13   8.723   0.062  -0.959
   83   3HG1  VAL  13          3HG1      VAL  13   9.490   1.627  -1.320
   84   1HG2  VAL  13          1HG2      VAL  13   7.339   0.043   1.576
   85   2HG2  VAL  13          2HG2      VAL  13   6.210   1.331   1.094
   86   3HG2  VAL  13          3HG2      VAL  13   6.774   0.147  -0.109
   87    HA   PRO  14           HA       PRO  14  10.928   5.667   1.831
   88   1HB   PRO  14          1HB       PRO  14  12.985   5.679   0.031
   89   2HB   PRO  14          2HB       PRO  14  13.171   5.162   1.695
   90   1HG   PRO  14          1HG       PRO  14  13.039   3.513  -0.755
   91   2HG   PRO  14          2HG       PRO  14  13.637   3.074   0.833
   92   1HD   PRO  14          1HD       PRO  14  11.119   2.326  -0.318
   93   2HD   PRO  14          2HD       PRO  14  11.669   1.986   1.311
   94    H    ALA  15           H        ALA  15   9.259   4.282  -0.582
   95    HA   ALA  15           HA       ALA  15   7.795   5.350  -1.937
   96   1HB   ALA  15          1HB       ALA  15   9.416   7.875  -2.071
   97   2HB   ALA  15          2HB       ALA  15   7.650   7.653  -2.077
   98   3HB   ALA  15          3HB       ALA  15   8.561   7.499  -0.556
   99    H    LYS  16           H        LYS  16  11.295   5.300  -2.196
  100    HA   LYS  16           HA       LYS  16  11.175   5.513  -5.092
  101   1HB   LYS  16          1HB       LYS  16  13.604   5.544  -4.979
  102   2HB   LYS  16          2HB       LYS  16  12.922   6.742  -3.898
  103   1HG   LYS  16          1HG       LYS  16  14.599   5.692  -2.585
  104   2HG   LYS  16          2HG       LYS  16  13.112   4.946  -2.033
  105   1HD   LYS  16          1HD       LYS  16  13.641   2.888  -2.934
  106   2HD   LYS  16          2HD       LYS  16  14.404   3.582  -4.351
  107   1HE   LYS  16          1HE       LYS  16  16.481   3.854  -3.280
  108   2HE   LYS  16          2HE       LYS  16  15.768   3.951  -1.682
  109   1HZ   LYS  16          1HZ       LYS  16  15.783   1.500  -3.300
  110   2HZ   LYS  16          2HZ       LYS  16  16.900   1.844  -2.159
  111   3HZ   LYS  16          3HZ       LYS  16  15.336   1.637  -1.736
  112    H    ASP  17           H        ASP  17  10.137   3.223  -3.158
  113    HA   ASP  17           HA       ASP  17  11.305   1.142  -4.818
  114   1HB   ASP  17          1HB       ASP  17  11.598   1.438  -1.972
  115   2HB   ASP  17          2HB       ASP  17  10.526   0.077  -2.235
  116    H    ARG  18           H        ARG  18   8.695   2.889  -4.494
  117    HA   ARG  18           HA       ARG  18   6.738   1.025  -3.683
  118   1HB   ARG  18          1HB       ARG  18   6.283   3.533  -5.364
  119   2HB   ARG  18          2HB       ARG  18   5.135   2.752  -4.294
  120   1HG   ARG  18          1HG       ARG  18   7.754   4.018  -3.358
  121   2HG   ARG  18          2HG       ARG  18   6.203   4.833  -3.319
  122   1HD   ARG  18          1HD       ARG  18   5.393   2.716  -1.958
  123   2HD   ARG  18          2HD       ARG  18   7.102   2.420  -1.709
  124    HE   ARG  18           HE       ARG  18   7.081   4.127  -0.129
  125   1HH1  ARG  18          1HH1      ARG  18   4.529   4.756  -2.468
  126   2HH1  ARG  18          2HH1      ARG  18   3.963   6.180  -1.660
  127   1HH2  ARG  18          1HH2      ARG  18   6.335   6.006   0.938
  128   2HH2  ARG  18          2HH2      ARG  18   4.998   6.895   0.290
  129    H    VAL  19           H        VAL  19   6.092  -0.711  -4.918
  130    HA   VAL  19           HA       VAL  19   6.725  -0.773  -7.713
  131    HB   VAL  19           HB       VAL  19   5.298  -2.691  -5.863
  132   1HG1  VAL  19          1HG1      VAL  19   5.991  -2.875  -8.790
  133   2HG1  VAL  19          2HG1      VAL  19   5.927  -4.338  -7.778
  134   3HG1  VAL  19          3HG1      VAL  19   4.481  -3.314  -7.956
  135   1HG2  VAL  19          1HG2      VAL  19   7.651  -2.352  -5.292
  136   2HG2  VAL  19          2HG2      VAL  19   7.400  -3.975  -5.977
  137   3HG2  VAL  19          3HG2      VAL  19   8.125  -2.691  -6.974
  138    H    ASP  20           H        ASP  20   4.254   0.622  -5.870
  139    HA   ASP  20           HA       ASP  20   2.308   1.452  -6.339
  140   1HB   ASP  20          1HB       ASP  20   3.187   2.563  -8.252
  141   2HB   ASP  20          2HB       ASP  20   3.393   1.067  -9.142
  142    H    CYS  21           H        CYS  21   0.469   0.255  -5.833
  143    HA   CYS  21           HA       CYS  21   0.181  -2.373  -6.955
  144   1HB   CYS  21          1HB       CYS  21  -0.489  -1.199  -4.537
  145   2HB   CYS  21          2HB       CYS  21  -2.038  -1.373  -5.336
  146    H    GLY  22           H        GLY  22  -0.815   0.903  -7.591
  147   1HA   GLY  22          1HA       GLY  22  -2.191   0.208  -9.956
  148   2HA   GLY  22          2HA       GLY  22  -2.106   1.790  -9.207
  149    H    TYR  23           H        TYR  23  -3.737   2.472  -7.699
  150    HA   TYR  23           HA       TYR  23  -6.174   0.860  -7.903
  151   1HB   TYR  23          1HB       TYR  23  -4.611   1.921  -5.512
  152   2HB   TYR  23          2HB       TYR  23  -6.359   1.917  -5.388
  153    HD1  TYR  23           HD1      TYR  23  -7.557  -0.362  -5.893
  154    HD2  TYR  23           HD2      TYR  23  -3.401   0.001  -4.941
  155    HE1  TYR  23           HE1      TYR  23  -7.495  -2.807  -5.195
  156    HE2  TYR  23           HE2      TYR  23  -3.354  -2.444  -4.247
  157    HH   TYR  23           HH       TYR  23  -4.930  -4.116  -3.443
  158    HA   PRO  24           HA       PRO  24  -7.895   4.736  -8.781
  159   1HB   PRO  24          1HB       PRO  24 -10.551   4.171  -8.478
  160   2HB   PRO  24          2HB       PRO  24  -9.646   3.773  -9.924
  161   1HG   PRO  24          1HG       PRO  24 -10.567   1.980  -7.762
  162   2HG   PRO  24          2HG       PRO  24 -10.052   1.567  -9.385
  163   1HD   PRO  24          1HD       PRO  24  -8.535   1.254  -6.971
  164   2HD   PRO  24          2HD       PRO  24  -7.979   0.951  -8.605
  165    H    HIS  25           H        HIS  25 -10.144   3.585  -6.335
  166    HA   HIS  25           HA       HIS  25  -9.813   6.121  -5.007
  167   1HB   HIS  25          1HB       HIS  25 -11.765   5.580  -3.807
  168   2HB   HIS  25          2HB       HIS  25 -12.040   5.028  -5.448
  169    HD1  HIS  25           HD1      HIS  25 -13.579   3.867  -2.960
  170    HD2  HIS  25           HD2      HIS  25 -10.208   2.122  -4.746
  171    HE1  HIS  25           HE1      HIS  25 -13.653   1.389  -2.358
  172    HE2  HIS  25           HE2      HIS  25 -11.587   0.360  -3.528
  173    H    VAL  26           H        VAL  26  -7.587   5.891  -4.304
  174    HA   VAL  26           HA       VAL  26  -7.094   3.752  -2.396
  175    HB   VAL  26           HB       VAL  26  -4.777   4.662  -2.464
  176   1HG1  VAL  26          1HG1      VAL  26  -6.065   3.865  -5.094
  177   2HG1  VAL  26          2HG1      VAL  26  -4.309   3.902  -4.803
  178   3HG1  VAL  26          3HG1      VAL  26  -5.342   2.790  -3.873
  179   1HG2  VAL  26          1HG2      VAL  26  -5.904   6.960  -3.421
  180   2HG2  VAL  26          2HG2      VAL  26  -4.180   6.541  -3.562
  181   3HG2  VAL  26          3HG2      VAL  26  -5.287   6.223  -4.919
  182    H    THR  27           H        THR  27  -6.786   4.073  -0.190
  183    HA   THR  27           HA       THR  27  -6.703   6.776   0.836
  184    HB   THR  27           HB       THR  27  -8.818   6.752   1.891
  185    HG1  THR  27           HG1      THR  27  -8.372   3.896   1.525
  186   1HG2  THR  27          1HG2      THR  27  -9.240   4.959  -0.559
  187   2HG2  THR  27          2HG2      THR  27 -10.528   5.821   0.317
  188   3HG2  THR  27          3HG2      THR  27  -9.283   6.738  -0.564
  189    HA   PRO  28           HA       PRO  28  -4.628   4.870   4.078
  190   1HB   PRO  28          1HB       PRO  28  -5.437   6.166   6.344
  191   2HB   PRO  28          2HB       PRO  28  -4.284   6.844   5.213
  192   1HG   PRO  28          1HG       PRO  28  -7.127   7.551   5.609
  193   2HG   PRO  28          2HG       PRO  28  -5.867   8.473   4.813
  194   1HD   PRO  28          1HD       PRO  28  -7.959   6.975   3.546
  195   2HD   PRO  28          2HD       PRO  28  -6.633   7.800   2.752
  196    H    LYS  29           H        LYS  29  -6.853   3.379   3.217
  197    HA   LYS  29           HA       LYS  29  -6.939   1.502   5.247
  198   1HB   LYS  29          1HB       LYS  29  -8.361   3.514   6.206
  199   2HB   LYS  29          2HB       LYS  29  -9.613   2.859   5.169
  200   1HG   LYS  29          1HG       LYS  29  -8.104   0.888   6.863
  201   2HG   LYS  29          2HG       LYS  29  -9.187   1.977   7.706
  202   1HD   LYS  29          1HD       LYS  29 -11.100   1.228   6.433
  203   2HD   LYS  29          2HD       LYS  29 -10.092   0.409   5.257
  204   1HE   LYS  29          1HE       LYS  29 -10.256  -1.491   6.484
  205   2HE   LYS  29          2HE       LYS  29  -9.367  -0.708   7.774
  206   1HZ   LYS  29          1HZ       LYS  29 -12.279  -0.567   7.400
  207   2HZ   LYS  29          2HZ       LYS  29 -11.505  -1.473   8.517
  208   3HZ   LYS  29          3HZ       LYS  29 -11.448   0.157   8.605
  209    H    GLU  30           H        GLU  30  -9.112   3.052   2.781
  210    HA   GLU  30           HA       GLU  30 -10.172   0.671   1.887
  211   1HB   GLU  30          1HB       GLU  30 -11.066   2.970   1.413
  212   2HB   GLU  30          2HB       GLU  30  -9.738   3.242   0.303
  213   1HG   GLU  30          1HG       GLU  30 -10.838   2.155  -1.354
  214   2HG   GLU  30          2HG       GLU  30 -10.969   0.711  -0.369
  215    H    CYS  31           H        CYS  31  -7.295   2.557   0.774
  216    HA   CYS  31           HA       CYS  31  -6.711   0.953  -1.417
  217   1HB   CYS  31          1HB       CYS  31  -5.576   2.919  -1.497
  218   2HB   CYS  31          2HB       CYS  31  -5.258   2.952   0.226
  219    H    ASN  32           H        ASN  32  -5.957   0.739   2.088
  220    HA   ASN  32           HA       ASN  32  -4.274  -1.538   1.638
  221   1HB   ASN  32          1HB       ASN  32  -3.594  -0.034   3.427
  222   2HB   ASN  32          2HB       ASN  32  -5.199  -0.030   4.129
  223   2HD2  ASN  32          2HD2      ASN  32  -5.706  -1.448   5.646
  224   1HD2  ASN  32          1HD2      ASN  32  -4.749  -2.801   6.151
  225    H    ASN  33           H        ASN  33  -7.544  -1.017   1.564
  226    HA   ASN  33           HA       ASN  33  -8.239  -3.309   3.185
  227   1HB   ASN  33          1HB       ASN  33  -9.624  -1.232   3.378
  228   2HB   ASN  33          2HB       ASN  33  -9.982  -1.298   1.664
  229   2HD2  ASN  33          2HD2      ASN  33 -11.871  -1.293   3.762
  230   1HD2  ASN  33          1HD2      ASN  33 -12.767  -2.775   3.725
  231    H    ARG  34           H        ARG  34  -8.133  -2.033  -0.170
  232    HA   ARG  34           HA       ARG  34  -9.625  -4.045  -1.348
  233   1HB   ARG  34          1HB       ARG  34  -8.538  -1.708  -2.223
  234   2HB   ARG  34          2HB       ARG  34  -7.342  -2.809  -2.877
  235   1HG   ARG  34          1HG       ARG  34 -10.350  -3.079  -3.339
  236   2HG   ARG  34          2HG       ARG  34  -9.249  -2.310  -4.465
  237   1HD   ARG  34          1HD       ARG  34  -7.915  -4.646  -4.181
  238   2HD   ARG  34          2HD       ARG  34  -9.514  -5.229  -3.762
  239    HE   ARG  34           HE       ARG  34  -9.579  -3.603  -6.171
  240   1HH1  ARG  34          1HH1      ARG  34  -8.827  -6.820  -4.961
  241   2HH1  ARG  34          2HH1      ARG  34  -9.114  -7.598  -6.482
  242   1HH2  ARG  34          1HH2      ARG  34  -9.957  -4.628  -8.177
  243   2HH2  ARG  34          2HH2      ARG  34  -9.761  -6.343  -8.324
  244    H    GLY  35           H        GLY  35  -6.271  -3.854  -0.225
  245   1HA   GLY  35          1HA       GLY  35  -5.718  -6.494  -1.443
  246   2HA   GLY  35          2HA       GLY  35  -5.372  -6.133   0.236
  247    H    CYS  36           H        CYS  36  -3.946  -4.093   0.625
  248    HA   CYS  36           HA       CYS  36  -1.507  -4.479  -0.524
  249   1HB   CYS  36          1HB       CYS  36  -3.159  -3.172  -2.384
  250   2HB   CYS  36          2HB       CYS  36  -2.120  -1.921  -1.730
  251    H    CYS  37           H        CYS  37  -0.654  -1.638  -0.554
  252    HA   CYS  37           HA       CYS  37  -1.354  -0.918   2.199
  253   1HB   CYS  37          1HB       CYS  37   1.298  -1.262   0.913
  254   2HB   CYS  37          2HB       CYS  37   1.117   0.134   1.956
  255    H    PHE  38           H        PHE  38  -1.275   1.451   2.611
  256    HA   PHE  38           HA       PHE  38  -1.588   2.969   0.116
  257   1HB   PHE  38          1HB       PHE  38  -3.708   2.696   1.372
  258   2HB   PHE  38          2HB       PHE  38  -2.916   3.093   2.884
  259    HD1  PHE  38           HD1      PHE  38  -4.194   4.466  -0.276
  260    HD2  PHE  38           HD2      PHE  38  -2.526   5.378   3.517
  261    HE1  PHE  38           HE1      PHE  38  -4.832   6.875  -0.575
  262    HE2  PHE  38           HE2      PHE  38  -3.164   7.787   3.219
  263    HZ   PHE  38           HZ       PHE  38  -4.309   8.507   1.176
  264    H    ASP  39           H        ASP  39  -1.374   5.482   0.659
  265    HA   ASP  39           HA       ASP  39   0.241   6.231   2.773
  266   1HB   ASP  39          1HB       ASP  39   2.054   5.005   1.727
  267   2HB   ASP  39          2HB       ASP  39   1.664   5.647   0.144
  268    H    SER  40           H        SER  40   0.372   8.562   2.778
  269    HA   SER  40           HA       SER  40  -0.476   9.841   0.307
  270   1HB   SER  40          1HB       SER  40  -1.951  11.355   1.580
  271   2HB   SER  40          2HB       SER  40  -2.444   9.687   1.793
  272    HG   SER  40           HG       SER  40  -2.402  10.296   3.874
  273    H    ARG  41           H        ARG  41   2.105   9.375   2.020
  274    HA   ARG  41           HA       ARG  41   2.801  11.762   3.192
  275   1HB   ARG  41          1HB       ARG  41   3.976   9.310   2.964
  276   2HB   ARG  41          2HB       ARG  41   4.941  10.179   1.788
  277   1HG   ARG  41          1HG       ARG  41   4.982  12.005   3.816
  278   2HG   ARG  41          2HG       ARG  41   4.785  10.543   4.761
  279   1HD   ARG  41          1HD       ARG  41   6.758   9.565   3.380
  280   2HD   ARG  41          2HD       ARG  41   7.033  11.199   2.810
  281    HE   ARG  41           HE       ARG  41   6.835  11.349   5.633
  282   1HH1  ARG  41          1HH1      ARG  41   8.952   9.890   3.231
  283   2HH1  ARG  41          2HH1      ARG  41  10.354   9.946   4.247
  284   1HH2  ARG  41          1HH2      ARG  41   8.684  11.424   6.973
  285   2HH2  ARG  41          2HH2      ARG  41  10.201  10.825   6.389
  286    H    ILE  42           H        ILE  42   3.404  10.493  -0.157
  287    HA   ILE  42           HA       ILE  42   3.556  13.240  -1.086
  288    HB   ILE  42           HB       ILE  42   5.603  12.117  -2.502
  289   1HG1  ILE  42          1HG1      ILE  42   7.161  11.157  -0.834
  290   2HG1  ILE  42          2HG1      ILE  42   5.881  11.163   0.363
  291   1HG2  ILE  42          1HG2      ILE  42   5.341  14.399  -1.414
  292   2HG2  ILE  42          2HG2      ILE  42   6.026  13.665   0.056
  293   3HG2  ILE  42          3HG2      ILE  42   6.982  13.709  -1.444
  294   1HD1  ILE  42          1HD1      ILE  42   5.081   9.884  -2.186
  295   2HD1  ILE  42          2HD1      ILE  42   6.431   9.067  -1.363
  296   3HD1  ILE  42          3HD1      ILE  42   4.885   9.307  -0.514
  297    HA   PRO  43           HA       PRO  43   1.201  11.335  -4.181
  298   1HB   PRO  43          1HB       PRO  43   0.942  13.454  -5.887
  299   2HB   PRO  43          2HB       PRO  43  -0.068  13.234  -4.472
  300   1HG   PRO  43          1HG       PRO  43   2.169  15.123  -4.877
  301   2HG   PRO  43          2HG       PRO  43   0.898  15.169  -3.671
  302   1HD   PRO  43          1HD       PRO  43   3.618  14.356  -3.266
  303   2HD   PRO  43          2HD       PRO  43   2.319  14.293  -2.091
  304    H    GLY  44           H        GLY  44   4.104  13.072  -5.055
  305   1HA   GLY  44          1HA       GLY  44   5.801  12.350  -6.380
  306   2HA   GLY  44          2HA       GLY  44   4.549  12.415  -7.605
  307    H    VAL  45           H        VAL  45   4.805  10.150  -4.795
  308    HA   VAL  45           HA       VAL  45   5.455   7.994  -6.643
  309    HB   VAL  45           HB       VAL  45   6.302   6.872  -4.851
  310   1HG1  VAL  45          1HG1      VAL  45   7.083   9.463  -5.063
  311   2HG1  VAL  45          2HG1      VAL  45   6.594   9.414  -3.352
  312   3HG1  VAL  45          3HG1      VAL  45   7.830   8.285  -3.957
  313   1HG2  VAL  45          1HG2      VAL  45   4.308   8.351  -3.110
  314   2HG2  VAL  45          2HG2      VAL  45   4.330   6.621  -3.525
  315   3HG2  VAL  45          3HG2      VAL  45   5.589   7.297  -2.464
  316    HA   PRO  46           HA       PRO  46   1.515   6.223  -6.446
  317   1HB   PRO  46          1HB       PRO  46   1.941   3.539  -6.161
  318   2HB   PRO  46          2HB       PRO  46   2.127   4.382  -7.686
  319   1HG   PRO  46          1HG       PRO  46   4.221   3.376  -5.858
  320   2HG   PRO  46          2HG       PRO  46   4.361   3.826  -7.546
  321   1HD   PRO  46          1HD       PRO  46   5.219   5.364  -5.283
  322   2HD   PRO  46          2HD       PRO  46   5.253   5.863  -6.962
  323    H    TRP  47           H        TRP  47   0.649   7.303  -4.654
  324    HA   TRP  47           HA       TRP  47   0.979   6.932  -2.096
  325   1HB   TRP  47          1HB       TRP  47  -1.508   7.212  -3.708
  326   2HB   TRP  47          2HB       TRP  47  -1.684   6.844  -2.004
  327    HD1  TRP  47           HD1      TRP  47   1.221   9.126  -3.048
  328    HE1  TRP  47           HE1      TRP  47   0.856  11.601  -2.208
  329    HE3  TRP  47           HE3      TRP  47  -3.561   8.440  -1.461
  330    HZ2  TRP  47           HZ2      TRP  47  -1.343  12.963  -1.001
  331    HZ3  TRP  47           HZ3      TRP  47  -4.746  10.393  -0.464
  332    HH2  TRP  47           HH2      TRP  47  -3.713  12.596  -0.223
  333    H    CYS  48           H        CYS  48  -1.088   4.672  -4.069
  334    HA   CYS  48           HA       CYS  48  -0.950   2.752  -1.913
  335   1HB   CYS  48          1HB       CYS  48  -3.022   3.361  -3.369
  336   2HB   CYS  48          2HB       CYS  48  -2.305   2.285  -4.552
  337    H    PHE  49           H        PHE  49   0.726   1.297  -1.846
  338    HA   PHE  49           HA       PHE  49   1.747   0.309  -4.393
  339   1HB   PHE  49          1HB       PHE  49   4.078   0.542  -3.237
  340   2HB   PHE  49          2HB       PHE  49   3.344   2.036  -3.785
  341    HD1  PHE  49           HD1      PHE  49   3.661  -0.107  -0.756
  342    HD2  PHE  49           HD2      PHE  49   3.072   3.803  -2.298
  343    HE1  PHE  49           HE1      PHE  49   3.845   0.835   1.563
  344    HE2  PHE  49           HE2      PHE  49   3.256   4.745   0.022
  345    HZ   PHE  49           HZ       PHE  49   3.640   3.250   1.924
  346    H    LYS  50           H        LYS  50   3.209  -1.666  -4.027
  347    HA   LYS  50           HA       LYS  50   1.811  -3.480  -2.379
  348   1HB   LYS  50          1HB       LYS  50   4.397  -3.703  -3.943
  349   2HB   LYS  50          2HB       LYS  50   3.656  -5.046  -3.097
  350   1HG   LYS  50          1HG       LYS  50   1.487  -4.094  -4.498
  351   2HG   LYS  50          2HG       LYS  50   2.782  -3.665  -5.597
  352   1HD   LYS  50          1HD       LYS  50   3.377  -6.309  -4.717
  353   2HD   LYS  50          2HD       LYS  50   1.652  -6.297  -5.030
  354   1HE   LYS  50          1HE       LYS  50   2.583  -4.912  -7.232
  355   2HE   LYS  50          2HE       LYS  50   3.927  -5.997  -6.938
  356   1HZ   LYS  50          1HZ       LYS  50   1.347  -7.228  -6.771
  357   2HZ   LYS  50          2HZ       LYS  50   1.730  -6.670  -8.257
  358   3HZ   LYS  50          3HZ       LYS  50   2.704  -7.749  -7.514
  359    HA   PRO  51           HA       PRO  51   4.060  -3.265   1.297
  360   1HB   PRO  51          1HB       PRO  51   4.143  -5.853   2.171
  361   2HB   PRO  51          2HB       PRO  51   2.728  -4.832   2.333
  362   1HG   PRO  51          1HG       PRO  51   3.207  -7.048   0.436
  363   2HG   PRO  51          2HG       PRO  51   1.687  -6.309   0.901
  364   1HD   PRO  51          1HD       PRO  51   3.124  -5.884  -1.545
  365   2HD   PRO  51          2HD       PRO  51   1.665  -5.060  -1.029
  366    H    LEU  52           H        LEU  52   6.092  -2.688   1.700
  367    HA   LEU  52           HA       LEU  52   8.172  -3.211   0.153
  368   1HB   LEU  52          1HB       LEU  52   8.370  -1.698   1.948
  369   2HB   LEU  52          2HB       LEU  52   8.045  -2.934   3.146
  370    HG   LEU  52           HG       LEU  52  10.524  -2.885   1.406
  371   1HD1  LEU  52          1HD1      LEU  52   9.950  -1.622   4.069
  372   2HD1  LEU  52          2HD1      LEU  52  11.585  -2.218   3.692
  373   3HD1  LEU  52          3HD1      LEU  52  10.833  -0.974   2.665
  374   1HD2  LEU  52          1HD2      LEU  52   9.406  -4.819   3.262
  375   2HD2  LEU  52          2HD2      LEU  52  10.779  -4.969   2.138
  376   3HD2  LEU  52          3HD2      LEU  52  11.029  -4.287   3.763
  377    H    GLN  53           H        GLN  53   9.493  -4.873  -0.453
  378    HA   GLN  53           HA       GLN  53   8.677  -7.461   0.156
  379   1HB   GLN  53          1HB       GLN  53  10.716  -8.142  -1.113
  380   2HB   GLN  53          2HB       GLN  53   9.777  -6.927  -1.956
  381   1HG   GLN  53          1HG       GLN  53  11.748  -5.685  -0.166
  382   2HG   GLN  53          2HG       GLN  53  12.523  -6.784  -1.291
  383   2HE2  GLN  53          2HE2      GLN  53  11.075  -3.757  -0.823
  384   1HE2  GLN  53          1HE2      GLN  53  11.080  -3.173  -2.454
  385    H    GLU  54           H        GLU  54   8.682  -7.255   2.588
  386    HA   GLU  54           HA       GLU  54  10.760  -6.747   4.161
  387   1HB   GLU  54          1HB       GLU  54   9.648  -7.955   5.843
  388   2HB   GLU  54          2HB       GLU  54   8.357  -7.603   4.712
  389   1HG   GLU  54          1HG       GLU  54   8.800  -9.884   3.635
  390   2HG   GLU  54          2HG       GLU  54   9.905 -10.222   4.952
  391    H    ALA  55           H        ALA  55  12.819  -7.498   4.450
  392    HA   ALA  55           HA       ALA  55  13.385 -10.292   4.036
  393   1HB   ALA  55          1HB       ALA  55  14.001 -10.026   1.879
  394   2HB   ALA  55          2HB       ALA  55  15.404  -9.135   2.514
  395   3HB   ALA  55          3HB       ALA  55  13.948  -8.251   1.997
  396    H    GLU  56           H        GLU  56  14.746 -10.885   5.650
  397    HA   GLU  56           HA       GLU  56  15.610  -9.175   7.548
  398   1HB   GLU  56          1HB       GLU  56  16.240 -11.948   6.724
  399   2HB   GLU  56          2HB       GLU  56  17.534 -11.182   7.624
  400   1HG   GLU  56          1HG       GLU  56  16.301 -11.056   9.575
  401   2HG   GLU  56          2HG       GLU  56  14.794 -10.749   8.734
  402    H    CYS  57           H        CYS  57  16.626  -7.261   6.889
  403    HA   CYS  57           HA       CYS  57  19.372  -7.368   6.479
  404   1HB   CYS  57          1HB       CYS  57  19.084  -8.090   4.265
  405   2HB   CYS  57          2HB       CYS  57  17.728  -7.016   3.985
  406    H    THR  58           H        THR  58  16.548  -5.417   5.242
  407    HA   THR  58           HA       THR  58  17.544  -2.921   5.728
  408    HB   THR  58           HB       THR  58  15.162  -2.251   5.699
  409    HG1  THR  58           HG1      THR  58  14.787  -5.139   6.065
  410   1HG2  THR  58          1HG2      THR  58  16.272  -3.582   3.631
  411   2HG2  THR  58          2HG2      THR  58  15.071  -4.811   4.096
  412   3HG2  THR  58          3HG2      THR  58  14.539  -3.176   3.635
  413    H    PHE  59           H        PHE  59  16.327  -5.288   8.078
  414    HA   PHE  59           HA       PHE  59  16.307  -3.299  10.170
  415   1HB   PHE  59          1HB       PHE  59  14.624  -5.096  10.169
  416   2HB   PHE  59          2HB       PHE  59  15.849  -6.322   9.908
  417    HD1  PHE  59           HD1      PHE  59  15.021  -3.670  12.410
  418    HD2  PHE  59           HD2      PHE  59  16.467  -7.599  11.720
  419    HE1  PHE  59           HE1      PHE  59  15.171  -4.049  14.886
  420    HE2  PHE  59           HE2      PHE  59  16.616  -7.979  14.197
  421    HZ   PHE  59           HZ       PHE  59  15.966  -6.200  15.750

  No H/Q in entry =         421
  Start of MODEL   50
    1    H    GLU   1           H        GLU   1   6.472 -10.216  25.129
    2    HA   GLU   1           HA       GLU   1   4.323  -9.217  24.467
    3   1HB   GLU   1          1HB       GLU   1   7.012  -8.175  24.095
    4   2HB   GLU   1          2HB       GLU   1   5.939  -7.459  22.909
    5   1HG   GLU   1          1HG       GLU   1   5.051  -7.636  25.801
    6   2HG   GLU   1          2HG       GLU   1   6.167  -6.374  25.320
    7    H    GLU   2           H        GLU   2   3.026  -8.384  22.661
    8    HA   GLU   2           HA       GLU   2   2.755 -10.188  20.630
    9   1HB   GLU   2          1HB       GLU   2   1.199  -8.582  19.635
   10   2HB   GLU   2          2HB       GLU   2   1.007  -8.579  21.377
   11   1HG   GLU   2          1HG       GLU   2   2.904  -6.629  21.144
   12   2HG   GLU   2          2HG       GLU   2   2.127  -6.452  19.583
   13    H    TYR   3           H        TYR   3   2.744  -9.370  18.146
   14    HA   TYR   3           HA       TYR   3   5.206  -7.889  17.612
   15   1HB   TYR   3          1HB       TYR   3   6.047  -9.738  16.292
   16   2HB   TYR   3          2HB       TYR   3   5.412 -10.522  17.725
   17    HD1  TYR   3           HD1      TYR   3   3.266 -11.767  17.632
   18    HD2  TYR   3           HD2      TYR   3   5.014 -10.049  14.125
   19    HE1  TYR   3           HE1      TYR   3   1.768 -13.209  16.169
   20    HE2  TYR   3           HE2      TYR   3   3.510 -11.497  12.674
   21    HH   TYR   3           HH       TYR   3   1.901 -12.934  12.628
   22    H    VAL   4           H        VAL   4   5.307  -6.982  15.456
   23    HA   VAL   4           HA       VAL   4   2.666  -6.933  14.165
   24    HB   VAL   4           HB       VAL   4   3.105  -4.668  13.535
   25   1HG1  VAL   4          1HG1      VAL   4   2.155  -5.067  15.783
   26   2HG1  VAL   4          2HG1      VAL   4   3.796  -5.029  16.471
   27   3HG1  VAL   4          3HG1      VAL   4   3.116  -3.570  15.713
   28   1HG2  VAL   4          1HG2      VAL   4   5.609  -5.022  13.259
   29   2HG2  VAL   4          2HG2      VAL   4   5.109  -3.468  13.969
   30   3HG2  VAL   4          3HG2      VAL   4   5.746  -4.760  15.014
   31    H    GLY   5           H        GLY   5   3.806  -5.404  11.883
   32   1HA   GLY   5          1HA       GLY   5   5.182  -7.666  10.573
   33   2HA   GLY   5          2HA       GLY   5   5.777  -6.025  10.418
   34    H    LEU   6           H        LEU   6   2.380  -5.952  10.764
   35    HA   LEU   6           HA       LEU   6   2.096  -5.762   7.848
   36   1HB   LEU   6          1HB       LEU   6  -0.112  -6.720   8.014
   37   2HB   LEU   6          2HB       LEU   6   1.107  -7.836   8.596
   38    HG   LEU   6           HG       LEU   6  -0.008  -6.238  10.767
   39   1HD1  LEU   6          1HD1      LEU   6  -1.913  -7.847   9.053
   40   2HD1  LEU   6          2HD1      LEU   6  -2.234  -7.414  10.750
   41   3HD1  LEU   6          3HD1      LEU   6  -2.035  -6.136   9.527
   42   1HD2  LEU   6          1HD2      LEU   6   1.253  -8.639  10.503
   43   2HD2  LEU   6          2HD2      LEU   6   0.333  -8.122  11.937
   44   3HD2  LEU   6          3HD2      LEU   6  -0.439  -9.153  10.708
   45    H    SER   7           H        SER   7   2.897  -3.552   9.235
   46    HA   SER   7           HA       SER   7   0.907  -1.760   8.648
   47   1HB   SER   7          1HB       SER   7   0.600  -0.978  11.174
   48   2HB   SER   7          2HB       SER   7  -0.454  -2.190  10.473
   49    HG   SER   7           HG       SER   7   1.238  -2.428  12.601
   50    H    ALA   8           H        ALA   8   2.370  -0.270   7.877
   51    HA   ALA   8           HA       ALA   8   3.826   1.430   8.070
   52   1HB   ALA   8          1HB       ALA   8   4.644   2.149  10.114
   53   2HB   ALA   8          2HB       ALA   8   4.903   0.494  10.716
   54   3HB   ALA   8          3HB       ALA   8   3.258   1.171  10.656
   55    H    ASN   9           H        ASN   9   4.918  -1.745   9.428
   56    HA   ASN   9           HA       ASN   9   7.531  -1.457   8.508
   57   1HB   ASN   9          1HB       ASN   9   6.679  -3.099  10.281
   58   2HB   ASN   9          2HB       ASN   9   5.988  -4.059   8.989
   59   2HD2  ASN   9          2HD2      ASN   9   7.763  -5.204  10.636
   60   1HD2  ASN   9          1HD2      ASN   9   9.279  -5.504   9.853
   61    H    GLN  10           H        GLN  10   4.672  -3.384   7.316
   62    HA   GLN  10           HA       GLN  10   5.952  -4.290   5.022
   63   1HB   GLN  10          1HB       GLN  10   3.515  -4.703   4.253
   64   2HB   GLN  10          2HB       GLN  10   4.049  -5.513   5.712
   65   1HG   GLN  10          1HG       GLN  10   2.889  -3.964   7.136
   66   2HG   GLN  10          2HG       GLN  10   2.682  -2.799   5.843
   67   2HE2  GLN  10          2HE2      GLN  10   1.815  -4.297   3.759
   68   1HE2  GLN  10          1HE2      GLN  10   0.268  -5.003   4.087
   69    H    CYS  11           H        CYS  11   4.405  -1.240   5.858
   70    HA   CYS  11           HA       CYS  11   4.633  -0.434   3.049
   71   1HB   CYS  11          1HB       CYS  11   2.953   1.170   4.895
   72   2HB   CYS  11          2HB       CYS  11   2.759   0.840   3.185
   73    H    ALA  12           H        ALA  12   6.960  -0.511   4.541
   74    HA   ALA  12           HA       ALA  12   7.303   2.257   5.465
   75   1HB   ALA  12          1HB       ALA  12   9.496   0.540   6.179
   76   2HB   ALA  12          2HB       ALA  12   8.331   1.358   7.247
   77   3HB   ALA  12          3HB       ALA  12   7.974  -0.270   6.622
   78    H    VAL  13           H        VAL  13   7.172   1.887   2.714
   79    HA   VAL  13           HA       VAL  13   9.871   1.491   1.755
   80    HB   VAL  13           HB       VAL  13   7.762   2.523  -0.036
   81   1HG1  VAL  13          1HG1      VAL  13  10.100   0.750  -0.107
   82   2HG1  VAL  13          2HG1      VAL  13   8.711   0.124  -1.027
   83   3HG1  VAL  13          3HG1      VAL  13   9.368   1.737  -1.395
   84   1HG2  VAL  13          1HG2      VAL  13   7.410   0.015   1.584
   85   2HG2  VAL  13          2HG2      VAL  13   6.208   1.235   1.100
   86   3HG2  VAL  13          3HG2      VAL  13   6.827   0.073  -0.097
   87    HA   PRO  14           HA       PRO  14  10.873   5.697   1.836
   88   1HB   PRO  14          1HB       PRO  14  12.929   5.762   0.037
   89   2HB   PRO  14          2HB       PRO  14  13.124   5.233   1.696
   90   1HG   PRO  14          1HG       PRO  14  13.020   3.605  -0.770
   91   2HG   PRO  14          2HG       PRO  14  13.627   3.162   0.814
   92   1HD   PRO  14          1HD       PRO  14  11.122   2.380  -0.344
   93   2HD   PRO  14          2HD       PRO  14  11.678   2.035   1.281
   94    H    ALA  15           H        ALA  15   9.243   4.299  -0.604
   95    HA   ALA  15           HA       ALA  15   7.766   5.338  -1.963
   96   1HB   ALA  15          1HB       ALA  15   9.258   7.929  -2.071
   97   2HB   ALA  15          2HB       ALA  15   7.507   7.621  -2.000
   98   3HB   ALA  15          3HB       ALA  15   8.494   7.492  -0.524
   99    H    LYS  16           H        LYS  16  11.207   5.147  -2.169
  100    HA   LYS  16           HA       LYS  16  11.161   5.553  -5.058
  101   1HB   LYS  16          1HB       LYS  16  13.615   5.489  -4.873
  102   2HB   LYS  16          2HB       LYS  16  12.903   6.732  -3.865
  103   1HG   LYS  16          1HG       LYS  16  14.623   5.557  -2.579
  104   2HG   LYS  16          2HG       LYS  16  13.054   5.205  -1.882
  105   1HD   LYS  16          1HD       LYS  16  13.038   2.990  -2.666
  106   2HD   LYS  16          2HD       LYS  16  14.105   3.342  -4.011
  107   1HE   LYS  16          1HE       LYS  16  16.006   3.004  -2.765
  108   2HE   LYS  16          2HE       LYS  16  15.353   3.820  -1.359
  109   1HZ   LYS  16          1HZ       LYS  16  13.937   1.797  -1.073
  110   2HZ   LYS  16          2HZ       LYS  16  14.860   1.057  -2.199
  111   3HZ   LYS  16          3HZ       LYS  16  15.534   1.579  -0.806
  112    H    ASP  17           H        ASP  17  10.215   3.171  -3.080
  113    HA   ASP  17           HA       ASP  17  11.298   1.160  -4.883
  114   1HB   ASP  17          1HB       ASP  17  12.469   0.692  -2.873
  115   2HB   ASP  17          2HB       ASP  17  11.110   1.141  -1.862
  116    H    ARG  18           H        ARG  18   8.710   2.853  -4.539
  117    HA   ARG  18           HA       ARG  18   6.769   1.026  -3.624
  118   1HB   ARG  18          1HB       ARG  18   6.314   3.478  -5.389
  119   2HB   ARG  18          2HB       ARG  18   5.151   2.727  -4.316
  120   1HG   ARG  18          1HG       ARG  18   7.754   4.037  -3.398
  121   2HG   ARG  18          2HG       ARG  18   6.185   4.816  -3.357
  122   1HD   ARG  18          1HD       ARG  18   5.427   2.714  -1.957
  123   2HD   ARG  18          2HD       ARG  18   7.142   2.434  -1.730
  124    HE   ARG  18           HE       ARG  18   7.139   4.165  -0.175
  125   1HH1  ARG  18          1HH1      ARG  18   4.515   4.720  -2.453
  126   2HH1  ARG  18          2HH1      ARG  18   3.942   6.140  -1.644
  127   1HH2  ARG  18          1HH2      ARG  18   6.384   6.038   0.893
  128   2HH2  ARG  18          2HH2      ARG  18   5.012   6.895   0.273
  129    H    VAL  19           H        VAL  19   5.899  -0.674  -4.773
  130    HA   VAL  19           HA       VAL  19   6.562  -0.909  -7.569
  131    HB   VAL  19           HB       VAL  19   5.078  -2.705  -5.639
  132   1HG1  VAL  19          1HG1      VAL  19   5.711  -2.962  -8.555
  133   2HG1  VAL  19          2HG1      VAL  19   5.815  -4.415  -7.531
  134   3HG1  VAL  19          3HG1      VAL  19   4.286  -3.510  -7.640
  135   1HG2  VAL  19          1HG2      VAL  19   7.488  -2.304  -5.125
  136   2HG2  VAL  19          2HG2      VAL  19   7.118  -3.998  -5.530
  137   3HG2  VAL  19          3HG2      VAL  19   7.900  -2.946  -6.734
  138    H    ASP  20           H        ASP  20   4.104   0.556  -5.713
  139    HA   ASP  20           HA       ASP  20   2.168   1.406  -6.189
  140   1HB   ASP  20          1HB       ASP  20   3.072   2.510  -8.096
  141   2HB   ASP  20          2HB       ASP  20   3.259   1.015  -8.990
  142    H    CYS  21           H        CYS  21   0.332   0.207  -5.676
  143    HA   CYS  21           HA       CYS  21   0.026  -2.420  -6.761
  144   1HB   CYS  21          1HB       CYS  21  -0.603  -1.358  -4.380
  145   2HB   CYS  21          2HB       CYS  21  -2.148  -1.145  -5.181
  146    H    GLY  22           H        GLY  22  -0.921   0.849  -7.527
  147   1HA   GLY  22          1HA       GLY  22  -2.204   0.090  -9.927
  148   2HA   GLY  22          2HA       GLY  22  -2.127   1.694  -9.227
  149    H    TYR  23           H        TYR  23  -3.799   2.435  -7.784
  150    HA   TYR  23           HA       TYR  23  -6.266   0.898  -8.092
  151   1HB   TYR  23          1HB       TYR  23  -4.729   1.757  -5.619
  152   2HB   TYR  23          2HB       TYR  23  -6.470   1.935  -5.540
  153    HD1  TYR  23           HD1      TYR  23  -7.789  -0.270  -6.437
  154    HD2  TYR  23           HD2      TYR  23  -3.841  -0.215  -4.790
  155    HE1  TYR  23           HE1      TYR  23  -8.007  -2.725  -5.816
  156    HE2  TYR  23           HE2      TYR  23  -4.072  -2.671  -4.175
  157    HH   TYR  23           HH       TYR  23  -6.752  -4.568  -5.306
  158    HA   PRO  24           HA       PRO  24  -7.828   4.856  -8.890
  159   1HB   PRO  24          1HB       PRO  24 -10.511   4.386  -8.664
  160   2HB   PRO  24          2HB       PRO  24  -9.586   3.992 -10.100
  161   1HG   PRO  24          1HG       PRO  24 -10.626   2.178  -8.010
  162   2HG   PRO  24          2HG       PRO  24 -10.087   1.790  -9.631
  163   1HD   PRO  24          1HD       PRO  24  -8.643   1.354  -7.191
  164   2HD   PRO  24          2HD       PRO  24  -8.058   1.074  -8.820
  165    H    HIS  25           H        HIS  25  -9.993   3.580  -6.406
  166    HA   HIS  25           HA       HIS  25  -9.693   6.121  -5.046
  167   1HB   HIS  25          1HB       HIS  25 -11.636   5.522  -3.814
  168   2HB   HIS  25          2HB       HIS  25 -11.939   5.136  -5.496
  169    HD1  HIS  25           HD1      HIS  25 -13.591   3.762  -3.289
  170    HD2  HIS  25           HD2      HIS  25 -10.077   2.151  -4.917
  171    HE1  HIS  25           HE1      HIS  25 -13.700   1.247  -2.877
  172    HE2  HIS  25           HE2      HIS  25 -11.540   0.305  -3.947
  173    H    VAL  26           H        VAL  26  -7.497   5.888  -4.306
  174    HA   VAL  26           HA       VAL  26  -7.055   3.692  -2.434
  175    HB   VAL  26           HB       VAL  26  -4.701   4.464  -2.540
  176   1HG1  VAL  26          1HG1      VAL  26  -6.015   3.832  -5.205
  177   2HG1  VAL  26          2HG1      VAL  26  -4.279   3.673  -4.848
  178   3HG1  VAL  26          3HG1      VAL  26  -5.460   2.658  -3.988
  179   1HG2  VAL  26          1HG2      VAL  26  -5.408   6.859  -3.196
  180   2HG2  VAL  26          2HG2      VAL  26  -3.958   6.173  -3.967
  181   3HG2  VAL  26          3HG2      VAL  26  -5.498   6.229  -4.858
  182    H    THR  27           H        THR  27  -6.906   3.996  -0.240
  183    HA   THR  27           HA       THR  27  -6.579   6.690   0.785
  184    HB   THR  27           HB       THR  27  -8.710   6.841   1.800
  185    HG1  THR  27           HG1      THR  27  -9.927   4.815   2.119
  186   1HG2  THR  27          1HG2      THR  27  -9.151   5.149  -0.715
  187   2HG2  THR  27          2HG2      THR  27 -10.458   5.962   0.180
  188   3HG2  THR  27          3HG2      THR  27  -9.190   6.926  -0.616
  189    HA   PRO  28           HA       PRO  28  -4.708   4.623   4.050
  190   1HB   PRO  28          1HB       PRO  28  -5.368   6.057   6.281
  191   2HB   PRO  28          2HB       PRO  28  -4.144   6.573   5.137
  192   1HG   PRO  28          1HG       PRO  28  -6.889   7.607   5.506
  193   2HG   PRO  28          2HG       PRO  28  -5.532   8.360   4.692
  194   1HD   PRO  28          1HD       PRO  28  -7.779   7.078   3.454
  195   2HD   PRO  28          2HD       PRO  28  -6.367   7.728   2.646
  196    H    LYS  29           H        LYS  29  -7.111   3.394   3.218
  197    HA   LYS  29           HA       LYS  29  -7.408   1.594   5.313
  198   1HB   LYS  29          1HB       LYS  29  -8.600   3.741   6.216
  199   2HB   LYS  29          2HB       LYS  29  -9.889   3.286   5.120
  200   1HG   LYS  29          1HG       LYS  29  -8.725   1.176   6.948
  201   2HG   LYS  29          2HG       LYS  29  -9.831   2.356   7.622
  202   1HD   LYS  29          1HD       LYS  29 -11.484   1.757   5.776
  203   2HD   LYS  29          2HD       LYS  29 -10.396   0.475   5.284
  204   1HE   LYS  29          1HE       LYS  29 -11.789  -0.712   6.730
  205   2HE   LYS  29          2HE       LYS  29 -10.529  -0.233   7.851
  206   1HZ   LYS  29          1HZ       LYS  29 -13.000   1.296   7.412
  207   2HZ   LYS  29          2HZ       LYS  29 -12.773   0.244   8.641
  208   3HZ   LYS  29          3HZ       LYS  29 -11.862   1.596   8.544
  209    H    GLU  30           H        GLU  30  -8.819   3.255   2.466
  210    HA   GLU  30           HA       GLU  30 -10.246   0.910   1.707
  211   1HB   GLU  30          1HB       GLU  30 -11.129   3.152   1.186
  212   2HB   GLU  30          2HB       GLU  30  -9.706   3.526   0.235
  213   1HG   GLU  30          1HG       GLU  30 -10.555   2.474  -1.590
  214   2HG   GLU  30          2HG       GLU  30 -10.854   1.007  -0.679
  215    H    CYS  31           H        CYS  31  -7.154   2.527   0.915
  216    HA   CYS  31           HA       CYS  31  -6.637   0.872  -1.334
  217   1HB   CYS  31          1HB       CYS  31  -5.527   2.861  -1.509
  218   2HB   CYS  31          2HB       CYS  31  -5.162   2.952   0.202
  219    H    ASN  32           H        ASN  32  -6.091   0.805   2.187
  220    HA   ASN  32           HA       ASN  32  -4.260  -1.384   1.962
  221   1HB   ASN  32          1HB       ASN  32  -3.975  -1.151   4.328
  222   2HB   ASN  32          2HB       ASN  32  -4.237   0.491   3.775
  223   2HD2  ASN  32          2HD2      ASN  32  -4.745   0.594   6.150
  224   1HD2  ASN  32          1HD2      ASN  32  -6.394   0.383   6.634
  225    H    ASN  33           H        ASN  33  -7.580  -0.983   1.676
  226    HA   ASN  33           HA       ASN  33  -8.226  -3.394   3.147
  227   1HB   ASN  33          1HB       ASN  33  -9.772  -1.553   3.546
  228   2HB   ASN  33          2HB       ASN  33  -9.917  -1.214   1.833
  229   2HD2  ASN  33          2HD2      ASN  33 -12.220  -1.369   2.500
  230   1HD2  ASN  33          1HD2      ASN  33 -13.010  -2.908   2.398
  231    H    ARG  34           H        ARG  34  -8.254  -1.844  -0.113
  232    HA   ARG  34           HA       ARG  34  -9.603  -3.769  -1.487
  233   1HB   ARG  34          1HB       ARG  34  -8.380  -1.413  -2.143
  234   2HB   ARG  34          2HB       ARG  34  -7.222  -2.528  -2.839
  235   1HG   ARG  34          1HG       ARG  34  -9.066  -1.808  -4.430
  236   2HG   ARG  34          2HG       ARG  34  -8.898  -3.544  -4.258
  237   1HD   ARG  34          1HD       ARG  34 -10.757  -2.334  -2.280
  238   2HD   ARG  34          2HD       ARG  34 -11.272  -2.126  -3.942
  239    HE   ARG  34           HE       ARG  34 -10.426  -4.839  -3.597
  240   1HH1  ARG  34          1HH1      ARG  34 -13.022  -2.678  -2.607
  241   2HH1  ARG  34          2HH1      ARG  34 -14.184  -3.950  -2.427
  242   1HH2  ARG  34          1HH2      ARG  34 -11.959  -6.517  -3.358
  243   2HH2  ARG  34          2HH2      ARG  34 -13.575  -6.148  -2.856
  244    H    GLY  35           H        GLY  35  -6.306  -3.748  -0.192
  245   1HA   GLY  35          1HA       GLY  35  -5.803  -6.361  -1.490
  246   2HA   GLY  35          2HA       GLY  35  -5.435  -6.023   0.189
  247    H    CYS  36           H        CYS  36  -3.915  -4.091   0.614
  248    HA   CYS  36           HA       CYS  36  -1.508  -4.514  -0.546
  249   1HB   CYS  36          1HB       CYS  36  -3.125  -3.162  -2.414
  250   2HB   CYS  36          2HB       CYS  36  -2.027  -1.953  -1.777
  251    H    CYS  37           H        CYS  37  -0.560  -1.711  -0.593
  252    HA   CYS  37           HA       CYS  37  -1.211  -0.976   2.169
  253   1HB   CYS  37          1HB       CYS  37   1.400  -1.272   0.781
  254   2HB   CYS  37          2HB       CYS  37   1.235   0.093   1.868
  255    H    PHE  38           H        PHE  38  -1.180   1.380   2.591
  256    HA   PHE  38           HA       PHE  38  -1.542   2.920   0.116
  257   1HB   PHE  38          1HB       PHE  38  -3.652   2.591   1.373
  258   2HB   PHE  38          2HB       PHE  38  -2.864   2.983   2.888
  259    HD1  PHE  38           HD1      PHE  38  -4.055   4.402  -0.304
  260    HD2  PHE  38           HD2      PHE  38  -2.636   5.237   3.607
  261    HE1  PHE  38           HE1      PHE  38  -4.739   6.803  -0.568
  262    HE2  PHE  38           HE2      PHE  38  -3.320   7.638   3.343
  263    HZ   PHE  38           HZ       PHE  38  -4.364   8.392   1.258
  264    H    ASP  39           H        ASP  39  -1.367   5.428   0.680
  265    HA   ASP  39           HA       ASP  39   0.234   6.185   2.802
  266   1HB   ASP  39          1HB       ASP  39   2.095   5.045   1.795
  267   2HB   ASP  39          2HB       ASP  39   1.658   5.582   0.185
  268    H    SER  40           H        SER  40   0.414   8.531   2.794
  269    HA   SER  40           HA       SER  40  -0.506   9.809   0.350
  270   1HB   SER  40          1HB       SER  40  -1.965  11.315   1.661
  271   2HB   SER  40          2HB       SER  40  -2.454   9.643   1.851
  272    HG   SER  40           HG       SER  40  -0.601  10.751   3.733
  273    H    ARG  41           H        ARG  41   2.095   9.356   2.061
  274    HA   ARG  41           HA       ARG  41   2.793  11.741   3.220
  275   1HB   ARG  41          1HB       ARG  41   3.986   9.299   2.949
  276   2HB   ARG  41          2HB       ARG  41   4.928  10.192   1.772
  277   1HG   ARG  41          1HG       ARG  41   4.693  11.863   4.099
  278   2HG   ARG  41          2HG       ARG  41   5.119  10.259   4.662
  279   1HD   ARG  41          1HD       ARG  41   7.270  10.753   4.102
  280   2HD   ARG  41          2HD       ARG  41   6.781  10.602   2.426
  281    HE   ARG  41           HE       ARG  41   6.037  13.198   3.105
  282   1HH1  ARG  41          1HH1      ARG  41   9.043  11.372   3.208
  283   2HH1  ARG  41          2HH1      ARG  41  10.046  12.765   2.979
  284   1HH2  ARG  41          1HH2      ARG  41   7.360  15.037   2.802
  285   2HH2  ARG  41          2HH2      ARG  41   9.083  14.864   2.747
  286    H    ILE  42           H        ILE  42   3.395  10.496  -0.142
  287    HA   ILE  42           HA       ILE  42   3.487  13.253  -1.058
  288    HB   ILE  42           HB       ILE  42   5.537  12.166  -2.500
  289   1HG1  ILE  42          1HG1      ILE  42   7.125  11.221  -0.852
  290   2HG1  ILE  42          2HG1      ILE  42   5.858  11.205   0.359
  291   1HG2  ILE  42          1HG2      ILE  42   5.145  14.417  -1.178
  292   2HG2  ILE  42          2HG2      ILE  42   6.189  13.625   0.026
  293   3HG2  ILE  42          3HG2      ILE  42   6.780  13.880  -1.633
  294   1HD1  ILE  42          1HD1      ILE  42   5.039   9.925  -2.181
  295   2HD1  ILE  42          2HD1      ILE  42   6.420   9.127  -1.391
  296   3HD1  ILE  42          3HD1      ILE  42   4.888   9.333  -0.509
  297    HA   PRO  43           HA       PRO  43   1.140  11.343  -4.154
  298   1HB   PRO  43          1HB       PRO  43   0.886  13.454  -5.872
  299   2HB   PRO  43          2HB       PRO  43  -0.123  13.244  -4.455
  300   1HG   PRO  43          1HG       PRO  43   2.118  15.125  -4.872
  301   2HG   PRO  43          2HG       PRO  43   0.848  15.182  -3.666
  302   1HD   PRO  43          1HD       PRO  43   3.567  14.363  -3.258
  303   2HD   PRO  43          2HD       PRO  43   2.269  14.310  -2.082
  304    H    GLY  44           H        GLY  44   4.043  13.074  -5.047
  305   1HA   GLY  44          1HA       GLY  44   5.739  12.335  -6.366
  306   2HA   GLY  44          2HA       GLY  44   4.487  12.403  -7.591
  307    H    VAL  45           H        VAL  45   4.811  10.149  -4.771
  308    HA   VAL  45           HA       VAL  45   5.423   7.985  -6.614
  309    HB   VAL  45           HB       VAL  45   6.274   6.870  -4.820
  310   1HG1  VAL  45          1HG1      VAL  45   7.108   9.409  -5.063
  311   2HG1  VAL  45          2HG1      VAL  45   6.534   9.466  -3.379
  312   3HG1  VAL  45          3HG1      VAL  45   7.778   8.286  -3.856
  313   1HG2  VAL  45          1HG2      VAL  45   4.293   8.357  -3.071
  314   2HG2  VAL  45          2HG2      VAL  45   4.292   6.629  -3.497
  315   3HG2  VAL  45          3HG2      VAL  45   5.563   7.284  -2.437
  316    HA   PRO  46           HA       PRO  46   1.478   6.227  -6.411
  317   1HB   PRO  46          1HB       PRO  46   1.904   3.540  -6.150
  318   2HB   PRO  46          2HB       PRO  46   2.081   4.394  -7.669
  319   1HG   PRO  46          1HG       PRO  46   4.185   3.372  -5.862
  320   2HG   PRO  46          2HG       PRO  46   4.315   3.835  -7.548
  321   1HD   PRO  46          1HD       PRO  46   5.189   5.355  -5.278
  322   2HD   PRO  46          2HD       PRO  46   5.212   5.866  -6.954
  323    H    TRP  47           H        TRP  47   0.610   7.284  -4.612
  324    HA   TRP  47           HA       TRP  47   0.958   6.901  -2.056
  325   1HB   TRP  47          1HB       TRP  47  -1.542   7.177  -3.652
  326   2HB   TRP  47          2HB       TRP  47  -1.702   6.807  -1.946
  327    HD1  TRP  47           HD1      TRP  47   1.188   9.099  -3.007
  328    HE1  TRP  47           HE1      TRP  47   0.821  11.572  -2.162
  329    HE3  TRP  47           HE3      TRP  47  -3.581   8.397  -1.391
  330    HZ2  TRP  47           HZ2      TRP  47  -1.373  12.926  -0.939
  331    HZ3  TRP  47           HZ3      TRP  47  -4.765  10.346  -0.384
  332    HH2  TRP  47           HH2      TRP  47  -3.737  12.550  -0.146
  333    H    CYS  48           H        CYS  48  -1.063   4.631  -4.063
  334    HA   CYS  48           HA       CYS  48  -0.933   2.703  -1.909
  335   1HB   CYS  48          1HB       CYS  48  -3.007   3.303  -3.359
  336   2HB   CYS  48          2HB       CYS  48  -2.278   2.253  -4.559
  337    H    PHE  49           H        PHE  49   0.729   1.231  -1.850
  338    HA   PHE  49           HA       PHE  49   1.773   0.277  -4.399
  339   1HB   PHE  49          1HB       PHE  49   4.100   0.517  -3.241
  340   2HB   PHE  49          2HB       PHE  49   3.356   2.012  -3.772
  341    HD1  PHE  49           HD1      PHE  49   3.688  -0.162  -0.767
  342    HD2  PHE  49           HD2      PHE  49   3.072   3.761  -2.264
  343    HE1  PHE  49           HE1      PHE  49   3.867   0.755   1.562
  344    HE2  PHE  49           HE2      PHE  49   3.251   4.678   0.065
  345    HZ   PHE  49           HZ       PHE  49   3.646   3.164   1.951
  346    H    LYS  50           H        LYS  50   3.319  -1.663  -3.988
  347    HA   LYS  50           HA       LYS  50   1.904  -3.495  -2.344
  348   1HB   LYS  50          1HB       LYS  50   4.445  -3.718  -3.979
  349   2HB   LYS  50          2HB       LYS  50   3.738  -5.062  -3.103
  350   1HG   LYS  50          1HG       LYS  50   1.520  -4.138  -4.436
  351   2HG   LYS  50          2HG       LYS  50   2.771  -3.688  -5.577
  352   1HD   LYS  50          1HD       LYS  50   3.447  -6.319  -4.742
  353   2HD   LYS  50          2HD       LYS  50   1.709  -6.344  -4.958
  354   1HE   LYS  50          1HE       LYS  50   2.555  -4.911  -7.198
  355   2HE   LYS  50          2HE       LYS  50   3.854  -6.069  -6.988
  356   1HZ   LYS  50          1HZ       LYS  50   1.000  -6.758  -7.112
  357   2HZ   LYS  50          2HZ       LYS  50   2.069  -6.941  -8.333
  358   3HZ   LYS  50          3HZ       LYS  50   2.229  -7.823  -6.968
  359    HA   PRO  51           HA       PRO  51   4.246  -3.299   1.275
  360   1HB   PRO  51          1HB       PRO  51   4.376  -5.893   2.127
  361   2HB   PRO  51          2HB       PRO  51   2.956  -4.887   2.332
  362   1HG   PRO  51          1HG       PRO  51   3.409  -7.084   0.406
  363   2HG   PRO  51          2HG       PRO  51   1.894  -6.364   0.915
  364   1HD   PRO  51          1HD       PRO  51   3.265  -5.906  -1.563
  365   2HD   PRO  51          2HD       PRO  51   1.812  -5.101  -1.004
  366    H    LEU  52           H        LEU  52   6.285  -2.747   1.697
  367    HA   LEU  52           HA       LEU  52   8.339  -3.173   0.098
  368   1HB   LEU  52          1HB       LEU  52   8.587  -1.771   1.963
  369   2HB   LEU  52          2HB       LEU  52   8.246  -3.060   3.100
  370    HG   LEU  52           HG       LEU  52  10.708  -3.049   1.343
  371   1HD1  LEU  52          1HD1      LEU  52  10.214  -1.113   3.212
  372   2HD1  LEU  52          2HD1      LEU  52  11.076  -2.339   4.172
  373   3HD1  LEU  52          3HD1      LEU  52  11.827  -1.668   2.705
  374   1HD2  LEU  52          1HD2      LEU  52   9.559  -4.964   3.113
  375   2HD2  LEU  52          2HD2      LEU  52  11.086  -5.055   2.203
  376   3HD2  LEU  52          3HD2      LEU  52  11.068  -4.366   3.844
  377    H    GLN  53           H        GLN  53   9.924  -4.723  -0.379
  378    HA   GLN  53           HA       GLN  53   9.057  -7.361  -0.170
  379   1HB   GLN  53          1HB       GLN  53  11.315  -5.889  -1.360
  380   2HB   GLN  53          2HB       GLN  53  11.784  -7.481  -0.798
  381   1HG   GLN  53          1HG       GLN  53  10.931  -8.256  -2.763
  382   2HG   GLN  53          2HG       GLN  53   9.355  -8.017  -2.036
  383   2HE2  GLN  53          2HE2      GLN  53   9.047  -5.349  -1.937
  384   1HE2  GLN  53          1HE2      GLN  53   9.028  -4.641  -3.517
  385    H    GLU  54           H        GLU  54   8.724  -7.321   2.273
  386    HA   GLU  54           HA       GLU  54  10.597  -7.016   4.134
  387   1HB   GLU  54          1HB       GLU  54   9.249  -8.324   5.559
  388   2HB   GLU  54          2HB       GLU  54   8.123  -7.792   4.326
  389   1HG   GLU  54          1HG       GLU  54   7.634 -10.074   4.382
  390   2HG   GLU  54          2HG       GLU  54   8.827 -10.040   3.098
  391    H    ALA  55           H        ALA  55  12.604  -7.835   4.546
  392    HA   ALA  55           HA       ALA  55  13.191 -10.569   4.385
  393   1HB   ALA  55          1HB       ALA  55  13.609 -10.796   2.183
  394   2HB   ALA  55          2HB       ALA  55  15.019  -9.738   2.431
  395   3HB   ALA  55          3HB       ALA  55  13.467  -9.044   1.906
  396    H    GLU  56           H        GLU  56  14.696  -7.306   3.813
  397    HA   GLU  56           HA       GLU  56  17.088  -7.715   4.907
  398   1HB   GLU  56          1HB       GLU  56  15.387  -5.445   4.378
  399   2HB   GLU  56          2HB       GLU  56  16.179  -5.181   5.919
  400   1HG   GLU  56          1HG       GLU  56  17.983  -4.493   4.714
  401   2HG   GLU  56          2HG       GLU  56  18.261  -6.188   4.366
  402    H    CYS  57           H        CYS  57  17.776  -8.586   6.809
  403    HA   CYS  57           HA       CYS  57  16.629  -7.664   9.257
  404   1HB   CYS  57          1HB       CYS  57  15.277  -9.754   8.227
  405   2HB   CYS  57          2HB       CYS  57  16.542 -10.625   9.070
  406    H    THR  58           H        THR  58  18.825  -6.930   9.558
  407    HA   THR  58           HA       THR  58  20.953  -7.085  10.182
  408    HB   THR  58           HB       THR  58  20.088  -9.890  11.064
  409    HG1  THR  58           HG1      THR  58  20.261  -7.288  12.409
  410   1HG2  THR  58          1HG2      THR  58  22.623  -8.493  11.276
  411   2HG2  THR  58          2HG2      THR  58  21.866  -8.549  12.886
  412   3HG2  THR  58          3HG2      THR  58  22.168 -10.058  11.992
  413    H    PHE  59           H        PHE  59  21.518  -6.866   7.899
  414    HA   PHE  59           HA       PHE  59  22.501  -7.508   6.018
  415   1HB   PHE  59          1HB       PHE  59  23.942  -8.467   8.385
  416   2HB   PHE  59          2HB       PHE  59  24.216  -9.595   7.071
  417    HD1  PHE  59           HD1      PHE  59  24.691  -8.280   4.722
  418    HD2  PHE  59           HD2      PHE  59  25.524  -6.820   8.619
  419    HE1  PHE  59           HE1      PHE  59  26.443  -6.752   3.776
  420    HE2  PHE  59           HE2      PHE  59  27.276  -5.292   7.672
  421    HZ   PHE  59           HZ       PHE  59  27.715  -5.277   5.262

  No H/Q in entry =         421
  Start of MODEL   51
    1    H    GLU   1           H        GLU   1  13.478 -14.499  15.408
    2    HA   GLU   1           HA       GLU   1  11.698 -15.626  14.731
    3   1HB   GLU   1          1HB       GLU   1  12.098 -15.767  17.541
    4   2HB   GLU   1          2HB       GLU   1  10.360 -15.736  17.319
    5   1HG   GLU   1          1HG       GLU   1  10.795 -18.029  17.119
    6   2HG   GLU   1          2HG       GLU   1  10.815 -17.537  15.437
    7    H    GLU   2           H        GLU   2  10.460 -13.211  17.159
    8    HA   GLU   2           HA       GLU   2   7.898 -13.121  16.513
    9   1HB   GLU   2          1HB       GLU   2   9.870 -11.141  17.489
   10   2HB   GLU   2          2HB       GLU   2   8.465 -10.406  16.742
   11   1HG   GLU   2          1HG       GLU   2   7.665 -12.631  18.473
   12   2HG   GLU   2          2HG       GLU   2   8.642 -11.481  19.363
   13    H    TYR   3           H        TYR   3   6.533 -12.323  14.886
   14    HA   TYR   3           HA       TYR   3   7.370 -10.540  12.895
   15   1HB   TYR   3          1HB       TYR   3   8.720 -12.319  11.971
   16   2HB   TYR   3          2HB       TYR   3   7.599 -13.557  12.501
   17    HD1  TYR   3           HD1      TYR   3   7.715 -10.630  10.151
   18    HD2  TYR   3           HD2      TYR   3   6.252 -14.579  10.907
   19    HE1  TYR   3           HE1      TYR   3   6.684 -10.701   7.828
   20    HE2  TYR   3           HE2      TYR   3   5.227 -14.636   8.581
   21    HH   TYR   3           HH       TYR   3   4.371 -12.689   6.944
   22    H    VAL   4           H        VAL   4   5.393  -9.525  12.986
   23    HA   VAL   4           HA       VAL   4   3.228 -10.747  11.669
   24    HB   VAL   4           HB       VAL   4   3.054 -11.961  13.790
   25   1HG1  VAL   4          1HG1      VAL   4   3.891  -9.635  14.987
   26   2HG1  VAL   4          2HG1      VAL   4   2.152  -9.643  15.370
   27   3HG1  VAL   4          3HG1      VAL   4   3.173 -11.026  15.835
   28   1HG2  VAL   4          1HG2      VAL   4   1.030 -11.399  12.470
   29   2HG2  VAL   4          2HG2      VAL   4   0.699 -11.532  14.214
   30   3HG2  VAL   4          3HG2      VAL   4   0.822  -9.929  13.451
   31    H    GLY   5           H        GLY   5   4.572  -8.508  11.015
   32   1HA   GLY   5          1HA       GLY   5   4.566  -6.135  11.452
   33   2HA   GLY   5          2HA       GLY   5   2.933  -6.285  12.070
   34    H    LEU   6           H        LEU   6   1.284  -5.777  10.693
   35    HA   LEU   6           HA       LEU   6   1.912  -5.873   7.824
   36   1HB   LEU   6          1HB       LEU   6  -0.574  -6.303   7.552
   37   2HB   LEU   6          2HB       LEU   6   0.437  -7.631   8.086
   38    HG   LEU   6           HG       LEU   6  -0.838  -6.026  10.236
   39   1HD1  LEU   6          1HD1      LEU   6  -2.395  -7.296   8.078
   40   2HD1  LEU   6          2HD1      LEU   6  -2.870  -7.766   9.728
   41   3HD1  LEU   6          3HD1      LEU   6  -2.860  -6.049   9.260
   42   1HD2  LEU   6          1HD2      LEU   6   0.523  -8.436  10.060
   43   2HD2  LEU   6          2HD2      LEU   6  -0.412  -7.842  11.453
   44   3HD2  LEU   6          3HD2      LEU   6  -1.178  -8.921  10.262
   45    H    SER   7           H        SER   7   2.285  -3.707   9.858
   46    HA   SER   7           HA       SER   7   0.769  -1.745   8.396
   47   1HB   SER   7          1HB       SER   7   0.155  -0.572  10.578
   48   2HB   SER   7          2HB       SER   7  -0.738  -2.039  10.231
   49    HG   SER   7           HG       SER   7   0.393  -3.163  11.791
   50    H    ALA   8           H        ALA   8   2.166  -0.110   7.830
   51    HA   ALA   8           HA       ALA   8   3.808   1.392   8.008
   52   1HB   ALA   8          1HB       ALA   8   4.365   2.090  10.078
   53   2HB   ALA   8          2HB       ALA   8   5.085   0.516  10.494
   54   3HB   ALA   8          3HB       ALA   8   3.335   0.774  10.692
   55    H    ASN   9           H        ASN   9   5.319  -1.316   9.877
   56    HA   ASN   9           HA       ASN   9   7.657  -1.343   8.598
   57   1HB   ASN   9          1HB       ASN   9   6.002  -3.411  10.001
   58   2HB   ASN   9          2HB       ASN   9   7.288  -4.056   8.999
   59   2HD2  ASN   9          2HD2      ASN   9   6.677  -3.539  12.009
   60   1HD2  ASN   9          1HD2      ASN   9   8.174  -2.942  12.645
   61    H    GLN  10           H        GLN  10   4.509  -2.639   7.513
   62    HA   GLN  10           HA       GLN  10   5.677  -4.066   5.333
   63   1HB   GLN  10          1HB       GLN  10   3.392  -4.437   6.732
   64   2HB   GLN  10          2HB       GLN  10   2.736  -3.472   5.426
   65   1HG   GLN  10          1HG       GLN  10   4.121  -5.140   3.879
   66   2HG   GLN  10          2HG       GLN  10   4.075  -6.183   5.287
   67   2HE2  GLN  10          2HE2      GLN  10   2.749  -7.710   4.461
   68   1HE2  GLN  10          1HE2      GLN  10   1.075  -7.469   4.085
   69    H    CYS  11           H        CYS  11   4.084  -0.929   5.952
   70    HA   CYS  11           HA       CYS  11   4.454  -0.299   3.115
   71   1HB   CYS  11          1HB       CYS  11   2.692   1.390   4.812
   72   2HB   CYS  11          2HB       CYS  11   2.585   1.005   3.106
   73    H    ALA  12           H        ALA  12   6.728  -0.261   4.677
   74    HA   ALA  12           HA       ALA  12   7.026   2.564   5.433
   75   1HB   ALA  12          1HB       ALA  12   9.209   1.207   6.459
   76   2HB   ALA  12          2HB       ALA  12   7.730   1.611   7.362
   77   3HB   ALA  12          3HB       ALA  12   7.904   0.007   6.612
   78    H    VAL  13           H        VAL  13   7.001   2.048   2.716
   79    HA   VAL  13           HA       VAL  13   9.721   1.565   1.871
   80    HB   VAL  13           HB       VAL  13   7.670   2.544  -0.023
   81   1HG1  VAL  13          1HG1      VAL  13   9.968   0.678   0.047
   82   2HG1  VAL  13          2HG1      VAL  13   8.608   0.178  -0.987
   83   3HG1  VAL  13          3HG1      VAL  13   9.396   1.753  -1.251
   84   1HG2  VAL  13          1HG2      VAL  13   7.298   0.067   1.649
   85   2HG2  VAL  13          2HG2      VAL  13   6.103   1.291   1.157
   86   3HG2  VAL  13          3HG2      VAL  13   6.716   0.118  -0.032
   87    HA   PRO  14           HA       PRO  14  10.809   5.747   1.768
   88   1HB   PRO  14          1HB       PRO  14  12.896   5.693   0.004
   89   2HB   PRO  14          2HB       PRO  14  13.052   5.233   1.688
   90   1HG   PRO  14          1HG       PRO  14  12.957   3.500  -0.705
   91   2HG   PRO  14          2HG       PRO  14  13.528   3.116   0.906
   92   1HD   PRO  14          1HD       PRO  14  11.027   2.334  -0.260
   93   2HD   PRO  14          2HD       PRO  14  11.549   2.049   1.388
   94    H    ALA  15           H        ALA  15   9.134   4.305  -0.586
   95    HA   ALA  15           HA       ALA  15   7.713   5.318  -2.016
   96   1HB   ALA  15          1HB       ALA  15   9.280   7.845  -2.281
   97   2HB   ALA  15          2HB       ALA  15   7.523   7.597  -2.144
   98   3HB   ALA  15          3HB       ALA  15   8.548   7.522  -0.691
   99    H    LYS  16           H        LYS  16  11.168   5.067  -2.196
  100    HA   LYS  16           HA       LYS  16  11.134   5.286  -5.103
  101   1HB   LYS  16          1HB       LYS  16  13.584   5.175  -4.905
  102   2HB   LYS  16          2HB       LYS  16  12.900   6.489  -3.968
  103   1HG   LYS  16          1HG       LYS  16  14.581   5.358  -2.604
  104   2HG   LYS  16          2HG       LYS  16  13.002   5.052  -1.907
  105   1HD   LYS  16          1HD       LYS  16  12.972   2.803  -2.592
  106   2HD   LYS  16          2HD       LYS  16  14.060   3.083  -3.937
  107   1HE   LYS  16          1HE       LYS  16  15.719   3.747  -1.859
  108   2HE   LYS  16          2HE       LYS  16  14.694   2.575  -1.054
  109   1HZ   LYS  16          1HZ       LYS  16  15.166   1.049  -2.886
  110   2HZ   LYS  16          2HZ       LYS  16  16.196   2.134  -3.540
  111   3HZ   LYS  16          3HZ       LYS  16  16.519   1.480  -2.079
  112    H    ASP  17           H        ASP  17  10.050   3.055  -3.073
  113    HA   ASP  17           HA       ASP  17  11.136   0.914  -4.714
  114   1HB   ASP  17          1HB       ASP  17  11.438   1.259  -1.866
  115   2HB   ASP  17          2HB       ASP  17  10.359  -0.099  -2.118
  116    H    ARG  18           H        ARG  18   8.586   2.716  -4.482
  117    HA   ARG  18           HA       ARG  18   6.572   0.975  -3.560
  118   1HB   ARG  18          1HB       ARG  18   6.214   3.373  -5.419
  119   2HB   ARG  18          2HB       ARG  18   5.022   2.700  -4.325
  120   1HG   ARG  18          1HG       ARG  18   7.650   4.003  -3.464
  121   2HG   ARG  18          2HG       ARG  18   6.082   4.784  -3.421
  122   1HD   ARG  18          1HD       ARG  18   5.353   2.709  -1.954
  123   2HD   ARG  18          2HD       ARG  18   7.074   2.461  -1.734
  124    HE   ARG  18           HE       ARG  18   7.045   4.230  -0.223
  125   1HH1  ARG  18          1HH1      ARG  18   4.441   4.715  -2.539
  126   2HH1  ARG  18          2HH1      ARG  18   3.864   6.162  -1.781
  127   1HH2  ARG  18          1HH2      ARG  18   6.285   6.138   0.778
  128   2HH2  ARG  18          2HH2      ARG  18   4.920   6.977   0.119
  129    H    VAL  19           H        VAL  19   5.696  -0.745  -4.673
  130    HA   VAL  19           HA       VAL  19   6.430  -1.123  -7.423
  131    HB   VAL  19           HB       VAL  19   4.672  -2.752  -5.578
  132   1HG1  VAL  19          1HG1      VAL  19   6.000  -3.432  -8.222
  133   2HG1  VAL  19          2HG1      VAL  19   5.227  -4.616  -7.141
  134   3HG1  VAL  19          3HG1      VAL  19   4.254  -3.326  -7.890
  135   1HG2  VAL  19          1HG2      VAL  19   7.558  -2.366  -5.670
  136   2HG2  VAL  19          2HG2      VAL  19   6.557  -3.213  -4.467
  137   3HG2  VAL  19          3HG2      VAL  19   7.109  -4.069  -5.926
  138    H    ASP  20           H        ASP  20   4.016   0.615  -5.781
  139    HA   ASP  20           HA       ASP  20   2.137   1.525  -6.365
  140   1HB   ASP  20          1HB       ASP  20   3.212   2.552  -8.222
  141   2HB   ASP  20          2HB       ASP  20   3.385   1.035  -9.082
  142    H    CYS  21           H        CYS  21   0.370   0.239  -5.760
  143    HA   CYS  21           HA       CYS  21  -0.062  -2.303  -6.930
  144   1HB   CYS  21          1HB       CYS  21  -0.884  -0.961  -4.619
  145   2HB   CYS  21          2HB       CYS  21  -2.359  -1.205  -5.533
  146    H    GLY  22           H        GLY  22  -0.590   0.899  -7.961
  147   1HA   GLY  22          1HA       GLY  22  -1.861   0.256 -10.324
  148   2HA   GLY  22          2HA       GLY  22  -1.822   1.844  -9.585
  149    H    TYR  23           H        TYR  23  -3.547   2.492  -8.095
  150    HA   TYR  23           HA       TYR  23  -6.049   1.214  -8.809
  151   1HB   TYR  23          1HB       TYR  23  -4.713   0.421  -6.522
  152   2HB   TYR  23          2HB       TYR  23  -5.513   1.846  -5.890
  153    HD1  TYR  23           HD1      TYR  23  -6.830  -0.577  -8.413
  154    HD2  TYR  23           HD2      TYR  23  -7.117   0.942  -4.423
  155    HE1  TYR  23           HE1      TYR  23  -8.953  -1.927  -8.043
  156    HE2  TYR  23           HE2      TYR  23  -9.238  -0.413  -4.067
  157    HH   TYR  23           HH       TYR  23 -11.109  -1.355  -5.954
  158    HA   PRO  24           HA       PRO  24  -7.290   5.355  -8.586
  159   1HB   PRO  24          1HB       PRO  24 -10.007   5.066  -8.613
  160   2HB   PRO  24          2HB       PRO  24  -9.021   4.986 -10.059
  161   1HG   PRO  24          1HG       PRO  24 -10.315   2.781  -8.575
  162   2HG   PRO  24          2HG       PRO  24  -9.700   2.788 -10.216
  163   1HD   PRO  24          1HD       PRO  24  -8.449   1.610  -7.919
  164   2HD   PRO  24          2HD       PRO  24  -7.781   1.719  -9.535
  165    H    HIS  25           H        HIS  25  -9.914   3.923  -6.751
  166    HA   HIS  25           HA       HIS  25  -9.707   5.937  -4.805
  167   1HB   HIS  25          1HB       HIS  25 -11.671   5.128  -4.071
  168   2HB   HIS  25          2HB       HIS  25 -11.650   4.240  -5.582
  169    HD1  HIS  25           HD1      HIS  25 -12.241   3.695  -2.118
  170    HD2  HIS  25           HD2      HIS  25 -10.214   1.545  -5.097
  171    HE1  HIS  25           HE1      HIS  25 -12.079   1.290  -1.280
  172    HE2  HIS  25           HE2      HIS  25 -10.874   0.006  -3.176
  173    H    VAL  26           H        VAL  26  -7.733   6.084  -3.761
  174    HA   VAL  26           HA       VAL  26  -6.976   3.692  -2.233
  175    HB   VAL  26           HB       VAL  26  -4.619   4.496  -2.497
  176   1HG1  VAL  26          1HG1      VAL  26  -6.265   3.478  -4.806
  177   2HG1  VAL  26          2HG1      VAL  26  -4.515   3.748  -4.990
  178   3HG1  VAL  26          3HG1      VAL  26  -5.115   2.606  -3.764
  179   1HG2  VAL  26          1HG2      VAL  26  -5.876   6.286  -4.603
  180   2HG2  VAL  26          2HG2      VAL  26  -5.005   6.800  -3.138
  181   3HG2  VAL  26          3HG2      VAL  26  -4.132   5.967  -4.447
  182    H    THR  27           H        THR  27  -7.014   4.016  -0.069
  183    HA   THR  27           HA       THR  27  -6.470   6.714   0.921
  184    HB   THR  27           HB       THR  27  -8.567   6.962   1.905
  185    HG1  THR  27           HG1      THR  27  -9.150   5.228   3.150
  186   1HG2  THR  27          1HG2      THR  27  -9.186   4.838  -0.217
  187   2HG2  THR  27          2HG2      THR  27 -10.400   5.868   0.580
  188   3HG2  THR  27          3HG2      THR  27  -9.173   6.598  -0.483
  189    HA   PRO  28           HA       PRO  28  -4.517   4.684   4.169
  190   1HB   PRO  28          1HB       PRO  28  -5.278   5.957   6.464
  191   2HB   PRO  28          2HB       PRO  28  -4.099   6.617   5.348
  192   1HG   PRO  28          1HG       PRO  28  -6.912   7.423   5.760
  193   2HG   PRO  28          2HG       PRO  28  -5.617   8.314   4.985
  194   1HD   PRO  28          1HD       PRO  28  -7.764   6.927   3.684
  195   2HD   PRO  28          2HD       PRO  28  -6.406   7.719   2.909
  196    H    LYS  29           H        LYS  29  -6.892   3.373   3.282
  197    HA   LYS  29           HA       LYS  29  -7.020   1.413   5.245
  198   1HB   LYS  29          1HB       LYS  29  -8.298   3.432   6.332
  199   2HB   LYS  29          2HB       LYS  29  -9.601   2.955   5.262
  200   1HG   LYS  29          1HG       LYS  29  -8.461   0.592   6.540
  201   2HG   LYS  29          2HG       LYS  29  -8.888   1.776   7.759
  202   1HD   LYS  29          1HD       LYS  29 -11.128   1.951   6.241
  203   2HD   LYS  29          2HD       LYS  29 -10.666   0.314   5.822
  204   1HE   LYS  29          1HE       LYS  29 -11.024  -0.498   7.975
  205   2HE   LYS  29          2HE       LYS  29 -10.574   1.012   8.741
  206   1HZ   LYS  29          1HZ       LYS  29 -12.672   1.930   7.861
  207   2HZ   LYS  29          2HZ       LYS  29 -13.096   0.437   7.353
  208   3HZ   LYS  29          3HZ       LYS  29 -12.890   0.729   8.946
  209    H    GLU  30           H        GLU  30  -8.859   3.202   2.701
  210    HA   GLU  30           HA       GLU  30 -10.168   0.902   1.791
  211   1HB   GLU  30          1HB       GLU  30 -10.069   3.724   1.150
  212   2HB   GLU  30          2HB       GLU  30  -9.944   2.806  -0.338
  213   1HG   GLU  30          1HG       GLU  30 -12.262   2.904  -0.117
  214   2HG   GLU  30          2HG       GLU  30 -11.943   1.388   0.701
  215    H    CYS  31           H        CYS  31  -7.073   2.516   0.983
  216    HA   CYS  31           HA       CYS  31  -6.614   0.947  -1.330
  217   1HB   CYS  31          1HB       CYS  31  -5.439   2.894  -1.442
  218   2HB   CYS  31          2HB       CYS  31  -5.093   2.931   0.275
  219    H    ASN  32           H        ASN  32  -6.169   0.617   2.164
  220    HA   ASN  32           HA       ASN  32  -4.382  -1.614   1.788
  221   1HB   ASN  32          1HB       ASN  32  -3.810  -0.136   3.636
  222   2HB   ASN  32          2HB       ASN  32  -5.454  -0.145   4.243
  223   2HD2  ASN  32          2HD2      ASN  32  -2.527  -2.021   3.791
  224   1HD2  ASN  32          1HD2      ASN  32  -2.824  -3.230   4.996
  225    H    ASN  33           H        ASN  33  -7.640  -1.089   1.524
  226    HA   ASN  33           HA       ASN  33  -8.483  -3.329   3.123
  227   1HB   ASN  33          1HB       ASN  33  -9.881  -1.239   2.990
  228   2HB   ASN  33          2HB       ASN  33 -10.063  -1.474   1.262
  229   2HD2  ASN  33          2HD2      ASN  33 -11.720  -2.589   0.549
  230   1HD2  ASN  33          1HD2      ASN  33 -12.745  -3.638   1.470
  231    H    ARG  34           H        ARG  34  -8.105  -2.233  -0.292
  232    HA   ARG  34           HA       ARG  34  -9.380  -4.378  -1.475
  233   1HB   ARG  34          1HB       ARG  34  -8.359  -2.061  -2.409
  234   2HB   ARG  34          2HB       ARG  34  -6.999  -3.088  -2.819
  235   1HG   ARG  34          1HG       ARG  34  -9.892  -3.443  -3.723
  236   2HG   ARG  34          2HG       ARG  34  -8.527  -3.000  -4.729
  237   1HD   ARG  34          1HD       ARG  34  -7.468  -5.269  -3.977
  238   2HD   ARG  34          2HD       ARG  34  -9.069  -5.684  -3.397
  239    HE   ARG  34           HE       ARG  34  -9.635  -4.873  -5.939
  240   1HH1  ARG  34          1HH1      ARG  34  -7.164  -7.047  -4.695
  241   2HH1  ARG  34          2HH1      ARG  34  -7.100  -8.007  -6.136
  242   1HH2  ARG  34          1HH2      ARG  34  -9.552  -6.138  -7.841
  243   2HH2  ARG  34          2HH2      ARG  34  -8.468  -7.486  -7.937
  244    H    GLY  35           H        GLY  35  -6.210  -4.019   0.023
  245   1HA   GLY  35          1HA       GLY  35  -5.499  -6.745  -0.885
  246   2HA   GLY  35          2HA       GLY  35  -5.168  -6.102   0.712
  247    H    CYS  36           H        CYS  36  -3.810  -3.973   0.745
  248    HA   CYS  36           HA       CYS  36  -1.390  -4.516  -0.517
  249   1HB   CYS  36          1HB       CYS  36  -3.126  -3.294  -2.290
  250   2HB   CYS  36          2HB       CYS  36  -2.198  -1.947  -1.660
  251    H    CYS  37           H        CYS  37  -0.598  -1.622  -0.642
  252    HA   CYS  37           HA       CYS  37  -1.028  -0.925   2.171
  253   1HB   CYS  37          1HB       CYS  37   1.513  -1.203   0.639
  254   2HB   CYS  37          2HB       CYS  37   1.398   0.121   1.781
  255    H    PHE  38           H        PHE  38  -1.050   1.411   2.579
  256    HA   PHE  38           HA       PHE  38  -1.467   2.956   0.116
  257   1HB   PHE  38          1HB       PHE  38  -3.549   2.619   1.410
  258   2HB   PHE  38          2HB       PHE  38  -2.732   2.992   2.915
  259    HD1  PHE  38           HD1      PHE  38  -4.022   4.443  -0.219
  260    HD2  PHE  38           HD2      PHE  38  -2.458   5.245   3.643
  261    HE1  PHE  38           HE1      PHE  38  -4.715   6.845  -0.438
  262    HE2  PHE  38           HE2      PHE  38  -3.151   7.648   3.424
  263    HZ   PHE  38           HZ       PHE  38  -4.271   8.419   1.387
  264    H    ASP  39           H        ASP  39  -1.303   5.466   0.691
  265    HA   ASP  39           HA       ASP  39   0.378   6.197   2.775
  266   1HB   ASP  39          1HB       ASP  39   2.217   5.155   1.659
  267   2HB   ASP  39          2HB       ASP  39   1.663   5.667   0.077
  268    H    SER  40           H        SER  40   0.625   8.564   2.774
  269    HA   SER  40           HA       SER  40  -0.497   9.889   0.449
  270   1HB   SER  40          1HB       SER  40  -1.900  11.334   1.880
  271   2HB   SER  40          2HB       SER  40  -2.350   9.650   2.059
  272    HG   SER  40           HG       SER  40  -2.048  11.046   4.079
  273    H    ARG  41           H        ARG  41   2.179   9.423   2.109
  274    HA   ARG  41           HA       ARG  41   2.891  11.831   3.216
  275   1HB   ARG  41          1HB       ARG  41   4.081   9.402   3.024
  276   2HB   ARG  41          2HB       ARG  41   4.977  10.213   1.755
  277   1HG   ARG  41          1HG       ARG  41   5.918  11.801   3.241
  278   2HG   ARG  41          2HG       ARG  41   4.656  11.582   4.438
  279   1HD   ARG  41          1HD       ARG  41   5.521   9.358   5.034
  280   2HD   ARG  41          2HD       ARG  41   6.681   9.408   3.721
  281    HE   ARG  41           HE       ARG  41   7.241  11.700   5.210
  282   1HH1  ARG  41          1HH1      ARG  41   7.075   8.254   5.902
  283   2HH1  ARG  41          2HH1      ARG  41   8.254   8.322   7.169
  284   1HH2  ARG  41          1HH2      ARG  41   8.796  11.790   6.882
  285   2HH2  ARG  41          2HH2      ARG  41   9.239  10.347   7.731
  286    H    ILE  42           H        ILE  42   3.483  10.513  -0.123
  287    HA   ILE  42           HA       ILE  42   3.575  13.261  -1.087
  288    HB   ILE  42           HB       ILE  42   5.550  12.087  -2.573
  289   1HG1  ILE  42          1HG1      ILE  42   7.165  11.155  -0.933
  290   2HG1  ILE  42          2HG1      ILE  42   5.918  11.180   0.298
  291   1HG2  ILE  42          1HG2      ILE  42   5.355  14.394  -1.523
  292   2HG2  ILE  42          2HG2      ILE  42   6.089  13.683  -0.066
  293   3HG2  ILE  42          3HG2      ILE  42   6.986  13.685  -1.603
  294   1HD1  ILE  42          1HD1      ILE  42   5.011   9.876  -2.190
  295   2HD1  ILE  42          2HD1      ILE  42   6.420   9.073  -1.455
  296   3HD1  ILE  42          3HD1      ILE  42   4.928   9.295  -0.510
  297    HA   PRO  43           HA       PRO  43   1.063  11.347  -4.054
  298   1HB   PRO  43          1HB       PRO  43   0.704  13.474  -5.732
  299   2HB   PRO  43          2HB       PRO  43  -0.232  13.238  -4.270
  300   1HG   PRO  43          1HG       PRO  43   1.969  15.146  -4.774
  301   2HG   PRO  43          2HG       PRO  43   0.759  15.176  -3.507
  302   1HD   PRO  43          1HD       PRO  43   3.502  14.381  -3.242
  303   2HD   PRO  43          2HD       PRO  43   2.264  14.301  -2.005
  304    H    GLY  44           H        GLY  44   3.919  13.093  -5.045
  305   1HA   GLY  44          1HA       GLY  44   5.550  12.394  -6.461
  306   2HA   GLY  44          2HA       GLY  44   4.241  12.463  -7.624
  307    H    VAL  45           H        VAL  45   4.815  10.188  -4.852
  308    HA   VAL  45           HA       VAL  45   5.359   8.052  -6.728
  309    HB   VAL  45           HB       VAL  45   6.261   6.937  -4.967
  310   1HG1  VAL  45          1HG1      VAL  45   7.033   9.493  -5.155
  311   2HG1  VAL  45          2HG1      VAL  45   6.446   9.514  -3.474
  312   3HG1  VAL  45          3HG1      VAL  45   7.723   8.372  -3.956
  313   1HG2  VAL  45          1HG2      VAL  45   4.266   8.331  -3.156
  314   2HG2  VAL  45          2HG2      VAL  45   4.275   6.621  -3.651
  315   3HG2  VAL  45          3HG2      VAL  45   5.552   7.244  -2.579
  316    HA   PRO  46           HA       PRO  46   1.451   6.215  -6.485
  317   1HB   PRO  46          1HB       PRO  46   1.912   3.540  -6.173
  318   2HB   PRO  46          2HB       PRO  46   2.080   4.369  -7.708
  319   1HG   PRO  46          1HG       PRO  46   4.195   3.408  -5.879
  320   2HG   PRO  46          2HG       PRO  46   4.322   3.842  -7.572
  321   1HD   PRO  46          1HD       PRO  46   5.171   5.415  -5.329
  322   2HD   PRO  46          2HD       PRO  46   5.191   5.896  -7.014
  323    H    TRP  47           H        TRP  47   0.575   7.300  -4.702
  324    HA   TRP  47           HA       TRP  47   0.930   6.947  -2.137
  325   1HB   TRP  47          1HB       TRP  47  -1.540   7.265  -3.754
  326   2HB   TRP  47          2HB       TRP  47  -1.752   6.838  -2.068
  327    HD1  TRP  47           HD1      TRP  47   1.161   9.163  -3.027
  328    HE1  TRP  47           HE1      TRP  47   0.795  11.601  -2.086
  329    HE3  TRP  47           HE3      TRP  47  -3.604   8.395  -1.428
  330    HZ2  TRP  47           HZ2      TRP  47  -1.398  12.905  -0.807
  331    HZ3  TRP  47           HZ3      TRP  47  -4.787  10.303  -0.343
  332    HH2  TRP  47           HH2      TRP  47  -3.760  12.497  -0.022
  333    H    CYS  48           H        CYS  48  -1.165   4.688  -4.082
  334    HA   CYS  48           HA       CYS  48  -1.017   2.776  -1.923
  335   1HB   CYS  48          1HB       CYS  48  -3.111   3.359  -3.304
  336   2HB   CYS  48          2HB       CYS  48  -2.402   2.373  -4.567
  337    H    PHE  49           H        PHE  49   0.591   1.243  -1.869
  338    HA   PHE  49           HA       PHE  49   1.615   0.264  -4.411
  339   1HB   PHE  49          1HB       PHE  49   3.957   0.490  -3.279
  340   2HB   PHE  49          2HB       PHE  49   3.226   1.987  -3.825
  341    HD1  PHE  49           HD1      PHE  49   3.521  -0.151  -0.787
  342    HD2  PHE  49           HD2      PHE  49   3.019   3.764  -2.345
  343    HE1  PHE  49           HE1      PHE  49   3.733   0.797   1.527
  344    HE2  PHE  49           HE2      PHE  49   3.231   4.712  -0.031
  345    HZ   PHE  49           HZ       PHE  49   3.585   3.217   1.878
  346    H    LYS  50           H        LYS  50   3.110  -1.702  -4.013
  347    HA   LYS  50           HA       LYS  50   1.700  -3.488  -2.321
  348   1HB   LYS  50          1HB       LYS  50   4.340  -3.962  -3.727
  349   2HB   LYS  50          2HB       LYS  50   3.180  -5.163  -3.196
  350   1HG   LYS  50          1HG       LYS  50   1.478  -4.169  -4.777
  351   2HG   LYS  50          2HG       LYS  50   2.697  -3.047  -5.347
  352   1HD   LYS  50          1HD       LYS  50   3.064  -4.685  -6.921
  353   2HD   LYS  50          2HD       LYS  50   4.090  -5.358  -5.670
  354   1HE   LYS  50          1HE       LYS  50   2.510  -7.001  -5.057
  355   2HE   LYS  50          2HE       LYS  50   1.152  -6.077  -5.667
  356   1HZ   LYS  50          1HZ       LYS  50   3.227  -7.218  -7.402
  357   2HZ   LYS  50          2HZ       LYS  50   1.819  -7.971  -7.063
  358   3HZ   LYS  50          3HZ       LYS  50   1.812  -6.551  -7.870
  359    HA   PRO  51           HA       PRO  51   4.106  -3.314   1.259
  360   1HB   PRO  51          1HB       PRO  51   4.281  -5.910   2.094
  361   2HB   PRO  51          2HB       PRO  51   2.852  -4.923   2.327
  362   1HG   PRO  51          1HG       PRO  51   3.301  -7.104   0.383
  363   2HG   PRO  51          2HG       PRO  51   1.786  -6.406   0.918
  364   1HD   PRO  51          1HD       PRO  51   3.113  -5.918  -1.578
  365   2HD   PRO  51          2HD       PRO  51   1.659  -5.134  -0.993
  366    H    LEU  52           H        LEU  52   6.148  -2.789   1.724
  367    HA   LEU  52           HA       LEU  52   8.185  -3.168   0.066
  368   1HB   LEU  52          1HB       LEU  52   8.563  -1.771   1.857
  369   2HB   LEU  52          2HB       LEU  52   8.041  -2.951   3.042
  370    HG   LEU  52           HG       LEU  52  10.593  -3.260   1.447
  371   1HD1  LEU  52          1HD1      LEU  52  10.020  -1.588   3.837
  372   2HD1  LEU  52          2HD1      LEU  52  11.517  -2.551   3.860
  373   3HD1  LEU  52          3HD1      LEU  52  11.229  -1.384   2.547
  374   1HD2  LEU  52          1HD2      LEU  52   9.173  -4.982   3.198
  375   2HD2  LEU  52          2HD2      LEU  52  10.767  -5.230   2.446
  376   3HD2  LEU  52          3HD2      LEU  52  10.648  -4.457   4.045
  377    H    GLN  53           H        GLN  53   9.660  -4.731  -0.555
  378    HA   GLN  53           HA       GLN  53   8.857  -7.362  -0.297
  379   1HB   GLN  53          1HB       GLN  53  11.275  -7.794  -1.192
  380   2HB   GLN  53          2HB       GLN  53  10.155  -6.898  -2.198
  381   1HG   GLN  53          1HG       GLN  53  11.625  -5.144  -0.332
  382   2HG   GLN  53          2HG       GLN  53  12.702  -6.039  -1.386
  383   2HE2  GLN  53          2HE2      GLN  53  11.657  -3.171  -1.164
  384   1HE2  GLN  53          1HE2      GLN  53  11.214  -2.731  -2.780
  385    H    GLU  54           H        GLU  54   8.560  -7.680   2.030
  386    HA   GLU  54           HA       GLU  54  10.350  -7.253   3.969
  387   1HB   GLU  54          1HB       GLU  54   9.107  -8.752   5.274
  388   2HB   GLU  54          2HB       GLU  54   7.968  -8.345   4.006
  389   1HG   GLU  54          1HG       GLU  54   8.865 -10.418   2.733
  390   2HG   GLU  54          2HG       GLU  54   9.673 -10.861   4.224
  391    H    ALA  55           H        ALA  55  12.422  -7.881   4.401
  392    HA   ALA  55           HA       ALA  55  13.264 -10.545   3.664
  393   1HB   ALA  55          1HB       ALA  55  14.977  -9.923   2.178
  394   2HB   ALA  55          2HB       ALA  55  14.911  -8.212   2.667
  395   3HB   ALA  55          3HB       ALA  55  13.609  -8.904   1.670
  396    H    GLU  56           H        GLU  56  14.072 -11.259   5.571
  397    HA   GLU  56           HA       GLU  56  14.637  -9.802   7.724
  398   1HB   GLU  56          1HB       GLU  56  15.734 -12.423   6.707
  399   2HB   GLU  56          2HB       GLU  56  16.405 -11.750   8.180
  400   1HG   GLU  56          1HG       GLU  56  14.657 -12.934   9.125
  401   2HG   GLU  56          2HG       GLU  56  13.800 -11.440   8.800
  402    H    CYS  57           H        CYS  57  16.342  -8.586   8.584
  403    HA   CYS  57           HA       CYS  57  18.665  -8.299   6.822
  404   1HB   CYS  57          1HB       CYS  57  16.797  -6.268   7.802
  405   2HB   CYS  57          2HB       CYS  57  18.471  -5.887   8.154
  406    H    THR  58           H        THR  58  20.270  -9.376   7.949
  407    HA   THR  58           HA       THR  58  21.652  -9.945   9.594
  408    HB   THR  58           HB       THR  58  20.654  -7.274  10.711
  409    HG1  THR  58           HG1      THR  58  21.864  -6.939   8.835
  410   1HG2  THR  58          1HG2      THR  58  22.235  -9.238  12.051
  411   2HG2  THR  58          2HG2      THR  58  23.386  -8.042  11.407
  412   3HG2  THR  58          3HG2      THR  58  22.071  -7.520  12.487
  413    H    PHE  59           H        PHE  59  19.318  -8.353  11.813
  414    HA   PHE  59           HA       PHE  59  18.681 -11.047  12.795
  415   1HB   PHE  59          1HB       PHE  59  20.184  -9.557  14.252
  416   2HB   PHE  59          2HB       PHE  59  18.906  -8.358  14.278
  417    HD1  PHE  59           HD1      PHE  59  19.381 -11.988  15.032
  418    HD2  PHE  59           HD2      PHE  59  17.499  -8.338  16.101
  419    HE1  PHE  59           HE1      PHE  59  18.384 -13.095  17.052
  420    HE2  PHE  59           HE2      PHE  59  16.501  -9.445  18.121
  421    HZ   PHE  59           HZ       PHE  59  16.956 -11.810  18.573

  No H/Q in entry =         421
  Start of MODEL   52
    1    H    GLU   1           H        GLU   1  11.784 -17.318  15.973
    2    HA   GLU   1           HA       GLU   1   9.098 -17.531  16.783
    3   1HB   GLU   1          1HB       GLU   1  10.676 -15.146  17.652
    4   2HB   GLU   1          2HB       GLU   1   9.107 -14.803  16.951
    5   1HG   GLU   1          1HG       GLU   1   9.185 -17.034  18.951
    6   2HG   GLU   1          2HG       GLU   1   9.477 -15.428  19.588
    7    H    GLU   2           H        GLU   2   7.743 -15.773  15.395
    8    HA   GLU   2           HA       GLU   2   9.145 -15.483  12.856
    9   1HB   GLU   2          1HB       GLU   2   6.359 -16.587  13.369
   10   2HB   GLU   2          2HB       GLU   2   6.821 -15.956  11.801
   11   1HG   GLU   2          1HG       GLU   2   8.285 -17.705  11.362
   12   2HG   GLU   2          2HG       GLU   2   8.732 -17.903  13.045
   13    H    TYR   3           H        TYR   3   8.237 -13.744  11.438
   14    HA   TYR   3           HA       TYR   3   7.714 -11.418  12.957
   15   1HB   TYR   3          1HB       TYR   3   7.902 -10.420  10.767
   16   2HB   TYR   3          2HB       TYR   3   8.856 -11.882  10.605
   17    HD1  TYR   3           HD1      TYR   3   7.877 -13.884   9.436
   18    HD2  TYR   3           HD2      TYR   3   5.908 -10.086   9.484
   19    HE1  TYR   3           HE1      TYR   3   6.431 -14.601   7.472
   20    HE2  TYR   3           HE2      TYR   3   4.469 -10.815   7.519
   21    HH   TYR   3           HH       TYR   3   4.005 -12.381   6.115
   22    H    VAL   4           H        VAL   4   5.837  -9.883  12.285
   23    HA   VAL   4           HA       VAL   4   3.442 -10.964  11.333
   24    HB   VAL   4           HB       VAL   4   3.477 -12.283  13.366
   25   1HG1  VAL   4          1HG1      VAL   4   4.873 -10.417  14.589
   26   2HG1  VAL   4          2HG1      VAL   4   3.268  -9.830  15.086
   27   3HG1  VAL   4          3HG1      VAL   4   3.783 -11.480  15.511
   28   1HG2  VAL   4          1HG2      VAL   4   1.339 -11.193  12.424
   29   2HG2  VAL   4          2HG2      VAL   4   1.278 -11.863  14.072
   30   3HG2  VAL   4          3HG2      VAL   4   1.435 -10.106  13.831
   31    H    GLY   5           H        GLY   5   4.794  -8.746  10.591
   32   1HA   GLY   5          1HA       GLY   5   4.957  -6.404  11.074
   33   2HA   GLY   5          2HA       GLY   5   3.467  -6.508  11.991
   34    H    LEU   6           H        LEU   6   1.548  -6.036  10.976
   35    HA   LEU   6           HA       LEU   6   1.674  -5.833   8.049
   36   1HB   LEU   6          1HB       LEU   6  -0.755  -6.469   8.080
   37   2HB   LEU   6          2HB       LEU   6   0.399  -7.749   8.397
   38    HG   LEU   6           HG       LEU   6  -0.558  -6.455  10.848
   39   1HD1  LEU   6          1HD1      LEU   6  -2.510  -7.114   8.795
   40   2HD1  LEU   6          2HD1      LEU   6  -2.756  -8.063  10.281
   41   3HD1  LEU   6          3HD1      LEU   6  -2.721  -6.284  10.356
   42   1HD2  LEU   6          1HD2      LEU   6   0.136  -9.131   9.831
   43   2HD2  LEU   6          2HD2      LEU   6   0.397  -8.398  11.432
   44   3HD2  LEU   6          3HD2      LEU   6  -1.185  -9.104  11.024
   45    H    SER   7           H        SER   7   2.471  -3.615   9.005
   46    HA   SER   7           HA       SER   7   0.643  -1.745   8.380
   47   1HB   SER   7          1HB       SER   7   0.244  -0.795  10.813
   48   2HB   SER   7          2HB       SER   7  -0.818  -2.032  10.170
   49    HG   SER   7           HG       SER   7  -0.123  -3.436  11.641
   50    H    ALA   8           H        ALA   8   2.081  -0.191   7.729
   51    HA   ALA   8           HA       ALA   8   3.637   1.410   7.958
   52   1HB   ALA   8          1HB       ALA   8   4.451   2.022  10.015
   53   2HB   ALA   8          2HB       ALA   8   4.795   0.345  10.500
   54   3HB   ALA   8          3HB       ALA   8   3.129   0.968  10.568
   55    H    ASN   9           H        ASN   9   4.895  -1.652   9.477
   56    HA   ASN   9           HA       ASN   9   7.378  -1.502   8.370
   57   1HB   ASN   9          1HB       ASN   9   5.648  -3.625   9.541
   58   2HB   ASN   9          2HB       ASN   9   6.859  -4.249   8.440
   59   2HD2  ASN   9          2HD2      ASN   9   7.975  -5.250  10.094
   60   1HD2  ASN   9          1HD2      ASN   9   8.963  -4.395  11.230
   61    H    GLN  10           H        GLN  10   4.472  -3.397   7.232
   62    HA   GLN  10           HA       GLN  10   5.672  -4.264   4.885
   63   1HB   GLN  10          1HB       GLN  10   3.236  -4.681   4.176
   64   2HB   GLN  10          2HB       GLN  10   3.766  -5.465   5.651
   65   1HG   GLN  10          1HG       GLN  10   2.652  -3.829   7.042
   66   2HG   GLN  10          2HG       GLN  10   2.393  -2.746   5.689
   67   2HE2  GLN  10          2HE2      GLN  10   1.445  -4.269   3.718
   68   1HE2  GLN  10          1HE2      GLN  10  -0.062  -5.018   4.129
   69    H    CYS  11           H        CYS  11   4.118  -1.229   5.804
   70    HA   CYS  11           HA       CYS  11   4.313  -0.371   3.008
   71   1HB   CYS  11          1HB       CYS  11   2.620   1.083   5.001
   72   2HB   CYS  11          2HB       CYS  11   2.488   1.022   3.254
   73    H    ALA  12           H        ALA  12   6.666  -0.460   4.444
   74    HA   ALA  12           HA       ALA  12   7.027   2.327   5.311
   75   1HB   ALA  12          1HB       ALA  12   9.149   0.867   6.352
   76   2HB   ALA  12          2HB       ALA  12   7.691   1.364   7.245
   77   3HB   ALA  12          3HB       ALA  12   7.775  -0.254   6.507
   78    H    VAL  13           H        VAL  13   7.042   2.012   2.633
   79    HA   VAL  13           HA       VAL  13   9.762   1.389   1.816
   80    HB   VAL  13           HB       VAL  13   7.813   2.414  -0.143
   81   1HG1  VAL  13          1HG1      VAL  13  10.031   0.496   0.036
   82   2HG1  VAL  13          2HG1      VAL  13   8.661  -0.089  -0.939
   83   3HG1  VAL  13          3HG1      VAL  13   9.449   1.454  -1.347
   84   1HG2  VAL  13          1HG2      VAL  13   7.222   0.007   1.570
   85   2HG2  VAL  13          2HG2      VAL  13   6.128   1.292   1.006
   86   3HG2  VAL  13          3HG2      VAL  13   6.705   0.053  -0.133
   87    HA   PRO  14           HA       PRO  14  10.935   5.546   1.695
   88   1HB   PRO  14          1HB       PRO  14  12.960   5.483  -0.139
   89   2HB   PRO  14          2HB       PRO  14  13.163   4.989   1.530
   90   1HG   PRO  14          1HG       PRO  14  12.952   3.303  -0.889
   91   2HG   PRO  14          2HG       PRO  14  13.569   2.877   0.695
   92   1HD   PRO  14          1HD       PRO  14  11.015   2.167  -0.400
   93   2HD   PRO  14          2HD       PRO  14  11.586   1.842   1.224
   94    H    ALA  15           H        ALA  15   9.128   4.197  -0.600
   95    HA   ALA  15           HA       ALA  15   7.699   5.239  -1.987
   96   1HB   ALA  15          1HB       ALA  15   8.709   7.422  -0.636
   97   2HB   ALA  15          2HB       ALA  15   7.458   7.491  -1.901
   98   3HB   ALA  15          3HB       ALA  15   9.163   7.783  -2.319
   99    H    LYS  16           H        LYS  16  11.219   5.339  -2.291
  100    HA   LYS  16           HA       LYS  16  11.063   5.510  -5.178
  101   1HB   LYS  16          1HB       LYS  16  13.492   5.569  -5.087
  102   2HB   LYS  16          2HB       LYS  16  12.807   6.750  -3.990
  103   1HG   LYS  16          1HG       LYS  16  14.318   5.802  -2.525
  104   2HG   LYS  16          2HG       LYS  16  12.993   4.689  -2.250
  105   1HD   LYS  16          1HD       LYS  16  15.028   3.394  -2.638
  106   2HD   LYS  16          2HD       LYS  16  13.944   3.148  -3.992
  107   1HE   LYS  16          1HE       LYS  16  15.482   3.972  -5.444
  108   2HE   LYS  16          2HE       LYS  16  15.595   5.470  -4.542
  109   1HZ   LYS  16          1HZ       LYS  16  16.952   3.821  -2.979
  110   2HZ   LYS  16          2HZ       LYS  16  17.286   3.159  -4.434
  111   3HZ   LYS  16          3HZ       LYS  16  17.643   4.727  -4.148
  112    H    ASP  17           H        ASP  17  10.231   3.176  -3.084
  113    HA   ASP  17           HA       ASP  17  11.330   1.124  -4.835
  114   1HB   ASP  17          1HB       ASP  17  11.766   1.434  -2.028
  115   2HB   ASP  17          2HB       ASP  17  10.644   0.098  -2.191
  116    H    ARG  18           H        ARG  18   8.718   2.776  -4.605
  117    HA   ARG  18           HA       ARG  18   6.797   0.955  -3.624
  118   1HB   ARG  18          1HB       ARG  18   6.263   3.297  -5.505
  119   2HB   ARG  18          2HB       ARG  18   5.166   2.607  -4.325
  120   1HG   ARG  18          1HG       ARG  18   7.807   3.730  -3.367
  121   2HG   ARG  18          2HG       ARG  18   6.523   4.846  -3.790
  122   1HD   ARG  18          1HD       ARG  18   5.200   2.918  -2.233
  123   2HD   ARG  18          2HD       ARG  18   6.757   3.064  -1.443
  124    HE   ARG  18           HE       ARG  18   5.384   5.603  -2.126
  125   1HH1  ARG  18          1HH1      ARG  18   6.191   3.221   0.335
  126   2HH1  ARG  18          2HH1      ARG  18   5.843   4.282   1.659
  127   1HH2  ARG  18          1HH2      ARG  18   4.925   7.004  -0.379
  128   2HH2  ARG  18          2HH2      ARG  18   5.118   6.448   1.250
  129    H    VAL  19           H        VAL  19   5.645  -0.621  -4.757
  130    HA   VAL  19           HA       VAL  19   6.491  -1.094  -7.486
  131    HB   VAL  19           HB       VAL  19   4.589  -2.734  -5.820
  132   1HG1  VAL  19          1HG1      VAL  19   6.007  -3.052  -8.381
  133   2HG1  VAL  19          2HG1      VAL  19   6.166  -4.444  -7.282
  134   3HG1  VAL  19          3HG1      VAL  19   4.552  -3.869  -7.762
  135   1HG2  VAL  19          1HG2      VAL  19   6.635  -2.266  -4.494
  136   2HG2  VAL  19          2HG2      VAL  19   6.476  -3.983  -4.936
  137   3HG2  VAL  19          3HG2      VAL  19   7.619  -2.940  -5.816
  138    H    ASP  20           H        ASP  20   4.134   0.744  -5.915
  139    HA   ASP  20           HA       ASP  20   2.267   1.669  -6.515
  140   1HB   ASP  20          1HB       ASP  20   3.373   2.603  -8.410
  141   2HB   ASP  20          2HB       ASP  20   3.481   1.056  -9.226
  142    H    CYS  21           H        CYS  21   0.484   0.432  -5.853
  143    HA   CYS  21           HA       CYS  21  -0.013  -2.134  -6.927
  144   1HB   CYS  21          1HB       CYS  21  -0.768  -0.742  -4.661
  145   2HB   CYS  21          2HB       CYS  21  -2.263  -0.843  -5.570
  146    H    GLY  22           H        GLY  22  -0.512   1.064  -8.049
  147   1HA   GLY  22          1HA       GLY  22  -1.743   0.363 -10.419
  148   2HA   GLY  22          2HA       GLY  22  -1.718   1.967  -9.715
  149    H    TYR  23           H        TYR  23  -3.397   2.457  -7.978
  150    HA   TYR  23           HA       TYR  23  -5.922   1.260  -8.817
  151   1HB   TYR  23          1HB       TYR  23  -4.581   0.420  -6.543
  152   2HB   TYR  23          2HB       TYR  23  -5.406   1.817  -5.882
  153    HD1  TYR  23           HD1      TYR  23  -6.498  -0.791  -8.355
  154    HD2  TYR  23           HD2      TYR  23  -7.179   1.088  -4.572
  155    HE1  TYR  23           HE1      TYR  23  -8.605  -2.178  -8.038
  156    HE2  TYR  23           HE2      TYR  23  -9.284  -0.305  -4.268
  157    HH   TYR  23           HH       TYR  23 -10.946  -1.436  -5.918
  158    HA   PRO  24           HA       PRO  24  -7.126   5.410  -8.508
  159   1HB   PRO  24          1HB       PRO  24  -9.841   5.135  -8.665
  160   2HB   PRO  24          2HB       PRO  24  -8.793   5.110 -10.069
  161   1HG   PRO  24          1HG       PRO  24 -10.157   2.853  -8.734
  162   2HG   PRO  24          2HG       PRO  24  -9.471   2.923 -10.345
  163   1HD   PRO  24          1HD       PRO  24  -8.325   1.647  -8.046
  164   2HD   PRO  24          2HD       PRO  24  -7.587   1.818  -9.626
  165    H    HIS  25           H        HIS  25  -9.828   3.911  -6.846
  166    HA   HIS  25           HA       HIS  25  -9.738   5.845  -4.826
  167   1HB   HIS  25          1HB       HIS  25 -11.719   4.983  -4.250
  168   2HB   HIS  25          2HB       HIS  25 -11.572   4.048  -5.724
  169    HD1  HIS  25           HD1      HIS  25 -12.148   3.646  -2.183
  170    HD2  HIS  25           HD2      HIS  25 -10.257   1.380  -5.163
  171    HE1  HIS  25           HE1      HIS  25 -11.993   1.265  -1.280
  172    HE2  HIS  25           HE2      HIS  25 -10.872  -0.092  -3.176
  173    H    VAL  26           H        VAL  26  -7.777   6.010  -3.742
  174    HA   VAL  26           HA       VAL  26  -7.034   3.614  -2.216
  175    HB   VAL  26           HB       VAL  26  -4.676   4.411  -2.428
  176   1HG1  VAL  26          1HG1      VAL  26  -6.320   3.333  -4.677
  177   2HG1  VAL  26          2HG1      VAL  26  -4.636   3.789  -5.026
  178   3HG1  VAL  26          3HG1      VAL  26  -4.989   2.582  -3.766
  179   1HG2  VAL  26          1HG2      VAL  26  -5.911   6.275  -4.479
  180   2HG2  VAL  26          2HG2      VAL  26  -4.978   6.715  -3.028
  181   3HG2  VAL  26          3HG2      VAL  26  -4.173   5.901  -4.391
  182    H    THR  27           H        THR  27  -7.050   3.928  -0.045
  183    HA   THR  27           HA       THR  27  -6.586   6.636   0.952
  184    HB   THR  27           HB       THR  27  -8.689   6.818   1.953
  185    HG1  THR  27           HG1      THR  27  -9.395   5.018   3.058
  186   1HG2  THR  27          1HG2      THR  27  -9.329   4.711  -0.178
  187   2HG2  THR  27          2HG2      THR  27 -10.485   5.847   0.557
  188   3HG2  THR  27          3HG2      THR  27  -9.190   6.456  -0.501
  189    HA   PRO  28           HA       PRO  28  -4.561   4.639   4.171
  190   1HB   PRO  28          1HB       PRO  28  -5.248   5.992   6.444
  191   2HB   PRO  28          2HB       PRO  28  -4.081   6.597   5.284
  192   1HG   PRO  28          1HG       PRO  28  -6.870   7.468   5.734
  193   2HG   PRO  28          2HG       PRO  28  -5.577   8.311   4.905
  194   1HD   PRO  28          1HD       PRO  28  -7.778   6.927   3.692
  195   2HD   PRO  28          2HD       PRO  28  -6.423   7.671   2.865
  196    H    LYS  29           H        LYS  29  -6.867   3.259   3.365
  197    HA   LYS  29           HA       LYS  29  -7.030   1.430   5.448
  198   1HB   LYS  29          1HB       LYS  29  -8.362   3.502   6.361
  199   2HB   LYS  29          2HB       LYS  29  -9.629   2.933   5.292
  200   1HG   LYS  29          1HG       LYS  29  -8.689   0.598   6.600
  201   2HG   LYS  29          2HG       LYS  29  -8.732   1.823   7.853
  202   1HD   LYS  29          1HD       LYS  29 -11.134   2.216   6.413
  203   2HD   LYS  29          2HD       LYS  29 -10.962   0.474   6.495
  204   1HE   LYS  29          1HE       LYS  29 -10.279   1.230   9.084
  205   2HE   LYS  29          2HE       LYS  29 -11.497   2.422   8.675
  206   1HZ   LYS  29          1HZ       LYS  29 -11.970  -0.405   8.119
  207   2HZ   LYS  29          2HZ       LYS  29 -12.233   0.197   9.614
  208   3HZ   LYS  29          3HZ       LYS  29 -13.061   0.791   8.338
  209    H    GLU  30           H        GLU  30  -8.860   3.024   2.766
  210    HA   GLU  30           HA       GLU  30 -10.055   0.612   1.965
  211   1HB   GLU  30          1HB       GLU  30 -10.074   3.414   1.166
  212   2HB   GLU  30          2HB       GLU  30  -9.979   2.391  -0.253
  213   1HG   GLU  30          1HG       GLU  30 -12.316   2.614   0.167
  214   2HG   GLU  30          2HG       GLU  30 -11.914   1.016   0.765
  215    H    CYS  31           H        CYS  31  -7.099   2.423   1.010
  216    HA   CYS  31           HA       CYS  31  -6.529   0.780  -1.208
  217   1HB   CYS  31          1HB       CYS  31  -5.495   2.815  -1.361
  218   2HB   CYS  31          2HB       CYS  31  -5.092   2.879   0.344
  219    H    ASN  32           H        ASN  32  -6.037   0.618   2.298
  220    HA   ASN  32           HA       ASN  32  -4.130  -1.521   1.997
  221   1HB   ASN  32          1HB       ASN  32  -3.420  -0.748   4.025
  222   2HB   ASN  32          2HB       ASN  32  -4.696   0.452   4.000
  223   2HD2  ASN  32          2HD2      ASN  32  -6.911  -0.379   4.584
  224   1HD2  ASN  32          1HD2      ASN  32  -7.036  -1.455   5.936
  225    H    ASN  33           H        ASN  33  -7.443  -1.157   1.802
  226    HA   ASN  33           HA       ASN  33  -8.080  -3.478   3.396
  227   1HB   ASN  33          1HB       ASN  33  -9.634  -1.574   3.547
  228   2HB   ASN  33          2HB       ASN  33  -9.794  -1.504   1.803
  229   2HD2  ASN  33          2HD2      ASN  33 -11.982  -1.788   1.803
  230   1HD2  ASN  33          1HD2      ASN  33 -12.770  -3.282   2.188
  231    H    ARG  34           H        ARG  34  -8.055  -2.212   0.012
  232    HA   ARG  34           HA       ARG  34  -9.299  -4.342  -1.188
  233   1HB   ARG  34          1HB       ARG  34  -8.490  -1.997  -2.118
  234   2HB   ARG  34          2HB       ARG  34  -7.013  -2.847  -2.523
  235   1HG   ARG  34          1HG       ARG  34  -9.748  -3.887  -3.372
  236   2HG   ARG  34          2HG       ARG  34  -8.853  -2.738  -4.347
  237   1HD   ARG  34          1HD       ARG  34  -6.962  -4.752  -3.694
  238   2HD   ARG  34          2HD       ARG  34  -8.438  -5.626  -4.051
  239    HE   ARG  34           HE       ARG  34  -7.791  -3.514  -5.995
  240   1HH1  ARG  34          1HH1      ARG  34  -7.422  -6.910  -5.148
  241   2HH1  ARG  34          2HH1      ARG  34  -7.068  -7.408  -6.769
  242   1HH2  ARG  34          1HH2      ARG  34  -7.324  -4.171  -8.134
  243   2HH2  ARG  34          2HH2      ARG  34  -7.012  -5.839  -8.479
  244    H    GLY  35           H        GLY  35  -6.098  -4.022   0.212
  245   1HA   GLY  35          1HA       GLY  35  -5.379  -6.681  -0.864
  246   2HA   GLY  35          2HA       GLY  35  -4.964  -6.087   0.731
  247    H    CYS  36           H        CYS  36  -3.600  -3.990   0.793
  248    HA   CYS  36           HA       CYS  36  -1.260  -4.431  -0.615
  249   1HB   CYS  36          1HB       CYS  36  -3.089  -3.237  -2.297
  250   2HB   CYS  36          2HB       CYS  36  -2.194  -1.863  -1.679
  251    H    CYS  37           H        CYS  37  -0.561  -1.500  -0.740
  252    HA   CYS  37           HA       CYS  37  -0.868  -0.851   2.099
  253   1HB   CYS  37          1HB       CYS  37   1.625  -0.982   0.445
  254   2HB   CYS  37          2HB       CYS  37   1.509   0.210   1.724
  255    H    PHE  38           H        PHE  38  -0.998   1.454   2.533
  256    HA   PHE  38           HA       PHE  38  -1.480   3.031   0.103
  257   1HB   PHE  38          1HB       PHE  38  -3.518   2.607   1.459
  258   2HB   PHE  38          2HB       PHE  38  -2.673   3.027   2.935
  259    HD1  PHE  38           HD1      PHE  38  -4.041   4.410  -0.205
  260    HD2  PHE  38           HD2      PHE  38  -2.520   5.280   3.660
  261    HE1  PHE  38           HE1      PHE  38  -4.826   6.784  -0.430
  262    HE2  PHE  38           HE2      PHE  38  -3.305   7.653   3.434
  263    HZ   PHE  38           HZ       PHE  38  -4.448   8.377   1.392
  264    H    ASP  39           H        ASP  39  -1.370   5.539   0.725
  265    HA   ASP  39           HA       ASP  39   0.275   6.334   2.778
  266   1HB   ASP  39          1HB       ASP  39   2.133   5.209   1.732
  267   2HB   ASP  39          2HB       ASP  39   1.671   5.765   0.136
  268    H    SER  40           H        SER  40   0.420   8.685   2.746
  269    HA   SER  40           HA       SER  40  -0.546   9.932   0.308
  270   1HB   SER  40          1HB       SER  40  -2.079  11.371   1.571
  271   2HB   SER  40          2HB       SER  40  -2.481   9.688   1.847
  272    HG   SER  40           HG       SER  40  -0.621  10.647   3.692
  273    H    ARG  41           H        ARG  41   2.070   9.551   1.985
  274    HA   ARG  41           HA       ARG  41   2.672  12.006   3.115
  275   1HB   ARG  41          1HB       ARG  41   3.895   9.592   3.097
  276   2HB   ARG  41          2HB       ARG  41   4.848  10.348   1.836
  277   1HG   ARG  41          1HG       ARG  41   4.429  12.033   4.263
  278   2HG   ARG  41          2HG       ARG  41   5.372  10.580   4.533
  279   1HD   ARG  41          1HD       ARG  41   6.913  11.215   2.678
  280   2HD   ARG  41          2HD       ARG  41   5.955  12.646   2.354
  281    HE   ARG  41           HE       ARG  41   6.856  13.683   4.272
  282   1HH1  ARG  41          1HH1      ARG  41   7.705  10.269   4.233
  283   2HH1  ARG  41          2HH1      ARG  41   8.849  10.407   5.526
  284   1HH2  ARG  41          1HH2      ARG  41   8.366  13.866   5.978
  285   2HH2  ARG  41          2HH2      ARG  41   9.227  12.467   6.525
  286    H    ILE  42           H        ILE  42   3.320  10.597  -0.164
  287    HA   ILE  42           HA       ILE  42   3.550  13.315  -1.183
  288    HB   ILE  42           HB       ILE  42   5.505  12.033  -2.603
  289   1HG1  ILE  42          1HG1      ILE  42   7.049  11.075  -0.906
  290   2HG1  ILE  42          2HG1      ILE  42   5.773  11.167   0.291
  291   1HG2  ILE  42          1HG2      ILE  42   5.504  14.350  -1.767
  292   2HG2  ILE  42          2HG2      ILE  42   5.877  13.750  -0.133
  293   3HG2  ILE  42          3HG2      ILE  42   7.046  13.517  -1.455
  294   1HD1  ILE  42          1HD1      ILE  42   4.898   9.850  -2.207
  295   2HD1  ILE  42          2HD1      ILE  42   6.240   9.008  -1.395
  296   3HD1  ILE  42          3HD1      ILE  42   4.721   9.315  -0.519
  297    HA   PRO  43           HA       PRO  43   1.015  11.427  -4.149
  298   1HB   PRO  43          1HB       PRO  43   0.738  13.540  -5.860
  299   2HB   PRO  43          2HB       PRO  43  -0.224  13.350  -4.408
  300   1HG   PRO  43          1HG       PRO  43   2.035  15.190  -4.906
  301   2HG   PRO  43          2HG       PRO  43   0.809  15.270  -3.656
  302   1HD   PRO  43          1HD       PRO  43   3.526  14.403  -3.343
  303   2HD   PRO  43          2HD       PRO  43   2.269  14.374  -2.122
  304    H    GLY  44           H        GLY  44   3.894  13.132  -5.174
  305   1HA   GLY  44          1HA       GLY  44   5.526  12.393  -6.567
  306   2HA   GLY  44          2HA       GLY  44   4.215  12.402  -7.729
  307    H    VAL  45           H        VAL  45   4.759  10.248  -4.862
  308    HA   VAL  45           HA       VAL  45   5.362   8.041  -6.637
  309    HB   VAL  45           HB       VAL  45   6.250   7.020  -4.821
  310   1HG1  VAL  45          1HG1      VAL  45   7.200   9.370  -5.074
  311   2HG1  VAL  45          2HG1      VAL  45   6.226   9.813  -3.652
  312   3HG1  VAL  45          3HG1      VAL  45   7.487   8.565  -3.512
  313   1HG2  VAL  45          1HG2      VAL  45   4.061   8.334  -3.202
  314   2HG2  VAL  45          2HG2      VAL  45   4.345   6.602  -3.500
  315   3HG2  VAL  45          3HG2      VAL  45   5.440   7.514  -2.432
  316    HA   PRO  46           HA       PRO  46   1.455   6.199  -6.421
  317   1HB   PRO  46          1HB       PRO  46   1.927   3.535  -6.033
  318   2HB   PRO  46          2HB       PRO  46   2.116   4.326  -7.585
  319   1HG   PRO  46          1HG       PRO  46   4.205   3.426  -5.697
  320   2HG   PRO  46          2HG       PRO  46   4.358   3.817  -7.398
  321   1HD   PRO  46          1HD       PRO  46   5.159   5.453  -5.182
  322   2HD   PRO  46          2HD       PRO  46   5.205   5.891  -6.878
  323    H    TRP  47           H        TRP  47   0.479   7.282  -4.710
  324    HA   TRP  47           HA       TRP  47   0.819   6.993  -2.115
  325   1HB   TRP  47          1HB       TRP  47  -1.620   7.300  -3.784
  326   2HB   TRP  47          2HB       TRP  47  -1.861   6.916  -2.092
  327    HD1  TRP  47           HD1      TRP  47   1.062   9.210  -3.128
  328    HE1  TRP  47           HE1      TRP  47   0.714  11.666  -2.227
  329    HE3  TRP  47           HE3      TRP  47  -3.674   8.477  -1.427
  330    HZ2  TRP  47           HZ2      TRP  47  -1.454  12.996  -0.933
  331    HZ3  TRP  47           HZ3      TRP  47  -4.835  10.406  -0.357
  332    HH2  TRP  47           HH2      TRP  47  -3.802  12.606  -0.098
  333    H    CYS  48           H        CYS  48  -1.136   4.683  -4.136
  334    HA   CYS  48           HA       CYS  48  -1.063   2.808  -1.921
  335   1HB   CYS  48          1HB       CYS  48  -3.168   3.385  -3.261
  336   2HB   CYS  48          2HB       CYS  48  -2.475   2.433  -4.558
  337    H    PHE  49           H        PHE  49   0.760   1.533  -1.847
  338    HA   PHE  49           HA       PHE  49   1.725   0.489  -4.411
  339   1HB   PHE  49          1HB       PHE  49   4.027   0.629  -3.165
  340   2HB   PHE  49          2HB       PHE  49   3.348   2.148  -3.715
  341    HD1  PHE  49           HD1      PHE  49   3.428  -0.055  -0.707
  342    HD2  PHE  49           HD2      PHE  49   3.137   3.902  -2.214
  343    HE1  PHE  49           HE1      PHE  49   3.547   0.845   1.633
  344    HE2  PHE  49           HE2      PHE  49   3.256   4.802   0.126
  345    HZ   PHE  49           HZ       PHE  49   3.459   3.263   2.022
  346    H    LYS  50           H        LYS  50   3.232  -1.493  -4.009
  347    HA   LYS  50           HA       LYS  50   1.727  -3.347  -2.478
  348   1HB   LYS  50          1HB       LYS  50   4.320  -3.553  -4.029
  349   2HB   LYS  50          2HB       LYS  50   3.588  -4.913  -3.203
  350   1HG   LYS  50          1HG       LYS  50   1.409  -3.950  -4.578
  351   2HG   LYS  50          2HG       LYS  50   2.695  -3.489  -5.674
  352   1HD   LYS  50          1HD       LYS  50   3.355  -6.127  -4.897
  353   2HD   LYS  50          2HD       LYS  50   1.615  -6.159  -5.099
  354   1HE   LYS  50          1HE       LYS  50   2.552  -4.658  -7.310
  355   2HE   LYS  50          2HE       LYS  50   3.714  -5.959  -7.142
  356   1HZ   LYS  50          1HZ       LYS  50   1.694  -7.436  -6.964
  357   2HZ   LYS  50          2HZ       LYS  50   0.824  -6.175  -7.531
  358   3HZ   LYS  50          3HZ       LYS  50   2.022  -6.815  -8.438
  359    HA   PRO  51           HA       PRO  51   3.913  -3.282   1.243
  360   1HB   PRO  51          1HB       PRO  51   3.921  -5.895   2.044
  361   2HB   PRO  51          2HB       PRO  51   2.527  -4.846   2.211
  362   1HG   PRO  51          1HG       PRO  51   2.988  -7.018   0.260
  363   2HG   PRO  51          2HG       PRO  51   1.478  -6.258   0.720
  364   1HD   PRO  51          1HD       PRO  51   2.967  -5.798  -1.688
  365   2HD   PRO  51          2HD       PRO  51   1.519  -4.955  -1.174
  366    H    LEU  52           H        LEU  52   5.952  -2.698   1.587
  367    HA   LEU  52           HA       LEU  52   8.032  -3.304   0.072
  368   1HB   LEU  52          1HB       LEU  52   8.176  -1.739   1.864
  369   2HB   LEU  52          2HB       LEU  52   7.944  -2.990   3.070
  370    HG   LEU  52           HG       LEU  52  10.354  -2.803   1.242
  371   1HD1  LEU  52          1HD1      LEU  52   9.941  -0.928   3.006
  372   2HD1  LEU  52          2HD1      LEU  52  10.428  -2.176   4.178
  373   3HD1  LEU  52          3HD1      LEU  52  11.544  -1.691   2.879
  374   1HD2  LEU  52          1HD2      LEU  52   9.411  -4.809   3.170
  375   2HD2  LEU  52          2HD2      LEU  52  10.596  -4.944   1.849
  376   3HD2  LEU  52          3HD2      LEU  52  11.093  -4.284   3.426
  377    H    GLN  53           H        GLN  53   9.432  -4.974  -0.384
  378    HA   GLN  53           HA       GLN  53   8.548  -7.539   0.136
  379   1HB   GLN  53          1HB       GLN  53  10.924  -8.155  -0.711
  380   2HB   GLN  53          2HB       GLN  53   9.873  -7.268  -1.798
  381   1HG   GLN  53          1HG       GLN  53  11.455  -5.493  -0.035
  382   2HG   GLN  53          2HG       GLN  53  12.460  -6.513  -1.045
  383   2HE2  GLN  53          2HE2      GLN  53  11.690  -3.582  -1.003
  384   1HE2  GLN  53          1HE2      GLN  53  11.228  -3.204  -2.629
  385    H    GLU  54           H        GLU  54   8.229  -7.616   2.478
  386    HA   GLU  54           HA       GLU  54  10.147  -7.075   4.328
  387   1HB   GLU  54          1HB       GLU  54   8.830  -8.390   5.865
  388   2HB   GLU  54          2HB       GLU  54   7.716  -7.631   4.745
  389   1HG   GLU  54          1HG       GLU  54   6.877  -9.753   4.518
  390   2HG   GLU  54          2HG       GLU  54   8.202  -9.957   3.389
  391    H    ALA  55           H        ALA  55  12.243  -7.791   4.278
  392    HA   ALA  55           HA       ALA  55  12.613 -10.688   3.976
  393   1HB   ALA  55          1HB       ALA  55  14.458 -10.363   2.530
  394   2HB   ALA  55          2HB       ALA  55  14.563  -8.627   2.910
  395   3HB   ALA  55          3HB       ALA  55  13.218  -9.242   1.919
  396    H    GLU  56           H        GLU  56  13.641 -11.575   5.700
  397    HA   GLU  56           HA       GLU  56  14.282 -10.076   7.897
  398   1HB   GLU  56          1HB       GLU  56  15.353 -12.134   8.755
  399   2HB   GLU  56          2HB       GLU  56  13.828 -12.498   7.970
  400   1HG   GLU  56          1HG       GLU  56  14.893 -13.397   6.033
  401   2HG   GLU  56          2HG       GLU  56  16.420 -12.616   6.392
  402    H    CYS  57           H        CYS  57  16.290  -9.381   8.847
  403    HA   CYS  57           HA       CYS  57  18.336  -8.585   8.872
  404   1HB   CYS  57          1HB       CYS  57  19.058 -10.302   6.499
  405   2HB   CYS  57          2HB       CYS  57  20.128  -9.637   7.717
  406    H    THR  58           H        THR  58  19.412  -6.751   7.944
  407    HA   THR  58           HA       THR  58  17.970  -5.179   6.217
  408    HB   THR  58           HB       THR  58  20.908  -5.295   7.032
  409    HG1  THR  58           HG1      THR  58  18.618  -3.513   7.483
  410   1HG2  THR  58          1HG2      THR  58  20.304  -4.023   4.735
  411   2HG2  THR  58          2HG2      THR  58  19.640  -2.814   5.861
  412   3HG2  THR  58          3HG2      THR  58  21.360  -3.262   5.948
  413    H    PHE  59           H        PHE  59  20.982  -7.010   5.337
  414    HA   PHE  59           HA       PHE  59  20.453  -6.562   2.569
  415   1HB   PHE  59          1HB       PHE  59  22.560  -7.799   2.340
  416   2HB   PHE  59          2HB       PHE  59  22.723  -6.806   3.774
  417    HD1  PHE  59           HD1      PHE  59  22.747  -7.813   5.990
  418    HD2  PHE  59           HD2      PHE  59  22.363 -10.217   2.514
  419    HE1  PHE  59           HE1      PHE  59  23.297  -9.855   7.342
  420    HE2  PHE  59           HE2      PHE  59  22.913 -12.259   3.866
  421    HZ   PHE  59           HZ       PHE  59  23.373 -12.054   6.264

  No H/Q in entry =         421
  Start of MODEL   53
    1    H    GLU   1           H        GLU   1   4.433  -8.960  17.526
    2    HA   GLU   1           HA       GLU   1   5.853 -10.680  18.920
    3   1HB   GLU   1          1HB       GLU   1   5.389 -10.374  21.316
    4   2HB   GLU   1          2HB       GLU   1   6.256  -8.988  20.685
    5   1HG   GLU   1          1HG       GLU   1   4.452  -7.559  20.935
    6   2HG   GLU   1          2HG       GLU   1   3.275  -8.798  20.545
    7    H    GLU   2           H        GLU   2   3.789 -10.710  17.064
    8    HA   GLU   2           HA       GLU   2   2.187 -12.684  17.956
    9   1HB   GLU   2          1HB       GLU   2   1.303 -10.251  19.114
   10   2HB   GLU   2          2HB       GLU   2   0.159 -10.587  17.830
   11   1HG   GLU   2          1HG       GLU   2   0.906 -12.955  19.484
   12   2HG   GLU   2          2HG       GLU   2   0.042 -11.701  20.351
   13    H    TYR   3           H        TYR   3   1.544  -9.558  16.195
   14    HA   TYR   3           HA       TYR   3   1.951 -10.627  13.657
   15   1HB   TYR   3          1HB       TYR   3  -0.261 -11.769  14.708
   16   2HB   TYR   3          2HB       TYR   3  -1.002 -10.223  14.348
   17    HD1  TYR   3           HD1      TYR   3   0.537 -13.239  12.879
   18    HD2  TYR   3           HD2      TYR   3  -1.493  -9.562  12.068
   19    HE1  TYR   3           HE1      TYR   3   0.120 -13.989  10.486
   20    HE2  TYR   3           HE2      TYR   3  -1.904 -10.324   9.677
   21    HH   TYR   3           HH       TYR   3  -2.063 -12.931   8.623
   22    H    VAL   4           H        VAL   4   2.553  -8.816  12.587
   23    HA   VAL   4           HA       VAL   4   0.906  -6.425  13.006
   24    HB   VAL   4           HB       VAL   4   3.902  -6.718  13.090
   25   1HG1  VAL   4          1HG1      VAL   4   2.297  -4.199  12.557
   26   2HG1  VAL   4          2HG1      VAL   4   4.001  -4.211  13.072
   27   3HG1  VAL   4          3HG1      VAL   4   3.536  -4.937  11.514
   28   1HG2  VAL   4          1HG2      VAL   4   1.747  -5.833  14.963
   29   2HG2  VAL   4          2HG2      VAL   4   3.212  -6.796  15.272
   30   3HG2  VAL   4          3HG2      VAL   4   3.332  -5.031  15.072
   31    H    GLY   5           H        GLY   5   1.035  -4.880  11.154
   32   1HA   GLY   5          1HA       GLY   5   0.649  -6.207   8.707
   33   2HA   GLY   5          2HA       GLY   5   2.263  -5.526   8.721
   34    H    LEU   6           H        LEU   6  -0.585  -4.167  10.452
   35    HA   LEU   6           HA       LEU   6  -0.770  -2.065   8.443
   36   1HB   LEU   6          1HB       LEU   6  -2.788  -1.448   9.921
   37   2HB   LEU   6          2HB       LEU   6  -2.880  -2.834   8.853
   38    HG   LEU   6           HG       LEU   6  -1.989  -3.356  11.647
   39   1HD1  LEU   6          1HD1      LEU   6  -4.828  -2.574  10.944
   40   2HD1  LEU   6          2HD1      LEU   6  -4.360  -3.440  12.427
   41   3HD1  LEU   6          3HD1      LEU   6  -3.744  -1.798  12.123
   42   1HD2  LEU   6          1HD2      LEU   6  -2.856  -4.859   9.414
   43   2HD2  LEU   6          2HD2      LEU   6  -2.400  -5.445  11.032
   44   3HD2  LEU   6          3HD2      LEU   6  -4.098  -5.042  10.676
   45    H    SER   7           H        SER   7   1.656  -1.939   9.698
   46    HA   SER   7           HA       SER   7   1.219   0.240  11.589
   47   1HB   SER   7          1HB       SER   7   3.161  -0.419  12.820
   48   2HB   SER   7          2HB       SER   7   2.250  -1.892  12.549
   49    HG   SER   7           HG       SER   7   3.800  -2.673  11.253
   50    H    ALA   8           H        ALA   8   3.621  -1.196   9.258
   51    HA   ALA   8           HA       ALA   8   3.813   0.819   7.505
   52   1HB   ALA   8          1HB       ALA   8   4.902   1.655  10.087
   53   2HB   ALA   8          2HB       ALA   8   6.122   1.744   8.794
   54   3HB   ALA   8          3HB       ALA   8   4.580   2.618   8.625
   55    H    ASN   9           H        ASN   9   5.451  -1.543   9.585
   56    HA   ASN   9           HA       ASN   9   7.791  -1.956   8.453
   57   1HB   ASN   9          1HB       ASN   9   6.533  -3.383  10.224
   58   2HB   ASN   9          2HB       ASN   9   5.845  -4.275   8.882
   59   2HD2  ASN   9          2HD2      ASN   9   7.385  -5.486  10.802
   60   1HD2  ASN   9          1HD2      ASN   9   8.885  -6.032  10.131
   61    H    GLN  10           H        GLN  10   4.594  -3.150   7.197
   62    HA   GLN  10           HA       GLN  10   5.796  -4.286   4.893
   63   1HB   GLN  10          1HB       GLN  10   2.854  -3.696   4.973
   64   2HB   GLN  10          2HB       GLN  10   3.685  -5.140   4.429
   65   1HG   GLN  10          1HG       GLN  10   4.364  -5.377   6.990
   66   2HG   GLN  10          2HG       GLN  10   3.009  -4.299   7.260
   67   2HE2  GLN  10          2HE2      GLN  10   0.986  -4.900   5.968
   68   1HE2  GLN  10          1HE2      GLN  10   0.510  -6.565   5.997
   69    H    CYS  11           H        CYS  11   4.164  -1.223   5.761
   70    HA   CYS  11           HA       CYS  11   4.540  -0.343   2.994
   71   1HB   CYS  11          1HB       CYS  11   2.929   1.345   4.791
   72   2HB   CYS  11          2HB       CYS  11   2.671   0.901   3.116
   73    H    ALA  12           H        ALA  12   6.847  -0.538   4.529
   74    HA   ALA  12           HA       ALA  12   7.281   2.203   5.495
   75   1HB   ALA  12          1HB       ALA  12   9.360   0.970   6.535
   76   2HB   ALA  12          2HB       ALA  12   7.760   0.797   7.296
   77   3HB   ALA  12          3HB       ALA  12   8.393  -0.497   6.251
   78    H    VAL  13           H        VAL  13   7.168   1.936   2.750
   79    HA   VAL  13           HA       VAL  13   9.877   1.472   1.822
   80    HB   VAL  13           HB       VAL  13   7.823   2.518  -0.016
   81   1HG1  VAL  13          1HG1      VAL  13  10.112   0.674  -0.011
   82   2HG1  VAL  13          2HG1      VAL  13   8.729   0.096  -0.972
   83   3HG1  VAL  13          3HG1      VAL  13   9.453   1.685  -1.320
   84   1HG2  VAL  13          1HG2      VAL  13   7.397  -0.010   1.573
   85   2HG2  VAL  13          2HG2      VAL  13   6.236   1.276   1.166
   86   3HG2  VAL  13          3HG2      VAL  13   6.783   0.142  -0.091
   87    HA   PRO  14           HA       PRO  14  10.905   5.671   1.897
   88   1HB   PRO  14          1HB       PRO  14  12.952   5.735   0.088
   89   2HB   PRO  14          2HB       PRO  14  13.152   5.194   1.743
   90   1HG   PRO  14          1HG       PRO  14  13.027   3.581  -0.730
   91   2HG   PRO  14          2HG       PRO  14  13.639   3.126   0.847
   92   1HD   PRO  14          1HD       PRO  14  11.124   2.365  -0.302
   93   2HD   PRO  14          2HD       PRO  14  11.687   2.007   1.318
   94    H    ALA  15           H        ALA  15   9.253   4.297  -0.540
   95    HA   ALA  15           HA       ALA  15   7.764   5.371  -1.867
   96   1HB   ALA  15          1HB       ALA  15   9.352   7.915  -1.986
   97   2HB   ALA  15          2HB       ALA  15   7.589   7.671  -1.963
   98   3HB   ALA  15          3HB       ALA  15   8.528   7.511  -0.460
   99    H    LYS  16           H        LYS  16  11.261   5.346  -2.142
  100    HA   LYS  16           HA       LYS  16  11.124   5.601  -5.035
  101   1HB   LYS  16          1HB       LYS  16  13.568   5.625  -4.922
  102   2HB   LYS  16          2HB       LYS  16  12.866   6.840  -3.873
  103   1HG   LYS  16          1HG       LYS  16  14.408   5.906  -2.403
  104   2HG   LYS  16          2HG       LYS  16  13.014   4.910  -2.035
  105   1HD   LYS  16          1HD       LYS  16  15.019   3.501  -2.365
  106   2HD   LYS  16          2HD       LYS  16  13.819   3.154  -3.594
  107   1HE   LYS  16          1HE       LYS  16  15.211   3.815  -5.271
  108   2HE   LYS  16          2HE       LYS  16  15.582   5.326  -4.466
  109   1HZ   LYS  16          1HZ       LYS  16  16.761   2.966  -3.312
  110   2HZ   LYS  16          2HZ       LYS  16  17.333   3.400  -4.779
  111   3HZ   LYS  16          3HZ       LYS  16  17.403   4.452  -3.532
  112    H    ASP  17           H        ASP  17  10.179   3.267  -3.062
  113    HA   ASP  17           HA       ASP  17  11.337   1.222  -4.778
  114   1HB   ASP  17          1HB       ASP  17  11.672   1.497  -1.939
  115   2HB   ASP  17          2HB       ASP  17  10.597   0.136  -2.186
  116    H    ARG  18           H        ARG  18   8.712   2.920  -4.452
  117    HA   ARG  18           HA       ARG  18   6.781   1.047  -3.606
  118   1HB   ARG  18          1HB       ARG  18   6.311   3.530  -5.322
  119   2HB   ARG  18          2HB       ARG  18   5.152   2.743  -4.270
  120   1HG   ARG  18          1HG       ARG  18   7.738   4.052  -3.300
  121   2HG   ARG  18          2HG       ARG  18   6.170   4.835  -3.279
  122   1HD   ARG  18          1HD       ARG  18   5.377   2.725  -1.917
  123   2HD   ARG  18          2HD       ARG  18   7.086   2.426  -1.667
  124    HE   ARG  18           HE       ARG  18   7.066   4.129  -0.083
  125   1HH1  ARG  18          1HH1      ARG  18   4.509   4.762  -2.417
  126   2HH1  ARG  18          2HH1      ARG  18   3.942   6.182  -1.602
  127   1HH2  ARG  18          1HH2      ARG  18   6.318   6.002   0.992
  128   2HH2  ARG  18          2HH2      ARG  18   4.978   6.892   0.350
  129    H    VAL  19           H        VAL  19   5.974  -0.647  -4.808
  130    HA   VAL  19           HA       VAL  19   6.657  -0.784  -7.607
  131    HB   VAL  19           HB       VAL  19   4.980  -2.776  -6.122
  132   1HG1  VAL  19          1HG1      VAL  19   6.463  -2.657  -8.615
  133   2HG1  VAL  19          2HG1      VAL  19   7.010  -4.019  -7.608
  134   3HG1  VAL  19          3HG1      VAL  19   5.291  -3.869  -8.045
  135   1HG2  VAL  19          1HG2      VAL  19   7.811  -2.037  -5.546
  136   2HG2  VAL  19          2HG2      VAL  19   6.558  -2.712  -4.476
  137   3HG2  VAL  19          3HG2      VAL  19   7.418  -3.771  -5.620
  138    H    ASP  20           H        ASP  20   4.172   0.587  -5.737
  139    HA   ASP  20           HA       ASP  20   2.223   1.410  -6.207
  140   1HB   ASP  20          1HB       ASP  20   3.084   2.514  -8.134
  141   2HB   ASP  20          2HB       ASP  20   3.289   1.014  -9.017
  142    H    CYS  21           H        CYS  21   0.337   0.263  -5.758
  143    HA   CYS  21           HA       CYS  21   0.089  -2.410  -6.781
  144   1HB   CYS  21          1HB       CYS  21  -0.558  -1.302  -4.408
  145   2HB   CYS  21          2HB       CYS  21  -2.110  -1.180  -5.213
  146    H    GLY  22           H        GLY  22  -0.916   0.845  -7.552
  147   1HA   GLY  22          1HA       GLY  22  -2.200   0.050  -9.945
  148   2HA   GLY  22          2HA       GLY  22  -2.137   1.661  -9.258
  149    H    TYR  23           H        TYR  23  -3.808   2.393  -7.809
  150    HA   TYR  23           HA       TYR  23  -6.257   0.820  -8.082
  151   1HB   TYR  23          1HB       TYR  23  -4.715   1.735  -5.634
  152   2HB   TYR  23          2HB       TYR  23  -6.458   1.892  -5.545
  153    HD1  TYR  23           HD1      TYR  23  -7.759  -0.339  -6.386
  154    HD2  TYR  23           HD2      TYR  23  -3.789  -0.216  -4.796
  155    HE1  TYR  23           HE1      TYR  23  -7.939  -2.788  -5.728
  156    HE2  TYR  23           HE2      TYR  23  -3.982  -2.665  -4.143
  157    HH   TYR  23           HH       TYR  23  -7.004  -4.446  -4.699
  158    HA   PRO  24           HA       PRO  24  -7.890   4.741  -8.918
  159   1HB   PRO  24          1HB       PRO  24 -10.562   4.244  -8.632
  160   2HB   PRO  24          2HB       PRO  24  -9.660   3.832 -10.077
  161   1HG   PRO  24          1HG       PRO  24 -10.638   2.049  -7.931
  162   2HG   PRO  24          2HG       PRO  24 -10.125   1.634  -9.555
  163   1HD   PRO  24          1HD       PRO  24  -8.630   1.265  -7.135
  164   2HD   PRO  24          2HD       PRO  24  -8.073   0.958  -8.768
  165    H    HIS  25           H        HIS  25 -10.024   3.512  -6.388
  166    HA   HIS  25           HA       HIS  25  -9.696   6.073  -5.073
  167   1HB   HIS  25          1HB       HIS  25 -11.638   5.519  -3.826
  168   2HB   HIS  25          2HB       HIS  25 -11.951   5.084  -5.495
  169    HD1  HIS  25           HD1      HIS  25 -13.559   3.798  -3.170
  170    HD2  HIS  25           HD2      HIS  25 -10.140   2.098  -4.905
  171    HE1  HIS  25           HE1      HIS  25 -13.689   1.293  -2.700
  172    HE2  HIS  25           HE2      HIS  25 -11.590   0.295  -3.837
  173    H    VAL  26           H        VAL  26  -7.517   5.867  -4.311
  174    HA   VAL  26           HA       VAL  26  -7.062   3.682  -2.428
  175    HB   VAL  26           HB       VAL  26  -4.710   4.461  -2.544
  176   1HG1  VAL  26          1HG1      VAL  26  -6.051   3.777  -5.182
  177   2HG1  VAL  26          2HG1      VAL  26  -4.301   3.673  -4.870
  178   3HG1  VAL  26          3HG1      VAL  26  -5.430   2.635  -3.966
  179   1HG2  VAL  26          1HG2      VAL  26  -5.723   6.825  -3.469
  180   2HG2  VAL  26          2HG2      VAL  26  -4.026   6.313  -3.637
  181   3HG2  VAL  26          3HG2      VAL  26  -5.167   6.067  -4.981
  182    H    THR  27           H        THR  27  -7.092   4.000  -0.251
  183    HA   THR  27           HA       THR  27  -6.742   6.721   0.748
  184    HB   THR  27           HB       THR  27  -8.866   6.801   1.791
  185    HG1  THR  27           HG1      THR  27 -10.043   4.644   1.946
  186   1HG2  THR  27          1HG2      THR  27  -9.279   5.073  -0.705
  187   2HG2  THR  27          2HG2      THR  27 -10.598   5.859   0.195
  188   3HG2  THR  27          3HG2      THR  27  -9.367   6.849  -0.625
  189    HA   PRO  28           HA       PRO  28  -4.761   4.764   4.015
  190   1HB   PRO  28          1HB       PRO  28  -5.455   6.193   6.239
  191   2HB   PRO  28          2HB       PRO  28  -4.264   6.745   5.078
  192   1HG   PRO  28          1HG       PRO  28  -7.044   7.673   5.465
  193   2HG   PRO  28          2HG       PRO  28  -5.726   8.472   4.630
  194   1HD   PRO  28          1HD       PRO  28  -7.933   7.089   3.428
  195   2HD   PRO  28          2HD       PRO  28  -6.556   7.787   2.598
  196    H    LYS  29           H        LYS  29  -7.120   3.431   3.219
  197    HA   LYS  29           HA       LYS  29  -7.324   1.642   5.335
  198   1HB   LYS  29          1HB       LYS  29  -8.607   3.773   6.198
  199   2HB   LYS  29          2HB       LYS  29  -9.890   3.193   5.155
  200   1HG   LYS  29          1HG       LYS  29  -8.591   1.144   6.921
  201   2HG   LYS  29          2HG       LYS  29  -9.565   2.355   7.730
  202   1HD   LYS  29          1HD       LYS  29 -11.544   1.748   6.517
  203   2HD   LYS  29          2HD       LYS  29 -10.635   0.870   5.303
  204   1HE   LYS  29          1HE       LYS  29 -11.441  -0.896   6.615
  205   2HE   LYS  29          2HE       LYS  29  -9.864  -0.643   7.335
  206   1HZ   LYS  29          1HZ       LYS  29 -10.918   0.752   8.991
  207   2HZ   LYS  29          2HZ       LYS  29 -12.387   0.495   8.325
  208   3HZ   LYS  29          3HZ       LYS  29 -11.567  -0.747   8.999
  209    H    GLU  30           H        GLU  30  -8.881   3.223   2.510
  210    HA   GLU  30           HA       GLU  30 -10.212   0.822   1.783
  211   1HB   GLU  30          1HB       GLU  30 -11.148   3.047   1.240
  212   2HB   GLU  30          2HB       GLU  30  -9.752   3.417   0.248
  213   1HG   GLU  30          1HG       GLU  30 -10.691   2.371  -1.529
  214   2HG   GLU  30          2HG       GLU  30 -10.796   0.873  -0.626
  215    H    CYS  31           H        CYS  31  -7.180   2.523   0.928
  216    HA   CYS  31           HA       CYS  31  -6.628   0.859  -1.299
  217   1HB   CYS  31          1HB       CYS  31  -5.564   2.877  -1.478
  218   2HB   CYS  31          2HB       CYS  31  -5.183   2.968   0.230
  219    H    ASN  32           H        ASN  32  -6.144   0.774   2.217
  220    HA   ASN  32           HA       ASN  32  -4.243  -1.365   1.998
  221   1HB   ASN  32          1HB       ASN  32  -5.594  -0.409   4.560
  222   2HB   ASN  32          2HB       ASN  32  -4.021  -1.163   4.395
  223   2HD2  ASN  32          2HD2      ASN  32  -5.916   1.731   3.834
  224   1HD2  ASN  32          1HD2      ASN  32  -4.608   2.858   3.699
  225    H    ASN  33           H        ASN  33  -7.575  -1.017   1.722
  226    HA   ASN  33           HA       ASN  33  -8.173  -3.445   3.185
  227   1HB   ASN  33          1HB       ASN  33  -9.722  -1.575   3.571
  228   2HB   ASN  33          2HB       ASN  33  -9.940  -1.333   1.849
  229   2HD2  ASN  33          2HD2      ASN  33 -12.129  -1.617   1.903
  230   1HD2  ASN  33          1HD2      ASN  33 -12.905  -3.144   2.160
  231    H    ARG  34           H        ARG  34  -8.250  -1.879  -0.068
  232    HA   ARG  34           HA       ARG  34  -9.573  -3.816  -1.445
  233   1HB   ARG  34          1HB       ARG  34  -8.384  -1.441  -2.095
  234   2HB   ARG  34          2HB       ARG  34  -7.212  -2.537  -2.799
  235   1HG   ARG  34          1HG       ARG  34  -9.046  -1.852  -4.397
  236   2HG   ARG  34          2HG       ARG  34  -8.899  -3.587  -4.199
  237   1HD   ARG  34          1HD       ARG  34 -10.749  -2.313  -2.248
  238   2HD   ARG  34          2HD       ARG  34 -11.259  -2.147  -3.917
  239    HE   ARG  34           HE       ARG  34 -10.418  -4.861  -3.421
  240   1HH1  ARG  34          1HH1      ARG  34 -13.063  -2.633  -2.771
  241   2HH1  ARG  34          2HH1      ARG  34 -14.250  -3.885  -2.621
  242   1HH2  ARG  34          1HH2      ARG  34 -11.985  -6.513  -3.223
  243   2HH2  ARG  34          2HH2      ARG  34 -13.633  -6.107  -2.880
  244    H    GLY  35           H        GLY  35  -6.302  -3.789  -0.115
  245   1HA   GLY  35          1HA       GLY  35  -5.758  -6.377  -1.445
  246   2HA   GLY  35          2HA       GLY  35  -5.394  -6.044   0.236
  247    H    CYS  36           H        CYS  36  -3.906  -4.078   0.661
  248    HA   CYS  36           HA       CYS  36  -1.489  -4.473  -0.486
  249   1HB   CYS  36          1HB       CYS  36  -3.112  -3.163  -2.373
  250   2HB   CYS  36          2HB       CYS  36  -2.050  -1.925  -1.732
  251    H    CYS  37           H        CYS  37  -0.563  -1.671  -0.537
  252    HA   CYS  37           HA       CYS  37  -1.252  -0.918   2.212
  253   1HB   CYS  37          1HB       CYS  37   1.380  -1.208   0.860
  254   2HB   CYS  37          2HB       CYS  37   1.193   0.156   1.944
  255    H    PHE  38           H        PHE  38  -1.203   1.449   2.615
  256    HA   PHE  38           HA       PHE  38  -1.559   2.962   0.123
  257   1HB   PHE  38          1HB       PHE  38  -3.670   2.643   1.389
  258   2HB   PHE  38          2HB       PHE  38  -2.882   3.070   2.895
  259    HD1  PHE  38           HD1      PHE  38  -4.081   4.416  -0.327
  260    HD2  PHE  38           HD2      PHE  38  -2.659   5.340   3.563
  261    HE1  PHE  38           HE1      PHE  38  -4.772   6.808  -0.643
  262    HE2  PHE  38           HE2      PHE  38  -3.350   7.732   3.247
  263    HZ   PHE  38           HZ       PHE  38  -4.398   8.438   1.148
  264    H    ASP  39           H        ASP  39  -1.388   5.479   0.671
  265    HA   ASP  39           HA       ASP  39   0.214   6.253   2.784
  266   1HB   ASP  39          1HB       ASP  39   2.074   5.100   1.790
  267   2HB   ASP  39          2HB       ASP  39   1.641   5.624   0.175
  268    H    SER  40           H        SER  40   0.431   8.604   2.738
  269    HA   SER  40           HA       SER  40  -0.480   9.860   0.284
  270   1HB   SER  40          1HB       SER  40  -1.975  11.358   1.542
  271   2HB   SER  40          2HB       SER  40  -2.443   9.686   1.782
  272    HG   SER  40           HG       SER  40  -1.780   9.734   3.873
  273    H    ARG  41           H        ARG  41   2.099   9.422   2.024
  274    HA   ARG  41           HA       ARG  41   2.774  11.822   3.176
  275   1HB   ARG  41          1HB       ARG  41   3.968   9.387   2.992
  276   2HB   ARG  41          2HB       ARG  41   4.917  10.225   1.781
  277   1HG   ARG  41          1HG       ARG  41   5.989  11.536   3.334
  278   2HG   ARG  41          2HG       ARG  41   4.536  11.785   4.281
  279   1HD   ARG  41          1HD       ARG  41   4.932   9.951   5.635
  280   2HD   ARG  41          2HD       ARG  41   5.607   8.994   4.331
  281    HE   ARG  41           HE       ARG  41   7.748   9.846   4.817
  282   1HH1  ARG  41          1HH1      ARG  41   5.304  11.704   6.536
  283   2HH1  ARG  41          2HH1      ARG  41   6.454  12.556   7.512
  284   1HH2  ARG  41          1HH2      ARG  41   9.266  10.969   6.104
  285   2HH2  ARG  41          2HH2      ARG  41   8.723  12.135   7.264
  286    H    ILE  42           H        ILE  42   3.340  10.547  -0.174
  287    HA   ILE  42           HA       ILE  42   3.496  13.287  -1.113
  288    HB   ILE  42           HB       ILE  42   5.545  12.182  -2.529
  289   1HG1  ILE  42          1HG1      ILE  42   7.110  11.209  -0.880
  290   2HG1  ILE  42          2HG1      ILE  42   5.841  11.211   0.329
  291   1HG2  ILE  42          1HG2      ILE  42   5.194  14.441  -1.262
  292   2HG2  ILE  42          2HG2      ILE  42   6.135  13.646   0.022
  293   3HG2  ILE  42          3HG2      ILE  42   6.838  13.849  -1.601
  294   1HD1  ILE  42          1HD1      ILE  42   5.047   9.938  -2.235
  295   2HD1  ILE  42          2HD1      ILE  42   6.371   9.111  -1.380
  296   3HD1  ILE  42          3HD1      ILE  42   4.812   9.374  -0.563
  297    HA   PRO  43           HA       PRO  43   1.156  11.367  -4.208
  298   1HB   PRO  43          1HB       PRO  43   0.938  13.460  -5.952
  299   2HB   PRO  43          2HB       PRO  43  -0.085  13.277  -4.541
  300   1HG   PRO  43          1HG       PRO  43   2.179  15.131  -4.961
  301   2HG   PRO  43          2HG       PRO  43   0.900  15.214  -3.766
  302   1HD   PRO  43          1HD       PRO  43   3.606  14.373  -3.326
  303   2HD   PRO  43          2HD       PRO  43   2.298  14.346  -2.161
  304    H    GLY  44           H        GLY  44   4.078  13.065  -5.104
  305   1HA   GLY  44          1HA       GLY  44   5.780  12.289  -6.397
  306   2HA   GLY  44          2HA       GLY  44   4.540  12.360  -7.632
  307    H    VAL  45           H        VAL  45   4.900  10.133  -4.788
  308    HA   VAL  45           HA       VAL  45   5.476   7.946  -6.604
  309    HB   VAL  45           HB       VAL  45   6.294   6.838  -4.790
  310   1HG1  VAL  45          1HG1      VAL  45   7.148   9.376  -5.051
  311   2HG1  VAL  45          2HG1      VAL  45   6.579   9.438  -3.366
  312   3HG1  VAL  45          3HG1      VAL  45   7.812   8.248  -3.845
  313   1HG2  VAL  45          1HG2      VAL  45   4.300   8.363  -3.089
  314   2HG2  VAL  45          2HG2      VAL  45   4.312   6.625  -3.474
  315   3HG2  VAL  45          3HG2      VAL  45   5.567   7.310  -2.414
  316    HA   PRO  46           HA       PRO  46   1.515   6.221  -6.432
  317   1HB   PRO  46          1HB       PRO  46   1.918   3.533  -6.151
  318   2HB   PRO  46          2HB       PRO  46   2.116   4.377  -7.674
  319   1HG   PRO  46          1HG       PRO  46   4.195   3.350  -5.841
  320   2HG   PRO  46          2HG       PRO  46   4.345   3.802  -7.527
  321   1HD   PRO  46          1HD       PRO  46   5.208   5.329  -5.258
  322   2HD   PRO  46          2HD       PRO  46   5.252   5.830  -6.937
  323    H    TRP  47           H        TRP  47   0.633   7.292  -4.649
  324    HA   TRP  47           HA       TRP  47   0.952   6.929  -2.089
  325   1HB   TRP  47          1HB       TRP  47  -1.530   7.196  -3.712
  326   2HB   TRP  47          2HB       TRP  47  -1.710   6.836  -2.006
  327    HD1  TRP  47           HD1      TRP  47   1.188   9.124  -3.065
  328    HE1  TRP  47           HE1      TRP  47   0.816  11.600  -2.232
  329    HE3  TRP  47           HE3      TRP  47  -3.585   8.424  -1.458
  330    HZ2  TRP  47           HZ2      TRP  47  -1.384  12.958  -1.022
  331    HZ3  TRP  47           HZ3      TRP  47  -4.774  10.376  -0.463
  332    HH2  TRP  47           HH2      TRP  47  -3.749  12.583  -0.233
  333    H    CYS  48           H        CYS  48  -1.066   4.648  -4.087
  334    HA   CYS  48           HA       CYS  48  -0.948   2.736  -1.919
  335   1HB   CYS  48          1HB       CYS  48  -3.014   3.331  -3.384
  336   2HB   CYS  48          2HB       CYS  48  -2.284   2.266  -4.569
  337    H    PHE  49           H        PHE  49   0.720   1.273  -1.840
  338    HA   PHE  49           HA       PHE  49   1.768   0.291  -4.378
  339   1HB   PHE  49          1HB       PHE  49   4.091   0.537  -3.213
  340   2HB   PHE  49          2HB       PHE  49   3.352   2.029  -3.760
  341    HD1  PHE  49           HD1      PHE  49   3.683  -0.119  -0.737
  342    HD2  PHE  49           HD2      PHE  49   3.051   3.789  -2.267
  343    HE1  PHE  49           HE1      PHE  49   3.854   0.818   1.585
  344    HE2  PHE  49           HE2      PHE  49   3.222   4.726   0.056
  345    HZ   PHE  49           HZ       PHE  49   3.622   3.229   1.954
  346    H    LYS  50           H        LYS  50   3.305  -1.650  -3.949
  347    HA   LYS  50           HA       LYS  50   1.883  -3.462  -2.287
  348   1HB   LYS  50          1HB       LYS  50   4.409  -3.704  -3.940
  349   2HB   LYS  50          2HB       LYS  50   3.723  -5.038  -3.035
  350   1HG   LYS  50          1HG       LYS  50   1.490  -4.086  -4.373
  351   2HG   LYS  50          2HG       LYS  50   2.755  -3.753  -5.539
  352   1HD   LYS  50          1HD       LYS  50   3.328  -6.358  -4.567
  353   2HD   LYS  50          2HD       LYS  50   1.587  -6.326  -4.764
  354   1HE   LYS  50          1HE       LYS  50   2.607  -5.027  -7.076
  355   2HE   LYS  50          2HE       LYS  50   3.674  -6.392  -6.818
  356   1HZ   LYS  50          1HZ       LYS  50   1.339  -7.533  -6.421
  357   2HZ   LYS  50          2HZ       LYS  50   0.875  -6.375  -7.475
  358   3HZ   LYS  50          3HZ       LYS  50   2.038  -7.442  -7.894
  359    HA   PRO  51           HA       PRO  51   4.230  -3.230   1.326
  360   1HB   PRO  51          1HB       PRO  51   4.308  -5.810   2.225
  361   2HB   PRO  51          2HB       PRO  51   2.909  -4.771   2.414
  362   1HG   PRO  51          1HG       PRO  51   3.312  -7.011   0.529
  363   2HG   PRO  51          2HG       PRO  51   1.813  -6.251   1.026
  364   1HD   PRO  51          1HD       PRO  51   3.189  -5.868  -1.462
  365   2HD   PRO  51          2HD       PRO  51   1.754  -5.022  -0.916
  366    H    LEU  52           H        LEU  52   6.280  -2.691   1.699
  367    HA   LEU  52           HA       LEU  52   8.322  -3.178   0.126
  368   1HB   LEU  52          1HB       LEU  52   8.678  -1.788   1.948
  369   2HB   LEU  52          2HB       LEU  52   8.186  -3.000   3.113
  370    HG   LEU  52           HG       LEU  52  10.675  -3.396   1.465
  371   1HD1  LEU  52          1HD1      LEU  52  10.558  -1.103   2.703
  372   2HD1  LEU  52          2HD1      LEU  52  10.816  -2.088   4.163
  373   3HD1  LEU  52          3HD1      LEU  52  12.013  -2.119   2.846
  374   1HD2  LEU  52          1HD2      LEU  52   9.560  -4.507   4.025
  375   2HD2  LEU  52          2HD2      LEU  52  10.182  -5.358   2.591
  376   3HD2  LEU  52          3HD2      LEU  52  11.310  -4.548   3.704
  377    H    GLN  53           H        GLN  53   9.736  -4.791  -0.496
  378    HA   GLN  53           HA       GLN  53   8.848  -7.401  -0.187
  379   1HB   GLN  53          1HB       GLN  53  11.131  -6.005  -1.467
  380   2HB   GLN  53          2HB       GLN  53  11.489  -7.653  -0.991
  381   1HG   GLN  53          1HG       GLN  53  10.448  -8.318  -2.898
  382   2HG   GLN  53          2HG       GLN  53   8.937  -7.872  -2.130
  383   2HE2  GLN  53          2HE2      GLN  53   8.759  -5.288  -2.065
  384   1HE2  GLN  53          1HE2      GLN  53   8.885  -4.533  -3.619
  385    H    GLU  54           H        GLU  54   8.634  -7.533   2.206
  386    HA   GLU  54           HA       GLU  54  10.555  -7.177   4.021
  387   1HB   GLU  54          1HB       GLU  54   9.292  -8.541   5.453
  388   2HB   GLU  54          2HB       GLU  54   8.112  -8.086   4.239
  389   1HG   GLU  54          1HG       GLU  54   8.749 -10.257   2.992
  390   2HG   GLU  54          2HG       GLU  54   9.644 -10.716   4.427
  391    H    ALA  55           H        ALA  55  12.634  -7.870   4.247
  392    HA   ALA  55           HA       ALA  55  13.292 -10.616   3.925
  393   1HB   ALA  55          1HB       ALA  55  13.374 -10.258   1.596
  394   2HB   ALA  55          2HB       ALA  55  15.063 -10.037   2.113
  395   3HB   ALA  55          3HB       ALA  55  14.042  -8.618   1.778
  396    H    GLU  56           H        GLU  56  13.593  -9.671   6.229
  397    HA   GLU  56           HA       GLU  56  16.373  -9.248   6.527
  398   1HB   GLU  56          1HB       GLU  56  14.583  -6.924   6.547
  399   2HB   GLU  56          2HB       GLU  56  15.430  -7.087   8.072
  400   1HG   GLU  56          1HG       GLU  56  17.485  -6.628   7.141
  401   2HG   GLU  56          2HG       GLU  56  17.143  -7.531   5.678
  402    H    CYS  57           H        CYS  57  17.062  -9.565   8.763
  403    HA   CYS  57           HA       CYS  57  14.875 -10.480  10.485
  404   1HB   CYS  57          1HB       CYS  57  16.349 -12.288   9.365
  405   2HB   CYS  57          2HB       CYS  57  17.594 -11.770  10.483
  406    H    THR  58           H        THR  58  18.473  -9.876  10.567
  407    HA   THR  58           HA       THR  58  18.312  -8.777  13.199
  408    HB   THR  58           HB       THR  58  20.494  -9.028  11.070
  409    HG1  THR  58           HG1      THR  58  19.934 -10.194  13.707
  410   1HG2  THR  58          1HG2      THR  58  20.639  -8.046  13.968
  411   2HG2  THR  58          2HG2      THR  58  22.051  -8.603  13.038
  412   3HG2  THR  58          3HG2      THR  58  21.159  -7.154  12.518
  413    H    PHE  59           H        PHE  59  19.361  -7.289  10.055
  414    HA   PHE  59           HA       PHE  59  19.216  -4.691  11.086
  415   1HB   PHE  59          1HB       PHE  59  19.198  -6.027   8.331
  416   2HB   PHE  59          2HB       PHE  59  19.082  -4.282   8.449
  417    HD1  PHE  59           HD1      PHE  59  21.225  -7.140   9.494
  418    HD2  PHE  59           HD2      PHE  59  21.018  -2.995   8.608
  419    HE1  PHE  59           HE1      PHE  59  23.726  -6.983   9.641
  420    HE2  PHE  59           HE2      PHE  59  23.519  -2.839   8.755
  421    HZ   PHE  59           HZ       PHE  59  24.843  -4.835   9.270

  No H/Q in entry =         421
  Start of MODEL   54
    1    H    GLU   1           H        GLU   1  12.293 -13.733  16.396
    2    HA   GLU   1           HA       GLU   1  10.746 -14.990  15.090
    3   1HB   GLU   1          1HB       GLU   1   9.069 -14.592  17.568
    4   2HB   GLU   1          2HB       GLU   1   8.258 -14.745  16.022
    5   1HG   GLU   1          1HG       GLU   1   9.402 -16.910  15.605
    6   2HG   GLU   1          2HG       GLU   1  10.296 -16.749  17.104
    7    H    GLU   2           H        GLU   2  10.635 -13.582  13.398
    8    HA   GLU   2           HA       GLU   2   9.643 -10.913  14.007
    9   1HB   GLU   2          1HB       GLU   2  11.980 -11.701  12.714
   10   2HB   GLU   2          2HB       GLU   2  10.920 -11.326  11.370
   11   1HG   GLU   2          1HG       GLU   2  10.929  -9.365  13.644
   12   2HG   GLU   2          2HG       GLU   2  12.389  -9.439  12.676
   13    H    TYR   3           H        TYR   3   7.710 -10.244  13.142
   14    HA   TYR   3           HA       TYR   3   6.764 -11.233  10.654
   15   1HB   TYR   3          1HB       TYR   3   6.379 -13.009  12.661
   16   2HB   TYR   3          2HB       TYR   3   5.096 -11.909  13.125
   17    HD1  TYR   3           HD1      TYR   3   6.289 -14.146  10.413
   18    HD2  TYR   3           HD2      TYR   3   3.015 -11.858  11.946
   19    HE1  TYR   3           HE1      TYR   3   4.722 -15.260   8.749
   20    HE2  TYR   3           HE2      TYR   3   1.459 -12.980  10.278
   21    HH   TYR   3           HH       TYR   3   2.079 -14.174   7.760
   22    H    VAL   4           H        VAL   4   5.435  -9.704   9.772
   23    HA   VAL   4           HA       VAL   4   3.888  -8.028  11.574
   24    HB   VAL   4           HB       VAL   4   6.063  -6.915  11.331
   25   1HG1  VAL   4          1HG1      VAL   4   6.162  -7.895   8.814
   26   2HG1  VAL   4          2HG1      VAL   4   5.600  -6.241   8.474
   27   3HG1  VAL   4          3HG1      VAL   4   7.119  -6.499   9.365
   28   1HG2  VAL   4          1HG2      VAL   4   3.582  -5.795  11.154
   29   2HG2  VAL   4          2HG2      VAL   4   5.098  -4.873  11.295
   30   3HG2  VAL   4          3HG2      VAL   4   4.360  -5.135   9.696
   31    H    GLY   5           H        GLY   5   1.926  -7.424  10.683
   32   1HA   GLY   5          1HA       GLY   5   0.516  -8.703   8.950
   33   2HA   GLY   5          2HA       GLY   5   1.557  -7.888   7.800
   34    H    LEU   6           H        LEU   6   1.615  -5.645  10.131
   35    HA   LEU   6           HA       LEU   6  -1.046  -4.568   9.724
   36   1HB   LEU   6          1HB       LEU   6  -0.387  -2.908  11.361
   37   2HB   LEU   6          2HB       LEU   6  -0.137  -4.539  11.953
   38    HG   LEU   6           HG       LEU   6   2.339  -3.977  10.936
   39   1HD1  LEU   6          1HD1      LEU   6   1.056  -1.383  11.736
   40   2HD1  LEU   6          2HD1      LEU   6   2.793  -1.651  12.020
   41   3HD1  LEU   6          3HD1      LEU   6   2.136  -1.747  10.369
   42   1HD2  LEU   6          1HD2      LEU   6   1.507  -4.859  13.228
   43   2HD2  LEU   6          2HD2      LEU   6   3.079  -4.030  13.133
   44   3HD2  LEU   6          3HD2      LEU   6   1.651  -3.162  13.747
   45    H    SER   7           H        SER   7  -0.591  -1.831   9.658
   46    HA   SER   7           HA       SER   7   0.607  -1.619   7.021
   47   1HB   SER   7          1HB       SER   7  -0.692   0.606   6.995
   48   2HB   SER   7          2HB       SER   7  -1.643  -0.866   6.945
   49    HG   SER   7           HG       SER   7  -2.520  -0.391   8.846
   50    H    ALA   8           H        ALA   8   2.825  -1.341   7.567
   51    HA   ALA   8           HA       ALA   8   3.673   1.230   8.117
   52   1HB   ALA   8          1HB       ALA   8   4.003   1.390  10.363
   53   2HB   ALA   8          2HB       ALA   8   2.719   0.160  10.448
   54   3HB   ALA   8          3HB       ALA   8   4.429  -0.331  10.525
   55    H    ASN   9           H        ASN   9   4.877  -1.908   9.483
   56    HA   ASN   9           HA       ASN   9   7.413  -1.574   8.523
   57   1HB   ASN   9          1HB       ASN   9   6.010  -3.510  10.011
   58   2HB   ASN   9          2HB       ASN   9   6.533  -4.405   8.598
   59   2HD2  ASN   9          2HD2      ASN   9   7.329  -4.051  11.584
   60   1HD2  ASN   9          1HD2      ASN   9   9.060  -4.000  11.555
   61    H    GLN  10           H        GLN  10   4.521  -3.256   7.139
   62    HA   GLN  10           HA       GLN  10   5.952  -4.186   4.880
   63   1HB   GLN  10          1HB       GLN  10   2.961  -3.965   4.820
   64   2HB   GLN  10          2HB       GLN  10   3.990  -5.291   4.316
   65   1HG   GLN  10          1HG       GLN  10   4.565  -5.467   6.906
   66   2HG   GLN  10          2HG       GLN  10   3.077  -4.564   7.111
   67   2HE2  GLN  10          2HE2      GLN  10   1.124  -5.398   6.117
   68   1HE2  GLN  10          1HE2      GLN  10   0.881  -7.107   5.979
   69    H    CYS  11           H        CYS  11   4.151  -1.273   5.767
   70    HA   CYS  11           HA       CYS  11   4.362  -0.369   2.989
   71   1HB   CYS  11          1HB       CYS  11   2.694   1.137   4.929
   72   2HB   CYS  11          2HB       CYS  11   2.465   0.863   3.214
   73    H    ALA  12           H        ALA  12   6.704  -0.457   4.550
   74    HA   ALA  12           HA       ALA  12   7.033   2.355   5.345
   75   1HB   ALA  12          1HB       ALA  12   9.151   0.952   6.446
   76   2HB   ALA  12          2HB       ALA  12   7.661   1.412   7.303
   77   3HB   ALA  12          3HB       ALA  12   7.807  -0.207   6.578
   78    H    VAL  13           H        VAL  13   7.095   2.046   2.682
   79    HA   VAL  13           HA       VAL  13   9.832   1.426   1.910
   80    HB   VAL  13           HB       VAL  13   7.915   2.402  -0.099
   81   1HG1  VAL  13          1HG1      VAL  13  10.141   0.514   0.155
   82   2HG1  VAL  13          2HG1      VAL  13   8.787  -0.132  -0.803
   83   3HG1  VAL  13          3HG1      VAL  13   9.551   1.408  -1.267
   84   1HG2  VAL  13          1HG2      VAL  13   7.272   0.063   1.677
   85   2HG2  VAL  13          2HG2      VAL  13   6.194   1.304   0.993
   86   3HG2  VAL  13          3HG2      VAL  13   6.835   0.009  -0.047
   87    HA   PRO  14           HA       PRO  14  10.959   5.594   1.748
   88   1HB   PRO  14          1HB       PRO  14  13.002   5.534  -0.067
   89   2HB   PRO  14          2HB       PRO  14  13.195   5.061   1.610
   90   1HG   PRO  14          1HG       PRO  14  13.026   3.346  -0.792
   91   2HG   PRO  14          2HG       PRO  14  13.633   2.946   0.802
   92   1HD   PRO  14          1HD       PRO  14  11.098   2.193  -0.309
   93   2HD   PRO  14          2HD       PRO  14  11.657   1.892   1.324
   94    H    ALA  15           H        ALA  15   9.234   4.173  -0.592
   95    HA   ALA  15           HA       ALA  15   7.787   5.198  -1.986
   96   1HB   ALA  15          1HB       ALA  15   8.667   7.391  -0.644
   97   2HB   ALA  15          2HB       ALA  15   9.315   7.739  -2.265
   98   3HB   ALA  15          3HB       ALA  15   7.569   7.471  -2.043
   99    H    LYS  16           H        LYS  16  11.307   5.288  -2.257
  100    HA   LYS  16           HA       LYS  16  11.175   5.413  -5.150
  101   1HB   LYS  16          1HB       LYS  16  13.606   5.483  -5.038
  102   2HB   LYS  16          2HB       LYS  16  12.902   6.689  -3.980
  103   1HG   LYS  16          1HG       LYS  16  14.344   5.805  -2.429
  104   2HG   LYS  16          2HG       LYS  16  13.079   4.612  -2.217
  105   1HD   LYS  16          1HD       LYS  16  14.994   3.274  -2.557
  106   2HD   LYS  16          2HD       LYS  16  14.256   3.296  -4.147
  107   1HE   LYS  16          1HE       LYS  16  15.902   4.680  -5.055
  108   2HE   LYS  16          2HE       LYS  16  16.216   5.495  -3.536
  109   1HZ   LYS  16          1HZ       LYS  16  16.933   2.689  -4.004
  110   2HZ   LYS  16          2HZ       LYS  16  17.959   3.928  -4.282
  111   3HZ   LYS  16          3HZ       LYS  16  17.415   3.642  -2.769
  112    H    ASP  17           H        ASP  17  10.309   3.119  -3.048
  113    HA   ASP  17           HA       ASP  17  11.451   1.039  -4.735
  114   1HB   ASP  17          1HB       ASP  17  11.827   1.402  -1.920
  115   2HB   ASP  17          2HB       ASP  17  10.736   0.042  -2.093
  116    H    ARG  18           H        ARG  18   8.829   2.685  -4.567
  117    HA   ARG  18           HA       ARG  18   6.901   0.876  -3.580
  118   1HB   ARG  18          1HB       ARG  18   6.388   3.176  -5.518
  119   2HB   ARG  18          2HB       ARG  18   5.274   2.505  -4.343
  120   1HG   ARG  18          1HG       ARG  18   7.896   3.673  -3.379
  121   2HG   ARG  18          2HG       ARG  18   6.594   4.759  -3.821
  122   1HD   ARG  18          1HD       ARG  18   5.276   2.861  -2.249
  123   2HD   ARG  18          2HD       ARG  18   6.838   2.978  -1.463
  124    HE   ARG  18           HE       ARG  18   5.519   5.547  -2.132
  125   1HH1  ARG  18          1HH1      ARG  18   6.245   3.127   0.317
  126   2HH1  ARG  18          2HH1      ARG  18   5.909   4.185   1.646
  127   1HH2  ARG  18          1HH2      ARG  18   5.076   6.944  -0.379
  128   2HH2  ARG  18          2HH2      ARG  18   5.239   6.371   1.247
  129    H    VAL  19           H        VAL  19   5.569  -0.581  -4.751
  130    HA   VAL  19           HA       VAL  19   6.505  -1.133  -7.459
  131    HB   VAL  19           HB       VAL  19   4.897  -2.723  -5.454
  132   1HG1  VAL  19          1HG1      VAL  19   5.682  -3.379  -8.306
  133   2HG1  VAL  19          2HG1      VAL  19   5.220  -4.615  -7.111
  134   3HG1  VAL  19          3HG1      VAL  19   4.053  -3.359  -7.589
  135   1HG2  VAL  19          1HG2      VAL  19   7.699  -2.357  -5.834
  136   2HG2  VAL  19          2HG2      VAL  19   6.865  -3.448  -4.702
  137   3HG2  VAL  19          3HG2      VAL  19   7.294  -4.017  -6.333
  138    H    ASP  20           H        ASP  20   4.192   0.741  -5.935
  139    HA   ASP  20           HA       ASP  20   2.265   1.579  -6.488
  140   1HB   ASP  20          1HB       ASP  20   3.340   2.562  -8.373
  141   2HB   ASP  20          2HB       ASP  20   3.495   1.026  -9.202
  142    H    CYS  21           H        CYS  21   0.631   0.162  -5.733
  143    HA   CYS  21           HA       CYS  21   0.155  -2.338  -6.952
  144   1HB   CYS  21          1HB       CYS  21  -0.423  -1.260  -4.536
  145   2HB   CYS  21          2HB       CYS  21  -1.985  -1.107  -5.316
  146    H    GLY  22           H        GLY  22  -0.855   0.992  -7.492
  147   1HA   GLY  22          1HA       GLY  22  -2.137   0.358  -9.938
  148   2HA   GLY  22          2HA       GLY  22  -2.080   1.917  -9.140
  149    H    TYR  23           H        TYR  23  -3.776   2.577  -7.720
  150    HA   TYR  23           HA       TYR  23  -6.187   0.942  -8.008
  151   1HB   TYR  23          1HB       TYR  23  -4.667   1.908  -5.566
  152   2HB   TYR  23          2HB       TYR  23  -6.413   2.023  -5.474
  153    HD1  TYR  23           HD1      TYR  23  -7.741  -0.176  -6.075
  154    HD2  TYR  23           HD2      TYR  23  -3.614  -0.083  -4.949
  155    HE1  TYR  23           HE1      TYR  23  -7.860  -2.626  -5.406
  156    HE2  TYR  23           HE2      TYR  23  -3.748  -2.533  -4.284
  157    HH   TYR  23           HH       TYR  23  -5.702  -4.559  -5.260
  158    HA   PRO  24           HA       PRO  24  -7.930   4.811  -8.862
  159   1HB   PRO  24          1HB       PRO  24 -10.587   4.235  -8.582
  160   2HB   PRO  24          2HB       PRO  24  -9.669   3.847 -10.023
  161   1HG   PRO  24          1HG       PRO  24 -10.600   2.041  -7.876
  162   2HG   PRO  24          2HG       PRO  24 -10.070   1.637  -9.497
  163   1HD   PRO  24          1HD       PRO  24  -8.572   1.319  -7.072
  164   2HD   PRO  24          2HD       PRO  24  -8.001   1.025  -8.703
  165    H    HIS  25           H        HIS  25 -10.101   3.570  -6.376
  166    HA   HIS  25           HA       HIS  25  -9.817   6.126  -5.050
  167   1HB   HIS  25          1HB       HIS  25 -11.783   5.592  -3.886
  168   2HB   HIS  25          2HB       HIS  25 -12.042   5.013  -5.520
  169    HD1  HIS  25           HD1      HIS  25 -13.489   3.921  -2.873
  170    HD2  HIS  25           HD2      HIS  25 -10.311   2.092  -4.910
  171    HE1  HIS  25           HE1      HIS  25 -13.587   1.442  -2.274
  172    HE2  HIS  25           HE2      HIS  25 -11.644   0.362  -3.598
  173    H    VAL  26           H        VAL  26  -7.618   5.924  -4.302
  174    HA   VAL  26           HA       VAL  26  -7.131   3.753  -2.422
  175    HB   VAL  26           HB       VAL  26  -4.812   4.657  -2.469
  176   1HG1  VAL  26          1HG1      VAL  26  -6.040   3.938  -5.153
  177   2HG1  VAL  26          2HG1      VAL  26  -4.304   3.876  -4.763
  178   3HG1  VAL  26          3HG1      VAL  26  -5.444   2.803  -3.918
  179   1HG2  VAL  26          1HG2      VAL  26  -5.509   7.004  -3.088
  180   2HG2  VAL  26          2HG2      VAL  26  -4.148   6.345  -4.026
  181   3HG2  VAL  26          3HG2      VAL  26  -5.774   6.413  -4.746
  182    H    THR  27           H        THR  27  -6.827   4.060  -0.213
  183    HA   THR  27           HA       THR  27  -6.753   6.755   0.833
  184    HB   THR  27           HB       THR  27  -8.868   6.698   1.914
  185    HG1  THR  27           HG1      THR  27  -8.446   3.860   1.405
  186   1HG2  THR  27          1HG2      THR  27  -9.282   5.036  -0.628
  187   2HG2  THR  27          2HG2      THR  27 -10.572   5.858   0.281
  188   3HG2  THR  27          3HG2      THR  27  -9.315   6.813  -0.541
  189    HA   PRO  28           HA       PRO  28  -4.707   4.830   4.084
  190   1HB   PRO  28          1HB       PRO  28  -5.563   6.078   6.359
  191   2HB   PRO  28          2HB       PRO  28  -4.404   6.790   5.254
  192   1HG   PRO  28          1HG       PRO  28  -7.261   7.453   5.624
  193   2HG   PRO  28          2HG       PRO  28  -6.004   8.404   4.860
  194   1HD   PRO  28          1HD       PRO  28  -8.059   6.899   3.541
  195   2HD   PRO  28          2HD       PRO  28  -6.734   7.755   2.778
  196    H    LYS  29           H        LYS  29  -6.993   3.388   3.175
  197    HA   LYS  29           HA       LYS  29  -7.047   1.436   5.145
  198   1HB   LYS  29          1HB       LYS  29  -8.435   3.394   6.211
  199   2HB   LYS  29          2HB       LYS  29  -9.703   2.843   5.136
  200   1HG   LYS  29          1HG       LYS  29  -8.197   0.910   6.944
  201   2HG   LYS  29          2HG       LYS  29  -9.600   1.791   7.513
  202   1HD   LYS  29          1HD       LYS  29 -10.969   0.832   5.659
  203   2HD   LYS  29          2HD       LYS  29  -9.565  -0.027   5.057
  204   1HE   LYS  29          1HE       LYS  29 -10.169  -0.480   7.947
  205   2HE   LYS  29          2HE       LYS  29 -11.383  -1.085   6.838
  206   1HZ   LYS  29          1HZ       LYS  29  -8.595  -1.643   6.254
  207   2HZ   LYS  29          2HZ       LYS  29  -9.321  -2.496   7.442
  208   3HZ   LYS  29          3HZ       LYS  29  -9.920  -2.537   5.924
  209    H    GLU  30           H        GLU  30  -9.184   3.084   2.716
  210    HA   GLU  30           HA       GLU  30 -10.274   0.723   1.767
  211   1HB   GLU  30          1HB       GLU  30 -11.128   3.090   1.399
  212   2HB   GLU  30          2HB       GLU  30  -9.863   3.309   0.205
  213   1HG   GLU  30          1HG       GLU  30 -11.108   2.256  -1.369
  214   2HG   GLU  30          2HG       GLU  30 -11.211   0.818  -0.373
  215    H    CYS  31           H        CYS  31  -7.225   2.415   1.067
  216    HA   CYS  31           HA       CYS  31  -6.713   0.916  -1.305
  217   1HB   CYS  31          1HB       CYS  31  -5.662   2.942  -1.397
  218   2HB   CYS  31          2HB       CYS  31  -5.274   2.960   0.312
  219    H    ASN  32           H        ASN  32  -5.851   0.827   2.191
  220    HA   ASN  32           HA       ASN  32  -4.112  -1.399   1.783
  221   1HB   ASN  32          1HB       ASN  32  -3.618  -1.200   4.121
  222   2HB   ASN  32          2HB       ASN  32  -3.887   0.451   3.599
  223   2HD2  ASN  32          2HD2      ASN  32  -4.278   0.824   5.868
  224   1HD2  ASN  32          1HD2      ASN  32  -5.851   0.556   6.543
  225    H    ASN  33           H        ASN  33  -7.400  -1.039   1.659
  226    HA   ASN  33           HA       ASN  33  -7.954  -3.428   3.217
  227   1HB   ASN  33          1HB       ASN  33  -9.410  -1.484   3.702
  228   2HB   ASN  33          2HB       ASN  33  -9.798  -1.305   2.002
  229   2HD2  ASN  33          2HD2      ASN  33 -11.072  -2.860   0.950
  230   1HD2  ASN  33          1HD2      ASN  33 -12.147  -3.912   1.810
  231    H    ARG  34           H        ARG  34  -8.103  -1.882  -0.023
  232    HA   ARG  34           HA       ARG  34  -9.616  -3.791  -1.295
  233   1HB   ARG  34          1HB       ARG  34  -8.505  -1.417  -2.033
  234   2HB   ARG  34          2HB       ARG  34  -7.357  -2.492  -2.807
  235   1HG   ARG  34          1HG       ARG  34  -9.297  -1.842  -4.291
  236   2HG   ARG  34          2HG       ARG  34  -9.106  -3.574  -4.103
  237   1HD   ARG  34          1HD       ARG  34 -11.084  -3.807  -2.940
  238   2HD   ARG  34          2HD       ARG  34 -10.864  -2.312  -2.054
  239    HE   ARG  34           HE       ARG  34 -11.384  -1.809  -4.870
  240   1HH1  ARG  34          1HH1      ARG  34 -12.936  -2.590  -1.810
  241   2HH1  ARG  34          2HH1      ARG  34 -14.462  -1.909  -2.264
  242   1HH2  ARG  34          1HH2      ARG  34 -13.398  -0.911  -5.470
  243   2HH2  ARG  34          2HH2      ARG  34 -14.727  -0.948  -4.360
  244    H    GLY  35           H        GLY  35  -6.274  -3.803  -0.185
  245   1HA   GLY  35          1HA       GLY  35  -5.798  -6.336  -1.641
  246   2HA   GLY  35          2HA       GLY  35  -5.399  -6.106   0.050
  247    H    CYS  36           H        CYS  36  -3.926  -4.110   0.534
  248    HA   CYS  36           HA       CYS  36  -1.513  -4.470  -0.637
  249   1HB   CYS  36          1HB       CYS  36  -3.142  -3.132  -2.486
  250   2HB   CYS  36          2HB       CYS  36  -2.112  -1.888  -1.807
  251    H    CYS  37           H        CYS  37  -0.654  -1.618  -0.639
  252    HA   CYS  37           HA       CYS  37  -1.323  -0.947   2.134
  253   1HB   CYS  37          1HB       CYS  37   1.330  -1.165   0.783
  254   2HB   CYS  37          2HB       CYS  37   1.113   0.102   1.975
  255    H    PHE  38           H        PHE  38  -1.261   1.411   2.587
  256    HA   PHE  38           HA       PHE  38  -1.602   2.973   0.123
  257   1HB   PHE  38          1HB       PHE  38  -3.705   2.660   1.404
  258   2HB   PHE  38          2HB       PHE  38  -2.897   3.054   2.909
  259    HD1  PHE  38           HD1      PHE  38  -4.187   4.445  -0.246
  260    HD2  PHE  38           HD2      PHE  38  -2.562   5.328   3.574
  261    HE1  PHE  38           HE1      PHE  38  -4.851   6.850  -0.519
  262    HE2  PHE  38           HE2      PHE  38  -3.226   7.733   3.301
  263    HZ   PHE  38           HZ       PHE  38  -4.363   8.466   1.258
  264    H    ASP  39           H        ASP  39  -1.401   5.480   0.722
  265    HA   ASP  39           HA       ASP  39   0.213   6.216   2.826
  266   1HB   ASP  39          1HB       ASP  39   2.016   4.960   1.765
  267   2HB   ASP  39          2HB       ASP  39   1.667   5.672   0.202
  268    H    SER  40           H        SER  40   0.351   8.547   2.835
  269    HA   SER  40           HA       SER  40  -0.509   9.822   0.362
  270   1HB   SER  40          1HB       SER  40  -1.936  11.361   1.646
  271   2HB   SER  40          2HB       SER  40  -2.434   9.702   1.915
  272    HG   SER  40           HG       SER  40  -1.631  11.554   3.747
  273    H    ARG  41           H        ARG  41   2.088   9.331   2.096
  274    HA   ARG  41           HA       ARG  41   2.865  11.695   3.214
  275   1HB   ARG  41          1HB       ARG  41   4.005   9.238   2.922
  276   2HB   ARG  41          2HB       ARG  41   4.931  10.102   1.711
  277   1HG   ARG  41          1HG       ARG  41   4.926  11.872   3.890
  278   2HG   ARG  41          2HG       ARG  41   5.052  10.300   4.655
  279   1HD   ARG  41          1HD       ARG  41   6.805  10.401   2.321
  280   2HD   ARG  41          2HD       ARG  41   7.132  11.769   3.367
  281    HE   ARG  41           HE       ARG  41   6.886   9.215   4.799
  282   1HH1  ARG  41          1HH1      ARG  41   9.076  11.419   3.146
  283   2HH1  ARG  41          2HH1      ARG  41  10.490  10.812   3.941
  284   1HH2  ARG  41          1HH2      ARG  41   8.752   8.415   5.848
  285   2HH2  ARG  41          2HH2      ARG  41  10.305   9.092   5.488
  286    H    ILE  42           H        ILE  42   3.455  10.444  -0.153
  287    HA   ILE  42           HA       ILE  42   3.547  13.206  -1.067
  288    HB   ILE  42           HB       ILE  42   5.562  12.107  -2.539
  289   1HG1  ILE  42          1HG1      ILE  42   7.156  11.111  -0.928
  290   2HG1  ILE  42          2HG1      ILE  42   5.906  11.099   0.301
  291   1HG2  ILE  42          1HG2      ILE  42   5.235  14.117  -0.468
  292   2HG2  ILE  42          2HG2      ILE  42   6.862  13.397  -0.439
  293   3HG2  ILE  42          3HG2      ILE  42   6.242  14.136  -1.935
  294   1HD1  ILE  42          1HD1      ILE  42   5.042   9.868  -2.252
  295   2HD1  ILE  42          2HD1      ILE  42   6.406   9.032  -1.472
  296   3HD1  ILE  42          3HD1      ILE  42   4.879   9.264  -0.586
  297    HA   PRO  43           HA       PRO  43   1.138  11.345  -4.143
  298   1HB   PRO  43          1HB       PRO  43   0.911  13.458  -5.861
  299   2HB   PRO  43          2HB       PRO  43  -0.089  13.271  -4.434
  300   1HG   PRO  43          1HG       PRO  43   2.187  15.105  -4.875
  301   2HG   PRO  43          2HG       PRO  43   0.930  15.189  -3.657
  302   1HD   PRO  43          1HD       PRO  43   3.635  14.316  -3.274
  303   2HD   PRO  43          2HD       PRO  43   2.347  14.290  -2.086
  304    H    GLY  44           H        GLY  44   4.052  13.036  -5.088
  305   1HA   GLY  44          1HA       GLY  44   5.721  12.271  -6.426
  306   2HA   GLY  44          2HA       GLY  44   4.450  12.330  -7.631
  307    H    VAL  45           H        VAL  45   4.922  10.118  -4.789
  308    HA   VAL  45           HA       VAL  45   5.469   7.928  -6.604
  309    HB   VAL  45           HB       VAL  45   6.310   6.828  -4.792
  310   1HG1  VAL  45          1HG1      VAL  45   7.178   9.344  -5.091
  311   2HG1  VAL  45          2HG1      VAL  45   6.594   9.460  -3.414
  312   3HG1  VAL  45          3HG1      VAL  45   7.826   8.250  -3.845
  313   1HG2  VAL  45          1HG2      VAL  45   4.238   8.296  -3.158
  314   2HG2  VAL  45          2HG2      VAL  45   4.451   6.545  -3.392
  315   3HG2  VAL  45          3HG2      VAL  45   5.604   7.455  -2.386
  316    HA   PRO  46           HA       PRO  46   1.532   6.154  -6.363
  317   1HB   PRO  46          1HB       PRO  46   1.955   3.479  -5.996
  318   2HB   PRO  46          2HB       PRO  46   2.147   4.276  -7.545
  319   1HG   PRO  46          1HG       PRO  46   4.233   3.323  -5.679
  320   2HG   PRO  46          2HG       PRO  46   4.380   3.722  -7.379
  321   1HD   PRO  46          1HD       PRO  46   5.231   5.327  -5.159
  322   2HD   PRO  46          2HD       PRO  46   5.272   5.775  -6.853
  323    H    TRP  47           H        TRP  47   0.559   7.222  -4.652
  324    HA   TRP  47           HA       TRP  47   0.916   6.936  -2.059
  325   1HB   TRP  47          1HB       TRP  47  -1.534   7.241  -3.712
  326   2HB   TRP  47          2HB       TRP  47  -1.764   6.861  -2.016
  327    HD1  TRP  47           HD1      TRP  47   1.175   9.135  -3.027
  328    HE1  TRP  47           HE1      TRP  47   0.827  11.599  -2.149
  329    HE3  TRP  47           HE3      TRP  47  -3.599   8.448  -1.417
  330    HZ2  TRP  47           HZ2      TRP  47  -1.356  12.954  -0.908
  331    HZ3  TRP  47           HZ3      TRP  47  -4.768  10.393  -0.384
  332    HH2  TRP  47           HH2      TRP  47  -3.723  12.587  -0.118
  333    H    CYS  48           H        CYS  48  -1.005   4.610  -4.090
  334    HA   CYS  48           HA       CYS  48  -0.961   2.746  -1.864
  335   1HB   CYS  48          1HB       CYS  48  -3.023   3.337  -3.332
  336   2HB   CYS  48          2HB       CYS  48  -2.303   2.256  -4.508
  337    H    PHE  49           H        PHE  49   0.843   1.451  -1.751
  338    HA   PHE  49           HA       PHE  49   1.853   0.388  -4.287
  339   1HB   PHE  49          1HB       PHE  49   4.152   0.596  -3.056
  340   2HB   PHE  49          2HB       PHE  49   3.445   2.096  -3.624
  341    HD1  PHE  49           HD1      PHE  49   3.567  -0.062  -0.585
  342    HD2  PHE  49           HD2      PHE  49   3.222   3.868  -2.148
  343    HE1  PHE  49           HE1      PHE  49   3.683   0.874   1.741
  344    HE2  PHE  49           HE2      PHE  49   3.338   4.804   0.178
  345    HZ   PHE  49           HZ       PHE  49   3.567   3.295   2.095
  346    H    LYS  50           H        LYS  50   3.201  -1.631  -3.962
  347    HA   LYS  50           HA       LYS  50   1.782  -3.420  -2.312
  348   1HB   LYS  50          1HB       LYS  50   4.446  -3.862  -3.686
  349   2HB   LYS  50          2HB       LYS  50   3.308  -5.086  -3.162
  350   1HG   LYS  50          1HG       LYS  50   1.582  -3.955  -4.723
  351   2HG   LYS  50          2HG       LYS  50   2.918  -3.029  -5.377
  352   1HD   LYS  50          1HD       LYS  50   2.924  -4.841  -6.843
  353   2HD   LYS  50          2HD       LYS  50   4.071  -5.412  -5.647
  354   1HE   LYS  50          1HE       LYS  50   2.518  -6.906  -4.665
  355   2HE   LYS  50          2HE       LYS  50   1.129  -6.018  -5.260
  356   1HZ   LYS  50          1HZ       LYS  50   1.938  -6.684  -7.529
  357   2HZ   LYS  50          2HZ       LYS  50   2.934  -7.744  -6.786
  358   3HZ   LYS  50          3HZ       LYS  50   1.317  -7.880  -6.606
  359    HA   PRO  51           HA       PRO  51   4.083  -3.327   1.338
  360   1HB   PRO  51          1HB       PRO  51   4.172  -5.936   2.147
  361   2HB   PRO  51          2HB       PRO  51   2.761  -4.917   2.351
  362   1HG   PRO  51          1HG       PRO  51   3.213  -7.086   0.394
  363   2HG   PRO  51          2HG       PRO  51   1.700  -6.358   0.896
  364   1HD   PRO  51          1HD       PRO  51   3.109  -5.874  -1.556
  365   2HD   PRO  51          2HD       PRO  51   1.658  -5.062  -1.003
  366    H    LEU  52           H        LEU  52   6.118  -2.698   1.623
  367    HA   LEU  52           HA       LEU  52   8.166  -3.274   0.046
  368   1HB   LEU  52          1HB       LEU  52   8.294  -1.685   1.837
  369   2HB   LEU  52          2HB       LEU  52   8.188  -2.949   3.046
  370    HG   LEU  52           HG       LEU  52  10.490  -2.568   1.110
  371   1HD1  LEU  52          1HD1      LEU  52  10.205  -1.857   4.039
  372   2HD1  LEU  52          2HD1      LEU  52  11.754  -1.903   3.162
  373   3HD1  LEU  52          3HD1      LEU  52  10.486  -0.754   2.671
  374   1HD2  LEU  52          1HD2      LEU  52   9.822  -4.691   3.089
  375   2HD2  LEU  52          2HD2      LEU  52  10.687  -4.792   1.537
  376   3HD2  LEU  52          3HD2      LEU  52  11.519  -4.164   2.980
  377    H    GLN  53           H        GLN  53   9.311  -5.011  -0.628
  378    HA   GLN  53           HA       GLN  53   8.603  -7.541   0.351
  379   1HB   GLN  53          1HB       GLN  53  10.756  -8.128  -1.137
  380   2HB   GLN  53          2HB       GLN  53   9.224  -7.688  -1.865
  381   1HG   GLN  53          1HG       GLN  53  11.300  -6.455  -2.756
  382   2HG   GLN  53          2HG       GLN  53   9.935  -5.449  -2.312
  383   2HE2  GLN  53          2HE2      GLN  53  10.457  -3.704  -1.262
  384   1HE2  GLN  53          1HE2      GLN  53  11.754  -3.497  -0.133
  385    H    GLU  54           H        GLU  54   9.235  -6.522   2.685
  386    HA   GLU  54           HA       GLU  54  11.799  -6.257   3.475
  387   1HB   GLU  54          1HB       GLU  54  10.937  -7.111   5.744
  388   2HB   GLU  54          2HB       GLU  54  10.080  -5.754   5.040
  389   1HG   GLU  54          1HG       GLU  54   8.251  -7.137   4.316
  390   2HG   GLU  54          2HG       GLU  54   9.169  -8.613   4.539
  391    H    ALA  55           H        ALA  55  13.347  -7.650   2.585
  392    HA   ALA  55           HA       ALA  55  13.078 -10.458   3.413
  393   1HB   ALA  55          1HB       ALA  55  13.587 -11.188   1.314
  394   2HB   ALA  55          2HB       ALA  55  12.943  -9.601   0.827
  395   3HB   ALA  55          3HB       ALA  55  14.699  -9.834   1.000
  396    H    GLU  56           H        GLU  56  15.372 -11.542   3.386
  397    HA   GLU  56           HA       GLU  56  17.041  -9.749   4.908
  398   1HB   GLU  56          1HB       GLU  56  18.181 -11.767   5.676
  399   2HB   GLU  56          2HB       GLU  56  16.450 -12.000   5.816
  400   1HG   GLU  56          1HG       GLU  56  16.357 -13.464   3.950
  401   2HG   GLU  56          2HG       GLU  56  17.867 -12.873   3.283
  402    H    CYS  57           H        CYS  57  19.544 -10.104   4.584
  403    HA   CYS  57           HA       CYS  57  20.189  -9.196   2.065
  404   1HB   CYS  57          1HB       CYS  57  21.556  -9.831   4.508
  405   2HB   CYS  57          2HB       CYS  57  22.482 -10.458   3.159
  406    H    THR  58           H        THR  58  22.059 -10.497   0.735
  407    HA   THR  58           HA       THR  58  22.469 -12.161  -0.681
  408    HB   THR  58           HB       THR  58  21.455 -13.874   1.651
  409    HG1  THR  58           HG1      THR  58  23.251 -12.254   1.969
  410   1HG2  THR  58          1HG2      THR  58  22.865 -14.476  -0.938
  411   2HG2  THR  58          2HG2      THR  58  23.516 -15.253   0.525
  412   3HG2  THR  58          3HG2      THR  58  21.823 -15.528   0.049
  413    H    PHE  59           H        PHE  59  19.682 -13.847   0.838
  414    HA   PHE  59           HA       PHE  59  18.544 -14.294  -1.710
  415   1HB   PHE  59          1HB       PHE  59  18.386 -15.712   0.435
  416   2HB   PHE  59          2HB       PHE  59  17.373 -14.464   1.132
  417    HD1  PHE  59           HD1      PHE  59  17.459 -16.321  -2.117
  418    HD2  PHE  59           HD2      PHE  59  15.150 -15.024   1.198
  419    HE1  PHE  59           HE1      PHE  59  15.428 -17.420  -3.102
  420    HE2  PHE  59           HE2      PHE  59  13.119 -16.123   0.214
  421    HZ   PHE  59           HZ       PHE  59  13.282 -17.308  -1.925

  No H/Q in entry =         421
  Start of MODEL   55
    1    H    GLU   1           H        GLU   1   7.964 -15.074  21.747
    2    HA   GLU   1           HA       GLU   1   6.051 -14.914  19.910
    3   1HB   GLU   1          1HB       GLU   1   7.099 -13.213  21.812
    4   2HB   GLU   1          2HB       GLU   1   7.443 -12.321  20.343
    5   1HG   GLU   1          1HG       GLU   1   4.823 -13.206  19.920
    6   2HG   GLU   1          2HG       GLU   1   4.842 -12.873  21.641
    7    H    GLU   2           H        GLU   2   5.916 -14.826  17.707
    8    HA   GLU   2           HA       GLU   2   8.383 -14.370  16.287
    9   1HB   GLU   2          1HB       GLU   2   5.672 -15.499  15.523
   10   2HB   GLU   2          2HB       GLU   2   6.839 -15.066  14.291
   11   1HG   GLU   2          1HG       GLU   2   8.198 -16.852  14.762
   12   2HG   GLU   2          2HG       GLU   2   8.012 -16.665  16.495
   13    H    TYR   3           H        TYR   3   7.898 -13.210  13.964
   14    HA   TYR   3           HA       TYR   3   7.359 -10.525  14.622
   15   1HB   TYR   3          1HB       TYR   3   8.665 -11.977  12.664
   16   2HB   TYR   3          2HB       TYR   3   7.181 -11.624  11.801
   17    HD1  TYR   3           HD1      TYR   3   9.659  -9.777  13.944
   18    HD2  TYR   3           HD2      TYR   3   7.201  -9.750  10.443
   19    HE1  TYR   3           HE1      TYR   3  10.561  -7.483  13.320
   20    HE2  TYR   3           HE2      TYR   3   8.110  -7.456   9.831
   21    HH   TYR   3           HH       TYR   3   9.153  -5.636  10.737
   22    H    VAL   4           H        VAL   4   5.688  -9.112  13.747
   23    HA   VAL   4           HA       VAL   4   3.428 -10.208  12.443
   24    HB   VAL   4           HB       VAL   4   3.044 -11.160  14.654
   25   1HG1  VAL   4          1HG1      VAL   4   4.253  -8.996  15.706
   26   2HG1  VAL   4          2HG1      VAL   4   2.554  -8.513  15.925
   27   3HG1  VAL   4          3HG1      VAL   4   3.144 -10.037  16.630
   28   1HG2  VAL   4          1HG2      VAL   4   1.226  -9.074  13.524
   29   2HG2  VAL   4          2HG2      VAL   4   0.993 -10.831  13.691
   30   3HG2  VAL   4          3HG2      VAL   4   0.813  -9.770  15.109
   31    H    GLY   5           H        GLY   5   3.429  -8.529  10.996
   32   1HA   GLY   5          1HA       GLY   5   4.217  -5.954  11.346
   33   2HA   GLY   5          2HA       GLY   5   2.574  -5.954  11.958
   34    H    LEU   6           H        LEU   6   0.875  -5.814  10.522
   35    HA   LEU   6           HA       LEU   6   1.493  -6.396   7.715
   36   1HB   LEU   6          1HB       LEU   6  -1.182  -6.256   7.757
   37   2HB   LEU   6          2HB       LEU   6  -0.267  -7.732   7.989
   38    HG   LEU   6           HG       LEU   6  -2.114  -7.462   9.604
   39   1HD1  LEU   6          1HD1      LEU   6   0.598  -8.149  10.161
   40   2HD1  LEU   6          2HD1      LEU   6  -0.092  -7.366  11.603
   41   3HD1  LEU   6          3HD1      LEU   6  -0.894  -8.787  10.893
   42   1HD2  LEU   6          1HD2      LEU   6  -0.880  -4.838   9.974
   43   2HD2  LEU   6          2HD2      LEU   6  -2.526  -5.401  10.352
   44   3HD2  LEU   6          3HD2      LEU   6  -1.201  -5.683  11.507
   45    H    SER   7           H        SER   7   1.837  -3.888   9.648
   46    HA   SER   7           HA       SER   7   0.935  -2.071   7.591
   47   1HB   SER   7          1HB       SER   7  -0.104  -0.536   9.169
   48   2HB   SER   7          2HB       SER   7  -0.856  -2.110   9.342
   49    HG   SER   7           HG       SER   7   0.805  -2.440  11.139
   50    H    ALA   8           H        ALA   8   2.040   0.111   7.802
   51    HA   ALA   8           HA       ALA   8   3.855   1.348   8.058
   52   1HB   ALA   8          1HB       ALA   8   4.002  -0.211  10.664
   53   2HB   ALA   8          2HB       ALA   8   5.096   1.137  10.266
   54   3HB   ALA   8          3HB       ALA   8   3.344   1.423  10.404
   55    H    ASN   9           H        ASN   9   5.327  -1.425   9.801
   56    HA   ASN   9           HA       ASN   9   7.640  -1.440   8.490
   57   1HB   ASN   9          1HB       ASN   9   6.569  -3.021  10.402
   58   2HB   ASN   9          2HB       ASN   9   6.387  -4.136   9.062
   59   2HD2  ASN   9          2HD2      ASN   9   8.202  -4.877   7.934
   60   1HD2  ASN   9          1HD2      ASN   9   9.796  -4.845   8.611
   61    H    GLN  10           H        GLN  10   4.489  -2.772   7.439
   62    HA   GLN  10           HA       GLN  10   5.640  -4.144   5.218
   63   1HB   GLN  10          1HB       GLN  10   3.386  -4.571   6.645
   64   2HB   GLN  10          2HB       GLN  10   2.692  -3.587   5.372
   65   1HG   GLN  10          1HG       GLN  10   3.965  -5.172   3.721
   66   2HG   GLN  10          2HG       GLN  10   4.157  -6.238   5.099
   67   2HE2  GLN  10          2HE2      GLN  10   2.570  -7.553   5.656
   68   1HE2  GLN  10          1HE2      GLN  10   0.957  -7.547   5.026
   69    H    CYS  11           H        CYS  11   4.049  -1.026   5.912
   70    HA   CYS  11           HA       CYS  11   4.344  -0.359   3.074
   71   1HB   CYS  11          1HB       CYS  11   2.598   1.247   4.890
   72   2HB   CYS  11          2HB       CYS  11   2.494   1.005   3.157
   73    H    ALA  12           H        ALA  12   6.649  -0.338   4.605
   74    HA   ALA  12           HA       ALA  12   6.972   2.503   5.295
   75   1HB   ALA  12          1HB       ALA  12   9.087   1.182   6.468
   76   2HB   ALA  12          2HB       ALA  12   7.571   1.615   7.294
   77   3HB   ALA  12          3HB       ALA  12   7.778  -0.016   6.614
   78    H    VAL  13           H        VAL  13   7.051   2.173   2.666
   79    HA   VAL  13           HA       VAL  13   9.769   1.468   1.899
   80    HB   VAL  13           HB       VAL  13   7.870   2.467  -0.118
   81   1HG1  VAL  13          1HG1      VAL  13  10.057   0.536   0.148
   82   2HG1  VAL  13          2HG1      VAL  13   8.687  -0.092  -0.799
   83   3HG1  VAL  13          3HG1      VAL  13   9.480   1.426  -1.281
   84   1HG2  VAL  13          1HG2      VAL  13   7.190   0.147   1.673
   85   2HG2  VAL  13          2HG2      VAL  13   6.135   1.416   1.008
   86   3HG2  VAL  13          3HG2      VAL  13   6.729   0.110  -0.045
   87    HA   PRO  14           HA       PRO  14  11.006   5.601   1.672
   88   1HB   PRO  14          1HB       PRO  14  13.030   5.468  -0.159
   89   2HB   PRO  14          2HB       PRO  14  13.225   5.008   1.521
   90   1HG   PRO  14          1HG       PRO  14  12.990   3.273  -0.860
   91   2HG   PRO  14          2HG       PRO  14  13.600   2.873   0.733
   92   1HD   PRO  14          1HD       PRO  14  11.036   2.176  -0.348
   93   2HD   PRO  14          2HD       PRO  14  11.602   1.878   1.284
   94    H    ALA  15           H        ALA  15   9.206   4.212  -0.620
   95    HA   ALA  15           HA       ALA  15   7.785   5.248  -2.025
   96   1HB   ALA  15          1HB       ALA  15   8.738   7.435  -0.702
   97   2HB   ALA  15          2HB       ALA  15   7.597   7.519  -2.066
   98   3HB   ALA  15          3HB       ALA  15   9.338   7.762  -2.346
   99    H    LYS  16           H        LYS  16  11.305   5.281  -2.316
  100    HA   LYS  16           HA       LYS  16  11.166   5.402  -5.207
  101   1HB   LYS  16          1HB       LYS  16  13.600   5.402  -5.100
  102   2HB   LYS  16          2HB       LYS  16  12.930   6.630  -4.045
  103   1HG   LYS  16          1HG       LYS  16  14.418   5.690  -2.547
  104   2HG   LYS  16          2HG       LYS  16  13.054   4.635  -2.235
  105   1HD   LYS  16          1HD       LYS  16  14.974   3.206  -2.560
  106   2HD   LYS  16          2HD       LYS  16  13.972   3.034  -3.988
  107   1HE   LYS  16          1HE       LYS  16  15.563   5.139  -4.765
  108   2HE   LYS  16          2HE       LYS  16  16.670   4.291  -3.704
  109   1HZ   LYS  16          1HZ       LYS  16  15.747   2.265  -5.058
  110   2HZ   LYS  16          2HZ       LYS  16  15.504   3.411  -6.195
  111   3HZ   LYS  16          3HZ       LYS  16  17.003   3.156  -5.599
  112    H    ASP  17           H        ASP  17  10.327   3.118  -3.033
  113    HA   ASP  17           HA       ASP  17  11.380   1.014  -4.753
  114   1HB   ASP  17          1HB       ASP  17  11.787   1.373  -1.945
  115   2HB   ASP  17          2HB       ASP  17  10.652   0.046  -2.100
  116    H    ARG  18           H        ARG  18   8.798   2.712  -4.595
  117    HA   ARG  18           HA       ARG  18   6.834   0.947  -3.592
  118   1HB   ARG  18          1HB       ARG  18   6.368   3.266  -5.520
  119   2HB   ARG  18          2HB       ARG  18   5.239   2.613  -4.350
  120   1HG   ARG  18          1HG       ARG  18   7.884   3.719  -3.378
  121   2HG   ARG  18          2HG       ARG  18   6.605   4.834  -3.813
  122   1HD   ARG  18          1HD       ARG  18   5.270   2.923  -2.248
  123   2HD   ARG  18          2HD       ARG  18   6.826   3.067  -1.454
  124    HE   ARG  18           HE       ARG  18   5.477   5.612  -2.156
  125   1HH1  ARG  18          1HH1      ARG  18   6.227   3.227   0.321
  126   2HH1  ARG  18          2HH1      ARG  18   5.872   4.295   1.638
  127   1HH2  ARG  18          1HH2      ARG  18   5.009   7.021  -0.419
  128   2HH2  ARG  18          2HH2      ARG  18   5.174   6.468   1.214
  129    H    VAL  19           H        VAL  19   5.543  -0.541  -4.737
  130    HA   VAL  19           HA       VAL  19   6.428  -1.080  -7.459
  131    HB   VAL  19           HB       VAL  19   4.496  -2.782  -5.942
  132   1HG1  VAL  19          1HG1      VAL  19   6.611  -3.151  -8.045
  133   2HG1  VAL  19          2HG1      VAL  19   6.132  -4.528  -7.024
  134   3HG1  VAL  19          3HG1      VAL  19   4.918  -3.698  -8.026
  135   1HG2  VAL  19          1HG2      VAL  19   7.443  -2.491  -5.306
  136   2HG2  VAL  19          2HG2      VAL  19   6.056  -2.372  -4.197
  137   3HG2  VAL  19          3HG2      VAL  19   6.502  -3.946  -4.899
  138    H    ASP  20           H        ASP  20   4.063   0.719  -5.836
  139    HA   ASP  20           HA       ASP  20   2.180   1.627  -6.410
  140   1HB   ASP  20          1HB       ASP  20   3.247   2.580  -8.318
  141   2HB   ASP  20          2HB       ASP  20   3.359   1.037  -9.141
  142    H    CYS  21           H        CYS  21   0.415   0.373  -5.733
  143    HA   CYS  21           HA       CYS  21  -0.060  -2.202  -6.786
  144   1HB   CYS  21          1HB       CYS  21  -0.749  -0.932  -4.499
  145   2HB   CYS  21          2HB       CYS  21  -2.255  -0.789  -5.384
  146    H    GLY  22           H        GLY  22  -0.642   1.000  -7.897
  147   1HA   GLY  22          1HA       GLY  22  -1.855   0.257 -10.274
  148   2HA   GLY  22          2HA       GLY  22  -1.850   1.867  -9.582
  149    H    TYR  23           H        TYR  23  -3.544   2.392  -7.903
  150    HA   TYR  23           HA       TYR  23  -6.048   1.140  -8.703
  151   1HB   TYR  23          1HB       TYR  23  -4.667   0.382  -6.397
  152   2HB   TYR  23          2HB       TYR  23  -5.598   1.731  -5.776
  153    HD1  TYR  23           HD1      TYR  23  -6.620  -0.770  -8.361
  154    HD2  TYR  23           HD2      TYR  23  -7.188   0.702  -4.384
  155    HE1  TYR  23           HE1      TYR  23  -8.641  -2.287  -8.080
  156    HE2  TYR  23           HE2      TYR  23  -9.206  -0.821  -4.117
  157    HH   TYR  23           HH       TYR  23 -10.678  -2.066  -5.226
  158    HA   PRO  24           HA       PRO  24  -7.327   5.267  -8.413
  159   1HB   PRO  24          1HB       PRO  24 -10.040   4.950  -8.476
  160   2HB   PRO  24          2HB       PRO  24  -9.038   4.912  -9.912
  161   1HG   PRO  24          1HG       PRO  24 -10.325   2.663  -8.489
  162   2HG   PRO  24          2HG       PRO  24  -9.692   2.710 -10.123
  163   1HD   PRO  24          1HD       PRO  24  -8.454   1.497  -7.838
  164   2HD   PRO  24          2HD       PRO  24  -7.771   1.646  -9.444
  165    H    HIS  25           H        HIS  25 -10.072   3.964  -6.714
  166    HA   HIS  25           HA       HIS  25  -9.898   5.873  -4.719
  167   1HB   HIS  25          1HB       HIS  25 -11.501   4.355  -3.503
  168   2HB   HIS  25          2HB       HIS  25 -11.980   4.847  -5.116
  169    HD1  HIS  25           HD1      HIS  25 -13.554   2.713  -5.184
  170    HD2  HIS  25           HD2      HIS  25  -9.444   1.895  -4.981
  171    HE1  HIS  25           HE1      HIS  25 -13.285   0.248  -5.788
  172    HE2  HIS  25           HE2      HIS  25 -10.735  -0.182  -5.700
  173    H    VAL  26           H        VAL  26  -7.696   5.958  -3.985
  174    HA   VAL  26           HA       VAL  26  -6.947   3.642  -2.337
  175    HB   VAL  26           HB       VAL  26  -4.627   4.433  -2.642
  176   1HG1  VAL  26          1HG1      VAL  26  -6.276   3.684  -5.063
  177   2HG1  VAL  26          2HG1      VAL  26  -4.505   3.842  -5.140
  178   3HG1  VAL  26          3HG1      VAL  26  -5.245   2.647  -4.048
  179   1HG2  VAL  26          1HG2      VAL  26  -5.868   6.775  -3.605
  180   2HG2  VAL  26          2HG2      VAL  26  -4.126   6.418  -3.527
  181   3HG2  VAL  26          3HG2      VAL  26  -5.045   6.045  -5.005
  182    H    THR  27           H        THR  27  -7.141   3.972  -0.188
  183    HA   THR  27           HA       THR  27  -6.565   6.655   0.831
  184    HB   THR  27           HB       THR  27  -8.668   6.875   1.860
  185    HG1  THR  27           HG1      THR  27  -9.317   5.041   2.912
  186   1HG2  THR  27          1HG2      THR  27  -9.010   6.593  -0.698
  187   2HG2  THR  27          2HG2      THR  27  -9.490   4.918  -0.337
  188   3HG2  THR  27          3HG2      THR  27 -10.434   6.275   0.322
  189    HA   PRO  28           HA       PRO  28  -4.669   4.575   4.077
  190   1HB   PRO  28          1HB       PRO  28  -5.343   5.948   6.342
  191   2HB   PRO  28          2HB       PRO  28  -4.136   6.511   5.203
  192   1HG   PRO  28          1HG       PRO  28  -6.898   7.484   5.609
  193   2HG   PRO  28          2HG       PRO  28  -5.560   8.281   4.804
  194   1HD   PRO  28          1HD       PRO  28  -7.790   6.983   3.550
  195   2HD   PRO  28          2HD       PRO  28  -6.395   7.677   2.749
  196    H    LYS  29           H        LYS  29  -7.091   3.352   3.234
  197    HA   LYS  29           HA       LYS  29  -7.333   1.496   5.302
  198   1HB   LYS  29          1HB       LYS  29  -8.573   3.600   6.233
  199   2HB   LYS  29          2HB       LYS  29  -9.845   3.144   5.118
  200   1HG   LYS  29          1HG       LYS  29  -8.854   0.806   6.592
  201   2HG   LYS  29          2HG       LYS  29  -9.377   2.065   7.693
  202   1HD   LYS  29          1HD       LYS  29 -11.573   2.200   6.535
  203   2HD   LYS  29          2HD       LYS  29 -11.053   0.994   5.374
  204   1HE   LYS  29          1HE       LYS  29 -10.777   0.199   8.245
  205   2HE   LYS  29          2HE       LYS  29 -12.424   0.409   7.684
  206   1HZ   LYS  29          1HZ       LYS  29 -11.327  -0.970   5.687
  207   2HZ   LYS  29          2HZ       LYS  29 -10.513  -1.586   6.962
  208   3HZ   LYS  29          3HZ       LYS  29 -12.145  -1.646   6.929
  209    H    GLU  30           H        GLU  30  -8.827   3.171   2.497
  210    HA   GLU  30           HA       GLU  30 -10.198   0.821   1.695
  211   1HB   GLU  30          1HB       GLU  30 -10.456   3.518   1.147
  212   2HB   GLU  30          2HB       GLU  30  -9.727   2.937  -0.337
  213   1HG   GLU  30          1HG       GLU  30 -11.533   1.511  -0.838
  214   2HG   GLU  30          2HG       GLU  30 -12.026   1.368   0.838
  215    H    CYS  31           H        CYS  31  -7.108   2.459   0.914
  216    HA   CYS  31           HA       CYS  31  -6.563   0.795  -1.319
  217   1HB   CYS  31          1HB       CYS  31  -5.464   2.791  -1.492
  218   2HB   CYS  31          2HB       CYS  31  -5.108   2.887   0.222
  219    H    ASN  32           H        ASN  32  -6.166   0.673   2.198
  220    HA   ASN  32           HA       ASN  32  -4.306  -1.516   1.979
  221   1HB   ASN  32          1HB       ASN  32  -3.635  -0.766   4.030
  222   2HB   ASN  32          2HB       ASN  32  -4.834   0.508   3.921
  223   2HD2  ASN  32          2HD2      ASN  32  -7.132  -0.219   4.399
  224   1HD2  ASN  32          1HD2      ASN  32  -7.370  -1.229   5.786
  225    H    ASN  33           H        ASN  33  -7.604  -1.067   1.699
  226    HA   ASN  33           HA       ASN  33  -8.351  -3.333   3.319
  227   1HB   ASN  33          1HB       ASN  33  -9.940  -1.532   3.439
  228   2HB   ASN  33          2HB       ASN  33  -9.876  -1.242   1.712
  229   2HD2  ASN  33          2HD2      ASN  33 -12.140  -1.367   1.652
  230   1HD2  ASN  33          1HD2      ASN  33 -12.984  -2.880   1.660
  231    H    ARG  34           H        ARG  34  -8.298  -2.148  -0.108
  232    HA   ARG  34           HA       ARG  34  -9.514  -4.268  -1.294
  233   1HB   ARG  34          1HB       ARG  34  -8.475  -1.972  -2.219
  234   2HB   ARG  34          2HB       ARG  34  -7.111  -2.993  -2.624
  235   1HG   ARG  34          1HG       ARG  34  -9.937  -3.091  -3.692
  236   2HG   ARG  34          2HG       ARG  34  -8.425  -3.110  -4.578
  237   1HD   ARG  34          1HD       ARG  34  -7.955  -5.420  -3.744
  238   2HD   ARG  34          2HD       ARG  34  -9.451  -5.402  -2.833
  239    HE   ARG  34           HE       ARG  34 -10.220  -4.783  -5.449
  240   1HH1  ARG  34          1HH1      ARG  34  -8.530  -7.446  -3.890
  241   2HH1  ARG  34          2HH1      ARG  34  -9.065  -8.627  -5.040
  242   1HH2  ARG  34          1HH2      ARG  34 -10.926  -6.340  -6.966
  243   2HH2  ARG  34          2HH2      ARG  34 -10.437  -7.993  -6.801
  244    H    GLY  35           H        GLY  35  -6.167  -3.895  -0.091
  245   1HA   GLY  35          1HA       GLY  35  -5.585  -6.660  -0.969
  246   2HA   GLY  35          2HA       GLY  35  -5.219  -6.072   0.640
  247    H    CYS  36           H        CYS  36  -3.840  -3.946   0.701
  248    HA   CYS  36           HA       CYS  36  -1.435  -4.493  -0.575
  249   1HB   CYS  36          1HB       CYS  36  -3.211  -3.163  -2.296
  250   2HB   CYS  36          2HB       CYS  36  -2.110  -1.924  -1.727
  251    H    CYS  37           H        CYS  37  -0.556  -1.654  -0.683
  252    HA   CYS  37           HA       CYS  37  -0.985  -0.947   2.129
  253   1HB   CYS  37          1HB       CYS  37   1.537  -1.166   0.544
  254   2HB   CYS  37          2HB       CYS  37   1.423   0.099   1.751
  255    H    PHE  38           H        PHE  38  -1.082   1.366   2.554
  256    HA   PHE  38           HA       PHE  38  -1.497   2.939   0.109
  257   1HB   PHE  38          1HB       PHE  38  -3.573   2.557   1.404
  258   2HB   PHE  38          2HB       PHE  38  -2.760   2.939   2.909
  259    HD1  PHE  38           HD1      PHE  38  -4.025   4.390  -0.243
  260    HD2  PHE  38           HD2      PHE  38  -2.573   5.181   3.665
  261    HE1  PHE  38           HE1      PHE  38  -4.756   6.782  -0.456
  262    HE2  PHE  38           HE2      PHE  38  -3.303   7.573   3.452
  263    HZ   PHE  38           HZ       PHE  38  -4.386   8.345   1.394
  264    H    ASP  39           H        ASP  39  -1.355   5.442   0.704
  265    HA   ASP  39           HA       ASP  39   0.270   6.206   2.801
  266   1HB   ASP  39          1HB       ASP  39   2.115   5.072   1.726
  267   2HB   ASP  39          2HB       ASP  39   1.670   5.691   0.148
  268    H    SER  40           H        SER  40   0.546   8.574   2.745
  269    HA   SER  40           HA       SER  40  -0.466   9.848   0.345
  270   1HB   SER  40          1HB       SER  40  -1.972  11.290   1.621
  271   2HB   SER  40          2HB       SER  40  -2.381   9.613   1.923
  272    HG   SER  40           HG       SER  40  -0.646  10.097   3.817
  273    H    ARG  41           H        ARG  41   2.139   9.411   2.083
  274    HA   ARG  41           HA       ARG  41   2.810  11.822   3.212
  275   1HB   ARG  41          1HB       ARG  41   4.009   9.409   3.097
  276   2HB   ARG  41          2HB       ARG  41   4.925  10.175   1.814
  277   1HG   ARG  41          1HG       ARG  41   5.119  12.155   3.644
  278   2HG   ARG  41          2HG       ARG  41   4.863  10.824   4.754
  279   1HD   ARG  41          1HD       ARG  41   6.870   9.752   4.164
  280   2HD   ARG  41          2HD       ARG  41   6.900  10.451   2.557
  281    HE   ARG  41           HE       ARG  41   8.036  11.614   4.959
  282   1HH1  ARG  41          1HH1      ARG  41   6.533  12.441   1.887
  283   2HH1  ARG  41          2HH1      ARG  41   7.291  13.996   1.789
  284   1HH2  ARG  41          1HH2      ARG  41   9.036  13.664   4.831
  285   2HH2  ARG  41          2HH2      ARG  41   8.724  14.696   3.475
  286    H    ILE  42           H        ILE  42   3.418  10.514  -0.121
  287    HA   ILE  42           HA       ILE  42   3.590  13.261  -1.069
  288    HB   ILE  42           HB       ILE  42   5.565  12.061  -2.531
  289   1HG1  ILE  42          1HG1      ILE  42   7.139  11.090  -0.870
  290   2HG1  ILE  42          2HG1      ILE  42   5.870  11.125   0.338
  291   1HG2  ILE  42          1HG2      ILE  42   5.529  14.352  -1.646
  292   2HG2  ILE  42          2HG2      ILE  42   5.899  13.726  -0.021
  293   3HG2  ILE  42          3HG2      ILE  42   7.083  13.540  -1.337
  294   1HD1  ILE  42          1HD1      ILE  42   5.002   9.855  -2.187
  295   2HD1  ILE  42          2HD1      ILE  42   6.370   9.021  -1.411
  296   3HD1  ILE  42          3HD1      ILE  42   4.854   9.271  -0.512
  297    HA   PRO  43           HA       PRO  43   1.094  11.413  -4.089
  298   1HB   PRO  43          1HB       PRO  43   0.830  13.543  -5.780
  299   2HB   PRO  43          2HB       PRO  43  -0.142  13.340  -4.336
  300   1HG   PRO  43          1HG       PRO  43   2.122  15.183  -4.802
  301   2HG   PRO  43          2HG       PRO  43   0.889  15.251  -3.559
  302   1HD   PRO  43          1HD       PRO  43   3.602  14.379  -3.238
  303   2HD   PRO  43          2HD       PRO  43   2.338  14.339  -2.025
  304    H    GLY  44           H        GLY  44   3.999  13.101  -5.054
  305   1HA   GLY  44          1HA       GLY  44   5.638  12.365  -6.441
  306   2HA   GLY  44          2HA       GLY  44   4.342  12.421  -7.620
  307    H    VAL  45           H        VAL  45   4.888  10.199  -4.799
  308    HA   VAL  45           HA       VAL  45   5.433   8.022  -6.624
  309    HB   VAL  45           HB       VAL  45   6.283   6.923  -4.820
  310   1HG1  VAL  45          1HG1      VAL  45   7.107   9.463  -5.080
  311   2HG1  VAL  45          2HG1      VAL  45   6.526   9.532  -3.399
  312   3HG1  VAL  45          3HG1      VAL  45   7.777   8.353  -3.860
  313   1HG2  VAL  45          1HG2      VAL  45   4.174   8.336  -3.188
  314   2HG2  VAL  45          2HG2      VAL  45   4.427   6.591  -3.432
  315   3HG2  VAL  45          3HG2      VAL  45   5.551   7.520  -2.410
  316    HA   PRO  46           HA       PRO  46   1.504   6.226  -6.412
  317   1HB   PRO  46          1HB       PRO  46   1.944   3.549  -6.078
  318   2HB   PRO  46          2HB       PRO  46   2.133   4.367  -7.616
  319   1HG   PRO  46          1HG       PRO  46   4.223   3.404  -5.761
  320   2HG   PRO  46          2HG       PRO  46   4.369   3.825  -7.456
  321   1HD   PRO  46          1HD       PRO  46   5.208   5.408  -5.216
  322   2HD   PRO  46          2HD       PRO  46   5.247   5.877  -6.904
  323    H    TRP  47           H        TRP  47   0.552   7.286  -4.675
  324    HA   TRP  47           HA       TRP  47   0.900   6.963  -2.092
  325   1HB   TRP  47          1HB       TRP  47  -1.553   7.274  -3.738
  326   2HB   TRP  47          2HB       TRP  47  -1.778   6.874  -2.047
  327    HD1  TRP  47           HD1      TRP  47   1.136   9.183  -3.063
  328    HE1  TRP  47           HE1      TRP  47   0.780  11.632  -2.148
  329    HE3  TRP  47           HE3      TRP  47  -3.607   8.432  -1.390
  330    HZ2  TRP  47           HZ2      TRP  47  -1.396  12.951  -0.856
  331    HZ3  TRP  47           HZ3      TRP  47  -4.776  10.353  -0.313
  332    HH2  TRP  47           HH2      TRP  47  -3.746  12.552  -0.035
  333    H    CYS  48           H        CYS  48  -1.084   4.673  -4.109
  334    HA   CYS  48           HA       CYS  48  -0.989   2.775  -1.919
  335   1HB   CYS  48          1HB       CYS  48  -3.090   3.355  -3.270
  336   2HB   CYS  48          2HB       CYS  48  -2.388   2.404  -4.563
  337    H    PHE  49           H        PHE  49   0.830   1.496  -1.849
  338    HA   PHE  49           HA       PHE  49   1.805   0.470  -4.416
  339   1HB   PHE  49          1HB       PHE  49   4.111   0.635  -3.185
  340   2HB   PHE  49          2HB       PHE  49   3.414   2.147  -3.730
  341    HD1  PHE  49           HD1      PHE  49   3.539  -0.054  -0.724
  342    HD2  PHE  49           HD2      PHE  49   3.191   3.899  -2.228
  343    HE1  PHE  49           HE1      PHE  49   3.665   0.847   1.615
  344    HE2  PHE  49           HE2      PHE  49   3.317   4.800   0.112
  345    HZ   PHE  49           HZ       PHE  49   3.552   3.263   2.005
  346    H    LYS  50           H        LYS  50   3.241  -1.531  -4.084
  347    HA   LYS  50           HA       LYS  50   1.791  -3.382  -2.523
  348   1HB   LYS  50          1HB       LYS  50   4.356  -3.543  -4.116
  349   2HB   LYS  50          2HB       LYS  50   3.711  -4.915  -3.238
  350   1HG   LYS  50          1HG       LYS  50   1.447  -4.085  -4.552
  351   2HG   LYS  50          2HG       LYS  50   2.669  -3.576  -5.701
  352   1HD   LYS  50          1HD       LYS  50   3.464  -6.179  -4.880
  353   2HD   LYS  50          2HD       LYS  50   1.727  -6.278  -5.087
  354   1HE   LYS  50          1HE       LYS  50   2.639  -4.763  -7.310
  355   2HE   LYS  50          2HE       LYS  50   3.819  -6.046  -7.126
  356   1HZ   LYS  50          1HZ       LYS  50   1.628  -7.432  -6.831
  357   2HZ   LYS  50          2HZ       LYS  50   1.009  -6.236  -7.754
  358   3HZ   LYS  50          3HZ       LYS  50   2.262  -7.127  -8.305
  359    HA   PRO  51           HA       PRO  51   3.990  -3.336   1.191
  360   1HB   PRO  51          1HB       PRO  51   4.090  -5.960   1.947
  361   2HB   PRO  51          2HB       PRO  51   2.661  -4.963   2.134
  362   1HG   PRO  51          1HG       PRO  51   3.195  -7.084   0.145
  363   2HG   PRO  51          2HG       PRO  51   1.659  -6.385   0.620
  364   1HD   PRO  51          1HD       PRO  51   3.128  -5.833  -1.782
  365   2HD   PRO  51          2HD       PRO  51   1.652  -5.050  -1.252
  366    H    LEU  52           H        LEU  52   6.008  -2.718   1.595
  367    HA   LEU  52           HA       LEU  52   8.111  -3.191   0.062
  368   1HB   LEU  52          1HB       LEU  52   8.289  -1.695   1.863
  369   2HB   LEU  52          2HB       LEU  52   7.934  -2.933   3.051
  370    HG   LEU  52           HG       LEU  52  10.454  -2.881   1.370
  371   1HD1  LEU  52          1HD1      LEU  52  10.138  -0.899   2.937
  372   2HD1  LEU  52          2HD1      LEU  52  10.256  -2.070   4.272
  373   3HD1  LEU  52          3HD1      LEU  52  11.619  -1.865   3.146
  374   1HD2  LEU  52          1HD2      LEU  52   9.293  -4.819   3.199
  375   2HD2  LEU  52          2HD2      LEU  52  10.678  -4.972   2.092
  376   3HD2  LEU  52          3HD2      LEU  52  10.912  -4.296   3.722
  377    H    GLN  53           H        GLN  53   9.378  -4.853  -0.615
  378    HA   GLN  53           HA       GLN  53   8.622  -7.447  -0.006
  379   1HB   GLN  53          1HB       GLN  53  10.803  -8.038  -1.213
  380   2HB   GLN  53          2HB       GLN  53   9.671  -7.047  -2.112
  381   1HG   GLN  53          1HG       GLN  53  11.586  -5.488  -0.452
  382   2HG   GLN  53          2HG       GLN  53  12.347  -6.436  -1.714
  383   2HE2  GLN  53          2HE2      GLN  53  11.129  -3.514  -1.012
  384   1HE2  GLN  53          1HE2      GLN  53  10.645  -2.942  -2.574
  385    H    GLU  54           H        GLU  54   8.628  -7.435   2.386
  386    HA   GLU  54           HA       GLU  54  10.773  -6.882   3.940
  387   1HB   GLU  54          1HB       GLU  54   9.649  -8.040   5.659
  388   2HB   GLU  54          2HB       GLU  54   8.353  -7.591   4.569
  389   1HG   GLU  54          1HG       GLU  54   8.762  -9.927   3.447
  390   2HG   GLU  54          2HG       GLU  54   9.667 -10.313   4.897
  391    H    ALA  55           H        ALA  55  12.845  -7.628   3.900
  392    HA   ALA  55           HA       ALA  55  13.337 -10.442   3.865
  393   1HB   ALA  55          1HB       ALA  55  13.610 -10.691   1.647
  394   2HB   ALA  55          2HB       ALA  55  13.368  -8.949   1.370
  395   3HB   ALA  55          3HB       ALA  55  14.991  -9.572   1.749
  396    H    GLU  56           H        GLU  56  15.970 -10.639   3.608
  397    HA   GLU  56           HA       GLU  56  16.986  -8.489   5.300
  398   1HB   GLU  56          1HB       GLU  56  16.749 -10.662   6.495
  399   2HB   GLU  56          2HB       GLU  56  17.775 -11.436   5.303
  400   1HG   GLU  56          1HG       GLU  56  18.953  -8.985   6.517
  401   2HG   GLU  56          2HG       GLU  56  18.677 -10.289   7.656
  402    H    CYS  57           H        CYS  57  17.839  -7.223   3.583
  403    HA   CYS  57           HA       CYS  57  19.854  -8.582   1.955
  404   1HB   CYS  57          1HB       CYS  57  18.193  -7.604   0.573
  405   2HB   CYS  57          2HB       CYS  57  18.212  -6.100   1.472
  406    H    THR  58           H        THR  58  19.625  -5.058   2.389
  407    HA   THR  58           HA       THR  58  22.067  -5.162   4.037
  408    HB   THR  58           HB       THR  58  22.606  -2.978   2.789
  409    HG1  THR  58           HG1      THR  58  20.570  -2.467   1.903
  410   1HG2  THR  58          1HG2      THR  58  22.258  -5.576   1.211
  411   2HG2  THR  58          2HG2      THR  58  23.052  -4.134   0.535
  412   3HG2  THR  58          3HG2      THR  58  23.755  -4.955   1.949
  413    H    PHE  59           H        PHE  59  22.350  -3.518   5.630
  414    HA   PHE  59           HA       PHE  59  20.327  -3.082   7.288
  415   1HB   PHE  59          1HB       PHE  59  21.740  -1.317   8.189
  416   2HB   PHE  59          2HB       PHE  59  22.845  -2.409   7.378
  417    HD1  PHE  59           HD1      PHE  59  23.487  -1.814   4.941
  418    HD2  PHE  59           HD2      PHE  59  21.733   0.947   7.644
  419    HE1  PHE  59           HE1      PHE  59  24.353   0.092   3.555
  420    HE2  PHE  59           HE2      PHE  59  22.599   2.853   6.258
  421    HZ   PHE  59           HZ       PHE  59  23.898   2.403   4.231

  No H/Q in entry =         421
  Start of MODEL   56
    1    H    GLU   1           H        GLU   1   8.855 -14.422  17.198
    2    HA   GLU   1           HA       GLU   1   7.926 -17.043  18.084
    3   1HB   GLU   1          1HB       GLU   1   8.952 -15.448  19.859
    4   2HB   GLU   1          2HB       GLU   1   7.515 -14.468  19.645
    5   1HG   GLU   1          1HG       GLU   1   6.826 -15.854  21.394
    6   2HG   GLU   1          2HG       GLU   1   6.221 -16.754  20.018
    7    H    GLU   2           H        GLU   2   6.980 -13.608  17.393
    8    HA   GLU   2           HA       GLU   2   4.476 -14.695  16.377
    9   1HB   GLU   2          1HB       GLU   2   3.255 -12.771  17.292
   10   2HB   GLU   2          2HB       GLU   2   4.070 -13.631  18.583
   11   1HG   GLU   2          1HG       GLU   2   5.530 -11.352  17.241
   12   2HG   GLU   2          2HG       GLU   2   4.239 -10.963  18.360
   13    H    TYR   3           H        TYR   3   3.318 -12.687  15.082
   14    HA   TYR   3           HA       TYR   3   5.303 -11.101  13.689
   15   1HB   TYR   3          1HB       TYR   3   4.741 -13.616  12.750
   16   2HB   TYR   3          2HB       TYR   3   3.339 -12.793  12.095
   17    HD1  TYR   3           HD1      TYR   3   7.074 -12.482  12.225
   18    HD2  TYR   3           HD2      TYR   3   3.489 -11.787   9.996
   19    HE1  TYR   3           HE1      TYR   3   8.453 -11.704  10.236
   20    HE2  TYR   3           HE2      TYR   3   4.880 -11.011   8.014
   21    HH   TYR   3           HH       TYR   3   8.382 -10.678   8.291
   22    H    VAL   4           H        VAL   4   4.392  -9.299  12.577
   23    HA   VAL   4           HA       VAL   4   1.651  -8.995  12.140
   24    HB   VAL   4           HB       VAL   4   1.768  -9.014  14.682
   25   1HG1  VAL   4          1HG1      VAL   4   3.752  -7.050  14.207
   26   2HG1  VAL   4          2HG1      VAL   4   2.368  -6.209  14.947
   27   3HG1  VAL   4          3HG1      VAL   4   3.107  -7.603  15.771
   28   1HG2  VAL   4          1HG2      VAL   4   0.027  -7.868  13.014
   29   2HG2  VAL   4          2HG2      VAL   4  -0.106  -7.704  14.782
   30   3HG2  VAL   4          3HG2      VAL   4   0.619  -6.395  13.818
   31    H    GLY   5           H        GLY   5   1.207  -6.433  11.879
   32   1HA   GLY   5          1HA       GLY   5   3.292  -5.538  10.088
   33   2HA   GLY   5          2HA       GLY   5   3.106  -4.550  11.523
   34    H    LEU   6           H        LEU   6   2.016  -5.074   8.342
   35    HA   LEU   6           HA       LEU   6   0.626  -3.726   7.184
   36   1HB   LEU   6          1HB       LEU   6  -1.730  -4.715   8.589
   37   2HB   LEU   6          2HB       LEU   6  -1.236  -4.911   6.919
   38    HG   LEU   6           HG       LEU   6   0.492  -6.628   7.963
   39   1HD1  LEU   6          1HD1      LEU   6  -1.419  -6.107  10.163
   40   2HD1  LEU   6          2HD1      LEU   6  -1.073  -7.818   9.817
   41   3HD1  LEU   6          3HD1      LEU   6   0.258  -6.701  10.203
   42   1HD2  LEU   6          1HD2      LEU   6  -1.233  -7.136   6.291
   43   2HD2  LEU   6          2HD2      LEU   6  -1.084  -8.427   7.507
   44   3HD2  LEU   6          3HD2      LEU   6  -2.444  -7.282   7.588
   45    H    SER   7           H        SER   7   1.234  -1.618   7.895
   46    HA   SER   7           HA       SER   7  -0.709   0.014   8.640
   47   1HB   SER   7          1HB       SER   7  -0.012   0.468  11.147
   48   2HB   SER   7          2HB       SER   7  -1.174  -0.791  10.777
   49    HG   SER   7           HG       SER   7   1.657  -1.130  11.288
   50    H    ALA   8           H        ALA   8   2.685  -0.942   8.884
   51    HA   ALA   8           HA       ALA   8   3.525   1.575   7.870
   52   1HB   ALA   8          1HB       ALA   8   3.314   1.371  10.692
   53   2HB   ALA   8          2HB       ALA   8   5.048   1.242  10.309
   54   3HB   ALA   8          3HB       ALA   8   4.115   2.652   9.751
   55    H    ASN   9           H        ASN   9   4.409  -1.467   9.614
   56    HA   ASN   9           HA       ASN   9   6.977  -1.628   8.654
   57   1HB   ASN   9          1HB       ASN   9   5.200  -3.240  10.186
   58   2HB   ASN   9          2HB       ASN   9   5.682  -4.263   8.848
   59   2HD2  ASN   9          2HD2      ASN   9   7.704  -5.051   8.708
   60   1HD2  ASN   9          1HD2      ASN   9   8.950  -4.818   9.888
   61    H    GLN  10           H        GLN  10   3.852  -3.038   7.431
   62    HA   GLN  10           HA       GLN  10   5.020  -4.277   5.220
   63   1HB   GLN  10          1HB       GLN  10   2.606  -4.457   6.428
   64   2HB   GLN  10          2HB       GLN  10   2.151  -3.398   5.108
   65   1HG   GLN  10          1HG       GLN  10   1.930  -5.305   3.878
   66   2HG   GLN  10          2HG       GLN  10   3.679  -5.291   3.780
   67   2HE2  GLN  10          2HE2      GLN  10   3.721  -7.532   3.625
   68   1HE2  GLN  10          1HE2      GLN  10   3.489  -8.575   4.989
   69    H    CYS  11           H        CYS  11   3.660  -1.021   5.812
   70    HA   CYS  11           HA       CYS  11   4.298  -0.358   3.032
   71   1HB   CYS  11          1HB       CYS  11   2.644   1.487   4.668
   72   2HB   CYS  11          2HB       CYS  11   2.578   1.128   2.954
   73    H    ALA  12           H        ALA  12   6.460  -0.619   4.738
   74    HA   ALA  12           HA       ALA  12   6.992   2.071   5.760
   75   1HB   ALA  12          1HB       ALA  12   9.134   0.414   6.419
   76   2HB   ALA  12          2HB       ALA  12   7.761   0.822   7.476
   77   3HB   ALA  12          3HB       ALA  12   7.725  -0.671   6.507
   78    H    VAL  13           H        VAL  13   6.819   1.801   2.939
   79    HA   VAL  13           HA       VAL  13   9.572   1.556   2.036
   80    HB   VAL  13           HB       VAL  13   7.525   2.370   0.109
   81   1HG1  VAL  13          1HG1      VAL  13   9.897   0.696   0.285
   82   2HG1  VAL  13          2HG1      VAL  13   8.572  -0.139  -0.562
   83   3HG1  VAL  13          3HG1      VAL  13   9.136   1.449  -1.137
   84   1HG2  VAL  13          1HG2      VAL  13   7.097  -0.074   1.827
   85   2HG2  VAL  13          2HG2      VAL  13   5.923   1.162   1.313
   86   3HG2  VAL  13          3HG2      VAL  13   6.538  -0.025   0.138
   87    HA   PRO  14           HA       PRO  14  10.192   5.830   1.955
   88   1HB   PRO  14          1HB       PRO  14  12.077   6.087  -0.007
   89   2HB   PRO  14          2HB       PRO  14  12.457   5.575   1.625
   90   1HG   PRO  14          1HG       PRO  14  12.299   3.948  -0.837
   91   2HG   PRO  14          2HG       PRO  14  13.073   3.561   0.686
   92   1HD   PRO  14          1HD       PRO  14  10.562   2.554  -0.268
   93   2HD   PRO  14          2HD       PRO  14  11.281   2.259   1.303
   94    H    ALA  15           H        ALA  15  10.174   4.743  -1.415
   95    HA   ALA  15           HA       ALA  15   7.823   5.697  -2.218
   96   1HB   ALA  15          1HB       ALA  15   9.587   7.941  -1.483
   97   2HB   ALA  15          2HB       ALA  15   7.827   7.910  -1.747
   98   3HB   ALA  15          3HB       ALA  15   8.932   8.063  -3.134
   99    H    LYS  16           H        LYS  16  11.282   5.324  -2.695
  100    HA   LYS  16           HA       LYS  16  10.954   5.259  -5.585
  101   1HB   LYS  16          1HB       LYS  16  13.366   5.184  -5.669
  102   2HB   LYS  16          2HB       LYS  16  12.858   6.486  -4.614
  103   1HG   LYS  16          1HG       LYS  16  14.526   5.476  -3.314
  104   2HG   LYS  16          2HG       LYS  16  13.088   4.694  -2.687
  105   1HD   LYS  16          1HD       LYS  16  13.860   2.662  -3.329
  106   2HD   LYS  16          2HD       LYS  16  13.986   3.198  -4.993
  107   1HE   LYS  16          1HE       LYS  16  16.251   3.546  -4.847
  108   2HE   LYS  16          2HE       LYS  16  16.139   4.270  -3.255
  109   1HZ   LYS  16          1HZ       LYS  16  15.941   1.387  -3.791
  110   2HZ   LYS  16          2HZ       LYS  16  17.273   2.148  -3.229
  111   3HZ   LYS  16          3HZ       LYS  16  15.919   2.089  -2.317
  112    H    ASP  17           H        ASP  17  10.258   3.231  -3.082
  113    HA   ASP  17           HA       ASP  17  11.152   0.914  -4.611
  114   1HB   ASP  17          1HB       ASP  17  11.261   1.559  -1.763
  115   2HB   ASP  17          2HB       ASP  17  10.319   0.102  -2.006
  116    H    ARG  18           H        ARG  18   8.607   2.849  -4.441
  117    HA   ARG  18           HA       ARG  18   6.571   1.115  -3.535
  118   1HB   ARG  18          1HB       ARG  18   6.197   3.537  -5.351
  119   2HB   ARG  18          2HB       ARG  18   5.047   2.878  -4.205
  120   1HG   ARG  18          1HG       ARG  18   7.719   4.168  -3.473
  121   2HG   ARG  18          2HG       ARG  18   6.154   4.942  -3.336
  122   1HD   ARG  18          1HD       ARG  18   5.468   2.968  -1.802
  123   2HD   ARG  18          2HD       ARG  18   7.163   2.525  -1.774
  124    HE   ARG  18           HE       ARG  18   7.508   4.249  -0.250
  125   1HH1  ARG  18          1HH1      ARG  18   4.693   5.048  -2.204
  126   2HH1  ARG  18          2HH1      ARG  18   4.355   6.515  -1.347
  127   1HH2  ARG  18          1HH2      ARG  18   7.063   6.184   0.882
  128   2HH2  ARG  18          2HH2      ARG  18   5.712   7.165   0.420
  129    H    VAL  19           H        VAL  19   6.139  -0.752  -4.693
  130    HA   VAL  19           HA       VAL  19   6.715  -0.995  -7.439
  131    HB   VAL  19           HB       VAL  19   4.826  -2.724  -5.855
  132   1HG1  VAL  19          1HG1      VAL  19   5.133  -3.170  -8.285
  133   2HG1  VAL  19          2HG1      VAL  19   6.871  -3.415  -7.991
  134   3HG1  VAL  19          3HG1      VAL  19   5.680  -4.511  -7.251
  135   1HG2  VAL  19          1HG2      VAL  19   7.552  -2.080  -5.177
  136   2HG2  VAL  19          2HG2      VAL  19   6.410  -3.166  -4.349
  137   3HG2  VAL  19          3HG2      VAL  19   7.441  -3.790  -5.659
  138    H    ASP  20           H        ASP  20   4.212   0.618  -5.755
  139    HA   ASP  20           HA       ASP  20   2.371   1.575  -6.379
  140   1HB   ASP  20          1HB       ASP  20   3.736   2.347  -8.334
  141   2HB   ASP  20          2HB       ASP  20   3.266   0.914  -9.226
  142    H    CYS  21           H        CYS  21   0.414   0.533  -5.984
  143    HA   CYS  21           HA       CYS  21   0.031  -2.122  -6.988
  144   1HB   CYS  21          1HB       CYS  21  -0.763  -0.780  -4.721
  145   2HB   CYS  21          2HB       CYS  21  -2.241  -0.819  -5.661
  146    H    GLY  22           H        GLY  22  -0.532   1.116  -8.033
  147   1HA   GLY  22          1HA       GLY  22  -1.709   0.394 -10.453
  148   2HA   GLY  22          2HA       GLY  22  -1.658   2.004  -9.762
  149    H    TYR  23           H        TYR  23  -3.300   2.400  -7.876
  150    HA   TYR  23           HA       TYR  23  -5.859   1.297  -8.778
  151   1HB   TYR  23          1HB       TYR  23  -4.523   0.442  -6.504
  152   2HB   TYR  23          2HB       TYR  23  -5.336   1.847  -5.844
  153    HD1  TYR  23           HD1      TYR  23  -6.413  -0.801  -8.286
  154    HD2  TYR  23           HD2      TYR  23  -7.154   1.182  -4.568
  155    HE1  TYR  23           HE1      TYR  23  -8.532  -2.169  -7.971
  156    HE2  TYR  23           HE2      TYR  23  -9.271  -0.192  -4.266
  157    HH   TYR  23           HH       TYR  23 -10.184  -2.649  -6.666
  158    HA   PRO  24           HA       PRO  24  -6.986   5.470  -8.476
  159   1HB   PRO  24          1HB       PRO  24  -9.702   5.241  -8.686
  160   2HB   PRO  24          2HB       PRO  24  -8.627   5.209 -10.070
  161   1HG   PRO  24          1HG       PRO  24 -10.053   2.965  -8.779
  162   2HG   PRO  24          2HG       PRO  24  -9.336   3.035 -10.376
  163   1HD   PRO  24          1HD       PRO  24  -8.255   1.724  -8.065
  164   2HD   PRO  24          2HD       PRO  24  -7.484   1.894  -9.630
  165    H    HIS  25           H        HIS  25  -9.767   4.042  -6.893
  166    HA   HIS  25           HA       HIS  25  -9.662   5.947  -4.848
  167   1HB   HIS  25          1HB       HIS  25 -11.677   5.133  -4.313
  168   2HB   HIS  25          2HB       HIS  25 -11.532   4.228  -5.807
  169    HD1  HIS  25           HD1      HIS  25 -12.326   3.732  -2.360
  170    HD2  HIS  25           HD2      HIS  25 -10.170   1.539  -5.212
  171    HE1  HIS  25           HE1      HIS  25 -12.224   1.335  -1.490
  172    HE2  HIS  25           HE2      HIS  25 -10.935   0.024  -3.311
  173    H    VAL  26           H        VAL  26  -7.744   6.051  -3.694
  174    HA   VAL  26           HA       VAL  26  -7.088   3.609  -2.199
  175    HB   VAL  26           HB       VAL  26  -4.714   4.366  -2.323
  176   1HG1  VAL  26          1HG1      VAL  26  -6.253   3.499  -4.765
  177   2HG1  VAL  26          2HG1      VAL  26  -4.490   3.728  -4.837
  178   3HG1  VAL  26          3HG1      VAL  26  -5.188   2.547  -3.703
  179   1HG2  VAL  26          1HG2      VAL  26  -5.330   6.751  -2.965
  180   2HG2  VAL  26          2HG2      VAL  26  -3.991   6.010  -3.876
  181   3HG2  VAL  26          3HG2      VAL  26  -5.607   6.136  -4.613
  182    H    THR  27           H        THR  27  -6.786   3.875   0.000
  183    HA   THR  27           HA       THR  27  -6.543   6.593   1.026
  184    HB   THR  27           HB       THR  27  -8.553   6.466   2.324
  185    HG1  THR  27           HG1      THR  27  -8.262   3.663   1.541
  186   1HG2  THR  27          1HG2      THR  27  -9.004   6.600  -0.232
  187   2HG2  THR  27          2HG2      THR  27  -9.359   4.858  -0.145
  188   3HG2  THR  27          3HG2      THR  27 -10.350   6.016   0.775
  189    HA   PRO  28           HA       PRO  28  -4.195   4.701   4.083
  190   1HB   PRO  28          1HB       PRO  28  -4.798   6.035   6.391
  191   2HB   PRO  28          2HB       PRO  28  -3.741   6.688   5.155
  192   1HG   PRO  28          1HG       PRO  28  -6.534   7.425   5.782
  193   2HG   PRO  28          2HG       PRO  28  -5.340   8.325   4.868
  194   1HD   PRO  28          1HD       PRO  28  -7.543   6.828   3.805
  195   2HD   PRO  28          2HD       PRO  28  -6.283   7.631   2.890
  196    H    LYS  29           H        LYS  29  -6.589   3.287   3.449
  197    HA   LYS  29           HA       LYS  29  -6.484   1.390   5.468
  198   1HB   LYS  29          1HB       LYS  29  -7.703   3.401   6.627
  199   2HB   LYS  29          2HB       LYS  29  -9.090   2.876   5.694
  200   1HG   LYS  29          1HG       LYS  29  -7.489   0.871   7.321
  201   2HG   LYS  29          2HG       LYS  29  -8.707   1.865   8.094
  202   1HD   LYS  29          1HD       LYS  29 -10.060   0.951   5.839
  203   2HD   LYS  29          2HD       LYS  29  -9.043  -0.421   6.231
  204   1HE   LYS  29          1HE       LYS  29 -10.994  -0.812   7.517
  205   2HE   LYS  29          2HE       LYS  29  -9.882  -0.123   8.683
  206   1HZ   LYS  29          1HZ       LYS  29 -10.988   2.068   7.801
  207   2HZ   LYS  29          2HZ       LYS  29 -12.234   1.056   7.497
  208   3HZ   LYS  29          3HZ       LYS  29 -11.650   1.199   9.015
  209    H    GLU  30           H        GLU  30  -8.681   3.052   3.119
  210    HA   GLU  30           HA       GLU  30  -9.957   0.676   2.383
  211   1HB   GLU  30          1HB       GLU  30 -10.525   3.279   2.011
  212   2HB   GLU  30          2HB       GLU  30  -9.761   2.984   0.462
  213   1HG   GLU  30          1HG       GLU  30 -12.072   2.513   0.094
  214   2HG   GLU  30          2HG       GLU  30 -11.315   0.937   0.225
  215    H    CYS  31           H        CYS  31  -6.948   2.272   1.406
  216    HA   CYS  31           HA       CYS  31  -6.703   0.731  -0.994
  217   1HB   CYS  31          1HB       CYS  31  -5.654   2.736  -1.267
  218   2HB   CYS  31          2HB       CYS  31  -5.118   2.826   0.399
  219    H    ASN  32           H        ASN  32  -5.839   0.550   2.441
  220    HA   ASN  32           HA       ASN  32  -3.979  -1.585   1.945
  221   1HB   ASN  32          1HB       ASN  32  -4.976  -0.704   4.685
  222   2HB   ASN  32          2HB       ASN  32  -3.423  -1.407   4.276
  223   2HD2  ASN  32          2HD2      ASN  32  -1.888   0.003   4.594
  224   1HD2  ASN  32          1HD2      ASN  32  -1.881   1.673   4.135
  225    H    ASN  33           H        ASN  33  -7.265  -1.315   1.897
  226    HA   ASN  33           HA       ASN  33  -7.741  -3.691   3.494
  227   1HB   ASN  33          1HB       ASN  33  -9.208  -1.646   3.828
  228   2HB   ASN  33          2HB       ASN  33  -9.741  -1.786   2.164
  229   2HD2  ASN  33          2HD2      ASN  33 -11.807  -2.314   2.361
  230   1HD2  ASN  33          1HD2      ASN  33 -12.437  -3.705   3.178
  231    H    ARG  34           H        ARG  34  -7.931  -2.229   0.218
  232    HA   ARG  34           HA       ARG  34  -9.389  -4.222  -1.000
  233   1HB   ARG  34          1HB       ARG  34  -8.643  -1.873  -1.878
  234   2HB   ARG  34          2HB       ARG  34  -7.158  -2.662  -2.373
  235   1HG   ARG  34          1HG       ARG  34  -9.912  -3.678  -3.202
  236   2HG   ARG  34          2HG       ARG  34  -9.010  -2.515  -4.153
  237   1HD   ARG  34          1HD       ARG  34  -7.146  -4.579  -3.589
  238   2HD   ARG  34          2HD       ARG  34  -8.642  -5.417  -3.952
  239    HE   ARG  34           HE       ARG  34  -8.507  -3.529  -5.962
  240   1HH1  ARG  34          1HH1      ARG  34  -6.250  -5.950  -4.769
  241   2HH1  ARG  34          2HH1      ARG  34  -5.478  -6.172  -6.304
  242   1HH2  ARG  34          1HH2      ARG  34  -7.489  -3.820  -7.987
  243   2HH2  ARG  34          2HH2      ARG  34  -6.188  -4.952  -8.147
  244    H    GLY  35           H        GLY  35  -6.011  -4.037   0.025
  245   1HA   GLY  35          1HA       GLY  35  -5.483  -6.630  -1.304
  246   2HA   GLY  35          2HA       GLY  35  -4.997  -6.259   0.339
  247    H    CYS  36           H        CYS  36  -3.598  -4.170   0.590
  248    HA   CYS  36           HA       CYS  36  -1.265  -4.516  -0.794
  249   1HB   CYS  36          1HB       CYS  36  -3.078  -3.278  -2.493
  250   2HB   CYS  36          2HB       CYS  36  -2.133  -1.943  -1.866
  251    H    CYS  37           H        CYS  37  -0.540  -1.606  -0.867
  252    HA   CYS  37           HA       CYS  37  -0.948  -0.970   1.963
  253   1HB   CYS  37          1HB       CYS  37   1.573  -1.256   0.429
  254   2HB   CYS  37          2HB       CYS  37   1.473   0.129   1.499
  255    H    PHE  38           H        PHE  38  -0.848   1.397   2.408
  256    HA   PHE  38           HA       PHE  38  -1.383   2.960  -0.022
  257   1HB   PHE  38          1HB       PHE  38  -3.420   2.588   1.348
  258   2HB   PHE  38          2HB       PHE  38  -2.555   2.986   2.819
  259    HD1  PHE  38           HD1      PHE  38  -4.120   4.351  -0.200
  260    HD2  PHE  38           HD2      PHE  38  -2.135   5.288   3.432
  261    HE1  PHE  38           HE1      PHE  38  -4.849   6.743  -0.419
  262    HE2  PHE  38           HE2      PHE  38  -2.864   7.680   3.213
  263    HZ   PHE  38           HZ       PHE  38  -4.211   8.379   1.290
  264    H    ASP  39           H        ASP  39  -1.228   5.470   0.615
  265    HA   ASP  39           HA       ASP  39   0.469   6.219   2.645
  266   1HB   ASP  39          1HB       ASP  39   2.276   5.058   1.531
  267   2HB   ASP  39          2HB       ASP  39   1.804   5.681  -0.037
  268    H    SER  40           H        SER  40   0.622   8.563   2.648
  269    HA   SER  40           HA       SER  40  -0.345   9.857   0.234
  270   1HB   SER  40          1HB       SER  40  -1.850  11.298   1.539
  271   2HB   SER  40          2HB       SER  40  -2.279   9.615   1.766
  272    HG   SER  40           HG       SER  40  -0.576  11.087   3.588
  273    H    ARG  41           H        ARG  41   2.266   9.424   1.930
  274    HA   ARG  41           HA       ARG  41   2.901  11.850   3.086
  275   1HB   ARG  41          1HB       ARG  41   4.104   9.421   2.990
  276   2HB   ARG  41          2HB       ARG  41   5.065  10.219   1.761
  277   1HG   ARG  41          1HG       ARG  41   4.633  11.795   4.265
  278   2HG   ARG  41          2HG       ARG  41   5.603  10.347   4.452
  279   1HD   ARG  41          1HD       ARG  41   6.179  12.300   2.193
  280   2HD   ARG  41          2HD       ARG  41   6.799  12.601   3.804
  281    HE   ARG  41           HE       ARG  41   7.345   9.882   2.865
  282   1HH1  ARG  41          1HH1      ARG  41   8.489  13.210   2.854
  283   2HH1  ARG  41          2HH1      ARG  41  10.137  12.777   2.544
  284   1HH2  ARG  41          1HH2      ARG  41   9.519   9.310   2.455
  285   2HH2  ARG  41          2HH2      ARG  41  10.727  10.543   2.315
  286    H    ILE  42           H        ILE  42   3.256  10.568  -0.261
  287    HA   ILE  42           HA       ILE  42   3.545  13.272  -1.223
  288    HB   ILE  42           HB       ILE  42   5.544  12.114  -2.661
  289   1HG1  ILE  42          1HG1      ILE  42   7.110  11.103  -1.032
  290   2HG1  ILE  42          2HG1      ILE  42   5.855  11.129   0.191
  291   1HG2  ILE  42          1HG2      ILE  42   5.240  14.369  -1.300
  292   2HG2  ILE  42          2HG2      ILE  42   6.297  13.528  -0.141
  293   3HG2  ILE  42          3HG2      ILE  42   6.842  13.790  -1.816
  294   1HD1  ILE  42          1HD1      ILE  42   5.132   9.857  -2.428
  295   2HD1  ILE  42          2HD1      ILE  42   6.288   8.982  -1.395
  296   3HD1  ILE  42          3HD1      ILE  42   4.672   9.391  -0.772
  297    HA   PRO  43           HA       PRO  43   1.060  11.308  -4.189
  298   1HB   PRO  43          1HB       PRO  43   0.603  13.460  -5.810
  299   2HB   PRO  43          2HB       PRO  43  -0.317  13.147  -4.352
  300   1HG   PRO  43          1HG       PRO  43   1.798  15.161  -4.812
  301   2HG   PRO  43          2HG       PRO  43   0.593  15.105  -3.541
  302   1HD   PRO  43          1HD       PRO  43   3.369  14.422  -3.305
  303   2HD   PRO  43          2HD       PRO  43   2.140  14.257  -2.067
  304    H    GLY  44           H        GLY  44   3.938  13.048  -5.011
  305   1HA   GLY  44          1HA       GLY  44   5.544  12.542  -6.509
  306   2HA   GLY  44          2HA       GLY  44   4.229  12.512  -7.667
  307    H    VAL  45           H        VAL  45   4.335  10.229  -4.932
  308    HA   VAL  45           HA       VAL  45   5.230   8.133  -6.777
  309    HB   VAL  45           HB       VAL  45   6.200   7.080  -5.024
  310   1HG1  VAL  45          1HG1      VAL  45   6.094   9.986  -4.171
  311   2HG1  VAL  45          2HG1      VAL  45   7.123   8.773  -3.371
  312   3HG1  VAL  45          3HG1      VAL  45   7.369   9.152  -5.093
  313   1HG2  VAL  45          1HG2      VAL  45   3.897   8.135  -3.422
  314   2HG2  VAL  45          2HG2      VAL  45   4.509   6.471  -3.588
  315   3HG2  VAL  45          3HG2      VAL  45   5.380   7.642  -2.569
  316    HA   PRO  46           HA       PRO  46   1.396   6.146  -6.509
  317   1HB   PRO  46          1HB       PRO  46   1.954   3.495  -6.147
  318   2HB   PRO  46          2HB       PRO  46   2.099   4.302  -7.696
  319   1HG   PRO  46          1HG       PRO  46   4.239   3.453  -5.841
  320   2HG   PRO  46          2HG       PRO  46   4.358   3.861  -7.542
  321   1HD   PRO  46          1HD       PRO  46   5.137   5.504  -5.324
  322   2HD   PRO  46          2HD       PRO  46   5.148   5.955  -7.017
  323    H    TRP  47           H        TRP  47   0.520   7.260  -4.728
  324    HA   TRP  47           HA       TRP  47   0.884   6.911  -2.157
  325   1HB   TRP  47          1HB       TRP  47  -1.596   7.230  -3.768
  326   2HB   TRP  47          2HB       TRP  47  -1.787   6.843  -2.069
  327    HD1  TRP  47           HD1      TRP  47   1.121   9.127  -3.145
  328    HE1  TRP  47           HE1      TRP  47   0.792  11.586  -2.246
  329    HE3  TRP  47           HE3      TRP  47  -3.606   8.420  -1.408
  330    HZ2  TRP  47           HZ2      TRP  47  -1.360  12.930  -0.939
  331    HZ3  TRP  47           HZ3      TRP  47  -4.750  10.357  -0.334
  332    HH2  TRP  47           HH2      TRP  47  -3.704  12.552  -0.086
  333    H    CYS  48           H        CYS  48  -1.164   4.652  -4.147
  334    HA   CYS  48           HA       CYS  48  -1.027   2.734  -1.976
  335   1HB   CYS  48          1HB       CYS  48  -3.148   3.361  -3.313
  336   2HB   CYS  48          2HB       CYS  48  -2.485   2.350  -4.581
  337    H    PHE  49           H        PHE  49   0.798   1.461  -1.962
  338    HA   PHE  49           HA       PHE  49   1.682   0.420  -4.555
  339   1HB   PHE  49          1HB       PHE  49   4.034   0.603  -3.425
  340   2HB   PHE  49          2HB       PHE  49   3.308   2.113  -3.939
  341    HD1  PHE  49           HD1      PHE  49   3.487  -0.092  -0.932
  342    HD2  PHE  49           HD2      PHE  49   3.229   3.867  -2.438
  343    HE1  PHE  49           HE1      PHE  49   3.710   0.809   1.400
  344    HE2  PHE  49           HE2      PHE  49   3.452   4.768  -0.106
  345    HZ   PHE  49           HZ       PHE  49   3.690   3.228   1.785
  346    H    LYS  50           H        LYS  50   3.140  -1.573  -4.254
  347    HA   LYS  50           HA       LYS  50   1.749  -3.441  -2.692
  348   1HB   LYS  50          1HB       LYS  50   4.414  -3.586  -4.128
  349   2HB   LYS  50          2HB       LYS  50   3.631  -4.962  -3.378
  350   1HG   LYS  50          1HG       LYS  50   1.532  -4.060  -4.842
  351   2HG   LYS  50          2HG       LYS  50   2.829  -3.422  -5.833
  352   1HD   LYS  50          1HD       LYS  50   3.680  -6.039  -5.256
  353   2HD   LYS  50          2HD       LYS  50   1.950  -6.214  -5.476
  354   1HE   LYS  50          1HE       LYS  50   2.785  -4.469  -7.559
  355   2HE   LYS  50          2HE       LYS  50   4.020  -5.710  -7.482
  356   1HZ   LYS  50          1HZ       LYS  50   2.067  -7.301  -7.416
  357   2HZ   LYS  50          2HZ       LYS  50   1.155  -6.049  -7.935
  358   3HZ   LYS  50          3HZ       LYS  50   2.402  -6.583  -8.844
  359    HA   PRO  51           HA       PRO  51   3.820  -3.274   1.089
  360   1HB   PRO  51          1HB       PRO  51   3.855  -5.876   1.922
  361   2HB   PRO  51          2HB       PRO  51   2.438  -4.852   2.037
  362   1HG   PRO  51          1HG       PRO  51   2.996  -7.038   0.125
  363   2HG   PRO  51          2HG       PRO  51   1.458  -6.302   0.533
  364   1HD   PRO  51          1HD       PRO  51   3.006  -5.841  -1.837
  365   2HD   PRO  51          2HD       PRO  51   1.529  -5.020  -1.374
  366    H    LEU  52           H        LEU  52   5.832  -2.747   1.649
  367    HA   LEU  52           HA       LEU  52   7.981  -3.252   0.166
  368   1HB   LEU  52          1HB       LEU  52   8.304  -1.765   1.874
  369   2HB   LEU  52          2HB       LEU  52   7.587  -2.810   3.085
  370    HG   LEU  52           HG       LEU  52  10.267  -3.389   1.807
  371   1HD1  LEU  52          1HD1      LEU  52   9.701  -1.856   4.359
  372   2HD1  LEU  52          2HD1      LEU  52  11.300  -2.432   3.831
  373   3HD1  LEU  52          3HD1      LEU  52  10.429  -1.215   2.867
  374   1HD2  LEU  52          1HD2      LEU  52   8.558  -4.796   3.664
  375   2HD2  LEU  52          2HD2      LEU  52  10.069  -5.320   2.882
  376   3HD2  LEU  52          3HD2      LEU  52  10.126  -4.415   4.414
  377    H    GLN  53           H        GLN  53   9.285  -4.930  -0.414
  378    HA   GLN  53           HA       GLN  53   8.440  -7.511   0.174
  379   1HB   GLN  53          1HB       GLN  53  10.699  -8.126  -0.922
  380   2HB   GLN  53          2HB       GLN  53   9.560  -7.212  -1.890
  381   1HG   GLN  53          1HG       GLN  53  11.423  -5.560  -0.239
  382   2HG   GLN  53          2HG       GLN  53  12.190  -6.494  -1.509
  383   2HE2  GLN  53          2HE2      GLN  53  10.779  -3.627  -0.767
  384   1HE2  GLN  53          1HE2      GLN  53  10.302  -3.065  -2.335
  385    H    GLU  54           H        GLU  54   8.364  -7.466   2.567
  386    HA   GLU  54           HA       GLU  54  10.523  -6.961   4.154
  387   1HB   GLU  54          1HB       GLU  54   9.325  -8.117   5.894
  388   2HB   GLU  54          2HB       GLU  54   8.123  -7.356   4.871
  389   1HG   GLU  54          1HG       GLU  54   8.268  -9.733   3.585
  390   2HG   GLU  54          2HG       GLU  54   8.798 -10.275   5.165
  391    H    ALA  55           H        ALA  55  12.551  -7.811   3.894
  392    HA   ALA  55           HA       ALA  55  12.765 -10.714   3.922
  393   1HB   ALA  55          1HB       ALA  55  14.302 -10.730   2.030
  394   2HB   ALA  55          2HB       ALA  55  12.761  -9.997   1.525
  395   3HB   ALA  55          3HB       ALA  55  14.169  -8.962   1.865
  396    H    GLU  56           H        GLU  56  13.098  -8.832   6.033
  397    HA   GLU  56           HA       GLU  56  14.524  -8.068   7.496
  398   1HB   GLU  56          1HB       GLU  56  15.552 -10.729   6.667
  399   2HB   GLU  56          2HB       GLU  56  16.728  -9.740   7.510
  400   1HG   GLU  56          1HG       GLU  56  14.264  -9.439   8.934
  401   2HG   GLU  56          2HG       GLU  56  14.423 -11.150   8.590
  402    H    CYS  57           H        CYS  57  15.225  -6.047   6.789
  403    HA   CYS  57           HA       CYS  57  17.148  -5.823   4.713
  404   1HB   CYS  57          1HB       CYS  57  16.554  -3.574   6.590
  405   2HB   CYS  57          2HB       CYS  57  16.859  -3.543   4.865
  406    H    THR  58           H        THR  58  17.209  -4.688   8.177
  407    HA   THR  58           HA       THR  58  18.886  -4.474   9.627
  408    HB   THR  58           HB       THR  58  18.586  -7.036   9.349
  409    HG1  THR  58           HG1      THR  58  20.141  -7.034  10.950
  410   1HG2  THR  58          1HG2      THR  58  20.910  -6.471   7.509
  411   2HG2  THR  58          2HG2      THR  58  21.037  -7.885   8.584
  412   3HG2  THR  58          3HG2      THR  58  19.695  -7.769   7.421
  413    H    PHE  59           H        PHE  59  21.242  -4.055   9.971
  414    HA   PHE  59           HA       PHE  59  22.844  -2.604   9.381
  415   1HB   PHE  59          1HB       PHE  59  22.936  -5.138   7.754
  416   2HB   PHE  59          2HB       PHE  59  23.999  -3.869   7.178
  417    HD1  PHE  59           HD1      PHE  59  23.119  -5.723  10.288
  418    HD2  PHE  59           HD2      PHE  59  26.105  -3.623   8.124
  419    HE1  PHE  59           HE1      PHE  59  24.823  -6.366  12.015
  420    HE2  PHE  59           HE2      PHE  59  27.809  -4.267   9.851
  421    HZ   PHE  59           HZ       PHE  59  27.147  -5.631  11.776

  No H/Q in entry =         421
  Start of MODEL   57
    1    H    GLU   1           H        GLU   1  13.796  -7.939  10.579
    2    HA   GLU   1           HA       GLU   1  15.626  -8.454  11.834
    3   1HB   GLU   1          1HB       GLU   1  15.406  -5.572  12.743
    4   2HB   GLU   1          2HB       GLU   1  16.335  -6.721  13.685
    5   1HG   GLU   1          1HG       GLU   1  17.075  -7.104  10.935
    6   2HG   GLU   1          2HG       GLU   1  17.082  -5.376  11.228
    7    H    GLU   2           H        GLU   2  12.808  -8.961  12.084
    8    HA   GLU   2           HA       GLU   2  12.685 -10.155  14.491
    9   1HB   GLU   2          1HB       GLU   2  12.332  -7.329  14.845
   10   2HB   GLU   2          2HB       GLU   2  10.775  -8.081  15.129
   11   1HG   GLU   2          1HG       GLU   2  11.667  -9.524  16.848
   12   2HG   GLU   2          2HG       GLU   2  13.322  -9.169  16.395
   13    H    TYR   3           H        TYR   3  10.405 -10.955  15.013
   14    HA   TYR   3           HA       TYR   3   9.086 -11.558  12.568
   15   1HB   TYR   3          1HB       TYR   3   9.265 -13.108  14.520
   16   2HB   TYR   3          2HB       TYR   3   8.524 -11.920  15.574
   17    HD1  TYR   3           HD1      TYR   3   7.629 -13.481  12.269
   18    HD2  TYR   3           HD2      TYR   3   6.387 -12.495  16.243
   19    HE1  TYR   3           HE1      TYR   3   5.342 -14.495  11.814
   20    HE2  TYR   3           HE2      TYR   3   4.105 -13.512  15.774
   21    HH   TYR   3           HH       TYR   3   3.068 -15.026  14.356
   22    H    VAL   4           H        VAL   4   8.304  -9.605  11.642
   23    HA   VAL   4           HA       VAL   4   5.816  -8.740  12.812
   24    HB   VAL   4           HB       VAL   4   8.214  -6.934  12.539
   25   1HG1  VAL   4          1HG1      VAL   4   5.397  -6.311  12.042
   26   2HG1  VAL   4          2HG1      VAL   4   6.110  -5.311  13.331
   27   3HG1  VAL   4          3HG1      VAL   4   6.859  -5.349  11.716
   28   1HG2  VAL   4          1HG2      VAL   4   6.436  -7.853  14.773
   29   2HG2  VAL   4          2HG2      VAL   4   8.206  -7.674  14.721
   30   3HG2  VAL   4          3HG2      VAL   4   7.170  -6.234  14.863
   31    H    GLY   5           H        GLY   5   4.354  -8.482  11.191
   32   1HA   GLY   5          1HA       GLY   5   4.163  -9.176   8.815
   33   2HA   GLY   5          2HA       GLY   5   5.437  -8.023   8.474
   34    H    LEU   6           H        LEU   6   3.668  -6.723  11.030
   35    HA   LEU   6           HA       LEU   6   1.815  -5.374   9.195
   36   1HB   LEU   6          1HB       LEU   6   0.568  -4.830  11.312
   37   2HB   LEU   6          2HB       LEU   6   0.535  -6.499  10.777
   38    HG   LEU   6           HG       LEU   6   0.801  -6.115  13.261
   39   1HD1  LEU   6          1HD1      LEU   6   2.159  -7.982  11.519
   40   2HD1  LEU   6          2HD1      LEU   6   3.083  -7.721  13.018
   41   3HD1  LEU   6          3HD1      LEU   6   1.386  -8.250  13.100
   42   1HD2  LEU   6          1HD2      LEU   6   2.403  -4.213  13.038
   43   2HD2  LEU   6          2HD2      LEU   6   2.929  -5.486  14.165
   44   3HD2  LEU   6          3HD2      LEU   6   3.650  -5.382  12.541
   45    H    SER   7           H        SER   7   1.227  -3.061  10.358
   46    HA   SER   7           HA       SER   7   1.917  -1.087  11.001
   47   1HB   SER   7          1HB       SER   7   3.759  -0.775  12.383
   48   2HB   SER   7          2HB       SER   7   3.522  -2.502  12.565
   49    HG   SER   7           HG       SER   7   5.590  -2.592  11.981
   50    H    ALA   8           H        ALA   8   4.465   0.243  10.494
   51    HA   ALA   8           HA       ALA   8   4.173   0.767   7.760
   52   1HB   ALA   8          1HB       ALA   8   5.248   2.072   9.857
   53   2HB   ALA   8          2HB       ALA   8   5.688   2.444   8.173
   54   3HB   ALA   8          3HB       ALA   8   6.741   1.400   9.158
   55    H    ASN   9           H        ASN   9   6.276  -1.439   9.635
   56    HA   ASN   9           HA       ASN   9   8.272  -2.018   8.065
   57   1HB   ASN   9          1HB       ASN   9   7.759  -3.341  10.080
   58   2HB   ASN   9          2HB       ASN   9   6.339  -4.032   9.321
   59   2HD2  ASN   9          2HD2      ASN   9   6.564  -5.497   7.595
   60   1HD2  ASN   9          1HD2      ASN   9   8.009  -6.421   7.355
   61    H    GLN  10           H        GLN  10   4.826  -2.645   7.378
   62    HA   GLN  10           HA       GLN  10   5.463  -4.227   5.069
   63   1HB   GLN  10          1HB       GLN  10   3.428  -4.490   6.722
   64   2HB   GLN  10          2HB       GLN  10   2.696  -3.213   5.771
   65   1HG   GLN  10          1HG       GLN  10   2.103  -4.729   4.197
   66   2HG   GLN  10          2HG       GLN  10   3.795  -5.075   3.896
   67   2HE2  GLN  10          2HE2      GLN  10   0.989  -5.895   5.853
   68   1HE2  GLN  10          1HE2      GLN  10   1.461  -7.505   6.284
   69    H    CYS  11           H        CYS  11   3.971  -1.022   5.859
   70    HA   CYS  11           HA       CYS  11   4.343  -0.314   3.041
   71   1HB   CYS  11          1HB       CYS  11   2.626   1.350   4.810
   72   2HB   CYS  11          2HB       CYS  11   2.489   1.011   3.096
   73    H    ALA  12           H        ALA  12   6.641  -0.341   4.568
   74    HA   ALA  12           HA       ALA  12   6.991   2.475   5.339
   75   1HB   ALA  12          1HB       ALA  12   9.020   1.413   6.599
   76   2HB   ALA  12          2HB       ALA  12   7.387   1.220   7.282
   77   3HB   ALA  12          3HB       ALA  12   8.139  -0.119   6.382
   78    H    VAL  13           H        VAL  13   7.006   2.097   2.661
   79    HA   VAL  13           HA       VAL  13   9.729   1.487   1.854
   80    HB   VAL  13           HB       VAL  13   7.770   2.476  -0.115
   81   1HG1  VAL  13          1HG1      VAL  13   9.997   0.566   0.085
   82   2HG1  VAL  13          2HG1      VAL  13   8.632  -0.023  -0.893
   83   3HG1  VAL  13          3HG1      VAL  13   9.421   1.519  -1.304
   84   1HG2  VAL  13          1HG2      VAL  13   7.215   0.056   1.599
   85   2HG2  VAL  13          2HG2      VAL  13   6.109   1.355   1.092
   86   3HG2  VAL  13          3HG2      VAL  13   6.654   0.138  -0.088
   87    HA   PRO  14           HA       PRO  14  10.881   5.649   1.690
   88   1HB   PRO  14          1HB       PRO  14  12.934   5.563  -0.113
   89   2HB   PRO  14          2HB       PRO  14  13.114   5.101   1.568
   90   1HG   PRO  14          1HG       PRO  14  12.948   3.369  -0.822
   91   2HG   PRO  14          2HG       PRO  14  13.543   2.976   0.778
   92   1HD   PRO  14          1HD       PRO  14  11.009   2.232  -0.341
   93   2HD   PRO  14          2HD       PRO  14  11.557   1.940   1.298
   94    H    ALA  15           H        ALA  15   9.145   4.231  -0.635
   95    HA   ALA  15           HA       ALA  15   7.715   5.256  -2.045
   96   1HB   ALA  15          1HB       ALA  15   9.280   7.777  -2.336
   97   2HB   ALA  15          2HB       ALA  15   7.528   7.533  -2.137
   98   3HB   ALA  15          3HB       ALA  15   8.604   7.451  -0.722
   99    H    LYS  16           H        LYS  16  11.231   5.272  -2.305
  100    HA   LYS  16           HA       LYS  16  11.115   5.388  -5.200
  101   1HB   LYS  16          1HB       LYS  16  13.536   5.432  -5.087
  102   2HB   LYS  16          2HB       LYS  16  12.861   6.632  -4.004
  103   1HG   LYS  16          1HG       LYS  16  14.511   5.605  -2.666
  104   2HG   LYS  16          2HG       LYS  16  13.046   4.791  -2.154
  105   1HD   LYS  16          1HD       LYS  16  13.711   2.773  -3.012
  106   2HD   LYS  16          2HD       LYS  16  14.333   3.491  -4.484
  107   1HE   LYS  16          1HE       LYS  16  16.389   2.977  -3.617
  108   2HE   LYS  16          2HE       LYS  16  16.173   4.431  -2.663
  109   1HZ   LYS  16          1HZ       LYS  16  14.896   2.742  -1.147
  110   2HZ   LYS  16          2HZ       LYS  16  15.905   1.672  -1.857
  111   3HZ   LYS  16          3HZ       LYS  16  16.512   2.943  -1.032
  112    H    ASP  17           H        ASP  17  10.115   3.133  -3.167
  113    HA   ASP  17           HA       ASP  17  11.247   1.019  -4.813
  114   1HB   ASP  17          1HB       ASP  17  11.600   1.378  -1.985
  115   2HB   ASP  17          2HB       ASP  17  10.506   0.024  -2.185
  116    H    ARG  18           H        ARG  18   8.660   2.737  -4.624
  117    HA   ARG  18           HA       ARG  18   6.691   0.967  -3.654
  118   1HB   ARG  18          1HB       ARG  18   6.229   3.288  -5.579
  119   2HB   ARG  18          2HB       ARG  18   5.104   2.639  -4.403
  120   1HG   ARG  18          1HG       ARG  18   7.760   3.765  -3.471
  121   2HG   ARG  18          2HG       ARG  18   6.447   4.858  -3.861
  122   1HD   ARG  18          1HD       ARG  18   5.172   2.936  -2.283
  123   2HD   ARG  18          2HD       ARG  18   6.754   3.042  -1.538
  124    HE   ARG  18           HE       ARG  18   5.469   5.635  -2.132
  125   1HH1  ARG  18          1HH1      ARG  18   6.072   3.123   0.258
  126   2HH1  ARG  18          2HH1      ARG  18   5.728   4.149   1.611
  127   1HH2  ARG  18          1HH2      ARG  18   5.014   6.988  -0.348
  128   2HH2  ARG  18          2HH2      ARG  18   5.122   6.362   1.264
  129    H    VAL  19           H        VAL  19   5.666  -0.696  -4.753
  130    HA   VAL  19           HA       VAL  19   6.457  -1.132  -7.504
  131    HB   VAL  19           HB       VAL  19   4.790  -2.808  -5.616
  132   1HG1  VAL  19          1HG1      VAL  19   6.119  -3.448  -8.269
  133   2HG1  VAL  19          2HG1      VAL  19   5.437  -4.666  -7.165
  134   3HG1  VAL  19          3HG1      VAL  19   4.377  -3.442  -7.905
  135   1HG2  VAL  19          1HG2      VAL  19   7.315  -2.198  -5.078
  136   2HG2  VAL  19          2HG2      VAL  19   6.685  -3.845  -4.834
  137   3HG2  VAL  19          3HG2      VAL  19   7.634  -3.462  -6.290
  138    H    ASP  20           H        ASP  20   4.126   0.683  -5.944
  139    HA   ASP  20           HA       ASP  20   2.084   1.336  -6.398
  140   1HB   ASP  20          1HB       ASP  20   3.151   2.668  -8.058
  141   2HB   ASP  20          2HB       ASP  20   3.478   1.289  -9.089
  142    H    CYS  21           H        CYS  21   0.742  -0.496  -5.848
  143    HA   CYS  21           HA       CYS  21   0.462  -2.712  -7.546
  144   1HB   CYS  21          1HB       CYS  21  -1.819  -2.707  -6.029
  145   2HB   CYS  21          2HB       CYS  21  -0.290  -3.444  -5.594
  146    H    GLY  22           H        GLY  22  -0.686   0.551  -7.649
  147   1HA   GLY  22          1HA       GLY  22  -2.144   0.102 -10.054
  148   2HA   GLY  22          2HA       GLY  22  -1.968   1.608  -9.176
  149    H    TYR  23           H        TYR  23  -3.643   2.363  -7.882
  150    HA   TYR  23           HA       TYR  23  -6.053   0.714  -7.904
  151   1HB   TYR  23          1HB       TYR  23  -4.426   1.839  -5.582
  152   2HB   TYR  23          2HB       TYR  23  -6.169   1.796  -5.404
  153    HD1  TYR  23           HD1      TYR  23  -7.350  -0.481  -5.706
  154    HD2  TYR  23           HD2      TYR  23  -3.127  -0.079  -5.148
  155    HE1  TYR  23           HE1      TYR  23  -7.208  -2.911  -4.974
  156    HE2  TYR  23           HE2      TYR  23  -3.000  -2.511  -4.418
  157    HH   TYR  23           HH       TYR  23  -5.269  -4.179  -3.311
  158    HA   PRO  24           HA       PRO  24  -7.805   4.572  -8.801
  159   1HB   PRO  24          1HB       PRO  24 -10.451   4.000  -8.427
  160   2HB   PRO  24          2HB       PRO  24  -9.579   3.587  -9.890
  161   1HG   PRO  24          1HG       PRO  24 -10.440   1.818  -7.684
  162   2HG   PRO  24          2HG       PRO  24  -9.961   1.387  -9.313
  163   1HD   PRO  24          1HD       PRO  24  -8.386   1.111  -6.931
  164   2HD   PRO  24          2HD       PRO  24  -7.867   0.789  -8.574
  165    H    HIS  25           H        HIS  25 -10.124   3.561  -6.385
  166    HA   HIS  25           HA       HIS  25  -9.696   6.071  -5.060
  167   1HB   HIS  25          1HB       HIS  25 -11.647   5.558  -3.817
  168   2HB   HIS  25          2HB       HIS  25 -11.951   5.067  -5.472
  169    HD1  HIS  25           HD1      HIS  25 -13.527   3.872  -3.040
  170    HD2  HIS  25           HD2      HIS  25 -10.188   2.088  -4.847
  171    HE1  HIS  25           HE1      HIS  25 -13.672   1.381  -2.507
  172    HE2  HIS  25           HE2      HIS  25 -11.624   0.330  -3.689
  173    H    VAL  26           H        VAL  26  -7.485   5.817  -4.342
  174    HA   VAL  26           HA       VAL  26  -7.024   3.680  -2.423
  175    HB   VAL  26           HB       VAL  26  -4.696   4.554  -2.489
  176   1HG1  VAL  26          1HG1      VAL  26  -6.025   3.748  -5.092
  177   2HG1  VAL  26          2HG1      VAL  26  -4.260   3.837  -4.874
  178   3HG1  VAL  26          3HG1      VAL  26  -5.221   2.699  -3.900
  179   1HG2  VAL  26          1HG2      VAL  26  -5.900   6.830  -3.611
  180   2HG2  VAL  26          2HG2      VAL  26  -4.160   6.517  -3.408
  181   3HG2  VAL  26          3HG2      VAL  26  -4.969   6.089  -4.934
  182    H    THR  27           H        THR  27  -6.722   4.005  -0.218
  183    HA   THR  27           HA       THR  27  -6.588   6.702   0.807
  184    HB   THR  27           HB       THR  27  -8.715   6.730   1.854
  185    HG1  THR  27           HG1      THR  27  -9.862   4.585   2.006
  186   1HG2  THR  27          1HG2      THR  27  -9.143   5.027  -0.658
  187   2HG2  THR  27          2HG2      THR  27 -10.430   5.880   0.228
  188   3HG2  THR  27          3HG2      THR  27  -9.154   6.806  -0.597
  189    HA   PRO  28           HA       PRO  28  -4.587   4.728   4.052
  190   1HB   PRO  28          1HB       PRO  28  -5.294   6.131   6.288
  191   2HB   PRO  28          2HB       PRO  28  -4.107   6.704   5.133
  192   1HG   PRO  28          1HG       PRO  28  -6.895   7.605   5.528
  193   2HG   PRO  28          2HG       PRO  28  -5.584   8.422   4.701
  194   1HD   PRO  28          1HD       PRO  28  -7.779   7.032   3.484
  195   2HD   PRO  28          2HD       PRO  28  -6.407   7.749   2.662
  196    H    LYS  29           H        LYS  29  -6.910   3.364   3.241
  197    HA   LYS  29           HA       LYS  29  -7.107   1.558   5.334
  198   1HB   LYS  29          1HB       LYS  29  -8.394   3.655   6.247
  199   2HB   LYS  29          2HB       LYS  29  -9.676   3.110   5.185
  200   1HG   LYS  29          1HG       LYS  29  -8.332   1.134   7.052
  201   2HG   LYS  29          2HG       LYS  29  -9.562   2.216   7.674
  202   1HD   LYS  29          1HD       LYS  29 -10.180   0.713   5.134
  203   2HD   LYS  29          2HD       LYS  29 -10.178  -0.194   6.633
  204   1HE   LYS  29          1HE       LYS  29 -11.762   1.545   7.612
  205   2HE   LYS  29          2HE       LYS  29 -11.845   2.294   6.030
  206   1HZ   LYS  29          1HZ       LYS  29 -12.540   0.054   5.209
  207   2HZ   LYS  29          2HZ       LYS  29 -12.721  -0.402   6.767
  208   3HZ   LYS  29          3HZ       LYS  29 -13.623   0.818   6.163
  209    H    GLU  30           H        GLU  30  -8.807   3.172   2.595
  210    HA   GLU  30           HA       GLU  30 -10.095   0.781   1.828
  211   1HB   GLU  30          1HB       GLU  30 -10.963   3.074   1.320
  212   2HB   GLU  30          2HB       GLU  30  -9.609   3.340   0.240
  213   1HG   GLU  30          1HG       GLU  30 -10.647   2.228  -1.444
  214   2HG   GLU  30          2HG       GLU  30 -10.876   0.812  -0.436
  215    H    CYS  31           H        CYS  31  -7.124   2.553   0.821
  216    HA   CYS  31           HA       CYS  31  -6.573   0.891  -1.373
  217   1HB   CYS  31          1HB       CYS  31  -5.463   2.876  -1.527
  218   2HB   CYS  31          2HB       CYS  31  -5.111   2.956   0.188
  219    H    ASN  32           H        ASN  32  -5.912   0.793   2.141
  220    HA   ASN  32           HA       ASN  32  -4.116  -1.410   1.840
  221   1HB   ASN  32          1HB       ASN  32  -3.444  -0.696   3.902
  222   2HB   ASN  32          2HB       ASN  32  -4.682   0.543   3.850
  223   2HD2  ASN  32          2HD2      ASN  32  -6.950  -0.269   4.330
  224   1HD2  ASN  32          1HD2      ASN  32  -7.140  -1.332   5.684
  225    H    ASN  33           H        ASN  33  -7.455  -0.971   1.694
  226    HA   ASN  33           HA       ASN  33  -8.073  -3.393   3.148
  227   1HB   ASN  33          1HB       ASN  33  -9.612  -1.558   3.573
  228   2HB   ASN  33          2HB       ASN  33  -9.772  -1.202   1.864
  229   2HD2  ASN  33          2HD2      ASN  33 -10.541  -3.448   4.439
  230   1HD2  ASN  33          1HD2      ASN  33 -11.872  -4.251   3.675
  231    H    ARG  34           H        ARG  34  -8.130  -1.856  -0.116
  232    HA   ARG  34           HA       ARG  34  -9.506  -3.810  -1.449
  233   1HB   ARG  34          1HB       ARG  34  -8.376  -1.423  -2.143
  234   2HB   ARG  34          2HB       ARG  34  -7.197  -2.499  -2.865
  235   1HG   ARG  34          1HG       ARG  34  -9.049  -1.882  -4.447
  236   2HG   ARG  34          2HG       ARG  34  -8.917  -3.612  -4.198
  237   1HD   ARG  34          1HD       ARG  34 -10.918  -3.744  -3.012
  238   2HD   ARG  34          2HD       ARG  34 -10.749  -2.140  -2.328
  239    HE   ARG  34           HE       ARG  34 -11.098  -1.899  -5.166
  240   1HH1  ARG  34          1HH1      ARG  34 -12.906  -2.760  -2.273
  241   2HH1  ARG  34          2HH1      ARG  34 -14.435  -2.277  -2.929
  242   1HH2  ARG  34          1HH2      ARG  34 -13.114  -1.262  -6.033
  243   2HH2  ARG  34          2HH2      ARG  34 -14.553  -1.419  -5.082
  244    H    GLY  35           H        GLY  35  -6.265  -3.796  -0.109
  245   1HA   GLY  35          1HA       GLY  35  -5.704  -6.366  -1.464
  246   2HA   GLY  35          2HA       GLY  35  -5.293  -6.003   0.201
  247    H    CYS  36           H        CYS  36  -3.808  -4.023   0.553
  248    HA   CYS  36           HA       CYS  36  -1.435  -4.419  -0.723
  249   1HB   CYS  36          1HB       CYS  36  -3.097  -3.158  -2.531
  250   2HB   CYS  36          2HB       CYS  36  -2.207  -1.819  -1.833
  251    H    CYS  37           H        CYS  37  -0.609  -1.537  -0.752
  252    HA   CYS  37           HA       CYS  37  -1.133  -0.895   2.058
  253   1HB   CYS  37          1HB       CYS  37   1.455  -1.177   0.613
  254   2HB   CYS  37          2HB       CYS  37   1.317   0.136   1.765
  255    H    PHE  38           H        PHE  38  -1.186   1.422   2.515
  256    HA   PHE  38           HA       PHE  38  -1.511   3.022   0.074
  257   1HB   PHE  38          1HB       PHE  38  -3.611   2.676   1.352
  258   2HB   PHE  38          2HB       PHE  38  -2.804   3.052   2.862
  259    HD1  PHE  38           HD1      PHE  38  -4.111   4.484  -0.267
  260    HD2  PHE  38           HD2      PHE  38  -2.480   5.318   3.561
  261    HE1  PHE  38           HE1      PHE  38  -4.792   6.888  -0.501
  262    HE2  PHE  38           HE2      PHE  38  -3.161   7.723   3.327
  263    HZ   PHE  38           HZ       PHE  38  -4.309   8.479   1.299
  264    H    ASP  39           H        ASP  39  -1.317   5.518   0.688
  265    HA   ASP  39           HA       ASP  39   0.316   6.218   2.807
  266   1HB   ASP  39          1HB       ASP  39   2.140   5.070   1.713
  267   2HB   ASP  39          2HB       ASP  39   1.702   5.717   0.144
  268    H    SER  40           H        SER  40   0.433   8.552   2.885
  269    HA   SER  40           HA       SER  40  -0.488   9.900   0.477
  270   1HB   SER  40          1HB       SER  40  -1.955  11.348   1.819
  271   2HB   SER  40          2HB       SER  40  -2.411   9.668   2.022
  272    HG   SER  40           HG       SER  40  -1.234  11.467   3.880
  273    H    ARG  41           H        ARG  41   2.129   9.404   2.156
  274    HA   ARG  41           HA       ARG  41   2.822  11.785   3.347
  275   1HB   ARG  41          1HB       ARG  41   3.999   9.355   3.154
  276   2HB   ARG  41          2HB       ARG  41   4.931  10.169   1.913
  277   1HG   ARG  41          1HG       ARG  41   4.932  12.040   3.988
  278   2HG   ARG  41          2HG       ARG  41   5.003  10.518   4.854
  279   1HD   ARG  41          1HD       ARG  41   7.224  10.419   4.389
  280   2HD   ARG  41          2HD       ARG  41   6.820  10.200   2.698
  281    HE   ARG  41           HE       ARG  41   7.377  12.444   2.283
  282   1HH1  ARG  41          1HH1      ARG  41   7.065  11.931   5.751
  283   2HH1  ARG  41          2HH1      ARG  41   7.699  13.488   6.167
  284   1HH2  ARG  41          1HH2      ARG  41   8.213  14.498   2.832
  285   2HH2  ARG  41          2HH2      ARG  41   8.356  14.959   4.496
  286    H    ILE  42           H        ILE  42   3.401  10.538  -0.013
  287    HA   ILE  42           HA       ILE  42   3.592  13.300  -0.909
  288    HB   ILE  42           HB       ILE  42   5.555  12.124  -2.401
  289   1HG1  ILE  42          1HG1      ILE  42   7.125  11.093  -0.778
  290   2HG1  ILE  42          2HG1      ILE  42   5.868  11.114   0.442
  291   1HG2  ILE  42          1HG2      ILE  42   5.448  14.399  -1.339
  292   2HG2  ILE  42          2HG2      ILE  42   6.038  13.653   0.166
  293   3HG2  ILE  42          3HG2      ILE  42   7.048  13.618  -1.300
  294   1HD1  ILE  42          1HD1      ILE  42   4.980   9.910  -2.113
  295   2HD1  ILE  42          2HD1      ILE  42   6.325   9.039  -1.339
  296   3HD1  ILE  42          3HD1      ILE  42   4.806   9.302  -0.449
  297    HA   PRO  43           HA       PRO  43   1.068  11.515  -3.946
  298   1HB   PRO  43          1HB       PRO  43   0.775  13.690  -5.574
  299   2HB   PRO  43          2HB       PRO  43  -0.182  13.440  -4.128
  300   1HG   PRO  43          1HG       PRO  43   2.065  15.310  -4.562
  301   2HG   PRO  43          2HG       PRO  43   0.843  15.336  -3.307
  302   1HD   PRO  43          1HD       PRO  43   3.565  14.473  -3.035
  303   2HD   PRO  43          2HD       PRO  43   2.312  14.391  -1.812
  304    H    GLY  44           H        GLY  44   3.973  13.220  -4.863
  305   1HA   GLY  44          1HA       GLY  44   5.598  12.537  -6.289
  306   2HA   GLY  44          2HA       GLY  44   4.296  12.630  -7.459
  307    H    VAL  45           H        VAL  45   4.866  10.321  -4.713
  308    HA   VAL  45           HA       VAL  45   5.390   8.203  -6.613
  309    HB   VAL  45           HB       VAL  45   6.285   7.061  -4.865
  310   1HG1  VAL  45          1HG1      VAL  45   7.053   9.633  -5.016
  311   2HG1  VAL  45          2HG1      VAL  45   6.500   9.602  -3.325
  312   3HG1  VAL  45          3HG1      VAL  45   7.766   8.475  -3.867
  313   1HG2  VAL  45          1HG2      VAL  45   4.161   8.362  -3.161
  314   2HG2  VAL  45          2HG2      VAL  45   4.451   6.634  -3.475
  315   3HG2  VAL  45          3HG2      VAL  45   5.562   7.546  -2.425
  316    HA   PRO  46           HA       PRO  46   1.470   6.388  -6.391
  317   1HB   PRO  46          1HB       PRO  46   1.916   3.706  -6.115
  318   2HB   PRO  46          2HB       PRO  46   2.088   4.554  -7.639
  319   1HG   PRO  46          1HG       PRO  46   4.198   3.557  -5.825
  320   2HG   PRO  46          2HG       PRO  46   4.326   4.012  -7.513
  321   1HD   PRO  46          1HD       PRO  46   5.186   5.550  -5.250
  322   2HD   PRO  46          2HD       PRO  46   5.208   6.053  -6.928
  323    H    TRP  47           H        TRP  47   0.547   7.420  -4.619
  324    HA   TRP  47           HA       TRP  47   0.913   7.054  -2.050
  325   1HB   TRP  47          1HB       TRP  47  -1.560   7.362  -3.666
  326   2HB   TRP  47          2HB       TRP  47  -1.764   6.932  -1.980
  327    HD1  TRP  47           HD1      TRP  47   1.129   9.277  -2.946
  328    HE1  TRP  47           HE1      TRP  47   0.749  11.712  -2.002
  329    HE3  TRP  47           HE3      TRP  47  -3.626   8.476  -1.334
  330    HZ2  TRP  47           HZ2      TRP  47  -1.449  13.001  -0.716
  331    HZ3  TRP  47           HZ3      TRP  47  -4.819  10.375  -0.245
  332    HH2  TRP  47           HH2      TRP  47  -3.806  12.576   0.074
  333    H    CYS  48           H        CYS  48  -1.000   4.753  -4.116
  334    HA   CYS  48           HA       CYS  48  -0.920   2.835  -1.942
  335   1HB   CYS  48          1HB       CYS  48  -2.984   3.409  -3.399
  336   2HB   CYS  48          2HB       CYS  48  -2.228   2.399  -4.616
  337    H    PHE  49           H        PHE  49   0.561   1.161  -1.919
  338    HA   PHE  49           HA       PHE  49   1.707   0.289  -4.430
  339   1HB   PHE  49          1HB       PHE  49   4.025   0.518  -3.242
  340   2HB   PHE  49          2HB       PHE  49   3.299   2.011  -3.803
  341    HD1  PHE  49           HD1      PHE  49   3.503  -0.132  -0.759
  342    HD2  PHE  49           HD2      PHE  49   3.078   3.787  -2.329
  343    HE1  PHE  49           HE1      PHE  49   3.656   0.814   1.561
  344    HE2  PHE  49           HE2      PHE  49   3.231   4.733  -0.010
  345    HZ   PHE  49           HZ       PHE  49   3.518   3.235   1.908
  346    H    LYS  50           H        LYS  50   3.137  -1.698  -4.072
  347    HA   LYS  50           HA       LYS  50   1.730  -3.516  -2.449
  348   1HB   LYS  50          1HB       LYS  50   4.382  -3.765  -3.900
  349   2HB   LYS  50          2HB       LYS  50   3.520  -5.099  -3.160
  350   1HG   LYS  50          1HG       LYS  50   1.519  -3.926  -4.688
  351   2HG   LYS  50          2HG       LYS  50   2.933  -3.637  -5.681
  352   1HD   LYS  50          1HD       LYS  50   3.257  -6.302  -4.835
  353   2HD   LYS  50          2HD       LYS  50   1.533  -6.168  -5.116
  354   1HE   LYS  50          1HE       LYS  50   2.778  -4.817  -7.301
  355   2HE   LYS  50          2HE       LYS  50   3.701  -6.287  -7.065
  356   1HZ   LYS  50          1HZ       LYS  50   1.563  -7.480  -7.059
  357   2HZ   LYS  50          2HZ       LYS  50   0.798  -6.093  -7.458
  358   3HZ   LYS  50          3HZ       LYS  50   1.889  -6.748  -8.482
  359    HA   PRO  51           HA       PRO  51   3.907  -3.318   1.272
  360   1HB   PRO  51          1HB       PRO  51   3.993  -5.911   2.128
  361   2HB   PRO  51          2HB       PRO  51   2.567  -4.902   2.270
  362   1HG   PRO  51          1HG       PRO  51   3.100  -7.100   0.366
  363   2HG   PRO  51          2HG       PRO  51   1.566  -6.377   0.807
  364   1HD   PRO  51          1HD       PRO  51   3.047  -5.922  -1.607
  365   2HD   PRO  51          2HD       PRO  51   1.572  -5.114  -1.114
  366    H    LEU  52           H        LEU  52   5.926  -2.715   1.698
  367    HA   LEU  52           HA       LEU  52   8.037  -3.231   0.188
  368   1HB   LEU  52          1HB       LEU  52   8.215  -1.698   1.954
  369   2HB   LEU  52          2HB       LEU  52   7.837  -2.904   3.168
  370    HG   LEU  52           HG       LEU  52  10.372  -2.921   1.511
  371   1HD1  LEU  52          1HD1      LEU  52   9.720  -1.048   3.444
  372   2HD1  LEU  52          2HD1      LEU  52  10.677  -2.256   4.334
  373   3HD1  LEU  52          3HD1      LEU  52  11.356  -1.472   2.887
  374   1HD2  LEU  52          1HD2      LEU  52   9.173  -4.798   3.371
  375   2HD2  LEU  52          2HD2      LEU  52  10.584  -4.987   2.303
  376   3HD2  LEU  52          3HD2      LEU  52  10.782  -4.268   3.919
  377    H    GLN  53           H        GLN  53   9.327  -4.906  -0.422
  378    HA   GLN  53           HA       GLN  53   8.542  -7.486   0.233
  379   1HB   GLN  53          1HB       GLN  53  10.849  -8.042  -0.884
  380   2HB   GLN  53          2HB       GLN  53   9.593  -7.294  -1.851
  381   1HG   GLN  53          1HG       GLN  53  11.356  -5.374  -0.399
  382   2HG   GLN  53          2HG       GLN  53  12.167  -6.329  -1.623
  383   2HE2  GLN  53          2HE2      GLN  53  10.875  -3.470  -1.167
  384   1HE2  GLN  53          1HE2      GLN  53  10.182  -3.101  -2.711
  385    H    GLU  54           H        GLU  54   8.537  -7.378   2.634
  386    HA   GLU  54           HA       GLU  54  10.670  -6.809   4.184
  387   1HB   GLU  54          1HB       GLU  54   9.529  -7.910   5.922
  388   2HB   GLU  54          2HB       GLU  54   8.240  -7.520   4.800
  389   1HG   GLU  54          1HG       GLU  54   8.695  -9.887   3.768
  390   2HG   GLU  54          2HG       GLU  54   9.587 -10.209   5.241
  391    H    ALA  55           H        ALA  55  12.740  -7.559   4.201
  392    HA   ALA  55           HA       ALA  55  13.226 -10.377   4.201
  393   1HB   ALA  55          1HB       ALA  55  13.416 -10.568   1.954
  394   2HB   ALA  55          2HB       ALA  55  14.944  -9.676   2.148
  395   3HB   ALA  55          3HB       ALA  55  13.453  -8.805   1.717
  396    H    GLU  56           H        GLU  56  13.625  -8.661   6.251
  397    HA   GLU  56           HA       GLU  56  15.080  -7.542   7.470
  398   1HB   GLU  56          1HB       GLU  56  15.883 -10.206   7.058
  399   2HB   GLU  56          2HB       GLU  56  17.371  -9.293   6.901
  400   1HG   GLU  56          1HG       GLU  56  17.262  -9.701   9.224
  401   2HG   GLU  56          2HG       GLU  56  16.629  -8.072   9.093
  402    H    CYS  57           H        CYS  57  14.917  -6.240   5.012
  403    HA   CYS  57           HA       CYS  57  17.715  -5.474   4.603
  404   1HB   CYS  57          1HB       CYS  57  16.239  -6.719   2.703
  405   2HB   CYS  57          2HB       CYS  57  15.827  -5.051   2.362
  406    H    THR  58           H        THR  58  17.631  -3.122   3.432
  407    HA   THR  58           HA       THR  58  15.440  -1.455   3.917
  408    HB   THR  58           HB       THR  58  15.865  -1.843   6.302
  409    HG1  THR  58           HG1      THR  58  17.203   0.600   5.382
  410   1HG2  THR  58          1HG2      THR  58  18.734  -1.304   5.469
  411   2HG2  THR  58          2HG2      THR  58  18.196  -0.840   7.101
  412   3HG2  THR  58          3HG2      THR  58  18.111  -2.542   6.586
  413    H    PHE  59           H        PHE  59  16.090   0.926   3.724
  414    HA   PHE  59           HA       PHE  59  17.324   1.401   1.421
  415   1HB   PHE  59          1HB       PHE  59  16.276   3.225   2.579
  416   2HB   PHE  59          2HB       PHE  59  17.119   2.876   4.075
  417    HD1  PHE  59           HD1      PHE  59  18.167   3.695   0.576
  418    HD2  PHE  59           HD2      PHE  59  18.540   4.559   4.714
  419    HE1  PHE  59           HE1      PHE  59  19.843   5.488   0.051
  420    HE2  PHE  59           HE2      PHE  59  20.216   6.352   4.189
  421    HZ   PHE  59           HZ       PHE  59  20.847   6.795   1.863

  No H/Q in entry =         421
  Start of MODEL   58
    1    H    GLU   1           H        GLU   1   8.040 -13.664  19.246
    2    HA   GLU   1           HA       GLU   1  10.003 -11.732  20.108
    3   1HB   GLU   1          1HB       GLU   1  10.122 -14.152  18.267
    4   2HB   GLU   1          2HB       GLU   1  11.472 -13.049  18.446
    5   1HG   GLU   1          1HG       GLU   1  10.771 -13.560  21.098
    6   2HG   GLU   1          2HG       GLU   1  10.457 -15.102  20.327
    7    H    GLU   2           H        GLU   2   8.572  -9.937  19.223
    8    HA   GLU   2           HA       GLU   2   8.206  -8.383  17.752
    9   1HB   GLU   2          1HB       GLU   2  10.606  -9.716  16.515
   10   2HB   GLU   2          2HB       GLU   2   9.747  -8.524  15.559
   11   1HG   GLU   2          1HG       GLU   2   9.919  -7.228  18.000
   12   2HG   GLU   2          2HG       GLU   2  11.408  -8.151  18.002
   13    H    TYR   3           H        TYR   3   6.478  -8.118  16.375
   14    HA   TYR   3           HA       TYR   3   5.252 -10.417  15.282
   15   1HB   TYR   3          1HB       TYR   3   4.598  -7.815  16.034
   16   2HB   TYR   3          2HB       TYR   3   4.658  -7.623  14.293
   17    HD1  TYR   3           HD1      TYR   3   3.120  -9.796  16.930
   18    HD2  TYR   3           HD2      TYR   3   2.767  -8.118  13.010
   19    HE1  TYR   3           HE1      TYR   3   0.757 -10.715  16.742
   20    HE2  TYR   3           HE2      TYR   3   0.405  -9.043  12.835
   21    HH   TYR   3           HH       TYR   3  -0.741 -11.400  14.592
   22    H    VAL   4           H        VAL   4   4.252  -9.476  12.792
   23    HA   VAL   4           HA       VAL   4   6.527  -8.911  11.119
   24    HB   VAL   4           HB       VAL   4   6.860 -11.249  11.346
   25   1HG1  VAL   4          1HG1      VAL   4   3.917 -11.344  11.367
   26   2HG1  VAL   4          2HG1      VAL   4   4.679 -12.629  10.399
   27   3HG1  VAL   4          3HG1      VAL   4   5.109 -12.435  12.115
   28   1HG2  VAL   4          1HG2      VAL   4   5.639 -10.304   8.780
   29   2HG2  VAL   4          2HG2      VAL   4   7.308 -10.808   9.136
   30   3HG2  VAL   4          3HG2      VAL   4   6.029 -12.032   8.951
   31    H    GLY   5           H        GLY   5   5.075  -6.995  10.956
   32   1HA   GLY   5          1HA       GLY   5   2.660  -7.523   9.348
   33   2HA   GLY   5          2HA       GLY   5   3.894  -6.427   8.760
   34    H    LEU   6           H        LEU   6   3.693  -6.466  12.217
   35    HA   LEU   6           HA       LEU   6   1.533  -4.779  12.659
   36   1HB   LEU   6          1HB       LEU   6   3.393  -6.109  14.173
   37   2HB   LEU   6          2HB       LEU   6   3.839  -4.436  14.442
   38    HG   LEU   6           HG       LEU   6   1.222  -5.799  15.073
   39   1HD1  LEU   6          1HD1      LEU   6   3.158  -5.893  16.680
   40   2HD1  LEU   6          2HD1      LEU   6   3.015  -4.126  16.844
   41   3HD1  LEU   6          3HD1      LEU   6   1.662  -5.177  17.325
   42   1HD2  LEU   6          1HD2      LEU   6   1.723  -2.926  14.510
   43   2HD2  LEU   6          2HD2      LEU   6   0.240  -3.895  14.339
   44   3HD2  LEU   6          3HD2      LEU   6   0.741  -3.309  15.943
   45    H    SER   7           H        SER   7   1.237  -2.560  12.636
   46    HA   SER   7           HA       SER   7   1.670  -0.443  12.315
   47   1HB   SER   7          1HB       SER   7   3.775   0.488  12.679
   48   2HB   SER   7          2HB       SER   7   3.960  -1.061  13.477
   49    HG   SER   7           HG       SER   7   5.434  -0.065  11.460
   50    H    ALA   8           H        ALA   8   3.789   0.661  10.475
   51    HA   ALA   8           HA       ALA   8   2.494  -0.140   8.000
   52   1HB   ALA   8          1HB       ALA   8   3.905   2.239   9.075
   53   2HB   ALA   8          2HB       ALA   8   4.219   1.885   7.359
   54   3HB   ALA   8          3HB       ALA   8   2.550   2.134   7.925
   55    H    ASN   9           H        ASN   9   4.609  -1.743   9.638
   56    HA   ASN   9           HA       ASN   9   7.036  -1.766   8.600
   57   1HB   ASN   9          1HB       ASN   9   5.455  -3.585  10.024
   58   2HB   ASN   9          2HB       ASN   9   5.844  -4.493   8.576
   59   2HD2  ASN   9          2HD2      ASN   9   8.133  -4.518   7.900
   60   1HD2  ASN   9          1HD2      ASN   9   9.366  -4.608   9.113
   61    H    GLN  10           H        GLN  10   4.078  -3.305   7.148
   62    HA   GLN  10           HA       GLN  10   5.424  -4.275   4.898
   63   1HB   GLN  10          1HB       GLN  10   3.026  -4.464   3.977
   64   2HB   GLN  10          2HB       GLN  10   3.375  -5.340   5.454
   65   1HG   GLN  10          1HG       GLN  10   2.546  -2.646   6.145
   66   2HG   GLN  10          2HG       GLN  10   1.377  -3.324   5.030
   67   2HE2  GLN  10          2HE2      GLN  10   1.346  -2.725   7.958
   68   1HE2  GLN  10          1HE2      GLN  10   0.814  -4.175   8.741
   69    H    CYS  11           H        CYS  11   3.775  -1.203   5.692
   70    HA   CYS  11           HA       CYS  11   4.325  -0.285   2.971
   71   1HB   CYS  11          1HB       CYS  11   2.715   1.373   4.836
   72   2HB   CYS  11          2HB       CYS  11   2.567   1.151   3.104
   73    H    ALA  12           H        ALA  12   6.546  -0.643   4.659
   74    HA   ALA  12           HA       ALA  12   7.088   2.040   5.708
   75   1HB   ALA  12          1HB       ALA  12   9.043   0.808   6.796
   76   2HB   ALA  12          2HB       ALA  12   7.420   0.346   7.364
   77   3HB   ALA  12          3HB       ALA  12   8.295  -0.700   6.219
   78    H    VAL  13           H        VAL  13   6.966   1.870   2.925
   79    HA   VAL  13           HA       VAL  13   9.734   1.535   2.065
   80    HB   VAL  13           HB       VAL  13   7.758   2.336   0.071
   81   1HG1  VAL  13          1HG1      VAL  13  10.115   0.717   0.313
   82   2HG1  VAL  13          2HG1      VAL  13   8.810  -0.266  -0.394
   83   3HG1  VAL  13          3HG1      VAL  13   9.281   1.271  -1.159
   84   1HG2  VAL  13          1HG2      VAL  13   7.189  -0.016   1.863
   85   2HG2  VAL  13          2HG2      VAL  13   6.072   1.205   1.207
   86   3HG2  VAL  13          3HG2      VAL  13   6.731  -0.062   0.144
   87    HA   PRO  14           HA       PRO  14  10.386   5.801   1.875
   88   1HB   PRO  14          1HB       PRO  14  12.171   6.043  -0.180
   89   2HB   PRO  14          2HB       PRO  14  12.629   5.529   1.431
   90   1HG   PRO  14          1HG       PRO  14  12.334   3.902  -1.020
   91   2HG   PRO  14          2HG       PRO  14  13.181   3.509   0.463
   92   1HD   PRO  14          1HD       PRO  14  10.618   2.521  -0.362
   93   2HD   PRO  14          2HD       PRO  14  11.414   2.221   1.171
   94    H    ALA  15           H        ALA  15  10.176   4.703  -1.484
   95    HA   ALA  15           HA       ALA  15   7.801   5.667  -2.175
   96   1HB   ALA  15          1HB       ALA  15   9.657   7.921  -1.610
   97   2HB   ALA  15          2HB       ALA  15   7.878   7.869  -1.588
   98   3HB   ALA  15          3HB       ALA  15   8.744   8.037  -3.134
   99    H    LYS  16           H        LYS  16  11.252   5.375  -2.832
  100    HA   LYS  16           HA       LYS  16  10.793   5.317  -5.697
  101   1HB   LYS  16          1HB       LYS  16  13.199   5.217  -5.882
  102   2HB   LYS  16          2HB       LYS  16  12.748   6.509  -4.788
  103   1HG   LYS  16          1HG       LYS  16  14.397   5.504  -3.501
  104   2HG   LYS  16          2HG       LYS  16  13.012   4.595  -2.931
  105   1HD   LYS  16          1HD       LYS  16  13.624   3.016  -5.023
  106   2HD   LYS  16          2HD       LYS  16  15.210   3.731  -4.808
  107   1HE   LYS  16          1HE       LYS  16  14.962   3.107  -2.289
  108   2HE   LYS  16          2HE       LYS  16  13.608   2.112  -2.786
  109   1HZ   LYS  16          1HZ       LYS  16  15.208   1.122  -4.430
  110   2HZ   LYS  16          2HZ       LYS  16  16.407   1.853  -3.598
  111   3HZ   LYS  16          3HZ       LYS  16  15.461   0.744  -2.862
  112    H    ASP  17           H        ASP  17  10.466   3.228  -3.059
  113    HA   ASP  17           HA       ASP  17  11.179   0.940  -4.709
  114   1HB   ASP  17          1HB       ASP  17  11.365   1.554  -1.847
  115   2HB   ASP  17          2HB       ASP  17  10.470   0.069  -2.100
  116    H    ARG  18           H        ARG  18   8.643   2.841  -4.496
  117    HA   ARG  18           HA       ARG  18   6.643   1.121  -3.483
  118   1HB   ARG  18          1HB       ARG  18   6.172   3.492  -5.339
  119   2HB   ARG  18          2HB       ARG  18   5.099   2.870  -4.101
  120   1HG   ARG  18          1HG       ARG  18   7.849   3.953  -3.382
  121   2HG   ARG  18          2HG       ARG  18   6.480   5.030  -3.575
  122   1HD   ARG  18          1HD       ARG  18   5.412   3.039  -1.946
  123   2HD   ARG  18          2HD       ARG  18   7.072   3.110  -1.388
  124    HE   ARG  18           HE       ARG  18   5.909   5.766  -1.694
  125   1HH1  ARG  18          1HH1      ARG  18   6.143   2.997   0.465
  126   2HH1  ARG  18          2HH1      ARG  18   5.818   3.921   1.894
  127   1HH2  ARG  18          1HH2      ARG  18   5.481   6.986   0.191
  128   2HH2  ARG  18          2HH2      ARG  18   5.439   6.205   1.736
  129    H    VAL  19           H        VAL  19   6.227  -0.781  -4.597
  130    HA   VAL  19           HA       VAL  19   6.721  -1.105  -7.332
  131    HB   VAL  19           HB       VAL  19   4.766  -2.735  -5.731
  132   1HG1  VAL  19          1HG1      VAL  19   6.740  -3.315  -7.954
  133   2HG1  VAL  19          2HG1      VAL  19   5.950  -4.593  -7.000
  134   3HG1  VAL  19          3HG1      VAL  19   4.968  -3.478  -7.980
  135   1HG2  VAL  19          1HG2      VAL  19   7.670  -2.329  -5.223
  136   2HG2  VAL  19          2HG2      VAL  19   6.360  -2.793  -4.110
  137   3HG2  VAL  19          3HG2      VAL  19   7.079  -4.008  -5.195
  138    H    ASP  20           H        ASP  20   4.240   0.583  -5.656
  139    HA   ASP  20           HA       ASP  20   2.418   1.569  -6.294
  140   1HB   ASP  20          1HB       ASP  20   3.801   2.345  -8.224
  141   2HB   ASP  20          2HB       ASP  20   3.356   0.911  -9.127
  142    H    CYS  21           H        CYS  21   0.456   0.536  -5.901
  143    HA   CYS  21           HA       CYS  21   0.038  -2.098  -6.944
  144   1HB   CYS  21          1HB       CYS  21  -0.749  -0.762  -4.662
  145   2HB   CYS  21          2HB       CYS  21  -2.225  -0.801  -5.606
  146    H    GLY  22           H        GLY  22  -0.370   1.104  -8.046
  147   1HA   GLY  22          1HA       GLY  22  -1.567   0.464 -10.443
  148   2HA   GLY  22          2HA       GLY  22  -1.538   2.057  -9.714
  149    H    TYR  23           H        TYR  23  -3.217   2.407  -7.856
  150    HA   TYR  23           HA       TYR  23  -5.749   1.287  -8.813
  151   1HB   TYR  23          1HB       TYR  23  -4.450   0.432  -6.525
  152   2HB   TYR  23          2HB       TYR  23  -5.266   1.837  -5.870
  153    HD1  TYR  23           HD1      TYR  23  -6.366  -0.747  -8.364
  154    HD2  TYR  23           HD2      TYR  23  -7.057   1.118  -4.577
  155    HE1  TYR  23           HE1      TYR  23  -8.492  -2.110  -8.073
  156    HE2  TYR  23           HE2      TYR  23  -9.180  -0.252  -4.298
  157    HH   TYR  23           HH       TYR  23 -10.088  -2.681  -6.715
  158    HA   PRO  24           HA       PRO  24  -6.937   5.443  -8.523
  159   1HB   PRO  24          1HB       PRO  24  -9.647   5.180  -8.757
  160   2HB   PRO  24          2HB       PRO  24  -8.560   5.159 -10.132
  161   1HG   PRO  24          1HG       PRO  24  -9.970   2.899  -8.849
  162   2HG   PRO  24          2HG       PRO  24  -9.238   2.976 -10.440
  163   1HD   PRO  24          1HD       PRO  24  -8.162   1.682  -8.117
  164   2HD   PRO  24          2HD       PRO  24  -7.380   1.859  -9.675
  165    H    HIS  25           H        HIS  25  -9.719   3.992  -6.966
  166    HA   HIS  25           HA       HIS  25  -9.654   5.899  -4.923
  167   1HB   HIS  25          1HB       HIS  25 -11.662   5.059  -4.401
  168   2HB   HIS  25          2HB       HIS  25 -11.495   4.160  -5.895
  169    HD1  HIS  25           HD1      HIS  25 -12.278   3.654  -2.437
  170    HD2  HIS  25           HD2      HIS  25 -10.140   1.476  -5.315
  171    HE1  HIS  25           HE1      HIS  25 -12.163   1.254  -1.578
  172    HE2  HIS  25           HE2      HIS  25 -10.886  -0.047  -3.414
  173    H    VAL  26           H        VAL  26  -7.751   6.029  -3.749
  174    HA   VAL  26           HA       VAL  26  -7.083   3.601  -2.237
  175    HB   VAL  26           HB       VAL  26  -4.715   4.357  -2.354
  176   1HG1  VAL  26          1HG1      VAL  26  -6.264   3.453  -4.763
  177   2HG1  VAL  26          2HG1      VAL  26  -4.520   3.775  -4.914
  178   3HG1  VAL  26          3HG1      VAL  26  -5.102   2.559  -3.752
  179   1HG2  VAL  26          1HG2      VAL  26  -5.593   6.748  -3.158
  180   2HG2  VAL  26          2HG2      VAL  26  -3.982   6.132  -3.597
  181   3HG2  VAL  26          3HG2      VAL  26  -5.326   6.019  -4.760
  182    H    THR  27           H        THR  27  -6.862   3.882  -0.040
  183    HA   THR  27           HA       THR  27  -6.605   6.604   0.974
  184    HB   THR  27           HB       THR  27  -8.639   6.495   2.242
  185    HG1  THR  27           HG1      THR  27  -8.356   3.694   1.458
  186   1HG2  THR  27          1HG2      THR  27  -9.255   4.998  -0.360
  187   2HG2  THR  27          2HG2      THR  27 -10.438   5.863   0.651
  188   3HG2  THR  27          3HG2      THR  27  -9.168   6.769  -0.206
  189    HA   PRO  28           HA       PRO  28  -4.315   4.709   4.070
  190   1HB   PRO  28          1HB       PRO  28  -4.901   6.108   6.344
  191   2HB   PRO  28          2HB       PRO  28  -3.817   6.705   5.103
  192   1HG   PRO  28          1HG       PRO  28  -6.594   7.530   5.691
  193   2HG   PRO  28          2HG       PRO  28  -5.369   8.378   4.768
  194   1HD   PRO  28          1HD       PRO  28  -7.604   6.917   3.719
  195   2HD   PRO  28          2HD       PRO  28  -6.316   7.666   2.797
  196    H    LYS  29           H        LYS  29  -6.730   3.335   3.446
  197    HA   LYS  29           HA       LYS  29  -6.696   1.495   5.523
  198   1HB   LYS  29          1HB       LYS  29  -7.900   3.559   6.595
  199   2HB   LYS  29          2HB       LYS  29  -9.276   3.038   5.644
  200   1HG   LYS  29          1HG       LYS  29  -7.761   1.039   7.356
  201   2HG   LYS  29          2HG       LYS  29  -8.962   2.088   8.083
  202   1HD   LYS  29          1HD       LYS  29  -9.801   0.692   5.567
  203   2HD   LYS  29          2HD       LYS  29  -9.553  -0.337   6.963
  204   1HE   LYS  29          1HE       LYS  29 -11.416   0.457   8.035
  205   2HE   LYS  29          2HE       LYS  29 -11.064   2.122   7.618
  206   1HZ   LYS  29          1HZ       LYS  29 -11.755   0.721   5.306
  207   2HZ   LYS  29          2HZ       LYS  29 -12.904   0.457   6.436
  208   3HZ   LYS  29          3HZ       LYS  29 -12.525   1.984   5.998
  209    H    GLU  30           H        GLU  30  -8.753   3.124   3.038
  210    HA   GLU  30           HA       GLU  30 -10.040   0.715   2.351
  211   1HB   GLU  30          1HB       GLU  30 -10.661   3.300   1.960
  212   2HB   GLU  30          2HB       GLU  30  -9.872   3.019   0.421
  213   1HG   GLU  30          1HG       GLU  30 -12.139   2.475  -0.013
  214   2HG   GLU  30          2HG       GLU  30 -11.380   0.911   0.212
  215    H    CYS  31           H        CYS  31  -7.018   2.293   1.457
  216    HA   CYS  31           HA       CYS  31  -6.735   0.803  -0.974
  217   1HB   CYS  31          1HB       CYS  31  -5.672   2.818  -1.162
  218   2HB   CYS  31          2HB       CYS  31  -5.139   2.835   0.507
  219    H    ASN  32           H        ASN  32  -5.948   0.547   2.476
  220    HA   ASN  32           HA       ASN  32  -4.112  -1.610   1.974
  221   1HB   ASN  32          1HB       ASN  32  -5.133  -0.701   4.700
  222   2HB   ASN  32          2HB       ASN  32  -3.615  -1.496   4.337
  223   2HD2  ASN  32          2HD2      ASN  32  -5.469   1.468   4.040
  224   1HD2  ASN  32          1HD2      ASN  32  -4.145   2.559   3.801
  225    H    ASN  33           H        ASN  33  -7.375  -1.309   1.839
  226    HA   ASN  33           HA       ASN  33  -7.935  -3.664   3.440
  227   1HB   ASN  33          1HB       ASN  33  -9.386  -1.589   3.689
  228   2HB   ASN  33          2HB       ASN  33  -9.870  -1.763   2.014
  229   2HD2  ASN  33          2HD2      ASN  33 -11.056  -3.600   1.354
  230   1HD2  ASN  33          1HD2      ASN  33 -12.031  -4.504   2.463
  231    H    ARG  34           H        ARG  34  -7.952  -2.248   0.145
  232    HA   ARG  34           HA       ARG  34  -9.395  -4.251  -1.098
  233   1HB   ARG  34          1HB       ARG  34  -8.631  -1.906  -1.975
  234   2HB   ARG  34          2HB       ARG  34  -7.130  -2.694  -2.419
  235   1HG   ARG  34          1HG       ARG  34  -9.868  -3.697  -3.325
  236   2HG   ARG  34          2HG       ARG  34  -8.901  -2.577  -4.265
  237   1HD   ARG  34          1HD       ARG  34  -7.076  -4.619  -3.637
  238   2HD   ARG  34          2HD       ARG  34  -8.571  -5.492  -3.910
  239    HE   ARG  34           HE       ARG  34  -8.460  -3.696  -6.033
  240   1HH1  ARG  34          1HH1      ARG  34  -6.303  -6.173  -4.772
  241   2HH1  ARG  34          2HH1      ARG  34  -5.598  -6.526  -6.315
  242   1HH2  ARG  34          1HH2      ARG  34  -7.531  -4.160  -8.068
  243   2HH2  ARG  34          2HH2      ARG  34  -6.302  -5.373  -8.202
  244    H    GLY  35           H        GLY  35  -6.040  -4.028   0.007
  245   1HA   GLY  35          1HA       GLY  35  -5.471  -6.642  -1.260
  246   2HA   GLY  35          2HA       GLY  35  -5.017  -6.234   0.382
  247    H    CYS  36           H        CYS  36  -3.632  -4.137   0.618
  248    HA   CYS  36           HA       CYS  36  -1.279  -4.498  -0.744
  249   1HB   CYS  36          1HB       CYS  36  -3.084  -3.249  -2.449
  250   2HB   CYS  36          2HB       CYS  36  -2.130  -1.922  -1.818
  251    H    CYS  37           H        CYS  37  -0.551  -1.589  -0.807
  252    HA   CYS  37           HA       CYS  37  -0.973  -0.961   2.023
  253   1HB   CYS  37          1HB       CYS  37   1.556  -1.214   0.487
  254   2HB   CYS  37          2HB       CYS  37   1.442   0.145   1.586
  255    H    PHE  38           H        PHE  38  -0.847   1.414   2.473
  256    HA   PHE  38           HA       PHE  38  -1.406   2.977   0.049
  257   1HB   PHE  38          1HB       PHE  38  -3.430   2.604   1.440
  258   2HB   PHE  38          2HB       PHE  38  -2.551   3.009   2.901
  259    HD1  PHE  38           HD1      PHE  38  -4.125   4.365  -0.122
  260    HD2  PHE  38           HD2      PHE  38  -2.149   5.308   3.513
  261    HE1  PHE  38           HE1      PHE  38  -4.858   6.755  -0.344
  262    HE2  PHE  38           HE2      PHE  38  -2.882   7.698   3.291
  263    HZ   PHE  38           HZ       PHE  38  -4.228   8.393   1.366
  264    H    ASP  39           H        ASP  39  -1.244   5.488   0.689
  265    HA   ASP  39           HA       ASP  39   0.463   6.241   2.704
  266   1HB   ASP  39          1HB       ASP  39   2.233   5.019   1.540
  267   2HB   ASP  39          2HB       ASP  39   1.806   5.756   0.008
  268    H    SER  40           H        SER  40   0.615   8.583   2.694
  269    HA   SER  40           HA       SER  40  -0.363   9.859   0.272
  270   1HB   SER  40          1HB       SER  40  -1.820  11.339   1.596
  271   2HB   SER  40          2HB       SER  40  -2.273   9.663   1.834
  272    HG   SER  40           HG       SER  40  -0.531  10.027   3.746
  273    H    ARG  41           H        ARG  41   2.261   9.420   1.981
  274    HA   ARG  41           HA       ARG  41   2.954  11.836   3.088
  275   1HB   ARG  41          1HB       ARG  41   4.142   9.401   2.939
  276   2HB   ARG  41          2HB       ARG  41   5.069  10.204   1.688
  277   1HG   ARG  41          1HG       ARG  41   4.909  12.032   3.895
  278   2HG   ARG  41          2HG       ARG  41   5.307  10.464   4.568
  279   1HD   ARG  41          1HD       ARG  41   6.801  11.285   2.089
  280   2HD   ARG  41          2HD       ARG  41   7.189  12.148   3.564
  281    HE   ARG  41           HE       ARG  41   8.004   9.485   2.937
  282   1HH1  ARG  41          1HH1      ARG  41   6.706  11.316   5.647
  283   2HH1  ARG  41          2HH1      ARG  41   7.430  10.299   6.847
  284   1HH2  ARG  41          1HH2      ARG  41   8.960   8.142   4.520
  285   2HH2  ARG  41          2HH2      ARG  41   8.721   8.481   6.202
  286    H    ILE  42           H        ILE  42   3.308  10.546  -0.268
  287    HA   ILE  42           HA       ILE  42   3.542  13.266  -1.228
  288    HB   ILE  42           HB       ILE  42   5.505  12.098  -2.715
  289   1HG1  ILE  42          1HG1      ILE  42   7.106  11.096  -1.110
  290   2HG1  ILE  42          2HG1      ILE  42   5.872  11.121   0.133
  291   1HG2  ILE  42          1HG2      ILE  42   5.576  13.890  -0.293
  292   2HG2  ILE  42          2HG2      ILE  42   7.058  13.454  -1.178
  293   3HG2  ILE  42          3HG2      ILE  42   5.742  14.313  -2.014
  294   1HD1  ILE  42          1HD1      ILE  42   5.047   9.859  -2.444
  295   2HD1  ILE  42          2HD1      ILE  42   6.298   8.992  -1.522
  296   3HD1  ILE  42          3HD1      ILE  42   4.723   9.346  -0.771
  297    HA   PRO  43           HA       PRO  43   0.991  11.334  -4.156
  298   1HB   PRO  43          1HB       PRO  43   0.544  13.487  -5.780
  299   2HB   PRO  43          2HB       PRO  43  -0.357  13.195  -4.306
  300   1HG   PRO  43          1HG       PRO  43   1.783  15.172  -4.809
  301   2HG   PRO  43          2HG       PRO  43   0.597  15.142  -3.519
  302   1HD   PRO  43          1HD       PRO  43   3.365  14.414  -3.324
  303   2HD   PRO  43          2HD       PRO  43   2.153  14.275  -2.065
  304    H    GLY  44           H        GLY  44   3.791  13.163  -5.149
  305   1HA   GLY  44          1HA       GLY  44   5.378  12.625  -6.661
  306   2HA   GLY  44          2HA       GLY  44   4.026  12.516  -7.771
  307    H    VAL  45           H        VAL  45   4.196  10.322  -4.987
  308    HA   VAL  45           HA       VAL  45   5.156   8.197  -6.766
  309    HB   VAL  45           HB       VAL  45   6.156   7.227  -4.985
  310   1HG1  VAL  45          1HG1      VAL  45   5.947  10.141  -4.176
  311   2HG1  VAL  45          2HG1      VAL  45   7.030   8.975  -3.379
  312   3HG1  VAL  45          3HG1      VAL  45   7.242   9.350  -5.106
  313   1HG2  VAL  45          1HG2      VAL  45   3.939   8.384  -3.280
  314   2HG2  VAL  45          2HG2      VAL  45   4.280   6.677  -3.650
  315   3HG2  VAL  45          3HG2      VAL  45   5.371   7.592  -2.581
  316    HA   PRO  46           HA       PRO  46   1.367   6.134  -6.455
  317   1HB   PRO  46          1HB       PRO  46   1.989   3.504  -6.047
  318   2HB   PRO  46          2HB       PRO  46   2.110   4.286  -7.610
  319   1HG   PRO  46          1HG       PRO  46   4.275   3.522  -5.748
  320   2HG   PRO  46          2HG       PRO  46   4.379   3.902  -7.456
  321   1HD   PRO  46          1HD       PRO  46   5.126   5.604  -5.271
  322   2HD   PRO  46          2HD       PRO  46   5.120   6.024  -6.972
  323    H    TRP  47           H        TRP  47   0.450   7.246  -4.700
  324    HA   TRP  47           HA       TRP  47   0.847   6.933  -2.115
  325   1HB   TRP  47          1HB       TRP  47  -1.633   7.246  -3.724
  326   2HB   TRP  47          2HB       TRP  47  -1.827   6.859  -2.026
  327    HD1  TRP  47           HD1      TRP  47   1.074   9.150  -3.116
  328    HE1  TRP  47           HE1      TRP  47   0.745  11.607  -2.212
  329    HE3  TRP  47           HE3      TRP  47  -3.636   8.428  -1.343
  330    HZ2  TRP  47           HZ2      TRP  47  -1.400  12.943  -0.886
  331    HZ3  TRP  47           HZ3      TRP  47  -4.777  10.360  -0.257
  332    HH2  TRP  47           HH2      TRP  47  -3.735  12.558  -0.016
  333    H    CYS  48           H        CYS  48  -1.161   4.644  -4.109
  334    HA   CYS  48           HA       CYS  48  -1.037   2.747  -1.916
  335   1HB   CYS  48          1HB       CYS  48  -3.152   3.364  -3.283
  336   2HB   CYS  48          2HB       CYS  48  -2.482   2.318  -4.518
  337    H    PHE  49           H        PHE  49   0.820   1.517  -1.890
  338    HA   PHE  49           HA       PHE  49   1.711   0.458  -4.475
  339   1HB   PHE  49          1HB       PHE  49   4.053   0.642  -3.316
  340   2HB   PHE  49          2HB       PHE  49   3.332   2.148  -3.849
  341    HD1  PHE  49           HD1      PHE  49   3.427  -0.037  -0.821
  342    HD2  PHE  49           HD2      PHE  49   3.280   3.913  -2.365
  343    HE1  PHE  49           HE1      PHE  49   3.620   0.880   1.507
  344    HE2  PHE  49           HE2      PHE  49   3.472   4.830  -0.036
  345    HZ   PHE  49           HZ       PHE  49   3.640   3.302   1.872
  346    H    LYS  50           H        LYS  50   3.174  -1.531  -4.162
  347    HA   LYS  50           HA       LYS  50   1.773  -3.394  -2.591
  348   1HB   LYS  50          1HB       LYS  50   4.446  -3.597  -4.010
  349   2HB   LYS  50          2HB       LYS  50   3.569  -4.950  -3.325
  350   1HG   LYS  50          1HG       LYS  50   1.555  -4.030  -4.802
  351   2HG   LYS  50          2HG       LYS  50   2.825  -3.220  -5.696
  352   1HD   LYS  50          1HD       LYS  50   3.834  -5.817  -5.395
  353   2HD   LYS  50          2HD       LYS  50   2.119  -6.089  -5.625
  354   1HE   LYS  50          1HE       LYS  50   2.902  -4.069  -7.513
  355   2HE   LYS  50          2HE       LYS  50   4.109  -5.336  -7.596
  356   1HZ   LYS  50          1HZ       LYS  50   2.327  -6.929  -7.869
  357   2HZ   LYS  50          2HZ       LYS  50   1.206  -5.743  -7.805
  358   3HZ   LYS  50          3HZ       LYS  50   2.270  -5.795  -9.042
  359    HA   PRO  51           HA       PRO  51   3.896  -3.232   1.161
  360   1HB   PRO  51          1HB       PRO  51   3.909  -5.831   2.005
  361   2HB   PRO  51          2HB       PRO  51   2.506  -4.789   2.135
  362   1HG   PRO  51          1HG       PRO  51   3.009  -6.989   0.225
  363   2HG   PRO  51          2HG       PRO  51   1.487  -6.231   0.651
  364   1HD   PRO  51          1HD       PRO  51   3.008  -5.800  -1.742
  365   2HD   PRO  51          2HD       PRO  51   1.548  -4.958  -1.262
  366    H    LEU  52           H        LEU  52   5.923  -2.697   1.642
  367    HA   LEU  52           HA       LEU  52   8.037  -3.289   0.131
  368   1HB   LEU  52          1HB       LEU  52   8.233  -1.702   1.848
  369   2HB   LEU  52          2HB       LEU  52   7.816  -2.859   3.097
  370    HG   LEU  52           HG       LEU  52  10.367  -2.980   1.467
  371   1HD1  LEU  52          1HD1      LEU  52  10.133  -0.904   2.881
  372   2HD1  LEU  52          2HD1      LEU  52  10.093  -1.971   4.305
  373   3HD1  LEU  52          3HD1      LEU  52  11.531  -1.941   3.256
  374   1HD2  LEU  52          1HD2      LEU  52   9.115  -4.761   3.409
  375   2HD2  LEU  52          2HD2      LEU  52  10.474  -5.045   2.295
  376   3HD2  LEU  52          3HD2      LEU  52  10.765  -4.284   3.878
  377    H    GLN  53           H        GLN  53   9.247  -5.027  -0.443
  378    HA   GLN  53           HA       GLN  53   8.408  -7.558   0.286
  379   1HB   GLN  53          1HB       GLN  53  10.710  -8.212  -0.770
  380   2HB   GLN  53          2HB       GLN  53   9.509  -7.436  -1.783
  381   1HG   GLN  53          1HG       GLN  53  11.300  -5.549  -0.327
  382   2HG   GLN  53          2HG       GLN  53  12.116  -6.567  -1.497
  383   2HE2  GLN  53          2HE2      GLN  53  11.012  -3.644  -1.199
  384   1HE2  GLN  53          1HE2      GLN  53  10.352  -3.296  -2.762
  385    H    GLU  54           H        GLU  54   8.351  -7.500   2.656
  386    HA   GLU  54           HA       GLU  54  10.725  -7.062   4.093
  387   1HB   GLU  54          1HB       GLU  54   9.354  -8.091   6.002
  388   2HB   GLU  54          2HB       GLU  54   8.679  -6.661   5.247
  389   1HG   GLU  54          1HG       GLU  54   7.813  -9.075   3.831
  390   2HG   GLU  54          2HG       GLU  54   7.429  -9.193   5.537
  391    H    ALA  55           H        ALA  55  11.887  -8.635   2.429
  392    HA   ALA  55           HA       ALA  55  11.798 -11.338   3.587
  393   1HB   ALA  55          1HB       ALA  55  11.938 -12.224   1.492
  394   2HB   ALA  55          2HB       ALA  55  13.004 -10.927   0.901
  395   3HB   ALA  55          3HB       ALA  55  11.247 -10.659   1.002
  396    H    GLU  56           H        GLU  56  14.039  -9.160   1.717
  397    HA   GLU  56           HA       GLU  56  15.873  -8.989   3.785
  398   1HB   GLU  56          1HB       GLU  56  16.288 -11.379   3.386
  399   2HB   GLU  56          2HB       GLU  56  16.536 -11.089   1.676
  400   1HG   GLU  56          1HG       GLU  56  18.536  -9.732   2.137
  401   2HG   GLU  56          2HG       GLU  56  18.246  -9.818   3.863
  402    H    CYS  57           H        CYS  57  17.679  -7.606   3.205
  403    HA   CYS  57           HA       CYS  57  17.132  -6.157   0.760
  404   1HB   CYS  57          1HB       CYS  57  18.802  -4.539   1.688
  405   2HB   CYS  57          2HB       CYS  57  17.343  -4.755   2.634
  406    H    THR  58           H        THR  58  18.203  -6.779  -1.083
  407    HA   THR  58           HA       THR  58  20.980  -7.694  -0.778
  408    HB   THR  58           HB       THR  58  18.675  -8.988  -2.314
  409    HG1  THR  58           HG1      THR  58  20.758  -9.904  -0.461
  410   1HG2  THR  58          1HG2      THR  58  21.659  -9.680  -2.391
  411   2HG2  THR  58          2HG2      THR  58  20.348 -10.588  -3.183
  412   3HG2  THR  58          3HG2      THR  58  20.762  -8.951  -3.745
  413    H    PHE  59           H        PHE  59  18.534  -6.888  -3.341
  414    HA   PHE  59           HA       PHE  59  20.657  -5.543  -4.784
  415   1HB   PHE  59          1HB       PHE  59  18.113  -6.908  -5.279
  416   2HB   PHE  59          2HB       PHE  59  18.014  -5.296  -5.959
  417    HD1  PHE  59           HD1      PHE  59  20.589  -4.741  -7.057
  418    HD2  PHE  59           HD2      PHE  59  18.520  -8.445  -6.940
  419    HE1  PHE  59           HE1      PHE  59  21.861  -5.515  -9.078
  420    HE2  PHE  59           HE2      PHE  59  19.793  -9.219  -8.961
  421    HZ   PHE  59           HZ       PHE  59  21.448  -7.745 -10.005

  No H/Q in entry =         421
  Start of MODEL   59
    1    H    GLU   1           H        GLU   1   7.644 -13.219  19.939
    2    HA   GLU   1           HA       GLU   1   8.771 -12.046  22.001
    3   1HB   GLU   1          1HB       GLU   1  10.959 -13.099  20.885
    4   2HB   GLU   1          2HB       GLU   1  10.893 -11.655  19.894
    5   1HG   GLU   1          1HG       GLU   1  11.250 -10.211  21.714
    6   2HG   GLU   1          2HG       GLU   1  10.582 -11.336  22.879
    7    H    GLU   2           H        GLU   2   6.641 -11.165  21.128
    8    HA   GLU   2           HA       GLU   2   5.433  -9.761  19.942
    9   1HB   GLU   2          1HB       GLU   2   7.682  -8.300  21.183
   10   2HB   GLU   2          2HB       GLU   2   6.928  -7.407  19.877
   11   1HG   GLU   2          1HG       GLU   2   5.102  -6.950  21.146
   12   2HG   GLU   2          2HG       GLU   2   4.864  -8.647  21.515
   13    H    TYR   3           H        TYR   3   5.325 -10.631  17.830
   14    HA   TYR   3           HA       TYR   3   7.324  -9.572  15.951
   15   1HB   TYR   3          1HB       TYR   3   7.037 -12.105  16.309
   16   2HB   TYR   3          2HB       TYR   3   5.359 -11.945  15.832
   17    HD1  TYR   3           HD1      TYR   3   8.747 -11.014  14.494
   18    HD2  TYR   3           HD2      TYR   3   4.833 -12.523  13.652
   19    HE1  TYR   3           HE1      TYR   3   9.399 -11.368  12.061
   20    HE2  TYR   3           HE2      TYR   3   5.498 -12.871  11.223
   21    HH   TYR   3           HH       TYR   3   8.800 -12.138  10.135
   22    H    VAL   4           H        VAL   4   6.661  -8.085  14.480
   23    HA   VAL   4           HA       VAL   4   3.922  -8.168  13.555
   24    HB   VAL   4           HB       VAL   4   3.626  -6.803  15.471
   25   1HG1  VAL   4          1HG1      VAL   4   6.054  -5.226  14.552
   26   2HG1  VAL   4          2HG1      VAL   4   4.986  -4.772  15.901
   27   3HG1  VAL   4          3HG1      VAL   4   5.941  -6.271  15.989
   28   1HG2  VAL   4          1HG2      VAL   4   3.862  -5.177  12.925
   29   2HG2  VAL   4          2HG2      VAL   4   2.413  -5.948  13.613
   30   3HG2  VAL   4          3HG2      VAL   4   3.140  -4.540  14.422
   31    H    GLY   5           H        GLY   5   3.956  -7.889  11.383
   32   1HA   GLY   5          1HA       GLY   5   5.784  -7.863   9.628
   33   2HA   GLY   5          2HA       GLY   5   6.148  -6.266  10.251
   34    H    LEU   6           H        LEU   6   2.909  -6.428  10.789
   35    HA   LEU   6           HA       LEU   6   2.226  -5.614   8.054
   36   1HB   LEU   6          1HB       LEU   6  -0.069  -6.147   8.627
   37   2HB   LEU   6          2HB       LEU   6   0.988  -7.533   8.806
   38    HG   LEU   6           HG       LEU   6   0.454  -5.907  11.250
   39   1HD1  LEU   6          1HD1      LEU   6  -1.688  -6.867   9.629
   40   2HD1  LEU   6          2HD1      LEU   6  -1.601  -7.869  11.097
   41   3HD1  LEU   6          3HD1      LEU   6  -1.753  -6.101  11.235
   42   1HD2  LEU   6          1HD2      LEU   6   1.774  -8.258  10.741
   43   2HD2  LEU   6          2HD2      LEU   6   1.171  -7.729  12.330
   44   3HD2  LEU   6          3HD2      LEU   6   0.194  -8.829  11.328
   45    H    SER   7           H        SER   7   1.326  -3.587   7.670
   46    HA   SER   7           HA       SER   7   0.614  -1.559   8.080
   47   1HB   SER   7          1HB       SER   7  -0.400  -0.947  10.080
   48   2HB   SER   7          2HB       SER   7  -0.435  -2.693  10.234
   49    HG   SER   7           HG       SER   7   1.244  -2.653  11.699
   50    H    ALA   8           H        ALA   8   1.989   0.147   7.707
   51    HA   ALA   8           HA       ALA   8   3.728   1.510   7.861
   52   1HB   ALA   8          1HB       ALA   8   4.857   1.812  10.008
   53   2HB   ALA   8          2HB       ALA   8   4.205   0.265  10.599
   54   3HB   ALA   8          3HB       ALA   8   3.107   1.627  10.274
   55    H    ASN   9           H        ASN   9   5.035  -1.298   9.751
   56    HA   ASN   9           HA       ASN   9   7.460  -1.331   8.595
   57   1HB   ASN   9          1HB       ASN   9   5.708  -3.393   9.902
   58   2HB   ASN   9          2HB       ASN   9   7.072  -4.023   9.001
   59   2HD2  ASN   9          2HD2      ASN   9   5.995  -2.577  11.860
   60   1HD2  ASN   9          1HD2      ASN   9   7.515  -2.290  12.639
   61    H    GLN  10           H        GLN  10   4.366  -2.793   7.469
   62    HA   GLN  10           HA       GLN  10   5.616  -4.144   5.305
   63   1HB   GLN  10          1HB       GLN  10   3.306  -4.567   6.644
   64   2HB   GLN  10          2HB       GLN  10   2.659  -3.617   5.322
   65   1HG   GLN  10          1HG       GLN  10   4.137  -5.260   3.820
   66   2HG   GLN  10          2HG       GLN  10   4.045  -6.303   5.225
   67   2HE2  GLN  10          2HE2      GLN  10   2.884  -7.754   3.865
   68   1HE2  GLN  10          1HE2      GLN  10   1.184  -7.562   3.588
   69    H    CYS  11           H        CYS  11   4.169  -0.977   5.912
   70    HA   CYS  11           HA       CYS  11   4.500  -0.380   3.061
   71   1HB   CYS  11          1HB       CYS  11   2.742   1.385   4.645
   72   2HB   CYS  11          2HB       CYS  11   2.597   0.826   2.990
   73    H    ALA  12           H        ALA  12   6.765  -0.327   4.598
   74    HA   ALA  12           HA       ALA  12   7.051   2.496   5.367
   75   1HB   ALA  12          1HB       ALA  12   9.198   1.256   6.485
   76   2HB   ALA  12          2HB       ALA  12   7.638   1.466   7.317
   77   3HB   ALA  12          3HB       ALA  12   8.018  -0.076   6.512
   78    H    VAL  13           H        VAL  13   7.068   2.114   2.683
   79    HA   VAL  13           HA       VAL  13   9.795   1.567   1.860
   80    HB   VAL  13           HB       VAL  13   7.795   2.565  -0.071
   81   1HG1  VAL  13          1HG1      VAL  13  10.071   0.696   0.053
   82   2HG1  VAL  13          2HG1      VAL  13   8.714   0.134  -0.952
   83   3HG1  VAL  13          3HG1      VAL  13   9.481   1.703  -1.290
   84   1HG2  VAL  13          1HG2      VAL  13   7.339   0.082   1.582
   85   2HG2  VAL  13          2HG2      VAL  13   6.186   1.359   1.124
   86   3HG2  VAL  13          3HG2      VAL  13   6.753   0.193  -0.095
   87    HA   PRO  14           HA       PRO  14  10.903   5.744   1.773
   88   1HB   PRO  14          1HB       PRO  14  12.981   5.697  -0.002
   89   2HB   PRO  14          2HB       PRO  14  13.143   5.220   1.677
   90   1HG   PRO  14          1HG       PRO  14  13.028   3.511  -0.733
   91   2HG   PRO  14          2HG       PRO  14  13.605   3.108   0.872
   92   1HD   PRO  14          1HD       PRO  14  11.095   2.349  -0.290
   93   2HD   PRO  14          2HD       PRO  14  11.624   2.046   1.353
   94    H    ALA  15           H        ALA  15   9.241   4.316  -0.614
   95    HA   ALA  15           HA       ALA  15   7.806   5.357  -2.017
   96   1HB   ALA  15          1HB       ALA  15   9.415   7.872  -2.237
   97   2HB   ALA  15          2HB       ALA  15   7.650   7.647  -2.167
   98   3HB   ALA  15          3HB       ALA  15   8.621   7.541  -0.679
   99    H    LYS  16           H        LYS  16  11.295   5.223  -2.226
  100    HA   LYS  16           HA       LYS  16  11.220   5.394  -5.130
  101   1HB   LYS  16          1HB       LYS  16  13.646   5.398  -4.987
  102   2HB   LYS  16          2HB       LYS  16  12.969   6.623  -3.934
  103   1HG   LYS  16          1HG       LYS  16  14.663   5.531  -2.635
  104   2HG   LYS  16          2HG       LYS  16  13.139   4.928  -2.015
  105   1HD   LYS  16          1HD       LYS  16  13.442   2.798  -2.917
  106   2HD   LYS  16          2HD       LYS  16  14.387   3.383  -4.272
  107   1HE   LYS  16          1HE       LYS  16  16.230   2.680  -3.139
  108   2HE   LYS  16          2HE       LYS  16  15.988   4.051  -2.074
  109   1HZ   LYS  16          1HZ       LYS  16  14.579   1.526  -1.629
  110   2HZ   LYS  16          2HZ       LYS  16  16.081   1.775  -1.041
  111   3HZ   LYS  16          3HZ       LYS  16  14.849   2.735  -0.566
  112    H    ASP  17           H        ASP  17  10.119   3.161  -3.169
  113    HA   ASP  17           HA       ASP  17  11.271   1.031  -4.773
  114   1HB   ASP  17          1HB       ASP  17  11.524   1.379  -1.916
  115   2HB   ASP  17          2HB       ASP  17  10.480  -0.001  -2.192
  116    H    ARG  18           H        ARG  18   8.687   2.815  -4.511
  117    HA   ARG  18           HA       ARG  18   6.698   1.009  -3.655
  118   1HB   ARG  18          1HB       ARG  18   6.296   3.466  -5.424
  119   2HB   ARG  18          2HB       ARG  18   5.125   2.738  -4.342
  120   1HG   ARG  18          1HG       ARG  18   7.745   4.027  -3.442
  121   2HG   ARG  18          2HG       ARG  18   6.182   4.819  -3.398
  122   1HD   ARG  18          1HD       ARG  18   5.419   2.725  -1.984
  123   2HD   ARG  18          2HD       ARG  18   7.134   2.444  -1.759
  124    HE   ARG  18           HE       ARG  18   7.136   4.187  -0.217
  125   1HH1  ARG  18          1HH1      ARG  18   4.507   4.728  -2.493
  126   2HH1  ARG  18          2HH1      ARG  18   3.938   6.155  -1.692
  127   1HH2  ARG  18          1HH2      ARG  18   6.385   6.069   0.840
  128   2HH2  ARG  18          2HH2      ARG  18   5.013   6.923   0.216
  129    H    VAL  19           H        VAL  19   5.886  -0.695  -4.837
  130    HA   VAL  19           HA       VAL  19   6.591  -0.899  -7.621
  131    HB   VAL  19           HB       VAL  19   4.843  -2.791  -6.073
  132   1HG1  VAL  19          1HG1      VAL  19   6.164  -2.784  -8.638
  133   2HG1  VAL  19          2HG1      VAL  19   6.788  -4.118  -7.638
  134   3HG1  VAL  19          3HG1      VAL  19   5.041  -3.980  -7.949
  135   1HG2  VAL  19          1HG2      VAL  19   7.821  -2.370  -5.788
  136   2HG2  VAL  19          2HG2      VAL  19   6.584  -2.523  -4.517
  137   3HG2  VAL  19          3HG2      VAL  19   7.063  -3.949  -5.468
  138    H    ASP  20           H        ASP  20   4.118   0.584  -5.818
  139    HA   ASP  20           HA       ASP  20   2.188   1.432  -6.318
  140   1HB   ASP  20          1HB       ASP  20   3.138   2.549  -8.197
  141   2HB   ASP  20          2HB       ASP  20   3.331   1.062  -9.102
  142    H    CYS  21           H        CYS  21   0.429   0.134  -5.753
  143    HA   CYS  21           HA       CYS  21   0.105  -2.432  -6.956
  144   1HB   CYS  21          1HB       CYS  21  -0.537  -1.377  -4.527
  145   2HB   CYS  21          2HB       CYS  21  -2.096  -1.333  -5.325
  146    H    GLY  22           H        GLY  22  -0.875   0.857  -7.570
  147   1HA   GLY  22          1HA       GLY  22  -2.212   0.183  -9.968
  148   2HA   GLY  22          2HA       GLY  22  -2.121   1.761  -9.212
  149    H    TYR  23           H        TYR  23  -3.785   2.480  -7.779
  150    HA   TYR  23           HA       TYR  23  -6.234   0.899  -8.022
  151   1HB   TYR  23          1HB       TYR  23  -4.677   1.851  -5.589
  152   2HB   TYR  23          2HB       TYR  23  -6.424   1.942  -5.485
  153    HD1  TYR  23           HD1      TYR  23  -7.706  -0.290  -6.160
  154    HD2  TYR  23           HD2      TYR  23  -3.615  -0.110  -4.921
  155    HE1  TYR  23           HE1      TYR  23  -7.788  -2.745  -5.505
  156    HE2  TYR  23           HE2      TYR  23  -3.711  -2.566  -4.271
  157    HH   TYR  23           HH       TYR  23  -6.009  -4.145  -3.541
  158    HA   PRO  24           HA       PRO  24  -7.883   4.818  -8.841
  159   1HB   PRO  24          1HB       PRO  24 -10.551   4.306  -8.543
  160   2HB   PRO  24          2HB       PRO  24  -9.655   3.905  -9.994
  161   1HG   PRO  24          1HG       PRO  24 -10.614   2.108  -7.851
  162   2HG   PRO  24          2HG       PRO  24 -10.107   1.702  -9.479
  163   1HD   PRO  24          1HD       PRO  24  -8.597   1.331  -7.068
  164   2HD   PRO  24          2HD       PRO  24  -8.048   1.033  -8.706
  165    H    HIS  25           H        HIS  25 -10.074   3.622  -6.352
  166    HA   HIS  25           HA       HIS  25  -9.713   6.159  -5.010
  167   1HB   HIS  25          1HB       HIS  25 -11.663   5.610  -3.773
  168   2HB   HIS  25          2HB       HIS  25 -11.972   5.185  -5.445
  169    HD1  HIS  25           HD1      HIS  25 -13.599   3.895  -3.137
  170    HD2  HIS  25           HD2      HIS  25 -10.177   2.186  -4.860
  171    HE1  HIS  25           HE1      HIS  25 -13.744   1.389  -2.680
  172    HE2  HIS  25           HE2      HIS  25 -11.643   0.386  -3.809
  173    H    VAL  26           H        VAL  26  -7.536   5.934  -4.245
  174    HA   VAL  26           HA       VAL  26  -7.088   3.734  -2.382
  175    HB   VAL  26           HB       VAL  26  -4.740   4.559  -2.456
  176   1HG1  VAL  26          1HG1      VAL  26  -6.050   3.839  -5.099
  177   2HG1  VAL  26          2HG1      VAL  26  -4.298   3.782  -4.785
  178   3HG1  VAL  26          3HG1      VAL  26  -5.401   2.717  -3.879
  179   1HG2  VAL  26          1HG2      VAL  26  -5.731   6.914  -3.333
  180   2HG2  VAL  26          2HG2      VAL  26  -4.055   6.386  -3.618
  181   3HG2  VAL  26          3HG2      VAL  26  -5.282   6.176  -4.890
  182    H    THR  27           H        THR  27  -6.754   4.041  -0.177
  183    HA   THR  27           HA       THR  27  -6.579   6.737   0.854
  184    HB   THR  27           HB       THR  27  -8.690   6.787   1.912
  185    HG1  THR  27           HG1      THR  27  -8.317   3.921   1.574
  186   1HG2  THR  27          1HG2      THR  27  -9.164   5.011  -0.541
  187   2HG2  THR  27          2HG2      THR  27 -10.436   5.883   0.347
  188   3HG2  THR  27          3HG2      THR  27  -9.181   6.791  -0.530
  189    HA   PRO  28           HA       PRO  28  -4.561   4.756   4.088
  190   1HB   PRO  28          1HB       PRO  28  -5.327   6.067   6.361
  191   2HB   PRO  28          2HB       PRO  28  -4.155   6.714   5.230
  192   1HG   PRO  28          1HG       PRO  28  -6.974   7.507   5.634
  193   2HG   PRO  28          2HG       PRO  28  -5.688   8.393   4.839
  194   1HD   PRO  28          1HD       PRO  28  -7.827   6.965   3.569
  195   2HD   PRO  28          2HD       PRO  28  -6.477   7.753   2.777
  196    H    LYS  29           H        LYS  29  -6.861   3.359   3.226
  197    HA   LYS  29           HA       LYS  29  -6.996   1.477   5.261
  198   1HB   LYS  29          1HB       LYS  29  -8.349   3.497   6.239
  199   2HB   LYS  29          2HB       LYS  29  -9.609   2.962   5.147
  200   1HG   LYS  29          1HG       LYS  29  -8.263   0.868   6.846
  201   2HG   LYS  29          2HG       LYS  29  -9.365   1.971   7.645
  202   1HD   LYS  29          1HD       LYS  29 -10.576   1.068   5.164
  203   2HD   LYS  29          2HD       LYS  29 -10.018  -0.329   6.063
  204   1HE   LYS  29          1HE       LYS  29 -12.144  -0.034   6.997
  205   2HE   LYS  29          2HE       LYS  29 -11.163   0.870   8.133
  206   1HZ   LYS  29          1HZ       LYS  29 -12.249   2.241   5.808
  207   2HZ   LYS  29          2HZ       LYS  29 -13.227   1.942   7.081
  208   3HZ   LYS  29          3HZ       LYS  29 -11.880   2.843   7.280
  209    H    GLU  30           H        GLU  30  -9.099   3.077   2.767
  210    HA   GLU  30           HA       GLU  30 -10.209   0.715   1.871
  211   1HB   GLU  30          1HB       GLU  30 -11.111   2.974   1.375
  212   2HB   GLU  30          2HB       GLU  30  -9.726   3.321   0.359
  213   1HG   GLU  30          1HG       GLU  30 -10.593   2.162  -1.403
  214   2HG   GLU  30          2HG       GLU  30 -10.998   0.781  -0.402
  215    H    CYS  31           H        CYS  31  -7.263   2.520   0.825
  216    HA   CYS  31           HA       CYS  31  -6.709   0.884  -1.372
  217   1HB   CYS  31          1HB       CYS  31  -5.580   2.860  -1.484
  218   2HB   CYS  31          2HB       CYS  31  -5.231   2.904   0.232
  219    H    ASN  32           H        ASN  32  -5.835   0.805   2.126
  220    HA   ASN  32           HA       ASN  32  -4.156  -1.460   1.758
  221   1HB   ASN  32          1HB       ASN  32  -3.448  -0.934   3.877
  222   2HB   ASN  32          2HB       ASN  32  -4.438   0.505   3.724
  223   2HD2  ASN  32          2HD2      ASN  32  -3.875  -2.329   5.423
  224   1HD2  ASN  32          1HD2      ASN  32  -5.311  -2.401   6.389
  225    H    ASN  33           H        ASN  33  -7.472  -0.989   1.663
  226    HA   ASN  33           HA       ASN  33  -8.090  -3.400   3.146
  227   1HB   ASN  33          1HB       ASN  33  -9.517  -1.405   3.569
  228   2HB   ASN  33          2HB       ASN  33  -9.885  -1.274   1.861
  229   2HD2  ASN  33          2HD2      ASN  33 -12.048  -1.342   3.084
  230   1HD2  ASN  33          1HD2      ASN  33 -12.831  -2.883   3.183
  231    H    ARG  34           H        ARG  34  -8.105  -1.858  -0.097
  232    HA   ARG  34           HA       ARG  34  -9.619  -3.736  -1.415
  233   1HB   ARG  34          1HB       ARG  34  -8.420  -1.388  -2.116
  234   2HB   ARG  34          2HB       ARG  34  -7.289  -2.498  -2.864
  235   1HG   ARG  34          1HG       ARG  34  -9.157  -1.798  -4.403
  236   2HG   ARG  34          2HG       ARG  34  -9.053  -3.535  -4.189
  237   1HD   ARG  34          1HD       ARG  34 -11.078  -3.659  -3.102
  238   2HD   ARG  34          2HD       ARG  34 -10.798  -2.188  -2.192
  239    HE   ARG  34           HE       ARG  34 -11.168  -1.448  -4.917
  240   1HH1  ARG  34          1HH1      ARG  34 -13.019  -2.835  -2.266
  241   2HH1  ARG  34          2HH1      ARG  34 -14.535  -2.219  -2.832
  242   1HH2  ARG  34          1HH2      ARG  34 -13.168  -0.634  -5.666
  243   2HH2  ARG  34          2HH2      ARG  34 -14.621  -0.958  -4.779
  244    H    GLY  35           H        GLY  35  -6.287  -3.791  -0.243
  245   1HA   GLY  35          1HA       GLY  35  -5.840  -6.357  -1.649
  246   2HA   GLY  35          2HA       GLY  35  -5.462  -6.108   0.044
  247    H    CYS  36           H        CYS  36  -3.960  -4.131   0.520
  248    HA   CYS  36           HA       CYS  36  -1.537  -4.554  -0.611
  249   1HB   CYS  36          1HB       CYS  36  -3.122  -3.195  -2.493
  250   2HB   CYS  36          2HB       CYS  36  -2.051  -1.980  -1.825
  251    H    CYS  37           H        CYS  37  -0.603  -1.736  -0.630
  252    HA   CYS  37           HA       CYS  37  -1.287  -1.025   2.131
  253   1HB   CYS  37          1HB       CYS  37   1.340  -1.379   0.808
  254   2HB   CYS  37          2HB       CYS  37   1.186   0.032   1.837
  255    H    PHE  38           H        PHE  38  -1.196   1.340   2.568
  256    HA   PHE  38           HA       PHE  38  -1.541   2.887   0.095
  257   1HB   PHE  38          1HB       PHE  38  -3.651   2.595   1.362
  258   2HB   PHE  38          2HB       PHE  38  -2.849   2.972   2.874
  259    HD1  PHE  38           HD1      PHE  38  -4.148   4.387  -0.260
  260    HD2  PHE  38           HD2      PHE  38  -2.461   5.248   3.538
  261    HE1  PHE  38           HE1      PHE  38  -4.791   6.799  -0.520
  262    HE2  PHE  38           HE2      PHE  38  -3.105   7.660   3.277
  263    HZ   PHE  38           HZ       PHE  38  -4.263   8.406   1.251
  264    H    ASP  39           H        ASP  39  -1.345   5.400   0.694
  265    HA   ASP  39           HA       ASP  39   0.294   6.117   2.797
  266   1HB   ASP  39          1HB       ASP  39   2.108   4.929   1.721
  267   2HB   ASP  39          2HB       ASP  39   1.688   5.571   0.146
  268    H    SER  40           H        SER  40   0.474   8.456   2.820
  269    HA   SER  40           HA       SER  40  -0.436   9.771   0.392
  270   1HB   SER  40          1HB       SER  40  -1.881  11.272   1.722
  271   2HB   SER  40          2HB       SER  40  -2.381   9.601   1.898
  272    HG   SER  40           HG       SER  40  -1.695  11.340   3.844
  273    H    ARG  41           H        ARG  41   2.172   9.277   2.065
  274    HA   ARG  41           HA       ARG  41   2.889  11.647   3.256
  275   1HB   ARG  41          1HB       ARG  41   4.057   9.200   2.987
  276   2HB   ARG  41          2HB       ARG  41   5.000  10.073   1.795
  277   1HG   ARG  41          1HG       ARG  41   4.757  11.714   4.178
  278   2HG   ARG  41          2HG       ARG  41   5.295  10.114   4.648
  279   1HD   ARG  41          1HD       ARG  41   6.987  10.365   2.622
  280   2HD   ARG  41          2HD       ARG  41   6.637  12.077   2.762
  281    HE   ARG  41           HE       ARG  41   7.949  12.132   4.688
  282   1HH1  ARG  41          1HH1      ARG  41   6.846   8.829   4.181
  283   2HH1  ARG  41          2HH1      ARG  41   7.760   8.185   5.504
  284   1HH2  ARG  41          1HH2      ARG  41   9.155  11.283   6.434
  285   2HH2  ARG  41          2HH2      ARG  41   9.082   9.590   6.794
  286    H    ILE  42           H        ILE  42   3.418  10.427  -0.123
  287    HA   ILE  42           HA       ILE  42   3.568  13.185  -1.015
  288    HB   ILE  42           HB       ILE  42   5.588  12.080  -2.481
  289   1HG1  ILE  42          1HG1      ILE  42   7.172  11.090  -0.855
  290   2HG1  ILE  42          2HG1      ILE  42   5.913  11.080   0.364
  291   1HG2  ILE  42          1HG2      ILE  42   5.311  14.035  -0.301
  292   2HG2  ILE  42          2HG2      ILE  42   6.954  13.381  -0.506
  293   3HG2  ILE  42          3HG2      ILE  42   6.131  14.167  -1.875
  294   1HD1  ILE  42          1HD1      ILE  42   5.078   9.841  -2.198
  295   2HD1  ILE  42          2HD1      ILE  42   6.426   9.005  -1.391
  296   3HD1  ILE  42          3HD1      ILE  42   4.886   9.247  -0.531
  297    HA   PRO  43           HA       PRO  43   1.151  11.320  -4.088
  298   1HB   PRO  43          1HB       PRO  43   0.842  13.471  -5.746
  299   2HB   PRO  43          2HB       PRO  43  -0.136  13.216  -4.314
  300   1HG   PRO  43          1HG       PRO  43   2.080  15.129  -4.729
  301   2HG   PRO  43          2HG       PRO  43   0.834  15.142  -3.496
  302   1HD   PRO  43          1HD       PRO  43   3.568  14.340  -3.165
  303   2HD   PRO  43          2HD       PRO  43   2.295  14.245  -1.965
  304    H    GLY  44           H        GLY  44   4.045  13.063  -4.960
  305   1HA   GLY  44          1HA       GLY  44   5.711  12.384  -6.341
  306   2HA   GLY  44          2HA       GLY  44   4.437  12.474  -7.541
  307    H    VAL  45           H        VAL  45   4.806  10.152  -4.785
  308    HA   VAL  45           HA       VAL  45   5.403   8.038  -6.694
  309    HB   VAL  45           HB       VAL  45   6.309   6.892  -4.953
  310   1HG1  VAL  45          1HG1      VAL  45   7.043   9.500  -5.099
  311   2HG1  VAL  45          2HG1      VAL  45   6.584   9.393  -3.382
  312   3HG1  VAL  45          3HG1      VAL  45   7.828   8.303  -4.041
  313   1HG2  VAL  45          1HG2      VAL  45   4.326   8.284  -3.129
  314   2HG2  VAL  45          2HG2      VAL  45   4.362   6.568  -3.602
  315   3HG2  VAL  45          3HG2      VAL  45   5.632   7.226  -2.543
  316    HA   PRO  46           HA       PRO  46   1.482   6.232  -6.436
  317   1HB   PRO  46          1HB       PRO  46   1.926   3.548  -6.175
  318   2HB   PRO  46          2HB       PRO  46   2.082   4.401  -7.698
  319   1HG   PRO  46          1HG       PRO  46   4.211   3.394  -5.911
  320   2HG   PRO  46          2HG       PRO  46   4.321   3.856  -7.598
  321   1HD   PRO  46          1HD       PRO  46   5.209   5.385  -5.340
  322   2HD   PRO  46          2HD       PRO  46   5.212   5.894  -7.017
  323    H    TRP  47           H        TRP  47   0.596   7.269  -4.643
  324    HA   TRP  47           HA       TRP  47   0.986   6.890  -2.083
  325   1HB   TRP  47          1HB       TRP  47  -1.520   7.186  -3.661
  326   2HB   TRP  47          2HB       TRP  47  -1.681   6.786  -1.962
  327    HD1  TRP  47           HD1      TRP  47   1.214   9.092  -2.979
  328    HE1  TRP  47           HE1      TRP  47   0.849  11.551  -2.092
  329    HE3  TRP  47           HE3      TRP  47  -3.561   8.370  -1.386
  330    HZ2  TRP  47           HZ2      TRP  47  -1.347  12.888  -0.852
  331    HZ3  TRP  47           HZ3      TRP  47  -4.744  10.303  -0.348
  332    HH2  TRP  47           HH2      TRP  47  -3.713  12.502  -0.071
  333    H    CYS  48           H        CYS  48  -1.092   4.637  -4.053
  334    HA   CYS  48           HA       CYS  48  -0.930   2.701  -1.913
  335   1HB   CYS  48          1HB       CYS  48  -3.018   3.308  -3.341
  336   2HB   CYS  48          2HB       CYS  48  -2.303   2.260  -4.550
  337    H    PHE  49           H        PHE  49   0.736   1.234  -1.871
  338    HA   PHE  49           HA       PHE  49   1.749   0.276  -4.432
  339   1HB   PHE  49          1HB       PHE  49   4.089   0.512  -3.295
  340   2HB   PHE  49          2HB       PHE  49   3.343   2.007  -3.823
  341    HD1  PHE  49           HD1      PHE  49   3.691  -0.161  -0.815
  342    HD2  PHE  49           HD2      PHE  49   3.084   3.761  -2.318
  343    HE1  PHE  49           HE1      PHE  49   3.892   0.761   1.511
  344    HE2  PHE  49           HE2      PHE  49   3.285   4.683   0.008
  345    HZ   PHE  49           HZ       PHE  49   3.686   3.172   1.894
  346    H    LYS  50           H        LYS  50   3.216  -1.698  -4.093
  347    HA   LYS  50           HA       LYS  50   1.840  -3.524  -2.441
  348   1HB   LYS  50          1HB       LYS  50   4.521  -3.914  -3.795
  349   2HB   LYS  50          2HB       LYS  50   3.385  -5.153  -3.300
  350   1HG   LYS  50          1HG       LYS  50   1.681  -4.147  -4.894
  351   2HG   LYS  50          2HG       LYS  50   2.916  -3.035  -5.450
  352   1HD   LYS  50          1HD       LYS  50   3.227  -4.709  -7.021
  353   2HD   LYS  50          2HD       LYS  50   4.322  -5.301  -5.788
  354   1HE   LYS  50          1HE       LYS  50   2.844  -6.995  -5.082
  355   2HE   LYS  50          2HE       LYS  50   1.422  -6.139  -5.643
  356   1HZ   LYS  50          1HZ       LYS  50   2.860  -6.540  -7.889
  357   2HZ   LYS  50          2HZ       LYS  50   3.102  -7.926  -7.060
  358   3HZ   LYS  50          3HZ       LYS  50   1.583  -7.436  -7.407
  359    HA   PRO  51           HA       PRO  51   4.142  -3.354   1.205
  360   1HB   PRO  51          1HB       PRO  51   4.310  -5.957   2.022
  361   2HB   PRO  51          2HB       PRO  51   2.870  -4.980   2.225
  362   1HG   PRO  51          1HG       PRO  51   3.384  -7.140   0.274
  363   2HG   PRO  51          2HG       PRO  51   1.850  -6.455   0.775
  364   1HD   PRO  51          1HD       PRO  51   3.241  -5.937  -1.680
  365   2HD   PRO  51          2HD       PRO  51   1.767  -5.166  -1.127
  366    H    LEU  52           H        LEU  52   6.167  -2.793   1.690
  367    HA   LEU  52           HA       LEU  52   8.247  -3.163   0.093
  368   1HB   LEU  52          1HB       LEU  52   8.628  -1.771   1.865
  369   2HB   LEU  52          2HB       LEU  52   7.995  -2.898   3.048
  370    HG   LEU  52           HG       LEU  52  10.553  -3.560   1.624
  371   1HD1  LEU  52          1HD1      LEU  52  10.314  -1.115   2.829
  372   2HD1  LEU  52          2HD1      LEU  52  10.908  -2.128   4.167
  373   3HD1  LEU  52          3HD1      LEU  52  11.829  -2.030   2.647
  374   1HD2  LEU  52          1HD2      LEU  52   9.452  -4.159   4.382
  375   2HD2  LEU  52          2HD2      LEU  52   9.600  -5.284   3.010
  376   3HD2  LEU  52          3HD2      LEU  52  11.062  -4.644   3.799
  377    H    GLN  53           H        GLN  53   9.922  -4.668  -0.300
  378    HA   GLN  53           HA       GLN  53   9.077  -7.335  -0.101
  379   1HB   GLN  53          1HB       GLN  53  11.280  -5.822  -1.340
  380   2HB   GLN  53          2HB       GLN  53  11.801  -7.393  -0.764
  381   1HG   GLN  53          1HG       GLN  53  10.915  -7.385  -3.148
  382   2HG   GLN  53          2HG       GLN  53  10.139  -8.545  -2.088
  383   2HE2  GLN  53          2HE2      GLN  53   9.738  -5.026  -2.252
  384   1HE2  GLN  53          1HE2      GLN  53   8.057  -5.008  -2.671
  385    H    GLU  54           H        GLU  54   8.769  -7.462   2.286
  386    HA   GLU  54           HA       GLU  54  10.631  -7.029   4.162
  387   1HB   GLU  54          1HB       GLU  54   9.386  -8.481   5.573
  388   2HB   GLU  54          2HB       GLU  54   8.220  -7.896   4.404
  389   1HG   GLU  54          1HG       GLU  54   8.877 -10.043   3.020
  390   2HG   GLU  54          2HG       GLU  54   9.550 -10.622   4.530
  391    H    ALA  55           H        ALA  55  12.747  -7.627   4.301
  392    HA   ALA  55           HA       ALA  55  13.389 -10.423   3.798
  393   1HB   ALA  55          1HB       ALA  55  15.022  -9.994   2.183
  394   2HB   ALA  55          2HB       ALA  55  13.737  -8.854   1.717
  395   3HB   ALA  55          3HB       ALA  55  15.155  -8.275   2.624
  396    H    GLU  56           H        GLU  56  13.272 -10.107   6.250
  397    HA   GLU  56           HA       GLU  56  14.177  -9.699   8.199
  398   1HB   GLU  56          1HB       GLU  56  15.712 -11.460   6.978
  399   2HB   GLU  56          2HB       GLU  56  16.903 -10.175   6.966
  400   1HG   GLU  56          1HG       GLU  56  16.034 -10.048   9.584
  401   2HG   GLU  56          2HG       GLU  56  15.848 -11.760   9.261
  402    H    CYS  57           H        CYS  57  13.561  -7.322   7.787
  403    HA   CYS  57           HA       CYS  57  14.006  -5.174   7.891
  404   1HB   CYS  57          1HB       CYS  57  15.388  -6.293   9.898
  405   2HB   CYS  57          2HB       CYS  57  16.726  -5.568   9.029
  406    H    THR  58           H        THR  58  15.939  -3.426   7.344
  407    HA   THR  58           HA       THR  58  16.761  -4.149   4.655
  408    HB   THR  58           HB       THR  58  16.639  -1.582   6.306
  409    HG1  THR  58           HG1      THR  58  14.700  -2.539   5.285
  410   1HG2  THR  58          1HG2      THR  58  18.620  -1.521   4.702
  411   2HG2  THR  58          2HG2      THR  58  17.488  -1.895   3.381
  412   3HG2  THR  58          3HG2      THR  58  17.328  -0.370   4.285
  413    H    PHE  59           H        PHE  59  18.864  -4.216   3.871
  414    HA   PHE  59           HA       PHE  59  20.757  -5.385   5.378
  415   1HB   PHE  59          1HB       PHE  59  20.744  -4.994   2.875
  416   2HB   PHE  59          2HB       PHE  59  21.062  -3.291   3.141
  417    HD1  PHE  59           HD1      PHE  59  22.562  -6.530   4.270
  418    HD2  PHE  59           HD2      PHE  59  23.217  -2.646   2.691
  419    HE1  PHE  59           HE1      PHE  59  25.030  -6.979   4.190
  420    HE2  PHE  59           HE2      PHE  59  25.686  -3.095   2.611
  421    HZ   PHE  59           HZ       PHE  59  26.562  -5.257   3.361

  No H/Q in entry =         421
  Start of MODEL   60
    1    H    GLU   1           H        GLU   1  11.048 -15.570  17.514
    2    HA   GLU   1           HA       GLU   1  10.840 -15.509  14.781
    3   1HB   GLU   1          1HB       GLU   1   9.334 -17.777  16.085
    4   2HB   GLU   1          2HB       GLU   1   8.593 -16.946  14.732
    5   1HG   GLU   1          1HG       GLU   1  10.462 -17.470  13.269
    6   2HG   GLU   1          2HG       GLU   1  11.440 -18.031  14.610
    7    H    GLU   2           H        GLU   2   9.784 -13.598  14.477
    8    HA   GLU   2           HA       GLU   2   7.444 -13.103  16.094
    9   1HB   GLU   2          1HB       GLU   2   9.942 -11.904  16.701
   10   2HB   GLU   2          2HB       GLU   2   9.020 -10.653  15.891
   11   1HG   GLU   2          1HG       GLU   2   7.479 -12.226  17.904
   12   2HG   GLU   2          2HG       GLU   2   8.791 -11.274  18.570
   13    H    TYR   3           H        TYR   3   6.065 -13.187  14.310
   14    HA   TYR   3           HA       TYR   3   6.776 -11.930  11.846
   15   1HB   TYR   3          1HB       TYR   3   5.134 -13.961  12.654
   16   2HB   TYR   3          2HB       TYR   3   3.960 -12.664  12.750
   17    HD1  TYR   3           HD1      TYR   3   6.336 -14.336  10.405
   18    HD2  TYR   3           HD2      TYR   3   2.834 -11.912  10.817
   19    HE1  TYR   3           HE1      TYR   3   5.885 -14.549   7.912
   20    HE2  TYR   3           HE2      TYR   3   2.395 -12.134   8.323
   21    HH   TYR   3           HH       TYR   3   3.012 -13.927   6.541
   22    H    VAL   4           H        VAL   4   5.623 -10.151  10.820
   23    HA   VAL   4           HA       VAL   4   3.981  -8.509  12.541
   24    HB   VAL   4           HB       VAL   4   6.473  -7.999  12.934
   25   1HG1  VAL   4          1HG1      VAL   4   6.856  -8.004  10.355
   26   2HG1  VAL   4          2HG1      VAL   4   6.239  -6.336  10.433
   27   3HG1  VAL   4          3HG1      VAL   4   7.689  -6.792  11.358
   28   1HG2  VAL   4          1HG2      VAL   4   4.243  -6.527  13.246
   29   2HG2  VAL   4          2HG2      VAL   4   5.870  -5.918  13.635
   30   3HG2  VAL   4          3HG2      VAL   4   5.107  -5.493  12.084
   31    H    GLY   5           H        GLY   5   2.928  -6.743  11.294
   32   1HA   GLY   5          1HA       GLY   5   1.687  -7.481   9.046
   33   2HA   GLY   5          2HA       GLY   5   3.194  -6.860   8.404
   34    H    LEU   6           H        LEU   6   0.059  -6.062   9.632
   35    HA   LEU   6           HA       LEU   6  -0.061  -3.547   8.738
   36   1HB   LEU   6          1HB       LEU   6  -1.732  -3.168  10.623
   37   2HB   LEU   6          2HB       LEU   6  -2.034  -4.466   9.485
   38    HG   LEU   6           HG       LEU   6  -2.396  -4.832  12.045
   39   1HD1  LEU   6          1HD1      LEU   6  -1.998  -6.513   9.874
   40   2HD1  LEU   6          2HD1      LEU   6  -0.917  -7.168  11.128
   41   3HD1  LEU   6          3HD1      LEU   6  -2.653  -6.966  11.467
   42   1HD2  LEU   6          1HD2      LEU   6  -0.147  -4.043  12.704
   43   2HD2  LEU   6          2HD2      LEU   6  -0.492  -5.700  13.257
   44   3HD2  LEU   6          3HD2      LEU   6   0.568  -5.433  11.851
   45    H    SER   7           H        SER   7   0.355  -1.422   9.484
   46    HA   SER   7           HA       SER   7   1.181   0.137  10.823
   47   1HB   SER   7          1HB       SER   7   1.844  -0.230  13.015
   48   2HB   SER   7          2HB       SER   7   0.898  -1.680  12.741
   49    HG   SER   7           HG       SER   7   2.896  -2.812  12.221
   50    H    ALA   8           H        ALA   8   2.561   0.894   9.189
   51    HA   ALA   8           HA       ALA   8   4.368   0.991   7.864
   52   1HB   ALA   8          1HB       ALA   8   4.892   2.071  10.155
   53   2HB   ALA   8          2HB       ALA   8   5.909   0.640  10.450
   54   3HB   ALA   8          3HB       ALA   8   6.265   1.717   9.078
   55    H    ASN   9           H        ASN   9   7.067  -0.164   8.597
   56    HA   ASN   9           HA       ASN   9   8.250  -1.941   8.220
   57   1HB   ASN   9          1HB       ASN   9   6.009  -2.959   9.727
   58   2HB   ASN   9          2HB       ASN   9   6.360  -4.136   8.477
   59   2HD2  ASN   9          2HD2      ASN   9   7.071  -3.152  11.537
   60   1HD2  ASN   9          1HD2      ASN   9   8.619  -3.892  11.777
   61    H    GLN  10           H        GLN  10   5.004  -3.299   7.278
   62    HA   GLN  10           HA       GLN  10   5.982  -4.281   4.858
   63   1HB   GLN  10          1HB       GLN  10   3.456  -4.574   4.372
   64   2HB   GLN  10          2HB       GLN  10   4.113  -5.415   5.762
   65   1HG   GLN  10          1HG       GLN  10   3.246  -3.741   7.298
   66   2HG   GLN  10          2HG       GLN  10   2.835  -2.656   5.985
   67   2HE2  GLN  10          2HE2      GLN  10   1.628  -4.191   4.156
   68   1HE2  GLN  10          1HE2      GLN  10   0.168  -4.901   4.760
   69    H    CYS  11           H        CYS  11   4.257  -1.278   5.802
   70    HA   CYS  11           HA       CYS  11   4.500  -0.400   3.017
   71   1HB   CYS  11          1HB       CYS  11   2.727   1.068   4.894
   72   2HB   CYS  11          2HB       CYS  11   2.563   0.781   3.173
   73    H    ALA  12           H        ALA  12   6.799  -0.402   4.627
   74    HA   ALA  12           HA       ALA  12   7.006   2.403   5.482
   75   1HB   ALA  12          1HB       ALA  12   9.199   1.118   6.528
   76   2HB   ALA  12          2HB       ALA  12   7.666   1.376   7.396
   77   3HB   ALA  12          3HB       ALA  12   7.974  -0.172   6.575
   78    H    VAL  13           H        VAL  13   7.044   1.843   2.728
   79    HA   VAL  13           HA       VAL  13   9.787   1.499   1.928
   80    HB   VAL  13           HB       VAL  13   7.758   2.480   0.015
   81   1HG1  VAL  13          1HG1      VAL  13  10.075   0.637   0.104
   82   2HG1  VAL  13          2HG1      VAL  13   8.744   0.141  -0.969
   83   3HG1  VAL  13          3HG1      VAL  13   9.519   1.728  -1.189
   84   1HG2  VAL  13          1HG2      VAL  13   7.345   0.024   1.689
   85   2HG2  VAL  13          2HG2      VAL  13   6.157   1.191   1.060
   86   3HG2  VAL  13          3HG2      VAL  13   6.887  -0.012  -0.031
   87    HA   PRO  14           HA       PRO  14  10.779   5.707   1.944
   88   1HB   PRO  14          1HB       PRO  14  12.894   5.744   0.214
   89   2HB   PRO  14          2HB       PRO  14  13.034   5.246   1.888
   90   1HG   PRO  14          1HG       PRO  14  13.016   3.572  -0.548
   91   2HG   PRO  14          2HG       PRO  14  13.571   3.161   1.063
   92   1HD   PRO  14          1HD       PRO  14  11.107   2.350  -0.163
   93   2HD   PRO  14          2HD       PRO  14  11.610   2.037   1.486
   94    H    ALA  15           H        ALA  15   9.164   4.291  -0.461
   95    HA   ALA  15           HA       ALA  15   7.743   5.308  -1.888
   96   1HB   ALA  15          1HB       ALA  15   9.248   7.870  -2.104
   97   2HB   ALA  15          2HB       ALA  15   7.499   7.580  -1.941
   98   3HB   ALA  15          3HB       ALA  15   8.552   7.503  -0.507
   99    H    LYS  16           H        LYS  16  11.214   5.163  -2.031
  100    HA   LYS  16           HA       LYS  16  11.206   5.430  -4.932
  101   1HB   LYS  16          1HB       LYS  16  13.656   5.368  -4.705
  102   2HB   LYS  16          2HB       LYS  16  12.932   6.646  -3.750
  103   1HG   LYS  16          1HG       LYS  16  14.611   5.536  -2.378
  104   2HG   LYS  16          2HG       LYS  16  13.032   5.153  -1.721
  105   1HD   LYS  16          1HD       LYS  16  13.097   2.925  -2.472
  106   2HD   LYS  16          2HD       LYS  16  14.201   3.284  -3.785
  107   1HE   LYS  16          1HE       LYS  16  16.069   3.580  -2.203
  108   2HE   LYS  16          2HE       LYS  16  14.989   3.399  -0.835
  109   1HZ   LYS  16          1HZ       LYS  16  14.490   1.163  -1.657
  110   2HZ   LYS  16          2HZ       LYS  16  15.601   1.342  -2.840
  111   3HZ   LYS  16          3HZ       LYS  16  16.066   1.348  -1.275
  112    H    ASP  17           H        ASP  17  10.107   3.139  -3.009
  113    HA   ASP  17           HA       ASP  17  11.283   1.056  -4.660
  114   1HB   ASP  17          1HB       ASP  17  11.467   1.336  -1.780
  115   2HB   ASP  17          2HB       ASP  17  10.480  -0.068  -2.135
  116    H    ARG  18           H        ARG  18   8.688   2.812  -4.410
  117    HA   ARG  18           HA       ARG  18   6.697   0.982  -3.608
  118   1HB   ARG  18          1HB       ARG  18   6.303   3.463  -5.345
  119   2HB   ARG  18          2HB       ARG  18   5.124   2.713  -4.287
  120   1HG   ARG  18          1HG       ARG  18   7.728   3.995  -3.332
  121   2HG   ARG  18          2HG       ARG  18   6.167   4.790  -3.308
  122   1HD   ARG  18          1HD       ARG  18   5.372   2.683  -1.931
  123   2HD   ARG  18          2HD       ARG  18   7.082   2.397  -1.677
  124    HE   ARG  18           HE       ARG  18   7.050   4.115  -0.109
  125   1HH1  ARG  18          1HH1      ARG  18   4.498   4.715  -2.456
  126   2HH1  ARG  18          2HH1      ARG  18   3.924   6.141  -1.659
  127   1HH2  ARG  18          1HH2      ARG  18   6.293   5.997   0.944
  128   2HH2  ARG  18          2HH2      ARG  18   4.952   6.875   0.288
  129    H    VAL  19           H        VAL  19   5.911  -0.707  -4.828
  130    HA   VAL  19           HA       VAL  19   6.652  -0.856  -7.609
  131    HB   VAL  19           HB       VAL  19   5.076  -2.736  -5.839
  132   1HG1  VAL  19          1HG1      VAL  19   5.965  -2.847  -8.680
  133   2HG1  VAL  19          2HG1      VAL  19   6.149  -4.332  -7.717
  134   3HG1  VAL  19          3HG1      VAL  19   4.547  -3.577  -7.889
  135   1HG2  VAL  19          1HG2      VAL  19   7.950  -2.176  -6.083
  136   2HG2  VAL  19          2HG2      VAL  19   7.051  -3.038  -4.811
  137   3HG2  VAL  19          3HG2      VAL  19   7.537  -3.894  -6.294
  138    H    ASP  20           H        ASP  20   4.172   0.610  -5.830
  139    HA   ASP  20           HA       ASP  20   2.241   1.452  -6.339
  140   1HB   ASP  20          1HB       ASP  20   3.185   2.553  -8.228
  141   2HB   ASP  20          2HB       ASP  20   3.387   1.056  -9.117
  142    H    CYS  21           H        CYS  21   0.447   0.198  -5.798
  143    HA   CYS  21           HA       CYS  21   0.134  -2.394  -6.969
  144   1HB   CYS  21          1HB       CYS  21  -0.493  -1.330  -4.540
  145   2HB   CYS  21          2HB       CYS  21  -2.057  -1.285  -5.330
  146    H    GLY  22           H        GLY  22  -0.898   0.903  -7.538
  147   1HA   GLY  22          1HA       GLY  22  -2.227   0.224  -9.948
  148   2HA   GLY  22          2HA       GLY  22  -2.138   1.802  -9.189
  149    H    TYR  23           H        TYR  23  -3.796   2.509  -7.743
  150    HA   TYR  23           HA       TYR  23  -6.235   0.906  -7.962
  151   1HB   TYR  23          1HB       TYR  23  -4.671   1.908  -5.555
  152   2HB   TYR  23          2HB       TYR  23  -6.418   1.991  -5.441
  153    HD1  TYR  23           HD1      TYR  23  -7.724  -0.226  -5.956
  154    HD2  TYR  23           HD2      TYR  23  -3.562  -0.069  -4.978
  155    HE1  TYR  23           HE1      TYR  23  -7.788  -2.671  -5.262
  156    HE2  TYR  23           HE2      TYR  23  -3.640  -2.515  -4.287
  157    HH   TYR  23           HH       TYR  23  -5.676  -4.065  -3.385
  158    HA   PRO  24           HA       PRO  24  -7.928   4.794  -8.836
  159   1HB   PRO  24          1HB       PRO  24 -10.590   4.257  -8.525
  160   2HB   PRO  24          2HB       PRO  24  -9.691   3.845  -9.972
  161   1HG   PRO  24          1HG       PRO  24 -10.626   2.068  -7.803
  162   2HG   PRO  24          2HG       PRO  24 -10.117   1.646  -9.426
  163   1HD   PRO  24          1HD       PRO  24  -8.599   1.324  -7.014
  164   2HD   PRO  24          2HD       PRO  24  -8.049   1.011  -8.648
  165    H    HIS  25           H        HIS  25 -10.203   3.690  -6.396
  166    HA   HIS  25           HA       HIS  25  -9.829   6.220  -5.069
  167   1HB   HIS  25          1HB       HIS  25 -11.796   5.718  -3.879
  168   2HB   HIS  25          2HB       HIS  25 -12.074   5.158  -5.516
  169    HD1  HIS  25           HD1      HIS  25 -13.658   4.035  -3.054
  170    HD2  HIS  25           HD2      HIS  25 -10.273   2.235  -4.756
  171    HE1  HIS  25           HE1      HIS  25 -13.770   1.565  -2.425
  172    HE2  HIS  25           HE2      HIS  25 -11.693   0.501  -3.544
  173    H    VAL  26           H        VAL  26  -7.597   5.928  -4.381
  174    HA   VAL  26           HA       VAL  26  -7.140   3.786  -2.474
  175    HB   VAL  26           HB       VAL  26  -4.818   4.689  -2.514
  176   1HG1  VAL  26          1HG1      VAL  26  -6.080   3.931  -5.169
  177   2HG1  VAL  26          2HG1      VAL  26  -4.329   3.939  -4.846
  178   3HG1  VAL  26          3HG1      VAL  26  -5.395   2.832  -3.948
  179   1HG2  VAL  26          1HG2      VAL  26  -5.700   7.035  -3.244
  180   2HG2  VAL  26          2HG2      VAL  26  -4.142   6.450  -3.875
  181   3HG2  VAL  26          3HG2      VAL  26  -5.601   6.365  -4.890
  182    H    THR  27           H        THR  27  -6.802   4.087  -0.262
  183    HA   THR  27           HA       THR  27  -6.729   6.773   0.796
  184    HB   THR  27           HB       THR  27  -8.843   6.723   1.878
  185    HG1  THR  27           HG1      THR  27  -8.460   3.882   1.335
  186   1HG2  THR  27          1HG2      THR  27  -9.275   5.072  -0.668
  187   2HG2  THR  27          2HG2      THR  27 -10.553   5.913   0.241
  188   3HG2  THR  27          3HG2      THR  27  -9.283   6.849  -0.581
  189    HA   PRO  28           HA       PRO  28  -4.688   4.819   4.032
  190   1HB   PRO  28          1HB       PRO  28  -5.520   6.074   6.312
  191   2HB   PRO  28          2HB       PRO  28  -4.358   6.774   5.203
  192   1HG   PRO  28          1HG       PRO  28  -7.205   7.470   5.585
  193   2HG   PRO  28          2HG       PRO  28  -5.940   8.407   4.816
  194   1HD   PRO  28          1HD       PRO  28  -8.017   6.927   3.504
  195   2HD   PRO  28          2HD       PRO  28  -6.685   7.768   2.737
  196    H    LYS  29           H        LYS  29  -6.970   3.387   3.129
  197    HA   LYS  29           HA       LYS  29  -7.047   1.446   5.107
  198   1HB   LYS  29          1HB       LYS  29  -8.433   3.428   6.147
  199   2HB   LYS  29          2HB       LYS  29  -9.699   2.856   5.080
  200   1HG   LYS  29          1HG       LYS  29  -8.202   0.876   6.822
  201   2HG   LYS  29          2HG       LYS  29  -9.481   1.850   7.521
  202   1HD   LYS  29          1HD       LYS  29 -10.701   0.969   5.200
  203   2HD   LYS  29          2HD       LYS  29  -9.661  -0.392   5.567
  204   1HE   LYS  29          1HE       LYS  29 -11.227   0.778   7.855
  205   2HE   LYS  29          2HE       LYS  29 -12.131  -0.116   6.649
  206   1HZ   LYS  29          1HZ       LYS  29  -9.729  -1.177   7.962
  207   2HZ   LYS  29          2HZ       LYS  29 -11.247  -1.466   8.490
  208   3HZ   LYS  29          3HZ       LYS  29 -10.779  -1.998   7.019
  209    H    GLU  30           H        GLU  30  -9.165   3.096   2.662
  210    HA   GLU  30           HA       GLU  30 -10.262   0.736   1.718
  211   1HB   GLU  30          1HB       GLU  30 -11.066   3.141   1.347
  212   2HB   GLU  30          2HB       GLU  30  -9.838   3.284   0.105
  213   1HG   GLU  30          1HG       GLU  30 -11.132   2.175  -1.394
  214   2HG   GLU  30          2HG       GLU  30 -11.314   0.814  -0.306
  215    H    CYS  31           H        CYS  31  -7.224   2.449   0.980
  216    HA   CYS  31           HA       CYS  31  -6.708   0.917  -1.365
  217   1HB   CYS  31          1HB       CYS  31  -5.677   2.956  -1.479
  218   2HB   CYS  31          2HB       CYS  31  -5.265   2.983   0.224
  219    H    ASN  32           H        ASN  32  -5.890   0.850   2.134
  220    HA   ASN  32           HA       ASN  32  -4.140  -1.385   1.733
  221   1HB   ASN  32          1HB       ASN  32  -3.583  -1.134   4.053
  222   2HB   ASN  32          2HB       ASN  32  -3.836   0.507   3.490
  223   2HD2  ASN  32          2HD2      ASN  32  -4.161   0.947   5.760
  224   1HD2  ASN  32          1HD2      ASN  32  -5.720   0.728   6.481
  225    H    ASN  33           H        ASN  33  -7.390  -1.057   1.573
  226    HA   ASN  33           HA       ASN  33  -7.957  -3.353   3.265
  227   1HB   ASN  33          1HB       ASN  33  -9.424  -1.441   3.714
  228   2HB   ASN  33          2HB       ASN  33  -9.756  -1.222   2.007
  229   2HD2  ASN  33          2HD2      ASN  33 -11.297  -2.382   1.011
  230   1HD2  ASN  33          1HD2      ASN  33 -12.329  -3.544   1.776
  231    H    ARG  34           H        ARG  34  -8.172  -1.931  -0.035
  232    HA   ARG  34           HA       ARG  34  -9.679  -3.904  -1.207
  233   1HB   ARG  34          1HB       ARG  34  -8.612  -1.553  -2.058
  234   2HB   ARG  34          2HB       ARG  34  -7.453  -2.640  -2.798
  235   1HG   ARG  34          1HG       ARG  34 -10.482  -2.844  -3.145
  236   2HG   ARG  34          2HG       ARG  34  -9.399  -2.095  -4.301
  237   1HD   ARG  34          1HD       ARG  34  -8.122  -4.450  -4.143
  238   2HD   ARG  34          2HD       ARG  34  -9.684  -5.019  -3.588
  239    HE   ARG  34           HE       ARG  34 -10.097  -3.427  -5.927
  240   1HH1  ARG  34          1HH1      ARG  34  -8.696  -6.516  -4.991
  241   2HH1  ARG  34          2HH1      ARG  34  -8.985  -7.259  -6.529
  242   1HH2  ARG  34          1HH2      ARG  34 -10.479  -4.406  -7.956
  243   2HH2  ARG  34          2HH2      ARG  34 -10.006  -6.051  -8.227
  244    H    GLY  35           H        GLY  35  -6.290  -3.811  -0.209
  245   1HA   GLY  35          1HA       GLY  35  -5.816  -6.397  -1.568
  246   2HA   GLY  35          2HA       GLY  35  -5.414  -6.124   0.116
  247    H    CYS  36           H        CYS  36  -3.933  -4.149   0.569
  248    HA   CYS  36           HA       CYS  36  -1.532  -4.501  -0.618
  249   1HB   CYS  36          1HB       CYS  36  -3.194  -3.164  -2.458
  250   2HB   CYS  36          2HB       CYS  36  -2.115  -1.940  -1.819
  251    H    CYS  37           H        CYS  37  -0.663  -1.664  -0.653
  252    HA   CYS  37           HA       CYS  37  -1.324  -0.955   2.113
  253   1HB   CYS  37          1HB       CYS  37   1.320  -1.171   0.741
  254   2HB   CYS  37          2HB       CYS  37   1.105   0.100   1.928
  255    H    PHE  38           H        PHE  38  -1.213   1.421   2.538
  256    HA   PHE  38           HA       PHE  38  -1.579   2.953   0.059
  257   1HB   PHE  38          1HB       PHE  38  -3.696   2.643   1.310
  258   2HB   PHE  38          2HB       PHE  38  -2.910   3.032   2.827
  259    HD1  PHE  38           HD1      PHE  38  -4.159   4.435  -0.339
  260    HD2  PHE  38           HD2      PHE  38  -2.587   5.305   3.506
  261    HE1  PHE  38           HE1      PHE  38  -4.824   6.840  -0.611
  262    HE2  PHE  38           HE2      PHE  38  -3.251   7.710   3.233
  263    HZ   PHE  38           HZ       PHE  38  -4.362   8.449   1.178
  264    H    ASP  39           H        ASP  39  -1.406   5.467   0.647
  265    HA   ASP  39           HA       ASP  39   0.211   6.201   2.764
  266   1HB   ASP  39          1HB       ASP  39   2.079   5.095   1.766
  267   2HB   ASP  39          2HB       ASP  39   1.612   5.574   0.146
  268    H    SER  40           H        SER  40   0.443   8.553   2.755
  269    HA   SER  40           HA       SER  40  -0.519   9.849   0.339
  270   1HB   SER  40          1HB       SER  40  -1.952  11.350   1.667
  271   2HB   SER  40          2HB       SER  40  -2.433   9.681   1.896
  272    HG   SER  40           HG       SER  40  -2.227  10.099   3.984
  273    H    ARG  41           H        ARG  41   2.085   9.365   2.094
  274    HA   ARG  41           HA       ARG  41   2.831  11.737   3.215
  275   1HB   ARG  41          1HB       ARG  41   3.997   9.283   2.908
  276   2HB   ARG  41          2HB       ARG  41   4.938  10.184   1.736
  277   1HG   ARG  41          1HG       ARG  41   4.938  11.941   3.873
  278   2HG   ARG  41          2HG       ARG  41   4.904  10.401   4.708
  279   1HD   ARG  41          1HD       ARG  41   7.042   9.851   4.060
  280   2HD   ARG  41          2HD       ARG  41   6.822  10.476   2.438
  281    HE   ARG  41           HE       ARG  41   6.869  12.697   4.230
  282   1HH1  ARG  41          1HH1      ARG  41   9.034  10.212   2.997
  283   2HH1  ARG  41          2HH1      ARG  41  10.458  11.181   3.182
  284   1HH2  ARG  41          1HH2      ARG  41   8.747  13.976   4.474
  285   2HH2  ARG  41          2HH2      ARG  41  10.294  13.336   4.027
  286    H    ILE  42           H        ILE  42   3.402  10.498  -0.156
  287    HA   ILE  42           HA       ILE  42   3.474  13.252  -1.074
  288    HB   ILE  42           HB       ILE  42   5.542  12.195  -2.509
  289   1HG1  ILE  42          1HG1      ILE  42   7.137  11.262  -0.864
  290   2HG1  ILE  42          2HG1      ILE  42   5.871  11.231   0.348
  291   1HG2  ILE  42          1HG2      ILE  42   5.296  14.069  -0.200
  292   2HG2  ILE  42          2HG2      ILE  42   6.927  13.577  -0.716
  293   3HG2  ILE  42          3HG2      ILE  42   5.827  14.366  -1.873
  294   1HD1  ILE  42          1HD1      ILE  42   5.066   9.947  -2.195
  295   2HD1  ILE  42          2HD1      ILE  42   6.454   9.161  -1.404
  296   3HD1  ILE  42          3HD1      ILE  42   4.918   9.351  -0.525
  297    HA   PRO  43           HA       PRO  43   1.163  11.307  -4.174
  298   1HB   PRO  43          1HB       PRO  43   0.889  13.410  -5.898
  299   2HB   PRO  43          2HB       PRO  43  -0.123  13.192  -4.484
  300   1HG   PRO  43          1HG       PRO  43   2.098  15.099  -4.899
  301   2HG   PRO  43          2HG       PRO  43   0.823  15.143  -3.697
  302   1HD   PRO  43          1HD       PRO  43   3.550  14.359  -3.278
  303   2HD   PRO  43          2HD       PRO  43   2.248  14.293  -2.106
  304    H    GLY  44           H        GLY  44   4.066  13.043  -5.034
  305   1HA   GLY  44          1HA       GLY  44   5.771  12.321  -6.348
  306   2HA   GLY  44          2HA       GLY  44   4.529  12.388  -7.582
  307    H    VAL  45           H        VAL  45   4.824  10.125  -4.768
  308    HA   VAL  45           HA       VAL  45   5.465   7.970  -6.613
  309    HB   VAL  45           HB       VAL  45   6.297   6.847  -4.813
  310   1HG1  VAL  45          1HG1      VAL  45   7.184   9.340  -5.067
  311   2HG1  VAL  45          2HG1      VAL  45   6.532   9.484  -3.417
  312   3HG1  VAL  45          3HG1      VAL  45   7.776   8.263  -3.779
  313   1HG2  VAL  45          1HG2      VAL  45   4.327   8.350  -3.061
  314   2HG2  VAL  45          2HG2      VAL  45   4.287   6.629  -3.512
  315   3HG2  VAL  45          3HG2      VAL  45   5.571   7.238  -2.442
  316    HA   PRO  46           HA       PRO  46   1.527   6.191  -6.445
  317   1HB   PRO  46          1HB       PRO  46   1.957   3.507  -6.157
  318   2HB   PRO  46          2HB       PRO  46   2.151   4.351  -7.681
  319   1HG   PRO  46          1HG       PRO  46   4.234   3.348  -5.838
  320   2HG   PRO  46          2HG       PRO  46   4.386   3.799  -7.525
  321   1HD   PRO  46          1HD       PRO  46   5.225   5.339  -5.255
  322   2HD   PRO  46          2HD       PRO  46   5.269   5.838  -6.934
  323    H    TRP  47           H        TRP  47   0.638   7.263  -4.662
  324    HA   TRP  47           HA       TRP  47   0.956   6.889  -2.099
  325   1HB   TRP  47          1HB       TRP  47  -1.512   7.190  -3.733
  326   2HB   TRP  47          2HB       TRP  47  -1.714   6.800  -2.037
  327    HD1  TRP  47           HD1      TRP  47   1.219   9.082  -2.987
  328    HE1  TRP  47           HE1      TRP  47   0.847  11.548  -2.125
  329    HE3  TRP  47           HE3      TRP  47  -3.603   8.402  -1.526
  330    HZ2  TRP  47           HZ2      TRP  47  -1.374  12.907  -0.956
  331    HZ3  TRP  47           HZ3      TRP  47  -4.802  10.349  -0.534
  332    HH2  TRP  47           HH2      TRP  47  -3.764  12.542  -0.240
  333    H    CYS  48           H        CYS  48  -1.082   4.633  -4.106
  334    HA   CYS  48           HA       CYS  48  -0.988   2.712  -1.949
  335   1HB   CYS  48          1HB       CYS  48  -3.019   3.328  -3.481
  336   2HB   CYS  48          2HB       CYS  48  -2.277   2.213  -4.612
  337    H    PHE  49           H        PHE  49   0.664   1.231  -1.849
  338    HA   PHE  49           HA       PHE  49   1.744   0.244  -4.369
  339   1HB   PHE  49          1HB       PHE  49   4.058   0.501  -3.198
  340   2HB   PHE  49          2HB       PHE  49   3.317   1.993  -3.743
  341    HD1  PHE  49           HD1      PHE  49   3.591  -0.167  -0.719
  342    HD2  PHE  49           HD2      PHE  49   3.062   3.755  -2.252
  343    HE1  PHE  49           HE1      PHE  49   3.754   0.765   1.607
  344    HE2  PHE  49           HE2      PHE  49   3.225   4.686   0.073
  345    HZ   PHE  49           HZ       PHE  49   3.569   3.180   1.975
  346    H    LYS  50           H        LYS  50   3.243  -1.709  -3.937
  347    HA   LYS  50           HA       LYS  50   1.819  -3.493  -2.248
  348   1HB   LYS  50          1HB       LYS  50   4.393  -3.843  -3.815
  349   2HB   LYS  50          2HB       LYS  50   3.503  -5.135  -3.035
  350   1HG   LYS  50          1HG       LYS  50   1.466  -4.030  -4.462
  351   2HG   LYS  50          2HG       LYS  50   2.802  -3.556  -5.492
  352   1HD   LYS  50          1HD       LYS  50   3.315  -6.269  -4.816
  353   2HD   LYS  50          2HD       LYS  50   1.595  -6.197  -5.139
  354   1HE   LYS  50          1HE       LYS  50   2.648  -4.647  -7.208
  355   2HE   LYS  50          2HE       LYS  50   3.876  -5.882  -7.007
  356   1HZ   LYS  50          1HZ       LYS  50   1.875  -7.453  -6.990
  357   2HZ   LYS  50          2HZ       LYS  50   1.064  -6.220  -7.689
  358   3HZ   LYS  50          3HZ       LYS  50   2.383  -6.849  -8.420
  359    HA   PRO  51           HA       PRO  51   4.209  -3.275   1.338
  360   1HB   PRO  51          1HB       PRO  51   4.312  -5.856   2.230
  361   2HB   PRO  51          2HB       PRO  51   2.910  -4.826   2.437
  362   1HG   PRO  51          1HG       PRO  51   3.306  -7.060   0.541
  363   2HG   PRO  51          2HG       PRO  51   1.808  -6.310   1.056
  364   1HD   PRO  51          1HD       PRO  51   3.154  -5.912  -1.445
  365   2HD   PRO  51          2HD       PRO  51   1.721  -5.076  -0.882
  366    H    LEU  52           H        LEU  52   6.260  -2.723   1.691
  367    HA   LEU  52           HA       LEU  52   8.285  -3.218   0.083
  368   1HB   LEU  52          1HB       LEU  52   8.512  -1.783   1.960
  369   2HB   LEU  52          2HB       LEU  52   8.290  -3.101   3.094
  370    HG   LEU  52           HG       LEU  52  10.659  -2.858   1.222
  371   1HD1  LEU  52          1HD1      LEU  52  10.562  -0.984   2.833
  372   2HD1  LEU  52          2HD1      LEU  52  10.525  -2.162   4.168
  373   3HD1  LEU  52          3HD1      LEU  52  11.950  -2.065   3.105
  374   1HD2  LEU  52          1HD2      LEU  52   9.707  -4.954   3.004
  375   2HD2  LEU  52          2HD2      LEU  52  10.979  -4.994   1.760
  376   3HD2  LEU  52          3HD2      LEU  52  11.359  -4.426   3.404
  377    H    GLN  53           H        GLN  53   9.824  -4.802  -0.404
  378    HA   GLN  53           HA       GLN  53   8.931  -7.422  -0.120
  379   1HB   GLN  53          1HB       GLN  53  11.216  -6.010  -1.352
  380   2HB   GLN  53          2HB       GLN  53  11.631  -7.619  -0.797
  381   1HG   GLN  53          1HG       GLN  53  10.733  -8.347  -2.762
  382   2HG   GLN  53          2HG       GLN  53   9.177  -8.078  -2.002
  383   2HE2  GLN  53          2HE2      GLN  53   8.841  -5.452  -1.895
  384   1HE2  GLN  53          1HE2      GLN  53   8.839  -4.714  -3.462
  385    H    GLU  54           H        GLU  54   8.628  -7.406   2.303
  386    HA   GLU  54           HA       GLU  54  10.469  -7.051   4.170
  387   1HB   GLU  54          1HB       GLU  54   9.165  -8.409   5.577
  388   2HB   GLU  54          2HB       GLU  54   8.029  -7.967   4.318
  389   1HG   GLU  54          1HG       GLU  54   7.699 -10.286   4.444
  390   2HG   GLU  54          2HG       GLU  54   8.849 -10.172   3.126
  391    H    ALA  55           H        ALA  55  12.481  -7.820   4.674
  392    HA   ALA  55           HA       ALA  55  13.160 -10.551   4.246
  393   1HB   ALA  55          1HB       ALA  55  13.863 -10.338   2.110
  394   2HB   ALA  55          2HB       ALA  55  15.217  -9.392   2.773
  395   3HB   ALA  55          3HB       ALA  55  13.762  -8.562   2.169
  396    H    GLU  56           H        GLU  56  13.060  -9.449   6.627
  397    HA   GLU  56           HA       GLU  56  14.124  -8.585   8.349
  398   1HB   GLU  56          1HB       GLU  56  15.173 -10.977   7.688
  399   2HB   GLU  56          2HB       GLU  56  16.636 -10.024   7.532
  400   1HG   GLU  56          1HG       GLU  56  16.627  -9.384   9.816
  401   2HG   GLU  56          2HG       GLU  56  14.913  -9.698  10.003
  402    H    CYS  57           H        CYS  57  14.225  -6.337   7.740
  403    HA   CYS  57           HA       CYS  57  16.087  -5.223   6.074
  404   1HB   CYS  57          1HB       CYS  57  15.743  -3.150   7.579
  405   2HB   CYS  57          2HB       CYS  57  14.398  -3.791   6.656
  406    H    THR  58           H        THR  58  18.263  -4.619   6.296
  407    HA   THR  58           HA       THR  58  19.967  -5.933   7.900
  408    HB   THR  58           HB       THR  58  20.469  -4.362   5.956
  409    HG1  THR  58           HG1      THR  58  22.511  -3.823   7.006
  410   1HG2  THR  58          1HG2      THR  58  20.144  -2.308   8.203
  411   2HG2  THR  58          2HG2      THR  58  21.077  -1.992   6.720
  412   3HG2  THR  58          3HG2      THR  58  19.327  -2.304   6.621
  413    H    PHE  59           H        PHE  59  20.969  -5.742   9.903
  414    HA   PHE  59           HA       PHE  59  19.509  -5.175  12.049
  415   1HB   PHE  59          1HB       PHE  59  22.299  -5.513  11.314
  416   2HB   PHE  59          2HB       PHE  59  22.238  -4.200  12.473
  417    HD1  PHE  59           HD1      PHE  59  21.236  -4.614  14.737
  418    HD2  PHE  59           HD2      PHE  59  22.004  -7.764  11.999
  419    HE1  PHE  59           HE1      PHE  59  21.105  -6.276  16.613
  420    HE2  PHE  59           HE2      PHE  59  21.873  -9.426  13.875
  421    HZ   PHE  59           HZ       PHE  59  21.425  -8.663  16.159

  No H/Q in entry =         421
  Start of MODEL   61
    1    H    GLU   1           H        GLU   1  10.061 -16.284  19.595
    2    HA   GLU   1           HA       GLU   1   8.332 -15.187  18.815
    3   1HB   GLU   1          1HB       GLU   1   9.088 -13.466  20.903
    4   2HB   GLU   1          2HB       GLU   1   9.001 -12.407  19.509
    5   1HG   GLU   1          1HG       GLU   1   6.705 -13.087  19.036
    6   2HG   GLU   1          2HG       GLU   1   6.780 -14.373  20.224
    7    H    GLU   2           H        GLU   2   7.819 -13.419  17.073
    8    HA   GLU   2           HA       GLU   2  10.246 -12.709  15.651
    9   1HB   GLU   2          1HB       GLU   2   8.867 -14.919  14.874
   10   2HB   GLU   2          2HB       GLU   2   7.962 -13.708  13.988
   11   1HG   GLU   2          1HG       GLU   2   9.624 -13.508  12.458
   12   2HG   GLU   2          2HG       GLU   2  10.788 -13.126  13.710
   13    H    TYR   3           H        TYR   3   9.636 -11.170  13.709
   14    HA   TYR   3           HA       TYR   3   7.854  -9.174  14.832
   15   1HB   TYR   3          1HB       TYR   3  10.297  -8.992  13.758
   16   2HB   TYR   3          2HB       TYR   3   9.465  -9.135  12.223
   17    HD1  TYR   3           HD1      TYR   3   8.559  -7.244  15.335
   18    HD2  TYR   3           HD2      TYR   3   9.559  -7.057  11.180
   19    HE1  TYR   3           HE1      TYR   3   8.118  -4.740  15.335
   20    HE2  TYR   3           HE2      TYR   3   9.115  -4.553  11.193
   21    HH   TYR   3           HH       TYR   3   8.294  -2.885  14.208
   22    H    VAL   4           H        VAL   4   5.899  -8.545  13.972
   23    HA   VAL   4           HA       VAL   4   5.192  -9.516  11.329
   24    HB   VAL   4           HB       VAL   4   2.909 -10.150  12.545
   25   1HG1  VAL   4          1HG1      VAL   4   5.315 -11.668  11.745
   26   2HG1  VAL   4          2HG1      VAL   4   4.199 -12.541  12.823
   27   3HG1  VAL   4          3HG1      VAL   4   3.611 -11.882  11.278
   28   1HG2  VAL   4          1HG2      VAL   4   4.133  -9.570  14.787
   29   2HG2  VAL   4          2HG2      VAL   4   3.080 -11.002  14.695
   30   3HG2  VAL   4          3HG2      VAL   4   4.848 -11.189  14.597
   31    H    GLY   5           H        GLY   5   5.140  -7.392  10.565
   32   1HA   GLY   5          1HA       GLY   5   4.652  -5.072  11.010
   33   2HA   GLY   5          2HA       GLY   5   3.268  -5.577  11.959
   34    H    LEU   6           H        LEU   6   1.280  -5.767  10.971
   35    HA   LEU   6           HA       LEU   6   1.230  -6.150   8.086
   36   1HB   LEU   6          1HB       LEU   6  -1.335  -5.951   9.442
   37   2HB   LEU   6          2HB       LEU   6  -0.701  -7.200   8.389
   38    HG   LEU   6           HG       LEU   6  -0.276  -6.933  11.374
   39   1HD1  LEU   6          1HD1      LEU   6  -2.460  -7.872  10.361
   40   2HD1  LEU   6          2HD1      LEU   6  -1.471  -9.288   9.931
   41   3HD1  LEU   6          3HD1      LEU   6  -1.635  -8.801  11.635
   42   1HD2  LEU   6          1HD2      LEU   6   1.417  -8.201   9.405
   43   2HD2  LEU   6          2HD2      LEU   6   1.651  -8.013  11.159
   44   3HD2  LEU   6          3HD2      LEU   6   0.740  -9.405  10.527
   45    H    SER   7           H        SER   7   1.954  -3.591   9.796
   46    HA   SER   7           HA       SER   7   0.702  -1.841   7.950
   47   1HB   SER   7          1HB       SER   7  -0.212  -0.347   9.859
   48   2HB   SER   7          2HB       SER   7  -1.152  -1.757   9.413
   49    HG   SER   7           HG       SER   7   0.819  -1.954  11.495
   50    H    ALA   8           H        ALA   8   2.048  -0.056   7.607
   51    HA   ALA   8           HA       ALA   8   3.626   1.481   8.033
   52   1HB   ALA   8          1HB       ALA   8   4.218   1.990  10.173
   53   2HB   ALA   8          2HB       ALA   8   4.636   0.305  10.568
   54   3HB   ALA   8          3HB       ALA   8   2.935   0.830  10.594
   55    H    ASN   9           H        ASN   9   4.710  -1.673   9.496
   56    HA   ASN   9           HA       ASN   9   7.256  -1.523   8.501
   57   1HB   ASN   9          1HB       ASN   9   6.669  -3.155  10.223
   58   2HB   ASN   9          2HB       ASN   9   5.481  -3.917   9.184
   59   2HD2  ASN   9          2HD2      ASN   9   8.928  -3.179   9.504
   60   1HD2  ASN   9          1HD2      ASN   9   9.539  -4.568   8.668
   61    H    GLN  10           H        GLN  10   4.349  -3.343   7.257
   62    HA   GLN  10           HA       GLN  10   5.613  -4.266   4.965
   63   1HB   GLN  10          1HB       GLN  10   3.133  -4.500   4.164
   64   2HB   GLN  10          2HB       GLN  10   3.663  -5.433   5.550
   65   1HG   GLN  10          1HG       GLN  10   2.524  -4.058   7.093
   66   2HG   GLN  10          2HG       GLN  10   2.513  -2.675   6.016
   67   2HE2  GLN  10          2HE2      GLN  10   1.577  -6.088   5.611
   68   1HE2  GLN  10          1HE2      GLN  10  -0.055  -5.810   5.100
   69    H    CYS  11           H        CYS  11   4.109  -1.177   5.801
   70    HA   CYS  11           HA       CYS  11   4.428  -0.346   3.009
   71   1HB   CYS  11          1HB       CYS  11   2.826   1.332   4.850
   72   2HB   CYS  11          2HB       CYS  11   2.607   0.993   3.145
   73    H    ALA  12           H        ALA  12   6.742  -0.551   4.520
   74    HA   ALA  12           HA       ALA  12   7.211   2.184   5.482
   75   1HB   ALA  12          1HB       ALA  12   9.282   0.214   6.090
   76   2HB   ALA  12          2HB       ALA  12   7.685  -0.305   6.681
   77   3HB   ALA  12          3HB       ALA  12   8.355   1.263   7.190
   78    H    VAL  13           H        VAL  13   7.047   1.831   2.712
   79    HA   VAL  13           HA       VAL  13   9.732   1.374   1.743
   80    HB   VAL  13           HB       VAL  13   7.674   2.481  -0.052
   81   1HG1  VAL  13          1HG1      VAL  13   9.943   0.647  -0.111
   82   2HG1  VAL  13          2HG1      VAL  13   8.527  -0.009  -0.968
   83   3HG1  VAL  13          3HG1      VAL  13   9.189   1.577  -1.428
   84   1HG2  VAL  13          1HG2      VAL  13   7.178   0.009   1.586
   85   2HG2  VAL  13          2HG2      VAL  13   6.046   1.287   1.082
   86   3HG2  VAL  13          3HG2      VAL  13   6.612   0.082  -0.100
   87    HA   PRO  14           HA       PRO  14  10.849   5.549   1.845
   88   1HB   PRO  14          1HB       PRO  14  12.880   5.581   0.016
   89   2HB   PRO  14          2HB       PRO  14  13.085   5.026   1.666
   90   1HG   PRO  14          1HG       PRO  14  12.901   3.431  -0.816
   91   2HG   PRO  14          2HG       PRO  14  13.518   2.953   0.752
   92   1HD   PRO  14          1HD       PRO  14  10.976   2.254  -0.377
   93   2HD   PRO  14          2HD       PRO  14  11.547   1.874   1.236
   94    H    ALA  15           H        ALA  15   9.150   4.224  -0.589
   95    HA   ALA  15           HA       ALA  15   7.681   5.319  -1.914
   96   1HB   ALA  15          1HB       ALA  15   9.240   7.871  -2.012
   97   2HB   ALA  15          2HB       ALA  15   7.482   7.608  -1.920
   98   3HB   ALA  15          3HB       ALA  15   8.486   7.435  -0.460
   99    H    LYS  16           H        LYS  16  11.141   5.137  -2.171
  100    HA   LYS  16           HA       LYS  16  11.047   5.535  -5.057
  101   1HB   LYS  16          1HB       LYS  16  13.491   5.474  -4.922
  102   2HB   LYS  16          2HB       LYS  16  12.816   6.682  -3.847
  103   1HG   LYS  16          1HG       LYS  16  14.536   5.488  -2.618
  104   2HG   LYS  16          2HG       LYS  16  12.986   5.025  -1.943
  105   1HD   LYS  16          1HD       LYS  16  13.073   2.864  -2.840
  106   2HD   LYS  16          2HD       LYS  16  14.072   3.346  -4.197
  107   1HE   LYS  16          1HE       LYS  16  15.647   3.882  -1.890
  108   2HE   LYS  16          2HE       LYS  16  14.890   2.333  -1.577
  109   1HZ   LYS  16          1HZ       LYS  16  16.370   3.009  -4.025
  110   2HZ   LYS  16          2HZ       LYS  16  16.951   2.112  -2.789
  111   3HZ   LYS  16          3HZ       LYS  16  15.704   1.557  -3.686
  112    H    ASP  17           H        ASP  17  10.073   3.155  -3.111
  113    HA   ASP  17           HA       ASP  17  11.131   1.142  -4.927
  114   1HB   ASP  17          1HB       ASP  17  12.296   0.655  -2.911
  115   2HB   ASP  17          2HB       ASP  17  10.930   1.093  -1.904
  116    H    ARG  18           H        ARG  18   8.565   2.875  -4.544
  117    HA   ARG  18           HA       ARG  18   6.604   1.047  -3.663
  118   1HB   ARG  18          1HB       ARG  18   6.161   3.552  -5.355
  119   2HB   ARG  18          2HB       ARG  18   5.006   2.788  -4.282
  120   1HG   ARG  18          1HG       ARG  18   7.643   4.024  -3.360
  121   2HG   ARG  18          2HG       ARG  18   6.098   4.849  -3.303
  122   1HD   ARG  18          1HD       ARG  18   5.303   2.702  -1.954
  123   2HD   ARG  18          2HD       ARG  18   7.018   2.448  -1.695
  124    HE   ARG  18           HE       ARG  18   6.936   4.149  -0.111
  125   1HH1  ARG  18          1HH1      ARG  18   4.422   4.746  -2.501
  126   2HH1  ARG  18          2HH1      ARG  18   3.828   6.166  -1.707
  127   1HH2  ARG  18          1HH2      ARG  18   6.151   6.023   0.936
  128   2HH2  ARG  18          2HH2      ARG  18   4.818   6.897   0.260
  129    H    VAL  19           H        VAL  19   6.430  -0.832  -4.914
  130    HA   VAL  19           HA       VAL  19   6.833  -0.885  -7.686
  131    HB   VAL  19           HB       VAL  19   5.277  -2.798  -5.936
  132   1HG1  VAL  19          1HG1      VAL  19   4.978  -3.149  -8.363
  133   2HG1  VAL  19          2HG1      VAL  19   6.744  -3.262  -8.556
  134   3HG1  VAL  19          3HG1      VAL  19   5.874  -4.485  -7.599
  135   1HG2  VAL  19          1HG2      VAL  19   8.242  -2.459  -6.402
  136   2HG2  VAL  19          2HG2      VAL  19   7.358  -2.611  -4.865
  137   3HG2  VAL  19          3HG2      VAL  19   7.545  -4.026  -5.928
  138    H    ASP  20           H        ASP  20   4.244   0.332  -5.763
  139    HA   ASP  20           HA       ASP  20   2.262   1.083  -6.218
  140   1HB   ASP  20          1HB       ASP  20   3.169   2.490  -7.910
  141   2HB   ASP  20          2HB       ASP  20   3.511   1.144  -8.979
  142    H    CYS  21           H        CYS  21   0.539  -0.340  -5.920
  143    HA   CYS  21           HA       CYS  21   0.438  -2.745  -7.496
  144   1HB   CYS  21          1HB       CYS  21  -1.836  -2.726  -5.954
  145   2HB   CYS  21          2HB       CYS  21  -0.310  -3.486  -5.549
  146    H    GLY  22           H        GLY  22  -0.711   0.513  -7.613
  147   1HA   GLY  22          1HA       GLY  22  -2.199   0.043  -9.996
  148   2HA   GLY  22          2HA       GLY  22  -2.007   1.558  -9.137
  149    H    TYR  23           H        TYR  23  -3.660   2.330  -7.823
  150    HA   TYR  23           HA       TYR  23  -6.078   0.693  -7.801
  151   1HB   TYR  23          1HB       TYR  23  -4.420   1.836  -5.508
  152   2HB   TYR  23          2HB       TYR  23  -6.160   1.788  -5.309
  153    HD1  TYR  23           HD1      TYR  23  -7.334  -0.501  -5.601
  154    HD2  TYR  23           HD2      TYR  23  -3.112  -0.069  -5.057
  155    HE1  TYR  23           HE1      TYR  23  -7.174  -2.926  -4.853
  156    HE2  TYR  23           HE2      TYR  23  -2.967  -2.495  -4.312
  157    HH   TYR  23           HH       TYR  23  -4.672  -4.668  -4.914
  158    HA   PRO  24           HA       PRO  24  -7.823   4.553  -8.705
  159   1HB   PRO  24          1HB       PRO  24 -10.467   3.997  -8.291
  160   2HB   PRO  24          2HB       PRO  24  -9.616   3.568  -9.762
  161   1HG   PRO  24          1HG       PRO  24 -10.456   1.821  -7.530
  162   2HG   PRO  24          2HG       PRO  24 -10.001   1.374  -9.163
  163   1HD   PRO  24          1HD       PRO  24  -8.396   1.110  -6.800
  164   2HD   PRO  24          2HD       PRO  24  -7.901   0.772  -8.447
  165    H    HIS  25           H        HIS  25 -10.174   3.634  -6.300
  166    HA   HIS  25           HA       HIS  25  -9.697   6.131  -4.988
  167   1HB   HIS  25          1HB       HIS  25 -11.624   5.604  -3.681
  168   2HB   HIS  25          2HB       HIS  25 -11.962   5.181  -5.348
  169    HD1  HIS  25           HD1      HIS  25 -13.676   3.872  -3.224
  170    HD2  HIS  25           HD2      HIS  25 -10.074   2.201  -4.576
  171    HE1  HIS  25           HE1      HIS  25 -13.806   1.377  -2.705
  172    HE2  HIS  25           HE2      HIS  25 -11.588   0.396  -3.607
  173    H    VAL  26           H        VAL  26  -7.451   5.824  -4.338
  174    HA   VAL  26           HA       VAL  26  -6.980   3.723  -2.393
  175    HB   VAL  26           HB       VAL  26  -4.655   4.615  -2.482
  176   1HG1  VAL  26          1HG1      VAL  26  -6.015   3.755  -5.050
  177   2HG1  VAL  26          2HG1      VAL  26  -4.248   3.886  -4.878
  178   3HG1  VAL  26          3HG1      VAL  26  -5.159   2.741  -3.863
  179   1HG2  VAL  26          1HG2      VAL  26  -5.647   6.942  -3.321
  180   2HG2  VAL  26          2HG2      VAL  26  -4.006   6.407  -3.755
  181   3HG2  VAL  26          3HG2      VAL  26  -5.342   6.212  -4.915
  182    H    THR  27           H        THR  27  -6.697   4.046  -0.192
  183    HA   THR  27           HA       THR  27  -6.543   6.746   0.830
  184    HB   THR  27           HB       THR  27  -8.666   6.785   1.877
  185    HG1  THR  27           HG1      THR  27  -9.817   4.589   1.963
  186   1HG2  THR  27          1HG2      THR  27  -9.089   5.060  -0.620
  187   2HG2  THR  27          2HG2      THR  27 -10.390   5.882   0.274
  188   3HG2  THR  27          3HG2      THR  27  -9.140   6.838  -0.559
  189    HA   PRO  28           HA       PRO  28  -4.546   4.779   4.083
  190   1HB   PRO  28          1HB       PRO  28  -5.297   6.137   6.333
  191   2HB   PRO  28          2HB       PRO  28  -4.113   6.749   5.194
  192   1HG   PRO  28          1HG       PRO  28  -6.921   7.589   5.579
  193   2HG   PRO  28          2HG       PRO  28  -5.620   8.443   4.773
  194   1HD   PRO  28          1HD       PRO  28  -7.778   7.027   3.522
  195   2HD   PRO  28          2HD       PRO  28  -6.415   7.782   2.720
  196    H    LYS  29           H        LYS  29  -6.816   3.366   3.236
  197    HA   LYS  29           HA       LYS  29  -6.994   1.522   5.285
  198   1HB   LYS  29          1HB       LYS  29  -8.321   3.607   6.227
  199   2HB   LYS  29          2HB       LYS  29  -9.604   2.998   5.201
  200   1HG   LYS  29          1HG       LYS  29  -8.115   1.155   7.110
  201   2HG   LYS  29          2HG       LYS  29  -9.471   2.121   7.659
  202   1HD   LYS  29          1HD       LYS  29  -9.984   0.642   5.128
  203   2HD   LYS  29          2HD       LYS  29  -9.679  -0.392   6.510
  204   1HE   LYS  29          1HE       LYS  29 -11.442   1.739   7.359
  205   2HE   LYS  29          2HE       LYS  29 -12.083   1.062   5.875
  206   1HZ   LYS  29          1HZ       LYS  29 -11.312  -1.095   7.317
  207   2HZ   LYS  29          2HZ       LYS  29 -11.951  -0.102   8.446
  208   3HZ   LYS  29          3HZ       LYS  29 -12.843  -0.550   7.153
  209    H    GLU  30           H        GLU  30  -8.844   3.179   2.657
  210    HA   GLU  30           HA       GLU  30 -10.091   0.812   1.827
  211   1HB   GLU  30          1HB       GLU  30 -10.969   3.087   1.341
  212   2HB   GLU  30          2HB       GLU  30  -9.589   3.412   0.311
  213   1HG   GLU  30          1HG       GLU  30 -10.494   2.268  -1.440
  214   2HG   GLU  30          2HG       GLU  30 -10.891   0.887  -0.436
  215    H    CYS  31           H        CYS  31  -7.121   2.585   0.803
  216    HA   CYS  31           HA       CYS  31  -6.587   0.949  -1.405
  217   1HB   CYS  31          1HB       CYS  31  -5.435   2.902  -1.539
  218   2HB   CYS  31          2HB       CYS  31  -5.114   2.979   0.182
  219    H    ASN  32           H        ASN  32  -6.000   0.732   2.105
  220    HA   ASN  32           HA       ASN  32  -4.250  -1.519   1.728
  221   1HB   ASN  32          1HB       ASN  32  -3.617  -0.021   3.526
  222   2HB   ASN  32          2HB       ASN  32  -5.249   0.026   4.163
  223   2HD2  ASN  32          2HD2      ASN  32  -5.197  -0.860   6.088
  224   1HD2  ASN  32          1HD2      ASN  32  -4.513  -2.393   6.513
  225    H    ASN  33           H        ASN  33  -7.535  -0.977   1.606
  226    HA   ASN  33           HA       ASN  33  -8.267  -3.268   3.203
  227   1HB   ASN  33          1HB       ASN  33  -9.730  -1.324   3.429
  228   2HB   ASN  33          2HB       ASN  33  -9.874  -1.152   1.691
  229   2HD2  ASN  33          2HD2      ASN  33 -11.562  -1.955   4.258
  230   1HD2  ASN  33          1HD2      ASN  33 -12.621  -3.187   3.659
  231    H    ARG  34           H        ARG  34  -8.178  -1.997  -0.169
  232    HA   ARG  34           HA       ARG  34  -9.577  -4.069  -1.344
  233   1HB   ARG  34          1HB       ARG  34  -8.535  -1.700  -2.220
  234   2HB   ARG  34          2HB       ARG  34  -7.333  -2.789  -2.883
  235   1HG   ARG  34          1HG       ARG  34 -10.333  -2.794  -3.414
  236   2HG   ARG  34          2HG       ARG  34  -9.046  -2.515  -4.570
  237   1HD   ARG  34          1HD       ARG  34  -8.249  -4.877  -4.236
  238   2HD   ARG  34          2HD       ARG  34  -9.563  -5.151  -3.109
  239    HE   ARG  34           HE       ARG  34 -11.116  -5.145  -4.908
  240   1HH1  ARG  34          1HH1      ARG  34  -7.887  -4.299  -6.021
  241   2HH1  ARG  34          2HH1      ARG  34  -8.275  -4.494  -7.698
  242   1HH2  ARG  34          1HH2      ARG  34 -11.629  -5.404  -7.120
  243   2HH2  ARG  34          2HH2      ARG  34 -10.418  -5.127  -8.327
  244    H    GLY  35           H        GLY  35  -6.301  -3.825  -0.089
  245   1HA   GLY  35          1HA       GLY  35  -5.659  -6.459  -1.277
  246   2HA   GLY  35          2HA       GLY  35  -5.276  -6.002   0.370
  247    H    CYS  36           H        CYS  36  -3.831  -4.009   0.664
  248    HA   CYS  36           HA       CYS  36  -1.459  -4.369  -0.630
  249   1HB   CYS  36          1HB       CYS  36  -3.181  -3.140  -2.419
  250   2HB   CYS  36          2HB       CYS  36  -2.272  -1.797  -1.756
  251    H    CYS  37           H        CYS  37  -0.587  -1.552  -0.657
  252    HA   CYS  37           HA       CYS  37  -1.156  -0.850   2.131
  253   1HB   CYS  37          1HB       CYS  37   1.441  -1.156   0.707
  254   2HB   CYS  37          2HB       CYS  37   1.298   0.172   1.842
  255    H    PHE  38           H        PHE  38  -1.195   1.476   2.557
  256    HA   PHE  38           HA       PHE  38  -1.508   3.042   0.093
  257   1HB   PHE  38          1HB       PHE  38  -3.615   2.725   1.362
  258   2HB   PHE  38          2HB       PHE  38  -2.815   3.109   2.873
  259    HD1  PHE  38           HD1      PHE  38  -4.105   4.520  -0.270
  260    HD2  PHE  38           HD2      PHE  38  -2.472   5.381   3.551
  261    HE1  PHE  38           HE1      PHE  38  -4.771   6.926  -0.528
  262    HE2  PHE  38           HE2      PHE  38  -3.138   7.788   3.293
  263    HZ   PHE  38           HZ       PHE  38  -4.279   8.531   1.256
  264    H    ASP  39           H        ASP  39  -1.310   5.546   0.674
  265    HA   ASP  39           HA       ASP  39   0.317   6.270   2.791
  266   1HB   ASP  39          1HB       ASP  39   2.150   5.115   1.733
  267   2HB   ASP  39          2HB       ASP  39   1.709   5.709   0.145
  268    H    SER  40           H        SER  40   0.479   8.610   2.822
  269    HA   SER  40           HA       SER  40  -0.453   9.923   0.400
  270   1HB   SER  40          1HB       SER  40  -1.882  11.423   1.751
  271   2HB   SER  40          2HB       SER  40  -2.378   9.751   1.930
  272    HG   SER  40           HG       SER  40  -0.805  11.314   3.792
  273    H    ARG  41           H        ARG  41   2.143   9.435   2.172
  274    HA   ARG  41           HA       ARG  41   2.876  11.807   3.303
  275   1HB   ARG  41          1HB       ARG  41   4.047   9.366   3.038
  276   2HB   ARG  41          2HB       ARG  41   4.977  10.229   1.830
  277   1HG   ARG  41          1HG       ARG  41   4.712  11.831   4.272
  278   2HG   ARG  41          2HG       ARG  41   5.387  10.254   4.636
  279   1HD   ARG  41          1HD       ARG  41   7.267  10.581   3.218
  280   2HD   ARG  41          2HD       ARG  41   6.470  11.829   2.280
  281    HE   ARG  41           HE       ARG  41   7.891  12.190   4.809
  282   1HH1  ARG  41          1HH1      ARG  41   5.403  13.523   2.708
  283   2HH1  ARG  41          2HH1      ARG  41   5.559  15.132   3.331
  284   1HH2  ARG  41          1HH2      ARG  41   8.096  14.312   5.632
  285   2HH2  ARG  41          2HH2      ARG  41   7.101  15.584   5.006
  286    H    ILE  42           H        ILE  42   3.435  10.579  -0.071
  287    HA   ILE  42           HA       ILE  42   3.548  13.338  -0.972
  288    HB   ILE  42           HB       ILE  42   5.584  12.254  -2.430
  289   1HG1  ILE  42          1HG1      ILE  42   7.173  11.279  -0.799
  290   2HG1  ILE  42          2HG1      ILE  42   5.910  11.254   0.415
  291   1HG2  ILE  42          1HG2      ILE  42   5.262  14.223  -0.281
  292   2HG2  ILE  42          2HG2      ILE  42   6.911  13.565  -0.412
  293   3HG2  ILE  42          3HG2      ILE  42   6.144  14.330  -1.824
  294   1HD1  ILE  42          1HD1      ILE  42   5.081  10.013  -2.142
  295   2HD1  ILE  42          2HD1      ILE  42   6.454   9.195  -1.359
  296   3HD1  ILE  42          3HD1      ILE  42   4.922   9.402  -0.478
  297    HA   PRO  43           HA       PRO  43   1.172  11.454  -4.062
  298   1HB   PRO  43          1HB       PRO  43   0.905  13.580  -5.759
  299   2HB   PRO  43          2HB       PRO  43  -0.093  13.358  -4.336
  300   1HG   PRO  43          1HG       PRO  43   2.146  15.243  -4.754
  301   2HG   PRO  43          2HG       PRO  43   0.885  15.288  -3.538
  302   1HD   PRO  43          1HD       PRO  43   3.606  14.466  -3.158
  303   2HD   PRO  43          2HD       PRO  43   2.317  14.402  -1.973
  304    H    GLY  44           H        GLY  44   4.090  13.160  -4.930
  305   1HA   GLY  44          1HA       GLY  44   5.772  12.428  -6.270
  306   2HA   GLY  44          2HA       GLY  44   4.519  12.534  -7.490
  307    H    VAL  45           H        VAL  45   4.930  10.230  -4.714
  308    HA   VAL  45           HA       VAL  45   5.482   8.094  -6.594
  309    HB   VAL  45           HB       VAL  45   6.324   6.945  -4.822
  310   1HG1  VAL  45          1HG1      VAL  45   7.211   9.439  -5.012
  311   2HG1  VAL  45          2HG1      VAL  45   6.541   9.554  -3.367
  312   3HG1  VAL  45          3HG1      VAL  45   7.790   8.341  -3.736
  313   1HG2  VAL  45          1HG2      VAL  45   4.361   8.402  -3.023
  314   2HG2  VAL  45          2HG2      VAL  45   4.296   6.700  -3.539
  315   3HG2  VAL  45          3HG2      VAL  45   5.591   7.251  -2.449
  316    HA   PRO  46           HA       PRO  46   1.527   6.351  -6.436
  317   1HB   PRO  46          1HB       PRO  46   1.931   3.659  -6.185
  318   2HB   PRO  46          2HB       PRO  46   2.130   4.521  -7.698
  319   1HG   PRO  46          1HG       PRO  46   4.207   3.474  -5.875
  320   2HG   PRO  46          2HG       PRO  46   4.358   3.945  -7.556
  321   1HD   PRO  46          1HD       PRO  46   5.219   5.446  -5.269
  322   2HD   PRO  46          2HD       PRO  46   5.264   5.967  -6.941
  323    H    TRP  47           H        TRP  47   0.684   7.425  -4.623
  324    HA   TRP  47           HA       TRP  47   0.989   7.025  -2.075
  325   1HB   TRP  47          1HB       TRP  47  -1.484   7.329  -3.699
  326   2HB   TRP  47          2HB       TRP  47  -1.682   6.919  -2.007
  327    HD1  TRP  47           HD1      TRP  47   1.226   9.236  -2.974
  328    HE1  TRP  47           HE1      TRP  47   0.848  11.687  -2.072
  329    HE3  TRP  47           HE3      TRP  47  -3.559   8.491  -1.425
  330    HZ2  TRP  47           HZ2      TRP  47  -1.360  13.009  -0.839
  331    HZ3  TRP  47           HZ3      TRP  47  -4.755  10.414  -0.383
  332    HH2  TRP  47           HH2      TRP  47  -3.732  12.613  -0.080
  333    H    CYS  48           H        CYS  48  -1.062   4.775  -4.075
  334    HA   CYS  48           HA       CYS  48  -0.947   2.842  -1.933
  335   1HB   CYS  48          1HB       CYS  48  -3.003   3.433  -3.388
  336   2HB   CYS  48          2HB       CYS  48  -2.255   2.423  -4.610
  337    H    PHE  49           H        PHE  49   0.484   1.119  -1.917
  338    HA   PHE  49           HA       PHE  49   1.627   0.229  -4.416
  339   1HB   PHE  49          1HB       PHE  49   3.956   0.461  -3.261
  340   2HB   PHE  49          2HB       PHE  49   3.231   1.956  -3.817
  341    HD1  PHE  49           HD1      PHE  49   3.522  -0.175  -0.775
  342    HD2  PHE  49           HD2      PHE  49   2.982   3.733  -2.340
  343    HE1  PHE  49           HE1      PHE  49   3.712   0.778   1.539
  344    HE2  PHE  49           HE2      PHE  49   3.172   4.686  -0.025
  345    HZ   PHE  49           HZ       PHE  49   3.534   3.197   1.887
  346    H    LYS  50           H        LYS  50   3.019  -1.772  -4.059
  347    HA   LYS  50           HA       LYS  50   1.622  -3.547  -2.381
  348   1HB   LYS  50          1HB       LYS  50   4.321  -4.035  -3.654
  349   2HB   LYS  50          2HB       LYS  50   3.096  -5.214  -3.230
  350   1HG   LYS  50          1HG       LYS  50   1.533  -3.968  -4.882
  351   2HG   LYS  50          2HG       LYS  50   2.960  -3.113  -5.433
  352   1HD   LYS  50          1HD       LYS  50   2.891  -4.929  -6.922
  353   2HD   LYS  50          2HD       LYS  50   4.016  -5.508  -5.711
  354   1HE   LYS  50          1HE       LYS  50   2.475  -7.019  -4.788
  355   2HE   LYS  50          2HE       LYS  50   1.085  -6.071  -5.277
  356   1HZ   LYS  50          1HZ       LYS  50   2.829  -7.444  -7.197
  357   2HZ   LYS  50          2HZ       LYS  50   1.476  -8.117  -6.578
  358   3HZ   LYS  50          3HZ       LYS  50   1.373  -6.768  -7.493
  359    HA   PRO  51           HA       PRO  51   3.889  -3.352   1.286
  360   1HB   PRO  51          1HB       PRO  51   4.009  -5.943   2.145
  361   2HB   PRO  51          2HB       PRO  51   2.581  -4.941   2.318
  362   1HG   PRO  51          1HG       PRO  51   3.082  -7.140   0.406
  363   2HG   PRO  51          2HG       PRO  51   1.554  -6.424   0.881
  364   1HD   PRO  51          1HD       PRO  51   2.977  -5.967  -1.568
  365   2HD   PRO  51          2HD       PRO  51   1.510  -5.165  -1.042
  366    H    LEU  52           H        LEU  52   5.915  -2.746   1.678
  367    HA   LEU  52           HA       LEU  52   7.997  -3.227   0.128
  368   1HB   LEU  52          1HB       LEU  52   8.122  -1.741   1.982
  369   2HB   LEU  52          2HB       LEU  52   7.923  -3.046   3.136
  370    HG   LEU  52           HG       LEU  52  10.323  -2.699   1.316
  371   1HD1  LEU  52          1HD1      LEU  52   9.963  -0.923   3.111
  372   2HD1  LEU  52          2HD1      LEU  52  10.258  -2.218   4.296
  373   3HD1  LEU  52          3HD1      LEU  52  11.522  -1.783   3.119
  374   1HD2  LEU  52          1HD2      LEU  52   9.436  -4.857   3.106
  375   2HD2  LEU  52          2HD2      LEU  52  10.609  -4.874   1.767
  376   3HD2  LEU  52          3HD2      LEU  52  11.109  -4.314   3.380
  377    H    GLN  53           H        GLN  53   9.179  -4.911  -0.618
  378    HA   GLN  53           HA       GLN  53   8.462  -7.500   0.177
  379   1HB   GLN  53          1HB       GLN  53  10.678  -7.970  -1.269
  380   2HB   GLN  53          2HB       GLN  53   9.160  -7.516  -2.018
  381   1HG   GLN  53          1HG       GLN  53  11.227  -6.193  -2.778
  382   2HG   GLN  53          2HG       GLN  53   9.840  -5.236  -2.298
  383   2HE2  GLN  53          2HE2      GLN  53  10.329  -3.551  -1.140
  384   1HE2  GLN  53          1HE2      GLN  53  11.597  -3.403   0.031
  385    H    GLU  54           H        GLU  54   8.989  -6.684   2.594
  386    HA   GLU  54           HA       GLU  54  11.379  -6.322   3.625
  387   1HB   GLU  54          1HB       GLU  54  10.534  -7.125   5.667
  388   2HB   GLU  54          2HB       GLU  54   9.075  -6.754   4.770
  389   1HG   GLU  54          1HG       GLU  54  10.353  -9.512   5.074
  390   2HG   GLU  54          2HG       GLU  54   8.871  -8.969   5.835
  391    H    ALA  55           H        ALA  55  13.364  -7.271   3.483
  392    HA   ALA  55           HA       ALA  55  13.511 -10.167   3.427
  393   1HB   ALA  55          1HB       ALA  55  13.560 -10.042   1.132
  394   2HB   ALA  55          2HB       ALA  55  15.277  -9.696   1.454
  395   3HB   ALA  55          3HB       ALA  55  14.146  -8.361   1.126
  396    H    GLU  56           H        GLU  56  14.497 -10.088   5.472
  397    HA   GLU  56           HA       GLU  56  16.680  -8.291   5.857
  398   1HB   GLU  56          1HB       GLU  56  14.849  -9.557   7.532
  399   2HB   GLU  56          2HB       GLU  56  16.325 -10.447   7.849
  400   1HG   GLU  56          1HG       GLU  56  16.880  -8.744   9.254
  401   2HG   GLU  56          2HG       GLU  56  17.240  -7.819   7.810
  402    H    CYS  57           H        CYS  57  16.303 -11.911   6.044
  403    HA   CYS  57           HA       CYS  57  18.869 -12.629   6.274
  404   1HB   CYS  57          1HB       CYS  57  16.538 -13.858   4.876
  405   2HB   CYS  57          2HB       CYS  57  18.118 -14.572   4.615
  406    H    THR  58           H        THR  58  20.732 -12.380   5.065
  407    HA   THR  58           HA       THR  58  20.377 -11.562   2.255
  408    HB   THR  58           HB       THR  58  21.179  -9.767   3.881
  409    HG1  THR  58           HG1      THR  58  21.788 -10.031   1.528
  410   1HG2  THR  58          1HG2      THR  58  23.355 -11.848   4.235
  411   2HG2  THR  58          2HG2      THR  58  23.801 -10.125   4.240
  412   3HG2  THR  58          3HG2      THR  58  22.650 -10.750   5.446
  413    H    PHE  59           H        PHE  59  22.357 -12.041   0.877
  414    HA   PHE  59           HA       PHE  59  23.531 -13.634  -0.109
  415   1HB   PHE  59          1HB       PHE  59  24.634 -12.980   2.408
  416   2HB   PHE  59          2HB       PHE  59  24.592 -14.731   2.463
  417    HD1  PHE  59           HD1      PHE  59  25.494 -15.864   0.187
  418    HD2  PHE  59           HD2      PHE  59  26.560 -12.010   1.610
  419    HE1  PHE  59           HE1      PHE  59  27.614 -15.956  -1.153
  420    HE2  PHE  59           HE2      PHE  59  28.680 -12.103   0.269
  421    HZ   PHE  59           HZ       PHE  59  29.182 -14.074  -1.096

  No H/Q in entry =         421
  Start of MODEL   62
    1    H    GLU   1           H        GLU   1  11.695 -10.415  14.992
    2    HA   GLU   1           HA       GLU   1  12.383 -12.382  16.109
    3   1HB   GLU   1          1HB       GLU   1  13.253 -10.433  18.064
    4   2HB   GLU   1          2HB       GLU   1  12.200 -11.587  18.856
    5   1HG   GLU   1          1HG       GLU   1  13.626 -13.389  18.460
    6   2HG   GLU   1          2HG       GLU   1  14.255 -12.710  16.972
    7    H    GLU   2           H        GLU   2   9.970 -11.190  15.145
    8    HA   GLU   2           HA       GLU   2   8.116 -12.737  16.476
    9   1HB   GLU   2          1HB       GLU   2   6.665 -10.626  17.218
   10   2HB   GLU   2          2HB       GLU   2   7.834 -11.348  18.305
   11   1HG   GLU   2          1HG       GLU   2   9.416  -9.623  17.979
   12   2HG   GLU   2          2HG       GLU   2   8.754  -9.166  16.422
   13    H    TYR   3           H        TYR   3   6.745 -13.279  14.836
   14    HA   TYR   3           HA       TYR   3   6.691 -11.667  12.472
   15   1HB   TYR   3          1HB       TYR   3   6.605 -14.071  12.220
   16   2HB   TYR   3          2HB       TYR   3   5.513 -14.257  13.578
   17    HD1  TYR   3           HD1      TYR   3   5.738 -13.300  10.011
   18    HD2  TYR   3           HD2      TYR   3   3.123 -14.134  13.293
   19    HE1  TYR   3           HE1      TYR   3   3.762 -13.419   8.416
   20    HE2  TYR   3           HE2      TYR   3   1.156 -14.249  11.687
   21    HH   TYR   3           HH       TYR   3   1.643 -13.742   8.200
   22    H    VAL   4           H        VAL   4   5.441  -9.879  12.263
   23    HA   VAL   4           HA       VAL   4   2.687  -9.965  12.536
   24    HB   VAL   4           HB       VAL   4   2.872 -10.100  14.872
   25   1HG1  VAL   4          1HG1      VAL   4   5.168  -8.214  14.523
   26   2HG1  VAL   4          2HG1      VAL   4   4.250  -8.152  16.047
   27   3HG1  VAL   4          3HG1      VAL   4   5.025  -9.671  15.537
   28   1HG2  VAL   4          1HG2      VAL   4   1.830  -7.756  13.630
   29   2HG2  VAL   4          2HG2      VAL   4   1.298  -8.545  15.135
   30   3HG2  VAL   4          3HG2      VAL   4   2.543  -7.273  15.188
   31    H    GLY   5           H        GLY   5   2.646  -8.879  10.586
   32   1HA   GLY   5          1HA       GLY   5   4.171  -7.056   9.467
   33   2HA   GLY   5          2HA       GLY   5   3.424  -6.060  10.701
   34    H    LEU   6           H        LEU   6   1.421  -5.173  10.309
   35    HA   LEU   6           HA       LEU   6  -0.032  -6.271   8.002
   36   1HB   LEU   6          1HB       LEU   6  -1.644  -4.758   9.891
   37   2HB   LEU   6          2HB       LEU   6  -1.938  -6.313   9.138
   38    HG   LEU   6           HG       LEU   6  -0.089  -5.960  11.507
   39   1HD1  LEU   6          1HD1      LEU   6  -2.969  -5.788  11.433
   40   2HD1  LEU   6          2HD1      LEU   6  -2.453  -7.216  12.362
   41   3HD1  LEU   6          3HD1      LEU   6  -1.852  -5.601  12.806
   42   1HD2  LEU   6          1HD2      LEU   6  -1.153  -8.291   9.968
   43   2HD2  LEU   6          2HD2      LEU   6   0.465  -8.007  10.653
   44   3HD2  LEU   6          3HD2      LEU   6  -0.883  -8.471  11.718
   45    H    SER   7           H        SER   7   0.281  -3.266  10.030
   46    HA   SER   7           HA       SER   7   0.246  -1.816   7.498
   47   1HB   SER   7          1HB       SER   7  -0.655   0.122   8.884
   48   2HB   SER   7          2HB       SER   7  -1.751  -1.231   8.687
   49    HG   SER   7           HG       SER   7  -0.060  -1.398  10.941
   50    H    ALA   8           H        ALA   8   1.624   0.147   7.409
   51    HA   ALA   8           HA       ALA   8   3.417   1.377   7.877
   52   1HB   ALA   8          1HB       ALA   8   3.601   1.918  10.049
   53   2HB   ALA   8          2HB       ALA   8   4.311   0.327  10.414
   54   3HB   ALA   8          3HB       ALA   8   2.545   0.544  10.455
   55    H    ASN   9           H        ASN   9   4.250  -1.657   9.686
   56    HA   ASN   9           HA       ASN   9   6.756  -1.880   8.727
   57   1HB   ASN   9          1HB       ASN   9   4.713  -3.989   9.550
   58   2HB   ASN   9          2HB       ASN   9   6.337  -4.457   9.086
   59   2HD2  ASN   9          2HD2      ASN   9   6.395  -5.271  11.286
   60   1HD2  ASN   9          1HD2      ASN   9   6.857  -4.224  12.586
   61    H    GLN  10           H        GLN  10   3.640  -3.052   7.324
   62    HA   GLN  10           HA       GLN  10   4.908  -4.416   5.196
   63   1HB   GLN  10          1HB       GLN  10   2.459  -4.612   6.318
   64   2HB   GLN  10          2HB       GLN  10   2.041  -3.541   4.995
   65   1HG   GLN  10          1HG       GLN  10   1.836  -5.468   3.779
   66   2HG   GLN  10          2HG       GLN  10   3.582  -5.387   3.660
   67   2HE2  GLN  10          2HE2      GLN  10   0.857  -6.786   5.352
   68   1HE2  GLN  10          1HE2      GLN  10   1.673  -8.142   6.056
   69    H    CYS  11           H        CYS  11   3.702  -1.132   5.795
   70    HA   CYS  11           HA       CYS  11   4.316  -0.486   3.004
   71   1HB   CYS  11          1HB       CYS  11   2.789   1.484   4.572
   72   2HB   CYS  11          2HB       CYS  11   2.601   0.965   2.909
   73    H    ALA  12           H        ALA  12   6.455  -0.848   4.758
   74    HA   ALA  12           HA       ALA  12   7.100   1.803   5.795
   75   1HB   ALA  12          1HB       ALA  12   8.641   0.724   7.175
   76   2HB   ALA  12          2HB       ALA  12   8.842  -0.645   6.055
   77   3HB   ALA  12          3HB       ALA  12   7.362  -0.506   7.033
   78    H    VAL  13           H        VAL  13   6.879   1.803   3.032
   79    HA   VAL  13           HA       VAL  13   9.623   1.492   2.068
   80    HB   VAL  13           HB       VAL  13   7.711   2.305   0.077
   81   1HG1  VAL  13          1HG1      VAL  13   9.967   0.748   0.235
   82   2HG1  VAL  13          2HG1      VAL  13   8.688  -0.475   0.039
   83   3HG1  VAL  13          3HG1      VAL  13   8.869   0.825  -1.163
   84   1HG2  VAL  13          1HG2      VAL  13   6.910  -0.035   1.828
   85   2HG2  VAL  13          2HG2      VAL  13   5.943   1.392   1.384
   86   3HG2  VAL  13          3HG2      VAL  13   6.342   0.169   0.154
   87    HA   PRO  14           HA       PRO  14  10.167   5.779   2.088
   88   1HB   PRO  14          1HB       PRO  14  12.140   6.075   0.219
   89   2HB   PRO  14          2HB       PRO  14  12.449   5.563   1.867
   90   1HG   PRO  14          1HG       PRO  14  12.437   3.943  -0.606
   91   2HG   PRO  14          2HG       PRO  14  13.143   3.563   0.952
   92   1HD   PRO  14          1HD       PRO  14  10.698   2.518  -0.125
   93   2HD   PRO  14          2HD       PRO  14  11.346   2.229   1.477
   94    H    ALA  15           H        ALA  15  10.291   4.674  -1.273
   95    HA   ALA  15           HA       ALA  15   7.971   5.619  -2.172
   96   1HB   ALA  15          1HB       ALA  15   9.721   7.872  -1.410
   97   2HB   ALA  15          2HB       ALA  15   7.966   7.836  -1.704
   98   3HB   ALA  15          3HB       ALA  15   9.095   7.976  -3.073
   99    H    LYS  16           H        LYS  16  11.451   5.264  -2.522
  100    HA   LYS  16           HA       LYS  16  11.227   5.162  -5.420
  101   1HB   LYS  16          1HB       LYS  16  13.651   5.067  -5.404
  102   2HB   LYS  16          2HB       LYS  16  13.092   6.406  -4.422
  103   1HG   LYS  16          1HG       LYS  16  14.542   5.536  -2.868
  104   2HG   LYS  16          2HG       LYS  16  13.198   4.474  -2.498
  105   1HD   LYS  16          1HD       LYS  16  14.299   3.069  -4.560
  106   2HD   LYS  16          2HD       LYS  16  15.740   3.881  -3.980
  107   1HE   LYS  16          1HE       LYS  16  15.263   3.033  -1.659
  108   2HE   LYS  16          2HE       LYS  16  13.853   2.190  -2.269
  109   1HZ   LYS  16          1HZ       LYS  16  15.535   1.174  -3.890
  110   2HZ   LYS  16          2HZ       LYS  16  16.662   1.644  -2.806
  111   3HZ   LYS  16          3HZ       LYS  16  15.479   0.610  -2.358
  112    H    ASP  17           H        ASP  17  10.290   3.169  -3.047
  113    HA   ASP  17           HA       ASP  17  11.293   0.835  -4.481
  114   1HB   ASP  17          1HB       ASP  17  12.237   0.791  -2.254
  115   2HB   ASP  17          2HB       ASP  17  10.713   1.251  -1.521
  116    H    ARG  18           H        ARG  18   8.750   2.793  -4.378
  117    HA   ARG  18           HA       ARG  18   6.678   1.063  -3.550
  118   1HB   ARG  18          1HB       ARG  18   6.371   3.494  -5.367
  119   2HB   ARG  18          2HB       ARG  18   5.186   2.837  -4.255
  120   1HG   ARG  18          1HG       ARG  18   7.838   4.130  -3.459
  121   2HG   ARG  18          2HG       ARG  18   6.262   4.887  -3.337
  122   1HD   ARG  18          1HD       ARG  18   5.574   2.894  -1.830
  123   2HD   ARG  18          2HD       ARG  18   7.272   2.461  -1.787
  124    HE   ARG  18           HE       ARG  18   7.588   4.171  -0.241
  125   1HH1  ARG  18          1HH1      ARG  18   4.789   4.971  -2.217
  126   2HH1  ARG  18          2HH1      ARG  18   4.430   6.425  -1.347
  127   1HH2  ARG  18          1HH2      ARG  18   7.116   6.090   0.907
  128   2HH2  ARG  18          2HH2      ARG  18   5.763   7.066   0.442
  129    H    VAL  19           H        VAL  19   5.990  -0.695  -4.728
  130    HA   VAL  19           HA       VAL  19   6.693  -0.888  -7.508
  131    HB   VAL  19           HB       VAL  19   4.937  -2.805  -6.010
  132   1HG1  VAL  19          1HG1      VAL  19   6.315  -2.773  -8.519
  133   2HG1  VAL  19          2HG1      VAL  19   7.035  -4.040  -7.496
  134   3HG1  VAL  19          3HG1      VAL  19   5.286  -4.049  -7.826
  135   1HG2  VAL  19          1HG2      VAL  19   7.820  -2.184  -5.471
  136   2HG2  VAL  19          2HG2      VAL  19   6.524  -2.664  -4.349
  137   3HG2  VAL  19          3HG2      VAL  19   7.281  -3.879  -5.407
  138    H    ASP  20           H        ASP  20   4.178   0.551  -5.715
  139    HA   ASP  20           HA       ASP  20   2.254   1.398  -6.244
  140   1HB   ASP  20          1HB       ASP  20   3.197   2.489  -8.141
  141   2HB   ASP  20          2HB       ASP  20   3.405   0.987  -9.019
  142    H    CYS  21           H        CYS  21   0.370   0.242  -5.814
  143    HA   CYS  21           HA       CYS  21   0.104  -2.402  -6.915
  144   1HB   CYS  21          1HB       CYS  21  -0.516  -1.382  -4.502
  145   2HB   CYS  21          2HB       CYS  21  -2.071  -1.199  -5.289
  146    H    GLY  22           H        GLY  22  -0.901   0.889  -7.548
  147   1HA   GLY  22          1HA       GLY  22  -2.195   0.190  -9.968
  148   2HA   GLY  22          2HA       GLY  22  -2.121   1.773  -9.221
  149    H    TYR  23           H        TYR  23  -3.785   2.464  -7.750
  150    HA   TYR  23           HA       TYR  23  -6.235   0.891  -8.046
  151   1HB   TYR  23          1HB       TYR  23  -4.692   1.796  -5.590
  152   2HB   TYR  23          2HB       TYR  23  -6.438   1.914  -5.496
  153    HD1  TYR  23           HD1      TYR  23  -7.722  -0.312  -6.294
  154    HD2  TYR  23           HD2      TYR  23  -3.695  -0.167  -4.855
  155    HE1  TYR  23           HE1      TYR  23  -7.848  -2.774  -5.670
  156    HE2  TYR  23           HE2      TYR  23  -3.835  -2.629  -4.236
  157    HH   TYR  23           HH       TYR  23  -6.765  -4.289  -4.102
  158    HA   PRO  24           HA       PRO  24  -7.903   4.812  -8.806
  159   1HB   PRO  24          1HB       PRO  24 -10.566   4.315  -8.449
  160   2HB   PRO  24          2HB       PRO  24  -9.704   3.907  -9.919
  161   1HG   PRO  24          1HG       PRO  24 -10.625   2.118  -7.753
  162   2HG   PRO  24          2HG       PRO  24 -10.156   1.708  -9.391
  163   1HD   PRO  24          1HD       PRO  24  -8.596   1.331  -7.014
  164   2HD   PRO  24          2HD       PRO  24  -8.084   1.029  -8.662
  165    H    HIS  25           H        HIS  25 -10.025   3.616  -6.256
  166    HA   HIS  25           HA       HIS  25  -9.609   6.155  -4.923
  167   1HB   HIS  25          1HB       HIS  25 -11.535   5.586  -3.608
  168   2HB   HIS  25          2HB       HIS  25 -11.896   5.310  -5.300
  169    HD1  HIS  25           HD1      HIS  25 -13.640   3.888  -3.277
  170    HD2  HIS  25           HD2      HIS  25 -10.098   2.220  -4.785
  171    HE1  HIS  25           HE1      HIS  25 -13.846   1.365  -2.959
  172    HE2  HIS  25           HE2      HIS  25 -11.665   0.390  -3.954
  173    H    VAL  26           H        VAL  26  -7.453   5.920  -4.146
  174    HA   VAL  26           HA       VAL  26  -7.029   3.692  -2.301
  175    HB   VAL  26           HB       VAL  26  -4.659   4.430  -2.421
  176   1HG1  VAL  26          1HG1      VAL  26  -5.993   3.806  -5.078
  177   2HG1  VAL  26          2HG1      VAL  26  -4.262   3.605  -4.715
  178   3HG1  VAL  26          3HG1      VAL  26  -5.472   2.626  -3.852
  179   1HG2  VAL  26          1HG2      VAL  26  -5.700   6.798  -3.419
  180   2HG2  VAL  26          2HG2      VAL  26  -3.985   6.319  -3.423
  181   3HG2  VAL  26          3HG2      VAL  26  -4.997   6.019  -4.857
  182    H    THR  27           H        THR  27  -6.712   3.999  -0.103
  183    HA   THR  27           HA       THR  27  -6.400   6.691   0.910
  184    HB   THR  27           HB       THR  27  -8.506   6.859   1.947
  185    HG1  THR  27           HG1      THR  27  -9.522   4.947   2.677
  186   1HG2  THR  27          1HG2      THR  27  -9.034   5.030  -0.454
  187   2HG2  THR  27          2HG2      THR  27 -10.300   5.910   0.436
  188   3HG2  THR  27          3HG2      THR  27  -9.055   6.810  -0.465
  189    HA   PRO  28           HA       PRO  28  -4.446   4.639   4.137
  190   1HB   PRO  28          1HB       PRO  28  -5.108   6.022   6.399
  191   2HB   PRO  28          2HB       PRO  28  -3.916   6.587   5.245
  192   1HG   PRO  28          1HG       PRO  28  -6.682   7.542   5.671
  193   2HG   PRO  28          2HG       PRO  28  -5.358   8.343   4.848
  194   1HD   PRO  28          1HD       PRO  28  -7.589   7.020   3.625
  195   2HD   PRO  28          2HD       PRO  28  -6.208   7.720   2.805
  196    H    LYS  29           H        LYS  29  -6.811   3.346   3.321
  197    HA   LYS  29           HA       LYS  29  -7.034   1.518   5.401
  198   1HB   LYS  29          1HB       LYS  29  -8.288   3.624   6.328
  199   2HB   LYS  29          2HB       LYS  29  -9.572   3.124   5.247
  200   1HG   LYS  29          1HG       LYS  29  -8.273   1.176   7.196
  201   2HG   LYS  29          2HG       LYS  29  -9.622   2.191   7.670
  202   1HD   LYS  29          1HD       LYS  29 -10.108   0.827   5.098
  203   2HD   LYS  29          2HD       LYS  29  -9.795  -0.307   6.396
  204   1HE   LYS  29          1HE       LYS  29 -11.504   1.337   7.715
  205   2HE   LYS  29          2HE       LYS  29 -12.063   1.645   6.083
  206   1HZ   LYS  29          1HZ       LYS  29 -12.249  -0.773   5.810
  207   2HZ   LYS  29          2HZ       LYS  29 -11.867  -0.980   7.385
  208   3HZ   LYS  29          3HZ       LYS  29 -13.236  -0.189   6.973
  209    H    GLU  30           H        GLU  30  -8.840   3.177   2.739
  210    HA   GLU  30           HA       GLU  30 -10.111   0.814   1.930
  211   1HB   GLU  30          1HB       GLU  30 -11.104   2.936   1.359
  212   2HB   GLU  30          2HB       GLU  30  -9.639   3.498   0.578
  213   1HG   GLU  30          1HG       GLU  30 -10.111   2.406  -1.380
  214   2HG   GLU  30          2HG       GLU  30 -10.639   0.952  -0.556
  215    H    CYS  31           H        CYS  31  -7.095   2.518   0.955
  216    HA   CYS  31           HA       CYS  31  -6.584   0.871  -1.263
  217   1HB   CYS  31          1HB       CYS  31  -5.440   2.846  -1.380
  218   2HB   CYS  31          2HB       CYS  31  -5.059   2.872   0.330
  219    H    ASN  32           H        ASN  32  -5.732   0.814   2.239
  220    HA   ASN  32           HA       ASN  32  -4.062  -1.459   1.912
  221   1HB   ASN  32          1HB       ASN  32  -3.419  -0.972   4.068
  222   2HB   ASN  32          2HB       ASN  32  -4.334   0.507   3.852
  223   2HD2  ASN  32          2HD2      ASN  32  -3.902  -2.175   5.732
  224   1HD2  ASN  32          1HD2      ASN  32  -5.398  -2.212   6.605
  225    H    ASN  33           H        ASN  33  -7.391  -0.955   1.808
  226    HA   ASN  33           HA       ASN  33  -8.025  -3.388   3.244
  227   1HB   ASN  33          1HB       ASN  33  -9.498  -1.518   3.767
  228   2HB   ASN  33          2HB       ASN  33  -9.721  -1.133   2.072
  229   2HD2  ASN  33          2HD2      ASN  33 -11.446  -1.869   1.090
  230   1HD2  ASN  33          1HD2      ASN  33 -12.471  -3.166   1.608
  231    H    ARG  34           H        ARG  34  -8.084  -1.778   0.026
  232    HA   ARG  34           HA       ARG  34  -9.584  -3.628  -1.325
  233   1HB   ARG  34          1HB       ARG  34  -8.331  -1.282  -1.980
  234   2HB   ARG  34          2HB       ARG  34  -7.248  -2.410  -2.771
  235   1HG   ARG  34          1HG       ARG  34  -8.949  -1.807  -4.385
  236   2HG   ARG  34          2HG       ARG  34  -9.258  -3.464  -3.906
  237   1HD   ARG  34          1HD       ARG  34 -10.916  -2.535  -2.167
  238   2HD   ARG  34          2HD       ARG  34 -10.721  -0.969  -2.930
  239    HE   ARG  34           HE       ARG  34 -12.006  -1.710  -4.747
  240   1HH1  ARG  34          1HH1      ARG  34 -10.980  -4.482  -2.838
  241   2HH1  ARG  34          2HH1      ARG  34 -11.973  -5.607  -3.703
  242   1HH2  ARG  34          1HH2      ARG  34 -13.317  -3.194  -5.889
  243   2HH2  ARG  34          2HH2      ARG  34 -13.311  -4.869  -5.450
  244    H    GLY  35           H        GLY  35  -6.261  -3.741  -0.139
  245   1HA   GLY  35          1HA       GLY  35  -5.854  -6.305  -1.561
  246   2HA   GLY  35          2HA       GLY  35  -5.432  -6.045   0.120
  247    H    CYS  36           H        CYS  36  -3.877  -4.124   0.560
  248    HA   CYS  36           HA       CYS  36  -1.499  -4.566  -0.646
  249   1HB   CYS  36          1HB       CYS  36  -3.121  -3.174  -2.475
  250   2HB   CYS  36          2HB       CYS  36  -2.007  -1.981  -1.837
  251    H    CYS  37           H        CYS  37  -0.511  -1.775  -0.677
  252    HA   CYS  37           HA       CYS  37  -1.103  -1.066   2.105
  253   1HB   CYS  37          1HB       CYS  37   1.465  -1.464   0.698
  254   2HB   CYS  37          2HB       CYS  37   1.375  -0.022   1.690
  255    H    PHE  38           H        PHE  38  -1.050   1.279   2.555
  256    HA   PHE  38           HA       PHE  38  -1.453   2.851   0.107
  257   1HB   PHE  38          1HB       PHE  38  -3.510   2.552   1.463
  258   2HB   PHE  38          2HB       PHE  38  -2.645   2.934   2.938
  259    HD1  PHE  38           HD1      PHE  38  -3.976   4.361  -0.193
  260    HD2  PHE  38           HD2      PHE  38  -2.330   5.189   3.630
  261    HE1  PHE  38           HE1      PHE  38  -4.630   6.772  -0.433
  262    HE2  PHE  38           HE2      PHE  38  -2.984   7.600   3.390
  263    HZ   PHE  38           HZ       PHE  38  -4.127   8.363   1.361
  264    H    ASP  39           H        ASP  39  -1.196   5.349   0.672
  265    HA   ASP  39           HA       ASP  39   0.479   6.091   2.725
  266   1HB   ASP  39          1HB       ASP  39   2.215   4.763   1.590
  267   2HB   ASP  39          2HB       ASP  39   1.876   5.554   0.064
  268    H    SER  40           H        SER  40   0.588   8.412   2.720
  269    HA   SER  40           HA       SER  40  -0.227   9.681   0.231
  270   1HB   SER  40          1HB       SER  40  -1.710  11.205   1.475
  271   2HB   SER  40          2HB       SER  40  -2.207   9.541   1.708
  272    HG   SER  40           HG       SER  40  -2.187  10.213   3.777
  273    H    ARG  41           H        ARG  41   2.348   9.213   1.928
  274    HA   ARG  41           HA       ARG  41   3.056  11.578   3.127
  275   1HB   ARG  41          1HB       ARG  41   4.232   9.139   2.855
  276   2HB   ARG  41          2HB       ARG  41   5.172  10.012   1.661
  277   1HG   ARG  41          1HG       ARG  41   6.104  11.476   3.251
  278   2HG   ARG  41          2HG       ARG  41   4.768  11.288   4.369
  279   1HD   ARG  41          1HD       ARG  41   5.503   8.944   4.858
  280   2HD   ARG  41          2HD       ARG  41   6.837   9.126   3.736
  281    HE   ARG  41           HE       ARG  41   7.113  11.283   5.490
  282   1HH1  ARG  41          1HH1      ARG  41   6.964   7.784   5.829
  283   2HH1  ARG  41          2HH1      ARG  41   7.953   7.751   7.250
  284   1HH2  ARG  41          1HH2      ARG  41   8.419  11.241   7.365
  285   2HH2  ARG  41          2HH2      ARG  41   8.786   9.731   8.130
  286    H    ILE  42           H        ILE  42   3.413  10.422  -0.279
  287    HA   ILE  42           HA       ILE  42   3.615  13.170  -1.142
  288    HB   ILE  42           HB       ILE  42   5.638  12.121  -2.628
  289   1HG1  ILE  42          1HG1      ILE  42   7.234  11.078  -1.058
  290   2HG1  ILE  42          2HG1      ILE  42   5.997  11.040   0.183
  291   1HG2  ILE  42          1HG2      ILE  42   5.794  13.697  -0.046
  292   2HG2  ILE  42          2HG2      ILE  42   7.126  13.519  -1.213
  293   3HG2  ILE  42          3HG2      ILE  42   5.623  14.341  -1.696
  294   1HD1  ILE  42          1HD1      ILE  42   5.221   9.849  -2.450
  295   2HD1  ILE  42          2HD1      ILE  42   6.457   8.968  -1.520
  296   3HD1  ILE  42          3HD1      ILE  42   4.862   9.291  -0.799
  297    HA   PRO  43           HA       PRO  43   1.193  11.291  -4.205
  298   1HB   PRO  43          1HB       PRO  43   0.806  13.463  -5.819
  299   2HB   PRO  43          2HB       PRO  43  -0.146  13.156  -4.380
  300   1HG   PRO  43          1HG       PRO  43   2.013  15.134  -4.786
  301   2HG   PRO  43          2HG       PRO  43   0.783  15.092  -3.538
  302   1HD   PRO  43          1HD       PRO  43   3.542  14.356  -3.256
  303   2HD   PRO  43          2HD       PRO  43   2.287  14.205  -2.042
  304    H    GLY  44           H        GLY  44   4.105  13.006  -4.978
  305   1HA   GLY  44          1HA       GLY  44   5.736  12.467  -6.441
  306   2HA   GLY  44          2HA       GLY  44   4.442  12.482  -7.623
  307    H    VAL  45           H        VAL  45   4.544  10.171  -4.894
  308    HA   VAL  45           HA       VAL  45   5.362   8.075  -6.772
  309    HB   VAL  45           HB       VAL  45   6.349   6.998  -5.048
  310   1HG1  VAL  45          1HG1      VAL  45   6.273   9.889  -4.139
  311   2HG1  VAL  45          2HG1      VAL  45   7.307   8.654  -3.382
  312   3HG1  VAL  45          3HG1      VAL  45   7.528   9.068  -5.099
  313   1HG2  VAL  45          1HG2      VAL  45   4.070   8.042  -3.406
  314   2HG2  VAL  45          2HG2      VAL  45   4.671   6.378  -3.603
  315   3HG2  VAL  45          3HG2      VAL  45   5.558   7.529  -2.575
  316    HA   PRO  46           HA       PRO  46   1.497   6.154  -6.468
  317   1HB   PRO  46          1HB       PRO  46   2.015   3.490  -6.150
  318   2HB   PRO  46          2HB       PRO  46   2.148   4.314  -7.690
  319   1HG   PRO  46          1HG       PRO  46   4.303   3.405  -5.883
  320   2HG   PRO  46          2HG       PRO  46   4.401   3.832  -7.580
  321   1HD   PRO  46          1HD       PRO  46   5.246   5.433  -5.354
  322   2HD   PRO  46          2HD       PRO  46   5.236   5.906  -7.042
  323    H    TRP  47           H        TRP  47   0.634   7.238  -4.674
  324    HA   TRP  47           HA       TRP  47   1.035   6.880  -2.111
  325   1HB   TRP  47          1HB       TRP  47  -1.477   7.178  -3.680
  326   2HB   TRP  47          2HB       TRP  47  -1.629   6.802  -1.975
  327    HD1  TRP  47           HD1      TRP  47   1.241   9.096  -3.125
  328    HE1  TRP  47           HE1      TRP  47   0.914  11.560  -2.239
  329    HE3  TRP  47           HE3      TRP  47  -3.447   8.374  -1.294
  330    HZ2  TRP  47           HZ2      TRP  47  -1.221  12.901  -0.902
  331    HZ3  TRP  47           HZ3      TRP  47  -4.582  10.312  -0.213
  332    HH2  TRP  47           HH2      TRP  47  -3.545  12.515  -0.002
  333    H    CYS  48           H        CYS  48  -1.047   4.621  -4.069
  334    HA   CYS  48           HA       CYS  48  -0.865   2.696  -1.912
  335   1HB   CYS  48          1HB       CYS  48  -3.006   3.306  -3.209
  336   2HB   CYS  48          2HB       CYS  48  -2.351   2.326  -4.506
  337    H    PHE  49           H        PHE  49   0.906   1.354  -1.918
  338    HA   PHE  49           HA       PHE  49   1.796   0.362  -4.526
  339   1HB   PHE  49          1HB       PHE  49   4.153   0.523  -3.394
  340   2HB   PHE  49          2HB       PHE  49   3.435   2.037  -3.906
  341    HD1  PHE  49           HD1      PHE  49   3.640  -0.171  -0.906
  342    HD2  PHE  49           HD2      PHE  49   3.324   3.789  -2.398
  343    HE1  PHE  49           HE1      PHE  49   3.867   0.726   1.427
  344    HE2  PHE  49           HE2      PHE  49   3.551   4.686  -0.065
  345    HZ   PHE  49           HZ       PHE  49   3.820   3.144   1.820
  346    H    LYS  50           H        LYS  50   3.258  -1.636  -4.245
  347    HA   LYS  50           HA       LYS  50   1.864  -3.528  -2.729
  348   1HB   LYS  50          1HB       LYS  50   4.498  -3.564  -4.209
  349   2HB   LYS  50          2HB       LYS  50   3.908  -4.967  -3.341
  350   1HG   LYS  50          1HG       LYS  50   1.643  -4.281  -4.737
  351   2HG   LYS  50          2HG       LYS  50   2.871  -3.711  -5.849
  352   1HD   LYS  50          1HD       LYS  50   3.779  -6.262  -4.965
  353   2HD   LYS  50          2HD       LYS  50   2.061  -6.455  -5.255
  354   1HE   LYS  50          1HE       LYS  50   2.964  -4.915  -7.449
  355   2HE   LYS  50          2HE       LYS  50   4.242  -6.086  -7.192
  356   1HZ   LYS  50          1HZ       LYS  50   2.129  -7.634  -6.967
  357   2HZ   LYS  50          2HZ       LYS  50   1.514  -6.521  -7.992
  358   3HZ   LYS  50          3HZ       LYS  50   2.864  -7.347  -8.397
  359    HA   PRO  51           HA       PRO  51   3.852  -3.422   1.100
  360   1HB   PRO  51          1HB       PRO  51   3.982  -6.044   1.858
  361   2HB   PRO  51          2HB       PRO  51   2.519  -5.087   1.967
  362   1HG   PRO  51          1HG       PRO  51   3.216  -7.187   0.008
  363   2HG   PRO  51          2HG       PRO  51   1.639  -6.531   0.399
  364   1HD   PRO  51          1HD       PRO  51   3.220  -5.933  -1.918
  365   2HD   PRO  51          2HD       PRO  51   1.698  -5.191  -1.468
  366    H    LEU  52           H        LEU  52   5.827  -2.787   1.669
  367    HA   LEU  52           HA       LEU  52   8.029  -3.089   0.286
  368   1HB   LEU  52          1HB       LEU  52   8.366  -1.814   2.115
  369   2HB   LEU  52          2HB       LEU  52   7.485  -2.890   3.182
  370    HG   LEU  52           HG       LEU  52  10.099  -3.875   2.144
  371   1HD1  LEU  52          1HD1      LEU  52   9.795  -1.428   3.820
  372   2HD1  LEU  52          2HD1      LEU  52  11.067  -2.591   4.264
  373   3HD1  LEU  52          3HD1      LEU  52  11.052  -1.868   2.638
  374   1HD2  LEU  52          1HD2      LEU  52   8.451  -5.048   3.762
  375   2HD2  LEU  52          2HD2      LEU  52  10.192  -5.071   4.131
  376   3HD2  LEU  52          3HD2      LEU  52   9.116  -3.940   4.986
  377    H    GLN  53           H        GLN  53   9.344  -4.651  -0.512
  378    HA   GLN  53           HA       GLN  53   8.725  -7.345   0.294
  379   1HB   GLN  53          1HB       GLN  53   9.994  -6.028  -2.065
  380   2HB   GLN  53          2HB       GLN  53  10.629  -7.609  -1.658
  381   1HG   GLN  53          1HG       GLN  53   8.838  -8.551  -2.675
  382   2HG   GLN  53          2HG       GLN  53   7.808  -7.868  -1.432
  383   2HE2  GLN  53          2HE2      GLN  53   8.265  -5.131  -1.993
  384   1HE2  GLN  53          1HE2      GLN  53   7.488  -4.723  -3.486
  385    H    GLU  54           H        GLU  54   9.996  -5.814   2.327
  386    HA   GLU  54           HA       GLU  54  12.609  -7.112   2.340
  387   1HB   GLU  54          1HB       GLU  54  12.047  -4.323   2.493
  388   2HB   GLU  54          2HB       GLU  54  12.517  -4.805   4.111
  389   1HG   GLU  54          1HG       GLU  54  14.115  -5.491   1.599
  390   2HG   GLU  54          2HG       GLU  54  14.455  -4.112   2.625
  391    H    ALA  55           H        ALA  55  10.200  -8.355   3.229
  392    HA   ALA  55           HA       ALA  55  10.703  -8.385   6.123
  393   1HB   ALA  55          1HB       ALA  55   8.323  -7.585   4.764
  394   2HB   ALA  55          2HB       ALA  55   8.000  -9.168   5.513
  395   3HB   ALA  55          3HB       ALA  55   8.568  -7.809   6.513
  396    H    GLU  56           H        GLU  56  12.285 -10.046   4.961
  397    HA   GLU  56           HA       GLU  56  11.354 -12.319   3.807
  398   1HB   GLU  56          1HB       GLU  56  13.769 -11.696   5.515
  399   2HB   GLU  56          2HB       GLU  56  13.486 -13.349   5.006
  400   1HG   GLU  56          1HG       GLU  56  13.077 -11.972   2.634
  401   2HG   GLU  56          2HG       GLU  56  14.314 -10.990   3.394
  402    H    CYS  57           H        CYS  57   9.772 -13.682   4.520
  403    HA   CYS  57           HA       CYS  57  10.018 -14.658   7.245
  404   1HB   CYS  57          1HB       CYS  57   8.126 -12.724   6.597
  405   2HB   CYS  57          2HB       CYS  57   7.227 -14.227   6.525
  406    H    THR  58           H        THR  58   7.820 -14.773   4.334
  407    HA   THR  58           HA       THR  58   7.051 -16.474   3.126
  408    HB   THR  58           HB       THR  58   9.808 -17.517   3.926
  409    HG1  THR  58           HG1      THR  58  10.146 -16.752   1.719
  410   1HG2  THR  58          1HG2      THR  58   8.195 -19.412   3.226
  411   2HG2  THR  58          2HG2      THR  58   8.035 -18.566   1.668
  412   3HG2  THR  58          3HG2      THR  58   9.620 -19.192   2.182
  413    H    PHE  59           H        PHE  59   6.009 -18.582   3.168
  414    HA   PHE  59           HA       PHE  59   4.641 -19.983   4.195
  415   1HB   PHE  59          1HB       PHE  59   7.012 -20.956   4.547
  416   2HB   PHE  59          2HB       PHE  59   7.020 -20.212   6.134
  417    HD1  PHE  59           HD1      PHE  59   4.634 -22.330   4.175
  418    HD2  PHE  59           HD2      PHE  59   6.647 -21.683   7.854
  419    HE1  PHE  59           HE1      PHE  59   3.532 -24.369   5.137
  420    HE2  PHE  59           HE2      PHE  59   5.545 -23.722   8.816
  421    HZ   PHE  59           HZ       PHE  59   4.000 -25.041   7.446

  No H/Q in entry =         421
  Start of MODEL   63
    1    H    GLU   1           H        GLU   1  12.689 -16.077  13.219
    2    HA   GLU   1           HA       GLU   1  13.386 -16.662  15.959
    3   1HB   GLU   1          1HB       GLU   1  15.263 -15.348  14.587
    4   2HB   GLU   1          2HB       GLU   1  14.217 -13.972  14.875
    5   1HG   GLU   1          1HG       GLU   1  14.490 -15.505  17.336
    6   2HG   GLU   1          2HG       GLU   1  16.081 -15.156  16.690
    7    H    GLU   2           H        GLU   2  12.337 -13.870  13.862
    8    HA   GLU   2           HA       GLU   2   9.722 -13.974  14.857
    9   1HB   GLU   2          1HB       GLU   2  11.537 -12.650  16.578
   10   2HB   GLU   2          2HB       GLU   2  10.693 -11.361  15.744
   11   1HG   GLU   2          1HG       GLU   2   8.499 -12.578  16.315
   12   2HG   GLU   2          2HG       GLU   2   9.442 -13.639  17.341
   13    H    TYR   3           H        TYR   3   8.969 -13.720  12.761
   14    HA   TYR   3           HA       TYR   3   9.626 -11.152  11.502
   15   1HB   TYR   3          1HB       TYR   3  10.903 -12.752  10.231
   16   2HB   TYR   3          2HB       TYR   3   9.753 -14.039  10.535
   17    HD1  TYR   3           HD1      TYR   3   9.590 -10.635   8.939
   18    HD2  TYR   3           HD2      TYR   3   8.711 -14.810   8.622
   19    HE1  TYR   3           HE1      TYR   3   8.544 -10.249   6.654
   20    HE2  TYR   3           HE2      TYR   3   7.668 -14.410   6.338
   21    HH   TYR   3           HH       TYR   3   8.092 -12.494   4.478
   22    H    VAL   4           H        VAL   4   7.692 -10.090  11.801
   23    HA   VAL   4           HA       VAL   4   5.488 -10.947  10.260
   24    HB   VAL   4           HB       VAL   4   5.240 -12.505  12.137
   25   1HG1  VAL   4          1HG1      VAL   4   5.741 -10.081  13.706
   26   2HG1  VAL   4          2HG1      VAL   4   4.319 -10.992  14.267
   27   3HG1  VAL   4          3HG1      VAL   4   5.904 -11.795  14.158
   28   1HG2  VAL   4          1HG2      VAL   4   3.213 -10.371  11.584
   29   2HG2  VAL   4          2HG2      VAL   4   3.168 -12.114  11.225
   30   3HG2  VAL   4          3HG2      VAL   4   2.883 -11.539  12.886
   31    H    GLY   5           H        GLY   5   6.998  -8.691  10.075
   32   1HA   GLY   5          1HA       GLY   5   7.062  -6.434  10.395
   33   2HA   GLY   5          2HA       GLY   5   5.900  -6.569  11.699
   34    H    LEU   6           H        LEU   6   3.817  -5.907  11.329
   35    HA   LEU   6           HA       LEU   6   3.091  -5.482   8.517
   36   1HB   LEU   6          1HB       LEU   6   0.779  -6.102   9.110
   37   2HB   LEU   6          2HB       LEU   6   1.921  -7.430   9.173
   38    HG   LEU   6           HG       LEU   6   1.918  -6.505  11.785
   39   1HD1  LEU   6          1HD1      LEU   6  -0.432  -5.474  10.578
   40   2HD1  LEU   6          2HD1      LEU   6  -0.924  -6.811  11.645
   41   3HD1  LEU   6          3HD1      LEU   6   0.033  -5.459  12.296
   42   1HD2  LEU   6          1HD2      LEU   6   0.880  -8.826  10.293
   43   2HD2  LEU   6          2HD2      LEU   6   1.899  -8.749  11.750
   44   3HD2  LEU   6          3HD2      LEU   6   0.135  -8.559  11.887
   45    H    SER   7           H        SER   7   1.426  -3.751   8.233
   46    HA   SER   7           HA       SER   7   0.681  -1.739   8.557
   47   1HB   SER   7          1HB       SER   7  -0.167  -1.079  10.665
   48   2HB   SER   7          2HB       SER   7  -0.207  -2.829  10.728
   49    HG   SER   7           HG       SER   7   1.298  -2.853  12.276
   50    H    ALA   8           H        ALA   8   2.218  -0.393   7.626
   51    HA   ALA   8           HA       ALA   8   3.688   1.305   7.697
   52   1HB   ALA   8          1HB       ALA   8   4.323   2.232   9.679
   53   2HB   ALA   8          2HB       ALA   8   4.870   0.677  10.350
   54   3HB   ALA   8          3HB       ALA   8   3.139   1.092  10.363
   55    H    ASN   9           H        ASN   9   4.834  -1.677   9.424
   56    HA   ASN   9           HA       ASN   9   7.425  -1.551   8.605
   57   1HB   ASN   9          1HB       ASN   9   5.562  -3.629   9.601
   58   2HB   ASN   9          2HB       ASN   9   6.812  -4.301   8.574
   59   2HD2  ASN   9          2HD2      ASN   9   6.008  -3.426  11.652
   60   1HD2  ASN   9          1HD2      ASN   9   7.574  -3.296  12.381
   61    H    GLN  10           H        GLN  10   4.686  -3.479   7.146
   62    HA   GLN  10           HA       GLN  10   6.183  -4.199   4.894
   63   1HB   GLN  10          1HB       GLN  10   3.983  -4.998   4.008
   64   2HB   GLN  10          2HB       GLN  10   4.304  -5.561   5.636
   65   1HG   GLN  10          1HG       GLN  10   3.002  -3.271   6.269
   66   2HG   GLN  10          2HG       GLN  10   2.296  -3.530   4.687
   67   2HE2  GLN  10          2HE2      GLN  10   2.106  -6.192   4.438
   68   1HE2  GLN  10          1HE2      GLN  10   1.052  -6.883   5.627
   69    H    CYS  11           H        CYS  11   4.396  -1.329   5.800
   70    HA   CYS  11           HA       CYS  11   4.521  -0.419   3.018
   71   1HB   CYS  11          1HB       CYS  11   2.833   0.989   5.032
   72   2HB   CYS  11          2HB       CYS  11   2.629   0.843   3.298
   73    H    ALA  12           H        ALA  12   6.878  -0.477   4.563
   74    HA   ALA  12           HA       ALA  12   7.159   2.325   5.408
   75   1HB   ALA  12          1HB       ALA  12   9.328   1.093   6.462
   76   2HB   ALA  12          2HB       ALA  12   7.770   1.214   7.314
   77   3HB   ALA  12          3HB       ALA  12   8.193  -0.277   6.438
   78    H    VAL  13           H        VAL  13   7.123   1.915   2.687
   79    HA   VAL  13           HA       VAL  13   9.846   1.465   1.817
   80    HB   VAL  13           HB       VAL  13   7.801   2.460  -0.066
   81   1HG1  VAL  13          1HG1      VAL  13  10.116   0.649  -0.009
   82   2HG1  VAL  13          2HG1      VAL  13   8.750   0.035  -0.971
   83   3HG1  VAL  13          3HG1      VAL  13   9.455   1.627  -1.341
   84   1HG2  VAL  13          1HG2      VAL  13   7.355   0.039   1.647
   85   2HG2  VAL  13          2HG2      VAL  13   6.185   1.218   1.008
   86   3HG2  VAL  13          3HG2      VAL  13   6.880  -0.018  -0.068
   87    HA   PRO  14           HA       PRO  14  10.879   5.662   1.780
   88   1HB   PRO  14          1HB       PRO  14  12.923   5.683  -0.034
   89   2HB   PRO  14          2HB       PRO  14  13.126   5.180   1.632
   90   1HG   PRO  14          1HG       PRO  14  12.994   3.512  -0.805
   91   2HG   PRO  14          2HG       PRO  14  13.609   3.092   0.781
   92   1HD   PRO  14          1HD       PRO  14  11.091   2.308  -0.345
   93   2HD   PRO  14          2HD       PRO  14  11.657   1.986   1.281
   94    H    ALA  15           H        ALA  15   9.194   4.248  -0.598
   95    HA   ALA  15           HA       ALA  15   7.734   5.251  -1.988
   96   1HB   ALA  15          1HB       ALA  15   8.524   7.436  -0.562
   97   2HB   ALA  15          2HB       ALA  15   7.409   7.507  -1.948
   98   3HB   ALA  15          3HB       ALA  15   9.138   7.865  -2.176
   99    H    LYS  16           H        LYS  16  11.175   5.094  -2.189
  100    HA   LYS  16           HA       LYS  16  11.134   5.503  -5.077
  101   1HB   LYS  16          1HB       LYS  16  13.581   5.468  -4.892
  102   2HB   LYS  16          2HB       LYS  16  12.864   6.686  -3.857
  103   1HG   LYS  16          1HG       LYS  16  14.595   5.507  -2.595
  104   2HG   LYS  16          2HG       LYS  16  13.033   5.114  -1.906
  105   1HD   LYS  16          1HD       LYS  16  13.064   2.915  -2.712
  106   2HD   LYS  16          2HD       LYS  16  14.079   3.313  -4.084
  107   1HE   LYS  16          1HE       LYS  16  16.059   3.500  -2.661
  108   2HE   LYS  16          2HE       LYS  16  15.092   3.376  -1.205
  109   1HZ   LYS  16          1HZ       LYS  16  14.627   1.197  -2.936
  110   2HZ   LYS  16          2HZ       LYS  16  16.214   1.318  -2.567
  111   3HZ   LYS  16          3HZ       LYS  16  15.105   1.191  -1.374
  112    H    ASP  17           H        ASP  17  10.263   3.100  -3.045
  113    HA   ASP  17           HA       ASP  17  11.309   1.106  -4.889
  114   1HB   ASP  17          1HB       ASP  17  12.544   0.710  -2.877
  115   2HB   ASP  17          2HB       ASP  17  11.158   1.040  -1.857
  116    H    ARG  18           H        ARG  18   8.724   2.735  -4.587
  117    HA   ARG  18           HA       ARG  18   6.812   0.955  -3.536
  118   1HB   ARG  18          1HB       ARG  18   6.288   3.258  -5.472
  119   2HB   ARG  18          2HB       ARG  18   5.174   2.592  -4.294
  120   1HG   ARG  18          1HG       ARG  18   7.819   3.746  -3.363
  121   2HG   ARG  18          2HG       ARG  18   6.495   4.826  -3.751
  122   1HD   ARG  18          1HD       ARG  18   5.237   2.892  -2.176
  123   2HD   ARG  18          2HD       ARG  18   6.819   3.007  -1.432
  124    HE   ARG  18           HE       ARG  18   5.523   5.595  -2.017
  125   1HH1  ARG  18          1HH1      ARG  18   6.117   3.073   0.364
  126   2HH1  ARG  18          2HH1      ARG  18   5.761   4.090   1.719
  127   1HH2  ARG  18          1HH2      ARG  18   5.052   6.938  -0.229
  128   2HH2  ARG  18          2HH2      ARG  18   5.151   6.304   1.379
  129    H    VAL  19           H        VAL  19   5.690  -0.689  -4.585
  130    HA   VAL  19           HA       VAL  19   6.470  -1.258  -7.304
  131    HB   VAL  19           HB       VAL  19   4.638  -2.745  -5.413
  132   1HG1  VAL  19          1HG1      VAL  19   5.978  -3.514  -8.019
  133   2HG1  VAL  19          2HG1      VAL  19   5.309  -4.704  -6.877
  134   3HG1  VAL  19          3HG1      VAL  19   4.240  -3.501  -7.636
  135   1HG2  VAL  19          1HG2      VAL  19   7.462  -2.337  -5.268
  136   2HG2  VAL  19          2HG2      VAL  19   6.432  -3.372  -4.249
  137   3HG2  VAL  19          3HG2      VAL  19   7.169  -4.031  -5.729
  138    H    ASP  20           H        ASP  20   4.147   0.674  -5.785
  139    HA   ASP  20           HA       ASP  20   2.277   1.589  -6.398
  140   1HB   ASP  20          1HB       ASP  20   3.744   2.230  -8.363
  141   2HB   ASP  20          2HB       ASP  20   3.124   0.843  -9.237
  142    H    CYS  21           H        CYS  21   0.499   0.337  -5.735
  143    HA   CYS  21           HA       CYS  21  -0.004  -2.214  -6.849
  144   1HB   CYS  21          1HB       CYS  21  -0.715  -0.904  -4.540
  145   2HB   CYS  21          2HB       CYS  21  -2.222  -0.909  -5.433
  146    H    GLY  22           H        GLY  22  -0.492   0.996  -7.919
  147   1HA   GLY  22          1HA       GLY  22  -1.727   0.365 -10.292
  148   2HA   GLY  22          2HA       GLY  22  -1.738   1.945  -9.533
  149    H    TYR  23           H        TYR  23  -3.469   2.445  -7.927
  150    HA   TYR  23           HA       TYR  23  -5.943   1.152  -8.749
  151   1HB   TYR  23          1HB       TYR  23  -4.584   0.399  -6.437
  152   2HB   TYR  23          2HB       TYR  23  -5.516   1.747  -5.816
  153    HD1  TYR  23           HD1      TYR  23  -6.482  -0.810  -8.377
  154    HD2  TYR  23           HD2      TYR  23  -7.161   0.778  -4.463
  155    HE1  TYR  23           HE1      TYR  23  -8.504  -2.326  -8.105
  156    HE2  TYR  23           HE2      TYR  23  -9.181  -0.743  -4.204
  157    HH   TYR  23           HH       TYR  23 -10.573  -2.077  -5.253
  158    HA   PRO  24           HA       PRO  24  -7.288   5.258  -8.471
  159   1HB   PRO  24          1HB       PRO  24  -9.996   4.900  -8.561
  160   2HB   PRO  24          2HB       PRO  24  -8.978   4.878  -9.988
  161   1HG   PRO  24          1HG       PRO  24 -10.245   2.609  -8.579
  162   2HG   PRO  24          2HG       PRO  24  -9.597   2.667 -10.206
  163   1HD   PRO  24          1HD       PRO  24  -8.363   1.472  -7.908
  164   2HD   PRO  24          2HD       PRO  24  -7.666   1.632  -9.508
  165    H    HIS  25           H        HIS  25 -10.050   3.951  -6.814
  166    HA   HIS  25           HA       HIS  25  -9.913   5.848  -4.813
  167   1HB   HIS  25          1HB       HIS  25 -11.509   4.299  -3.614
  168   2HB   HIS  25          2HB       HIS  25 -11.981   4.810  -5.222
  169    HD1  HIS  25           HD1      HIS  25 -13.533   2.676  -5.371
  170    HD2  HIS  25           HD2      HIS  25  -9.427   1.866  -5.074
  171    HE1  HIS  25           HE1      HIS  25 -13.241   0.220  -5.998
  172    HE2  HIS  25           HE2      HIS  25 -10.693  -0.205  -5.851
  173    H    VAL  26           H        VAL  26  -7.746   5.975  -4.019
  174    HA   VAL  26           HA       VAL  26  -6.993   3.666  -2.361
  175    HB   VAL  26           HB       VAL  26  -4.671   4.460  -2.650
  176   1HG1  VAL  26          1HG1      VAL  26  -6.236   3.754  -5.150
  177   2HG1  VAL  26          2HG1      VAL  26  -4.458   3.769  -5.068
  178   3HG1  VAL  26          3HG1      VAL  26  -5.387   2.650  -4.041
  179   1HG2  VAL  26          1HG2      VAL  26  -5.945   6.769  -3.720
  180   2HG2  VAL  26          2HG2      VAL  26  -4.992   6.029  -5.029
  181   3HG2  VAL  26          3HG2      VAL  26  -4.205   6.469  -3.495
  182    H    THR  27           H        THR  27  -7.201   4.018  -0.217
  183    HA   THR  27           HA       THR  27  -6.642   6.713   0.779
  184    HB   THR  27           HB       THR  27  -8.756   6.935   1.795
  185    HG1  THR  27           HG1      THR  27  -9.468   5.101   2.809
  186   1HG2  THR  27          1HG2      THR  27  -9.415   5.035  -0.517
  187   2HG2  THR  27          2HG2      THR  27 -10.538   6.180   0.256
  188   3HG2  THR  27          3HG2      THR  27  -9.164   6.788  -0.699
  189    HA   PRO  28           HA       PRO  28  -4.781   4.668   4.066
  190   1HB   PRO  28          1HB       PRO  28  -5.474   6.071   6.307
  191   2HB   PRO  28          2HB       PRO  28  -4.254   6.617   5.173
  192   1HG   PRO  28          1HG       PRO  28  -7.017   7.601   5.540
  193   2HG   PRO  28          2HG       PRO  28  -5.670   8.385   4.738
  194   1HD   PRO  28          1HD       PRO  28  -7.891   7.076   3.479
  195   2HD   PRO  28          2HD       PRO  28  -6.486   7.757   2.682
  196    H    LYS  29           H        LYS  29  -7.209   3.450   3.216
  197    HA   LYS  29           HA       LYS  29  -7.471   1.615   5.301
  198   1HB   LYS  29          1HB       LYS  29  -8.717   3.754   6.178
  199   2HB   LYS  29          2HB       LYS  29  -9.989   3.242   5.087
  200   1HG   LYS  29          1HG       LYS  29  -9.029   0.926   6.551
  201   2HG   LYS  29          2HG       LYS  29  -9.382   2.208   7.693
  202   1HD   LYS  29          1HD       LYS  29 -11.566   2.373   5.989
  203   2HD   LYS  29          2HD       LYS  29 -11.237   0.652   5.967
  204   1HE   LYS  29          1HE       LYS  29 -11.708   0.381   8.240
  205   2HE   LYS  29          2HE       LYS  29 -11.208   2.009   8.653
  206   1HZ   LYS  29          1HZ       LYS  29 -13.261   2.571   7.155
  207   2HZ   LYS  29          2HZ       LYS  29 -13.751   1.089   7.635
  208   3HZ   LYS  29          3HZ       LYS  29 -13.430   2.243   8.746
  209    H    GLU  30           H        GLU  30  -8.887   3.262   2.447
  210    HA   GLU  30           HA       GLU  30 -10.281   0.911   1.666
  211   1HB   GLU  30          1HB       GLU  30 -10.614   3.562   1.121
  212   2HB   GLU  30          2HB       GLU  30  -9.748   3.081  -0.325
  213   1HG   GLU  30          1HG       GLU  30 -11.492   1.798  -1.113
  214   2HG   GLU  30          2HG       GLU  30 -11.920   1.208   0.481
  215    H    CYS  31           H        CYS  31  -7.170   2.515   0.924
  216    HA   CYS  31           HA       CYS  31  -6.614   0.823  -1.294
  217   1HB   CYS  31          1HB       CYS  31  -5.515   2.812  -1.505
  218   2HB   CYS  31          2HB       CYS  31  -5.183   2.955   0.210
  219    H    ASN  32           H        ASN  32  -6.239   0.771   2.227
  220    HA   ASN  32           HA       ASN  32  -4.379  -1.425   2.056
  221   1HB   ASN  32          1HB       ASN  32  -3.818  -0.897   4.240
  222   2HB   ASN  32          2HB       ASN  32  -4.575   0.634   3.848
  223   2HD2  ASN  32          2HD2      ASN  32  -4.318  -1.210   6.293
  224   1HD2  ASN  32          1HD2      ASN  32  -5.913  -1.270   6.968
  225    H    ASN  33           H        ASN  33  -7.634  -1.044   1.659
  226    HA   ASN  33           HA       ASN  33  -8.393  -3.255   3.367
  227   1HB   ASN  33          1HB       ASN  33  -9.993  -1.478   3.498
  228   2HB   ASN  33          2HB       ASN  33  -9.914  -1.154   1.777
  229   2HD2  ASN  33          2HD2      ASN  33 -11.448  -2.850   4.285
  230   1HD2  ASN  33          1HD2      ASN  33 -12.551  -3.810   3.356
  231    H    ARG  34           H        ARG  34  -8.346  -2.103  -0.069
  232    HA   ARG  34           HA       ARG  34  -9.580  -4.236  -1.224
  233   1HB   ARG  34          1HB       ARG  34  -8.561  -1.943  -2.179
  234   2HB   ARG  34          2HB       ARG  34  -7.198  -2.963  -2.593
  235   1HG   ARG  34          1HG       ARG  34 -10.043  -3.096  -3.614
  236   2HG   ARG  34          2HG       ARG  34  -8.549  -3.083  -4.529
  237   1HD   ARG  34          1HD       ARG  34  -8.016  -5.385  -3.676
  238   2HD   ARG  34          2HD       ARG  34  -9.525  -5.397  -2.784
  239    HE   ARG  34           HE       ARG  34 -10.032  -4.776  -5.556
  240   1HH1  ARG  34          1HH1      ARG  34  -9.196  -7.459  -3.439
  241   2HH1  ARG  34          2HH1      ARG  34  -9.897  -8.660  -4.472
  242   1HH2  ARG  34          1HH2      ARG  34 -10.957  -6.359  -6.919
  243   2HH2  ARG  34          2HH2      ARG  34 -10.906  -8.029  -6.465
  244    H    GLY  35           H        GLY  35  -6.218  -3.833  -0.070
  245   1HA   GLY  35          1HA       GLY  35  -5.622  -6.595  -0.949
  246   2HA   GLY  35          2HA       GLY  35  -5.268  -6.019   0.668
  247    H    CYS  36           H        CYS  36  -3.880  -3.921   0.781
  248    HA   CYS  36           HA       CYS  36  -1.471  -4.426  -0.480
  249   1HB   CYS  36          1HB       CYS  36  -3.238  -3.115  -2.226
  250   2HB   CYS  36          2HB       CYS  36  -2.150  -1.867  -1.650
  251    H    CYS  37           H        CYS  37  -0.608  -1.585  -0.585
  252    HA   CYS  37           HA       CYS  37  -1.093  -0.861   2.213
  253   1HB   CYS  37          1HB       CYS  37   1.476  -0.998   0.669
  254   2HB   CYS  37          2HB       CYS  37   1.303   0.156   1.977
  255    H    PHE  38           H        PHE  38  -1.211   1.451   2.617
  256    HA   PHE  38           HA       PHE  38  -1.582   3.002   0.152
  257   1HB   PHE  38          1HB       PHE  38  -3.666   2.640   1.448
  258   2HB   PHE  38          2HB       PHE  38  -2.857   3.053   2.947
  259    HD1  PHE  38           HD1      PHE  38  -4.081   4.447  -0.251
  260    HD2  PHE  38           HD2      PHE  38  -2.698   5.302   3.668
  261    HE1  PHE  38           HE1      PHE  38  -4.807   6.835  -0.516
  262    HE2  PHE  38           HE2      PHE  38  -3.425   7.690   3.404
  263    HZ   PHE  38           HZ       PHE  38  -4.470   8.428   1.314
  264    H    ASP  39           H        ASP  39  -1.436   5.513   0.725
  265    HA   ASP  39           HA       ASP  39   0.161   6.314   2.817
  266   1HB   ASP  39          1HB       ASP  39   2.039   5.162   1.864
  267   2HB   ASP  39          2HB       ASP  39   1.616   5.647   0.234
  268    H    SER  40           H        SER  40   0.323   8.658   2.763
  269    HA   SER  40           HA       SER  40  -0.527   9.889   0.274
  270   1HB   SER  40          1HB       SER  40  -2.077  11.378   1.484
  271   2HB   SER  40          2HB       SER  40  -2.536   9.700   1.701
  272    HG   SER  40           HG       SER  40  -1.340  11.506   3.581
  273    H    ARG  41           H        ARG  41   2.031   9.500   1.994
  274    HA   ARG  41           HA       ARG  41   2.611  11.958   3.149
  275   1HB   ARG  41          1HB       ARG  41   3.809   9.523   3.178
  276   2HB   ARG  41          2HB       ARG  41   4.825  10.283   1.969
  277   1HG   ARG  41          1HG       ARG  41   5.537  12.008   3.481
  278   2HG   ARG  41          2HG       ARG  41   4.239  11.673   4.610
  279   1HD   ARG  41          1HD       ARG  41   5.242   9.502   5.205
  280   2HD   ARG  41          2HD       ARG  41   6.468   9.684   3.967
  281    HE   ARG  41           HE       ARG  41   7.615  11.245   5.325
  282   1HH1  ARG  41          1HH1      ARG  41   4.476  10.477   6.716
  283   2HH1  ARG  41          2HH1      ARG  41   4.821  11.232   8.236
  284   1HH2  ARG  41          1HH2      ARG  41   8.072  12.241   7.330
  285   2HH2  ARG  41          2HH2      ARG  41   6.881  12.242   8.587
  286    H    ILE  42           H        ILE  42   3.274  10.530  -0.109
  287    HA   ILE  42           HA       ILE  42   3.599  13.229  -1.136
  288    HB   ILE  42           HB       ILE  42   5.586  11.916  -2.481
  289   1HG1  ILE  42          1HG1      ILE  42   7.067  10.961  -0.727
  290   2HG1  ILE  42          2HG1      ILE  42   5.754  11.075   0.427
  291   1HG2  ILE  42          1HG2      ILE  42   5.346  14.259  -1.300
  292   2HG2  ILE  42          2HG2      ILE  42   6.287  13.461  -0.017
  293   3HG2  ILE  42          3HG2      ILE  42   6.946  13.570  -1.667
  294   1HD1  ILE  42          1HD1      ILE  42   4.982   9.735  -2.103
  295   2HD1  ILE  42          2HD1      ILE  42   6.250   8.886  -1.188
  296   3HD1  ILE  42          3HD1      ILE  42   4.685   9.242  -0.419
  297    HA   PRO  43           HA       PRO  43   1.136  11.330  -4.157
  298   1HB   PRO  43          1HB       PRO  43   0.905  13.440  -5.879
  299   2HB   PRO  43          2HB       PRO  43  -0.097  13.253  -4.453
  300   1HG   PRO  43          1HG       PRO  43   2.175  15.093  -4.893
  301   2HG   PRO  43          2HG       PRO  43   0.916  15.175  -3.677
  302   1HD   PRO  43          1HD       PRO  43   3.623  14.309  -3.289
  303   2HD   PRO  43          2HD       PRO  43   2.334  14.282  -2.103
  304    H    GLY  44           H        GLY  44   4.054  13.017  -5.088
  305   1HA   GLY  44          1HA       GLY  44   5.724  12.263  -6.429
  306   2HA   GLY  44          2HA       GLY  44   4.453  12.307  -7.636
  307    H    VAL  45           H        VAL  45   4.764  10.105  -4.779
  308    HA   VAL  45           HA       VAL  45   5.389   7.907  -6.578
  309    HB   VAL  45           HB       VAL  45   6.235   6.829  -4.764
  310   1HG1  VAL  45          1HG1      VAL  45   7.086   9.340  -5.036
  311   2HG1  VAL  45          2HG1      VAL  45   6.442   9.472  -3.382
  312   3HG1  VAL  45          3HG1      VAL  45   7.701   8.270  -3.753
  313   1HG2  VAL  45          1HG2      VAL  45   4.072   8.209  -3.188
  314   2HG2  VAL  45          2HG2      VAL  45   4.415   6.471  -3.363
  315   3HG2  VAL  45          3HG2      VAL  45   5.471   7.489  -2.355
  316    HA   PRO  46           HA       PRO  46   1.442   6.152  -6.364
  317   1HB   PRO  46          1HB       PRO  46   1.858   3.474  -6.014
  318   2HB   PRO  46          2HB       PRO  46   2.055   4.281  -7.557
  319   1HG   PRO  46          1HG       PRO  46   4.135   3.310  -5.694
  320   2HG   PRO  46          2HG       PRO  46   4.286   3.721  -7.391
  321   1HD   PRO  46          1HD       PRO  46   5.137   5.308  -5.159
  322   2HD   PRO  46          2HD       PRO  46   5.182   5.768  -6.849
  323    H    TRP  47           H        TRP  47   0.527   7.250  -4.621
  324    HA   TRP  47           HA       TRP  47   0.860   6.933  -2.041
  325   1HB   TRP  47          1HB       TRP  47  -1.610   7.224  -3.679
  326   2HB   TRP  47          2HB       TRP  47  -1.806   6.886  -1.970
  327    HD1  TRP  47           HD1      TRP  47   1.120   9.125  -3.084
  328    HE1  TRP  47           HE1      TRP  47   0.793  11.611  -2.262
  329    HE3  TRP  47           HE3      TRP  47  -3.631   8.494  -1.385
  330    HZ2  TRP  47           HZ2      TRP  47  -1.367  13.004  -1.022
  331    HZ3  TRP  47           HZ3      TRP  47  -4.778  10.468  -0.382
  332    HH2  TRP  47           HH2      TRP  47  -3.722  12.664  -0.187
  333    H    CYS  48           H        CYS  48  -1.104   4.632  -4.063
  334    HA   CYS  48           HA       CYS  48  -1.043   2.754  -1.852
  335   1HB   CYS  48          1HB       CYS  48  -3.135   3.329  -3.212
  336   2HB   CYS  48          2HB       CYS  48  -2.428   2.379  -4.504
  337    H    PHE  49           H        PHE  49   0.766   1.463  -1.759
  338    HA   PHE  49           HA       PHE  49   1.748   0.404  -4.309
  339   1HB   PHE  49          1HB       PHE  49   4.056   0.595  -3.098
  340   2HB   PHE  49          2HB       PHE  49   3.349   2.104  -3.639
  341    HD1  PHE  49           HD1      PHE  49   3.544  -0.090  -0.635
  342    HD2  PHE  49           HD2      PHE  49   3.097   3.854  -2.134
  343    HE1  PHE  49           HE1      PHE  49   3.687   0.814   1.703
  344    HE2  PHE  49           HE2      PHE  49   3.240   4.759   0.203
  345    HZ   PHE  49           HZ       PHE  49   3.533   3.228   2.093
  346    H    LYS  50           H        LYS  50   3.205  -1.583  -3.928
  347    HA   LYS  50           HA       LYS  50   1.752  -3.381  -2.272
  348   1HB   LYS  50          1HB       LYS  50   4.349  -3.840  -3.767
  349   2HB   LYS  50          2HB       LYS  50   3.245  -5.064  -3.171
  350   1HG   LYS  50          1HG       LYS  50   1.433  -3.985  -4.648
  351   2HG   LYS  50          2HG       LYS  50   2.703  -3.012  -5.363
  352   1HD   LYS  50          1HD       LYS  50   2.771  -4.787  -6.845
  353   2HD   LYS  50          2HD       LYS  50   3.893  -5.412  -5.653
  354   1HE   LYS  50          1HE       LYS  50   2.356  -6.957  -4.797
  355   2HE   LYS  50          2HE       LYS  50   0.966  -5.976  -5.217
  356   1HZ   LYS  50          1HZ       LYS  50   2.595  -7.015  -7.379
  357   2HZ   LYS  50          2HZ       LYS  50   1.605  -8.054  -6.600
  358   3HZ   LYS  50          3HZ       LYS  50   0.987  -6.734  -7.336
  359    HA   PRO  51           HA       PRO  51   4.200  -3.332   1.283
  360   1HB   PRO  51          1HB       PRO  51   4.321  -5.947   2.066
  361   2HB   PRO  51          2HB       PRO  51   2.919  -4.931   2.334
  362   1HG   PRO  51          1HG       PRO  51   3.295  -7.084   0.343
  363   2HG   PRO  51          2HG       PRO  51   1.802  -6.360   0.909
  364   1HD   PRO  51          1HD       PRO  51   3.113  -5.856  -1.592
  365   2HD   PRO  51          2HD       PRO  51   1.685  -5.048  -0.975
  366    H    LEU  52           H        LEU  52   6.250  -2.755   1.576
  367    HA   LEU  52           HA       LEU  52   8.245  -3.235  -0.084
  368   1HB   LEU  52          1HB       LEU  52   8.475  -1.782   1.790
  369   2HB   LEU  52          2HB       LEU  52   8.330  -3.109   2.926
  370    HG   LEU  52           HG       LEU  52  10.627  -2.771   0.978
  371   1HD1  LEU  52          1HD1      LEU  52  10.282  -1.876   3.833
  372   2HD1  LEU  52          2HD1      LEU  52  11.890  -2.237   3.160
  373   3HD1  LEU  52          3HD1      LEU  52  10.884  -0.964   2.428
  374   1HD2  LEU  52          1HD2      LEU  52   9.807  -4.923   2.779
  375   2HD2  LEU  52          2HD2      LEU  52  10.984  -4.923   1.443
  376   3HD2  LEU  52          3HD2      LEU  52  11.475  -4.369   3.062
  377    H    GLN  53           H        GLN  53   9.733  -4.825  -0.643
  378    HA   GLN  53           HA       GLN  53   8.884  -7.449  -0.231
  379   1HB   GLN  53          1HB       GLN  53  11.107  -6.061  -1.636
  380   2HB   GLN  53          2HB       GLN  53  11.478  -7.701  -1.143
  381   1HG   GLN  53          1HG       GLN  53  10.373  -8.384  -3.008
  382   2HG   GLN  53          2HG       GLN  53   8.892  -7.950  -2.178
  383   2HE2  GLN  53          2HE2      GLN  53   8.700  -5.360  -2.123
  384   1HE2  GLN  53          1HE2      GLN  53   8.742  -4.621  -3.688
  385    H    GLU  54           H        GLU  54   8.785  -7.315   2.222
  386    HA   GLU  54           HA       GLU  54  10.886  -6.938   3.849
  387   1HB   GLU  54          1HB       GLU  54   9.698  -8.249   5.495
  388   2HB   GLU  54          2HB       GLU  54   8.499  -7.438   4.508
  389   1HG   GLU  54          1HG       GLU  54   8.757  -9.742   3.068
  390   2HG   GLU  54          2HG       GLU  54   9.187 -10.355   4.653
  391    H    ALA  55           H        ALA  55  12.930  -7.758   3.816
  392    HA   ALA  55           HA       ALA  55  13.251 -10.626   3.645
  393   1HB   ALA  55          1HB       ALA  55  13.556 -10.462   1.382
  394   2HB   ALA  55          2HB       ALA  55  15.186  -9.946   1.875
  395   3HB   ALA  55          3HB       ALA  55  13.957  -8.729   1.453
  396    H    GLU  56           H        GLU  56  15.204  -7.567   3.338
  397    HA   GLU  56           HA       GLU  56  16.155  -7.701   5.931
  398   1HB   GLU  56          1HB       GLU  56  18.527  -8.394   5.489
  399   2HB   GLU  56          2HB       GLU  56  17.378  -9.701   5.291
  400   1HG   GLU  56          1HG       GLU  56  17.484  -9.591   2.896
  401   2HG   GLU  56          2HG       GLU  56  18.225  -8.003   2.915
  402    H    CYS  57           H        CYS  57  18.454  -6.327   5.958
  403    HA   CYS  57           HA       CYS  57  17.726  -3.847   4.875
  404   1HB   CYS  57          1HB       CYS  57  20.065  -3.189   5.618
  405   2HB   CYS  57          2HB       CYS  57  18.947  -3.747   6.846
  406    H    THR  58           H        THR  58  17.730  -3.502   2.670
  407    HA   THR  58           HA       THR  58  20.042  -4.549   1.172
  408    HB   THR  58           HB       THR  58  18.127  -5.694   0.338
  409    HG1  THR  58           HG1      THR  58  19.384  -4.177  -1.190
  410   1HG2  THR  58          1HG2      THR  58  16.709  -3.044   0.821
  411   2HG2  THR  58          2HG2      THR  58  16.067  -4.207  -0.364
  412   3HG2  THR  58          3HG2      THR  58  16.221  -4.673   1.347
  413    H    PHE  59           H        PHE  59  17.909  -1.772   1.854
  414    HA   PHE  59           HA       PHE  59  20.007  -0.052   0.872
  415   1HB   PHE  59          1HB       PHE  59  17.183  -0.339  -0.276
  416   2HB   PHE  59          2HB       PHE  59  18.020   1.196  -0.401
  417    HD1  PHE  59           HD1      PHE  59  20.415   1.094  -1.464
  418    HD2  PHE  59           HD2      PHE  59  17.463  -1.916  -1.951
  419    HE1  PHE  59           HE1      PHE  59  21.572   0.295  -3.544
  420    HE2  PHE  59           HE2      PHE  59  18.620  -2.714  -4.030
  421    HZ   PHE  59           HZ       PHE  59  20.661  -1.599  -4.802

  No H/Q in entry =         421
  Start of MODEL   64
    1    H    GLU   1           H        GLU   1  11.143  -9.884  22.027
    2    HA   GLU   1           HA       GLU   1  11.965 -11.536  20.361
    3   1HB   GLU   1          1HB       GLU   1  11.608 -12.042  22.810
    4   2HB   GLU   1          2HB       GLU   1   9.985 -12.583  22.432
    5   1HG   GLU   1          1HG       GLU   1  10.782 -14.625  21.867
    6   2HG   GLU   1          2HG       GLU   1  11.748 -13.907  20.593
    7    H    GLU   2           H        GLU   2   9.862 -10.175  18.919
    8    HA   GLU   2           HA       GLU   2   9.028 -12.244  17.295
    9   1HB   GLU   2          1HB       GLU   2   7.408 -12.155  19.544
   10   2HB   GLU   2          2HB       GLU   2   6.508 -11.158  18.419
   11   1HG   GLU   2          1HG       GLU   2   7.164 -13.218  16.751
   12   2HG   GLU   2          2HG       GLU   2   7.150 -14.083  18.275
   13    H    TYR   3           H        TYR   3   7.420 -11.391  15.559
   14    HA   TYR   3           HA       TYR   3   7.977  -8.529  15.202
   15   1HB   TYR   3          1HB       TYR   3   8.209  -9.124  12.915
   16   2HB   TYR   3          2HB       TYR   3   8.666 -10.650  13.646
   17    HD1  TYR   3           HD1      TYR   3   6.728 -12.377  14.035
   18    HD2  TYR   3           HD2      TYR   3   6.479  -9.062  11.342
   19    HE1  TYR   3           HE1      TYR   3   4.852 -13.537  12.769
   20    HE2  TYR   3           HE2      TYR   3   4.605 -10.233  10.085
   21    HH   TYR   3           HH       TYR   3   2.836 -12.587  11.274
   22    H    VAL   4           H        VAL   4   6.317  -7.100  14.550
   23    HA   VAL   4           HA       VAL   4   3.700  -8.063  14.002
   24    HB   VAL   4           HB       VAL   4   3.502  -8.469  16.304
   25   1HG1  VAL   4          1HG1      VAL   4   5.364  -6.234  16.556
   26   2HG1  VAL   4          2HG1      VAL   4   4.022  -6.129  17.720
   27   3HG1  VAL   4          3HG1      VAL   4   5.043  -7.586  17.667
   28   1HG2  VAL   4          1HG2      VAL   4   1.981  -6.470  15.050
   29   2HG2  VAL   4          2HG2      VAL   4   1.536  -7.424  16.486
   30   3HG2  VAL   4          3HG2      VAL   4   2.327  -5.841  16.679
   31    H    GLY   5           H        GLY   5   4.232  -6.776  12.113
   32   1HA   GLY   5          1HA       GLY   5   5.100  -4.521  11.465
   33   2HA   GLY   5          2HA       GLY   5   3.980  -3.878  12.650
   34    H    LEU   6           H        LEU   6   1.929  -3.354  11.988
   35    HA   LEU   6           HA       LEU   6   1.124  -4.402   9.367
   36   1HB   LEU   6          1HB       LEU   6  -1.226  -4.317  10.252
   37   2HB   LEU   6          2HB       LEU   6  -0.205  -5.611  10.847
   38    HG   LEU   6           HG       LEU   6  -0.463  -3.084  12.450
   39   1HD1  LEU   6          1HD1      LEU   6  -2.746  -4.259  11.654
   40   2HD1  LEU   6          2HD1      LEU   6  -2.375  -5.265  13.075
   41   3HD1  LEU   6          3HD1      LEU   6  -2.536  -3.501  13.251
   42   1HD2  LEU   6          1HD2      LEU   6   0.943  -5.452  12.784
   43   2HD2  LEU   6          2HD2      LEU   6   0.600  -4.232  14.034
   44   3HD2  LEU   6          3HD2      LEU   6  -0.472  -5.641  13.847
   45    H    SER   7           H        SER   7   0.158  -2.918   7.955
   46    HA   SER   7           HA       SER   7  -0.006  -0.944   7.041
   47   1HB   SER   7          1HB       SER   7  -1.628   0.548   8.031
   48   2HB   SER   7          2HB       SER   7  -2.110  -1.089   8.428
   49    HG   SER   7           HG       SER   7  -1.191   0.982  10.112
   50    H    ALA   8           H        ALA   8   2.536  -1.027   7.578
   51    HA   ALA   8           HA       ALA   8   3.409   1.528   7.945
   52   1HB   ALA   8          1HB       ALA   8   2.654   0.353  10.455
   53   2HB   ALA   8          2HB       ALA   8   3.383   1.948  10.150
   54   3HB   ALA   8          3HB       ALA   8   4.424   0.531  10.427
   55    H    ASN   9           H        ASN   9   4.749  -1.316   9.720
   56    HA   ASN   9           HA       ASN   9   7.225  -1.140   8.692
   57   1HB   ASN   9          1HB       ASN   9   6.616  -2.676  10.538
   58   2HB   ASN   9          2HB       ASN   9   5.654  -3.657   9.451
   59   2HD2  ASN   9          2HD2      ASN   9   6.585  -5.483   8.979
   60   1HD2  ASN   9          1HD2      ASN   9   8.268  -5.768   8.688
   61    H    GLN  10           H        GLN  10   4.374  -3.008   7.444
   62    HA   GLN  10           HA       GLN  10   5.797  -4.106   5.283
   63   1HB   GLN  10          1HB       GLN  10   3.440  -4.701   6.490
   64   2HB   GLN  10          2HB       GLN  10   2.819  -3.795   5.124
   65   1HG   GLN  10          1HG       GLN  10   2.990  -5.746   3.958
   66   2HG   GLN  10          2HG       GLN  10   4.710  -5.415   3.897
   67   2HE2  GLN  10          2HE2      GLN  10   2.225  -6.788   6.041
   68   1HE2  GLN  10          1HE2      GLN  10   3.171  -8.095   6.670
   69    H    CYS  11           H        CYS  11   4.051  -1.079   5.867
   70    HA   CYS  11           HA       CYS  11   4.437  -0.404   3.042
   71   1HB   CYS  11          1HB       CYS  11   2.608   1.230   4.712
   72   2HB   CYS  11          2HB       CYS  11   2.519   0.812   3.013
   73    H    ALA  12           H        ALA  12   6.682  -0.320   4.652
   74    HA   ALA  12           HA       ALA  12   6.890   2.512   5.412
   75   1HB   ALA  12          1HB       ALA  12   9.023   1.384   6.607
   76   2HB   ALA  12          2HB       ALA  12   7.418   1.443   7.375
   77   3HB   ALA  12          3HB       ALA  12   7.956  -0.040   6.551
   78    H    VAL  13           H        VAL  13   6.967   1.924   2.693
   79    HA   VAL  13           HA       VAL  13   9.707   1.482   1.929
   80    HB   VAL  13           HB       VAL  13   7.725   2.497  -0.017
   81   1HG1  VAL  13          1HG1      VAL  13   9.996   0.604   0.112
   82   2HG1  VAL  13          2HG1      VAL  13   8.662   0.120  -0.962
   83   3HG1  VAL  13          3HG1      VAL  13   9.472   1.686  -1.200
   84   1HG2  VAL  13          1HG2      VAL  13   7.253   0.039   1.650
   85   2HG2  VAL  13          2HG2      VAL  13   6.095   1.261   1.071
   86   3HG2  VAL  13          3HG2      VAL  13   6.761   0.059  -0.061
   87    HA   PRO  14           HA       PRO  14  10.830   5.656   1.892
   88   1HB   PRO  14          1HB       PRO  14  12.953   5.606   0.172
   89   2HB   PRO  14          2HB       PRO  14  13.070   5.125   1.853
   90   1HG   PRO  14          1HG       PRO  14  13.012   3.422  -0.563
   91   2HG   PRO  14          2HG       PRO  14  13.546   3.014   1.056
   92   1HD   PRO  14          1HD       PRO  14  11.064   2.266  -0.173
   93   2HD   PRO  14          2HD       PRO  14  11.549   1.957   1.483
   94    H    ALA  15           H        ALA  15   9.162   4.274  -0.485
   95    HA   ALA  15           HA       ALA  15   7.791   5.307  -1.942
   96   1HB   ALA  15          1HB       ALA  15   9.422   7.823  -2.067
   97   2HB   ALA  15          2HB       ALA  15   7.656   7.606  -2.114
   98   3HB   ALA  15          3HB       ALA  15   8.528   7.476  -0.567
   99    H    LYS  16           H        LYS  16  11.254   5.061  -2.058
  100    HA   LYS  16           HA       LYS  16  11.281   5.322  -4.959
  101   1HB   LYS  16          1HB       LYS  16  13.725   5.178  -4.710
  102   2HB   LYS  16          2HB       LYS  16  13.036   6.480  -3.762
  103   1HG   LYS  16          1HG       LYS  16  14.666   5.312  -2.378
  104   2HG   LYS  16          2HG       LYS  16  13.069   4.991  -1.731
  105   1HD   LYS  16          1HD       LYS  16  13.051   2.760  -2.489
  106   2HD   LYS  16          2HD       LYS  16  14.196   3.075  -3.778
  107   1HE   LYS  16          1HE       LYS  16  15.631   3.701  -1.429
  108   2HE   LYS  16          2HE       LYS  16  14.705   2.279  -0.991
  109   1HZ   LYS  16          1HZ       LYS  16  16.297   2.445  -3.451
  110   2HZ   LYS  16          2HZ       LYS  16  16.874   1.835  -2.051
  111   3HZ   LYS  16          3HZ       LYS  16  15.618   1.110  -2.801
  112    H    ASP  17           H        ASP  17  10.087   3.072  -3.046
  113    HA   ASP  17           HA       ASP  17  11.210   0.947  -4.682
  114   1HB   ASP  17          1HB       ASP  17  11.376   1.225  -1.804
  115   2HB   ASP  17          2HB       ASP  17  10.333  -0.137  -2.160
  116    H    ARG  18           H        ARG  18   8.668   2.798  -4.436
  117    HA   ARG  18           HA       ARG  18   6.613   1.018  -3.681
  118   1HB   ARG  18          1HB       ARG  18   6.292   3.532  -5.380
  119   2HB   ARG  18          2HB       ARG  18   5.103   2.811  -4.314
  120   1HG   ARG  18          1HG       ARG  18   7.756   4.015  -3.388
  121   2HG   ARG  18          2HG       ARG  18   6.213   4.844  -3.326
  122   1HD   ARG  18          1HD       ARG  18   5.412   2.711  -1.968
  123   2HD   ARG  18          2HD       ARG  18   7.125   2.435  -1.723
  124    HE   ARG  18           HE       ARG  18   7.082   4.142  -0.143
  125   1HH1  ARG  18          1HH1      ARG  18   4.535   4.751  -2.493
  126   2HH1  ARG  18          2HH1      ARG  18   3.959   6.174  -1.690
  127   1HH2  ARG  18          1HH2      ARG  18   6.323   6.019   0.917
  128   2HH2  ARG  18          2HH2      ARG  18   4.983   6.900   0.262
  129    H    VAL  19           H        VAL  19   6.108  -0.756  -4.937
  130    HA   VAL  19           HA       VAL  19   6.745  -0.794  -7.719
  131    HB   VAL  19           HB       VAL  19   5.009  -2.792  -6.304
  132   1HG1  VAL  19          1HG1      VAL  19   7.102  -2.924  -8.493
  133   2HG1  VAL  19          2HG1      VAL  19   6.406  -4.364  -7.712
  134   3HG1  VAL  19          3HG1      VAL  19   5.357  -3.249  -8.621
  135   1HG2  VAL  19          1HG2      VAL  19   7.783  -2.043  -5.607
  136   2HG2  VAL  19          2HG2      VAL  19   6.551  -2.909  -4.658
  137   3HG2  VAL  19          3HG2      VAL  19   7.515  -3.783  -5.873
  138    H    ASP  20           H        ASP  20   4.266   0.640  -5.931
  139    HA   ASP  20           HA       ASP  20   2.338   1.492  -6.435
  140   1HB   ASP  20          1HB       ASP  20   3.270   2.574  -8.343
  141   2HB   ASP  20          2HB       ASP  20   3.454   1.069  -9.222
  142    H    CYS  21           H        CYS  21   0.478   0.319  -5.947
  143    HA   CYS  21           HA       CYS  21   0.167  -2.305  -7.082
  144   1HB   CYS  21          1HB       CYS  21  -0.492  -1.137  -4.654
  145   2HB   CYS  21          2HB       CYS  21  -2.042  -1.303  -5.454
  146    H    GLY  22           H        GLY  22  -0.865   1.002  -7.610
  147   1HA   GLY  22          1HA       GLY  22  -2.219   0.355 -10.011
  148   2HA   GLY  22          2HA       GLY  22  -2.134   1.920  -9.227
  149    H    TYR  23           H        TYR  23  -3.843   2.656  -7.919
  150    HA   TYR  23           HA       TYR  23  -6.257   1.036  -8.108
  151   1HB   TYR  23          1HB       TYR  23  -4.710   1.973  -5.654
  152   2HB   TYR  23          2HB       TYR  23  -6.460   1.983  -5.550
  153    HD1  TYR  23           HD1      TYR  23  -3.500  -0.197  -6.058
  154    HD2  TYR  23           HD2      TYR  23  -7.701  -0.045  -5.266
  155    HE1  TYR  23           HE1      TYR  23  -3.486  -2.670  -5.469
  156    HE2  TYR  23           HE2      TYR  23  -7.673  -2.518  -4.679
  157    HH   TYR  23           HH       TYR  23  -5.349  -4.549  -5.550
  158    HA   PRO  24           HA       PRO  24  -7.910   4.972  -8.843
  159   1HB   PRO  24          1HB       PRO  24 -10.578   4.420  -8.637
  160   2HB   PRO  24          2HB       PRO  24  -9.639   4.087 -10.078
  161   1HG   PRO  24          1HG       PRO  24 -10.632   2.195  -8.035
  162   2HG   PRO  24          2HG       PRO  24 -10.078   1.861  -9.664
  163   1HD   PRO  24          1HD       PRO  24  -8.627   1.409  -7.231
  164   2HD   PRO  24          2HD       PRO  24  -8.031   1.184  -8.863
  165    H    HIS  25           H        HIS  25 -10.068   3.593  -6.412
  166    HA   HIS  25           HA       HIS  25  -9.827   6.102  -4.984
  167   1HB   HIS  25          1HB       HIS  25 -11.786   5.487  -3.838
  168   2HB   HIS  25          2HB       HIS  25 -12.041   5.004  -5.503
  169    HD1  HIS  25           HD1      HIS  25 -13.560   3.728  -3.039
  170    HD2  HIS  25           HD2      HIS  25 -10.209   2.083  -4.953
  171    HE1  HIS  25           HE1      HIS  25 -13.619   1.223  -2.557
  172    HE2  HIS  25           HE2      HIS  25 -11.567   0.258  -3.804
  173    H    VAL  26           H        VAL  26  -7.655   5.929  -4.198
  174    HA   VAL  26           HA       VAL  26  -7.173   3.687  -2.386
  175    HB   VAL  26           HB       VAL  26  -4.836   4.490  -2.459
  176   1HG1  VAL  26          1HG1      VAL  26  -6.166   3.902  -5.124
  177   2HG1  VAL  26          2HG1      VAL  26  -4.409   3.845  -4.841
  178   3HG1  VAL  26          3HG1      VAL  26  -5.487   2.728  -3.970
  179   1HG2  VAL  26          1HG2      VAL  26  -5.689   6.902  -3.108
  180   2HG2  VAL  26          2HG2      VAL  26  -4.108   6.312  -3.673
  181   3HG2  VAL  26          3HG2      VAL  26  -5.511   6.284  -4.768
  182    H    THR  27           H        THR  27  -6.883   3.965  -0.178
  183    HA   THR  27           HA       THR  27  -6.776   6.674   0.869
  184    HB   THR  27           HB       THR  27  -8.859   6.594   1.971
  185    HG1  THR  27           HG1      THR  27  -9.844   4.366   2.232
  186   1HG2  THR  27          1HG2      THR  27  -9.284   4.763  -0.451
  187   2HG2  THR  27          2HG2      THR  27 -10.585   5.560   0.466
  188   3HG2  THR  27          3HG2      THR  27  -9.418   6.538  -0.456
  189    HA   PRO  28           HA       PRO  28  -4.508   4.798   3.993
  190   1HB   PRO  28          1HB       PRO  28  -5.182   6.147   6.272
  191   2HB   PRO  28          2HB       PRO  28  -4.087   6.791   5.066
  192   1HG   PRO  28          1HG       PRO  28  -6.899   7.532   5.602
  193   2HG   PRO  28          2HG       PRO  28  -5.677   8.426   4.719
  194   1HD   PRO  28          1HD       PRO  28  -7.847   6.921   3.599
  195   2HD   PRO  28          2HD       PRO  28  -6.560   7.718   2.717
  196    H    LYS  29           H        LYS  29  -6.722   3.263   3.281
  197    HA   LYS  29           HA       LYS  29  -6.736   1.463   5.379
  198   1HB   LYS  29          1HB       LYS  29  -8.122   3.475   6.342
  199   2HB   LYS  29          2HB       LYS  29  -9.407   2.842   5.332
  200   1HG   LYS  29          1HG       LYS  29  -7.861   0.962   7.140
  201   2HG   LYS  29          2HG       LYS  29  -9.127   1.966   7.818
  202   1HD   LYS  29          1HD       LYS  29 -10.819   0.972   6.436
  203   2HD   LYS  29          2HD       LYS  29  -9.640   0.274   5.344
  204   1HE   LYS  29          1HE       LYS  29  -9.552  -1.620   6.589
  205   2HE   LYS  29          2HE       LYS  29  -9.070  -0.704   8.003
  206   1HZ   LYS  29          1HZ       LYS  29 -11.868  -0.723   7.185
  207   2HZ   LYS  29          2HZ       LYS  29 -11.261  -1.982   8.030
  208   3HZ   LYS  29          3HZ       LYS  29 -11.235  -0.480   8.670
  209    H    GLU  30           H        GLU  30  -8.872   2.937   2.846
  210    HA   GLU  30           HA       GLU  30  -9.966   0.490   2.092
  211   1HB   GLU  30          1HB       GLU  30 -11.053   2.623   1.568
  212   2HB   GLU  30          2HB       GLU  30  -9.694   3.125   0.583
  213   1HG   GLU  30          1HG       GLU  30 -11.362   0.636  -0.006
  214   2HG   GLU  30          2HG       GLU  30 -11.691   2.204  -0.715
  215    H    CYS  31           H        CYS  31  -7.203   2.445   0.812
  216    HA   CYS  31           HA       CYS  31  -6.649   0.787  -1.349
  217   1HB   CYS  31          1HB       CYS  31  -5.617   2.809  -1.537
  218   2HB   CYS  31          2HB       CYS  31  -5.197   2.894   0.162
  219    H    ASN  32           H        ASN  32  -5.824   0.690   2.131
  220    HA   ASN  32           HA       ASN  32  -3.996  -1.477   1.710
  221   1HB   ASN  32          1HB       ASN  32  -3.329  -0.033   3.491
  222   2HB   ASN  32          2HB       ASN  32  -4.962   0.121   4.108
  223   2HD2  ASN  32          2HD2      ASN  32  -2.194  -2.014   3.762
  224   1HD2  ASN  32          1HD2      ASN  32  -2.549  -3.084   5.076
  225    H    ASN  33           H        ASN  33  -7.349  -1.060   1.859
  226    HA   ASN  33           HA       ASN  33  -7.811  -3.489   3.357
  227   1HB   ASN  33          1HB       ASN  33  -9.268  -1.528   3.837
  228   2HB   ASN  33          2HB       ASN  33  -9.732  -1.428   2.150
  229   2HD2  ASN  33          2HD2      ASN  33 -11.663  -1.596   3.989
  230   1HD2  ASN  33          1HD2      ASN  33 -12.451  -3.139   3.973
  231    H    ARG  34           H        ARG  34  -8.178  -1.950   0.115
  232    HA   ARG  34           HA       ARG  34  -9.660  -3.895  -1.098
  233   1HB   ARG  34          1HB       ARG  34  -8.552  -1.519  -1.884
  234   2HB   ARG  34          2HB       ARG  34  -7.470  -2.619  -2.713
  235   1HG   ARG  34          1HG       ARG  34  -9.478  -1.934  -4.090
  236   2HG   ARG  34          2HG       ARG  34  -9.303  -3.669  -3.911
  237   1HD   ARG  34          1HD       ARG  34 -10.930  -2.366  -1.775
  238   2HD   ARG  34          2HD       ARG  34 -11.628  -2.270  -3.380
  239    HE   ARG  34           HE       ARG  34 -10.739  -4.944  -3.023
  240   1HH1  ARG  34          1HH1      ARG  34 -13.133  -2.758  -1.653
  241   2HH1  ARG  34          2HH1      ARG  34 -14.225  -4.028  -1.208
  242   1HH2  ARG  34          1HH2      ARG  34 -12.179  -6.619  -2.436
  243   2HH2  ARG  34          2HH2      ARG  34 -13.679  -6.238  -1.657
  244    H    GLY  35           H        GLY  35  -6.302  -3.891  -0.060
  245   1HA   GLY  35          1HA       GLY  35  -5.849  -6.433  -1.508
  246   2HA   GLY  35          2HA       GLY  35  -5.392  -6.171   0.163
  247    H    CYS  36           H        CYS  36  -3.903  -4.182   0.572
  248    HA   CYS  36           HA       CYS  36  -1.540  -4.540  -0.698
  249   1HB   CYS  36          1HB       CYS  36  -3.238  -3.235  -2.493
  250   2HB   CYS  36          2HB       CYS  36  -2.223  -1.960  -1.847
  251    H    CYS  37           H        CYS  37  -0.716  -1.665  -0.751
  252    HA   CYS  37           HA       CYS  37  -1.281  -0.980   2.040
  253   1HB   CYS  37          1HB       CYS  37   1.330  -1.281   0.637
  254   2HB   CYS  37          2HB       CYS  37   1.174   0.040   1.778
  255    H    PHE  38           H        PHE  38  -1.211   1.374   2.466
  256    HA   PHE  38           HA       PHE  38  -1.545   2.925  -0.006
  257   1HB   PHE  38          1HB       PHE  38  -3.659   2.620   1.262
  258   2HB   PHE  38          2HB       PHE  38  -2.861   3.019   2.770
  259    HD1  PHE  38           HD1      PHE  38  -4.184   4.386  -0.371
  260    HD2  PHE  38           HD2      PHE  38  -2.468   5.308   3.399
  261    HE1  PHE  38           HE1      PHE  38  -4.842   6.791  -0.659
  262    HE2  PHE  38           HE2      PHE  38  -3.126   7.714   3.110
  263    HZ   PHE  38           HZ       PHE  38  -4.305   8.426   1.084
  264    H    ASP  39           H        ASP  39  -1.360   5.439   0.609
  265    HA   ASP  39           HA       ASP  39   0.268   6.155   2.717
  266   1HB   ASP  39          1HB       ASP  39   2.092   4.966   1.663
  267   2HB   ASP  39          2HB       ASP  39   1.683   5.597   0.080
  268    H    SER  40           H        SER  40   0.453   8.494   2.737
  269    HA   SER  40           HA       SER  40  -0.438   9.806   0.300
  270   1HB   SER  40          1HB       SER  40  -1.914  11.288   1.582
  271   2HB   SER  40          2HB       SER  40  -2.380   9.618   1.839
  272    HG   SER  40           HG       SER  40  -2.243  11.012   3.808
  273    H    ARG  41           H        ARG  41   2.145   9.309   2.040
  274    HA   ARG  41           HA       ARG  41   2.861  11.684   3.208
  275   1HB   ARG  41          1HB       ARG  41   4.024   9.226   2.952
  276   2HB   ARG  41          2HB       ARG  41   4.993  10.107   1.787
  277   1HG   ARG  41          1HG       ARG  41   4.586  11.566   4.344
  278   2HG   ARG  41          2HG       ARG  41   5.445  10.050   4.530
  279   1HD   ARG  41          1HD       ARG  41   7.184  10.720   2.998
  280   2HD   ARG  41          2HD       ARG  41   6.237  12.059   2.381
  281    HE   ARG  41           HE       ARG  41   7.922  12.112   4.712
  282   1HH1  ARG  41          1HH1      ARG  41   4.836  13.330   3.541
  283   2HH1  ARG  41          2HH1      ARG  41   4.851  14.725   4.568
  284   1HH2  ARG  41          1HH2      ARG  41   7.943  13.952   6.068
  285   2HH2  ARG  41          2HH2      ARG  41   6.630  15.081   6.015
  286    H    ILE  42           H        ILE  42   3.470  10.432  -0.149
  287    HA   ILE  42           HA       ILE  42   3.634  13.189  -1.057
  288    HB   ILE  42           HB       ILE  42   5.655  12.043  -2.498
  289   1HG1  ILE  42          1HG1      ILE  42   7.213  11.063  -0.838
  290   2HG1  ILE  42          2HG1      ILE  42   5.938  11.079   0.364
  291   1HG2  ILE  42          1HG2      ILE  42   5.313  14.305  -1.157
  292   2HG2  ILE  42          2HG2      ILE  42   6.367  13.482   0.019
  293   3HG2  ILE  42          3HG2      ILE  42   6.927  13.738  -1.651
  294   1HD1  ILE  42          1HD1      ILE  42   5.105   9.819  -2.182
  295   2HD1  ILE  42          2HD1      ILE  42   6.461   8.987  -1.383
  296   3HD1  ILE  42          3HD1      ILE  42   4.928   9.230  -0.511
  297    HA   PRO  43           HA       PRO  43   1.221  11.333  -4.139
  298   1HB   PRO  43          1HB       PRO  43   0.934  13.484  -5.800
  299   2HB   PRO  43          2HB       PRO  43  -0.055  13.235  -4.375
  300   1HG   PRO  43          1HG       PRO  43   2.174  15.136  -4.776
  301   2HG   PRO  43          2HG       PRO  43   0.920  15.156  -3.552
  302   1HD   PRO  43          1HD       PRO  43   3.648  14.340  -3.202
  303   2HD   PRO  43          2HD       PRO  43   2.366  14.252  -2.010
  304    H    GLY  44           H        GLY  44   4.129  13.060  -4.993
  305   1HA   GLY  44          1HA       GLY  44   5.800  12.379  -6.368
  306   2HA   GLY  44          2HA       GLY  44   4.531  12.461  -7.574
  307    H    VAL  45           H        VAL  45   4.841  10.152  -4.805
  308    HA   VAL  45           HA       VAL  45   5.475   8.028  -6.692
  309    HB   VAL  45           HB       VAL  45   6.344   6.886  -4.928
  310   1HG1  VAL  45          1HG1      VAL  45   7.128   9.459  -5.096
  311   2HG1  VAL  45          2HG1      VAL  45   6.586   9.428  -3.400
  312   3HG1  VAL  45          3HG1      VAL  45   7.842   8.294  -3.954
  313   1HG2  VAL  45          1HG2      VAL  45   4.334   8.298  -3.151
  314   2HG2  VAL  45          2HG2      VAL  45   4.378   6.578  -3.606
  315   3HG2  VAL  45          3HG2      VAL  45   5.629   7.246  -2.531
  316    HA   PRO  46           HA       PRO  46   1.545   6.232  -6.495
  317   1HB   PRO  46          1HB       PRO  46   1.979   3.549  -6.216
  318   2HB   PRO  46          2HB       PRO  46   2.163   4.395  -7.739
  319   1HG   PRO  46          1HG       PRO  46   4.259   3.391  -5.911
  320   2HG   PRO  46          2HG       PRO  46   4.399   3.845  -7.598
  321   1HD   PRO  46          1HD       PRO  46   5.251   5.381  -5.330
  322   2HD   PRO  46          2HD       PRO  46   5.285   5.883  -7.009
  323    H    TRP  47           H        TRP  47   0.632   7.280  -4.721
  324    HA   TRP  47           HA       TRP  47   0.981   6.899  -2.152
  325   1HB   TRP  47          1HB       TRP  47  -1.494   7.229  -3.772
  326   2HB   TRP  47          2HB       TRP  47  -1.688   6.833  -2.075
  327    HD1  TRP  47           HD1      TRP  47   1.244   9.107  -3.074
  328    HE1  TRP  47           HE1      TRP  47   0.901  11.568  -2.185
  329    HE3  TRP  47           HE3      TRP  47  -3.542   8.431  -1.494
  330    HZ2  TRP  47           HZ2      TRP  47  -1.284  12.925  -0.949
  331    HZ3  TRP  47           HZ3      TRP  47  -4.708  10.375  -0.457
  332    HH2  TRP  47           HH2      TRP  47  -3.656  12.563  -0.175
  333    H    CYS  48           H        CYS  48  -1.088   4.675  -4.162
  334    HA   CYS  48           HA       CYS  48  -0.992   2.736  -2.020
  335   1HB   CYS  48          1HB       CYS  48  -3.050   3.362  -3.463
  336   2HB   CYS  48          2HB       CYS  48  -2.327   2.336  -4.686
  337    H    PHE  49           H        PHE  49   0.703   1.304  -1.941
  338    HA   PHE  49           HA       PHE  49   1.732   0.311  -4.485
  339   1HB   PHE  49          1HB       PHE  49   4.055   0.534  -3.321
  340   2HB   PHE  49          2HB       PHE  49   3.324   2.037  -3.848
  341    HD1  PHE  49           HD1      PHE  49   3.581  -0.156  -0.846
  342    HD2  PHE  49           HD2      PHE  49   3.101   3.786  -2.340
  343    HE1  PHE  49           HE1      PHE  49   3.761   0.750   1.488
  344    HE2  PHE  49           HE2      PHE  49   3.281   4.693  -0.006
  345    HZ   PHE  49           HZ       PHE  49   3.609   3.164   1.880
  346    H    LYS  50           H        LYS  50   3.208  -1.662  -4.098
  347    HA   LYS  50           HA       LYS  50   1.781  -3.481  -2.474
  348   1HB   LYS  50          1HB       LYS  50   4.409  -3.745  -3.964
  349   2HB   LYS  50          2HB       LYS  50   3.558  -5.074  -3.203
  350   1HG   LYS  50          1HG       LYS  50   1.504  -4.042  -4.664
  351   2HG   LYS  50          2HG       LYS  50   2.841  -3.518  -5.670
  352   1HD   LYS  50          1HD       LYS  50   3.462  -6.201  -5.006
  353   2HD   LYS  50          2HD       LYS  50   1.737  -6.213  -5.312
  354   1HE   LYS  50          1HE       LYS  50   2.837  -4.584  -7.366
  355   2HE   LYS  50          2HE       LYS  50   3.943  -5.935  -7.216
  356   1HZ   LYS  50          1HZ       LYS  50   1.220  -6.735  -7.121
  357   2HZ   LYS  50          2HZ       LYS  50   1.594  -5.978  -8.519
  358   3HZ   LYS  50          3HZ       LYS  50   2.435  -7.298  -8.054
  359    HA   PRO  51           HA       PRO  51   4.007  -3.288   1.218
  360   1HB   PRO  51          1HB       PRO  51   4.086  -5.881   2.080
  361   2HB   PRO  51          2HB       PRO  51   2.669  -4.861   2.238
  362   1HG   PRO  51          1HG       PRO  51   3.162  -7.067   0.332
  363   2HG   PRO  51          2HG       PRO  51   1.638  -6.332   0.791
  364   1HD   PRO  51          1HD       PRO  51   3.091  -5.893  -1.643
  365   2HD   PRO  51          2HD       PRO  51   1.629  -5.073  -1.133
  366    H    LEU  52           H        LEU  52   6.036  -2.719   1.650
  367    HA   LEU  52           HA       LEU  52   8.131  -3.197   0.127
  368   1HB   LEU  52          1HB       LEU  52   8.255  -1.763   2.021
  369   2HB   LEU  52          2HB       LEU  52   8.019  -3.094   3.137
  370    HG   LEU  52           HG       LEU  52  10.448  -2.757   1.357
  371   1HD1  LEU  52          1HD1      LEU  52   9.818  -1.191   3.523
  372   2HD1  LEU  52          2HD1      LEU  52  10.813  -2.474   4.254
  373   3HD1  LEU  52          3HD1      LEU  52  11.459  -1.505   2.908
  374   1HD2  LEU  52          1HD2      LEU  52   9.488  -4.930   3.068
  375   2HD2  LEU  52          2HD2      LEU  52  10.737  -4.926   1.801
  376   3HD2  LEU  52          3HD2      LEU  52  11.144  -4.403   3.453
  377    H    GLN  53           H        GLN  53   9.500  -4.823  -0.495
  378    HA   GLN  53           HA       GLN  53   8.661  -7.443   0.041
  379   1HB   GLN  53          1HB       GLN  53  10.728  -6.095  -1.606
  380   2HB   GLN  53          2HB       GLN  53  11.186  -7.700  -1.071
  381   1HG   GLN  53          1HG       GLN  53   9.925  -8.526  -2.768
  382   2HG   GLN  53          2HG       GLN  53   8.509  -8.021  -1.867
  383   2HE2  GLN  53          2HE2      GLN  53   8.471  -5.371  -1.970
  384   1HE2  GLN  53          1HE2      GLN  53   8.354  -4.767  -3.589
  385    H    GLU  54           H        GLU  54   8.781  -7.146   2.504
  386    HA   GLU  54           HA       GLU  54  10.952  -6.724   3.960
  387   1HB   GLU  54          1HB       GLU  54   9.879  -7.866   5.709
  388   2HB   GLU  54          2HB       GLU  54   8.546  -7.490   4.635
  389   1HG   GLU  54          1HG       GLU  54  10.043 -10.150   4.767
  390   2HG   GLU  54          2HG       GLU  54   8.430  -9.849   5.382
  391    H    ALA  55           H        ALA  55  13.005  -7.526   4.087
  392    HA   ALA  55           HA       ALA  55  13.496 -10.323   3.870
  393   1HB   ALA  55          1HB       ALA  55  14.332 -10.504   1.762
  394   2HB   ALA  55          2HB       ALA  55  13.309  -9.084   1.437
  395   3HB   ALA  55          3HB       ALA  55  15.040  -8.871   1.794
  396    H    GLU  56           H        GLU  56  15.265  -7.220   3.168
  397    HA   GLU  56           HA       GLU  56  17.574  -7.878   4.385
  398   1HB   GLU  56          1HB       GLU  56  16.144  -5.299   3.846
  399   2HB   GLU  56          2HB       GLU  56  17.510  -5.221   4.940
  400   1HG   GLU  56          1HG       GLU  56  19.010  -5.505   3.250
  401   2HG   GLU  56          2HG       GLU  56  18.137  -6.878   2.600
  402    H    CYS  57           H        CYS  57  14.861  -6.008   5.940
  403    HA   CYS  57           HA       CYS  57  16.037  -6.161   8.491
  404   1HB   CYS  57          1HB       CYS  57  13.542  -5.138   7.312
  405   2HB   CYS  57          2HB       CYS  57  13.380  -5.691   8.967
  406    H    THR  58           H        THR  58  15.848  -7.758  10.068
  407    HA   THR  58           HA       THR  58  15.011 -10.315   9.354
  408    HB   THR  58           HB       THR  58  15.529  -8.926  12.030
  409    HG1  THR  58           HG1      THR  58  17.588  -9.606  11.479
  410   1HG2  THR  58          1HG2      THR  58  14.122 -11.144  12.133
  411   2HG2  THR  58          2HG2      THR  58  15.598 -11.929  11.521
  412   3HG2  THR  58          3HG2      THR  58  15.626 -11.073  13.081
  413    H    PHE  59           H        PHE  59  13.252 -11.640  10.091
  414    HA   PHE  59           HA       PHE  59  10.810 -10.790   9.529
  415   1HB   PHE  59          1HB       PHE  59  12.072 -12.971  10.867
  416   2HB   PHE  59          2HB       PHE  59  10.837 -12.447  11.995
  417    HD1  PHE  59           HD1      PHE  59   8.466 -11.983  10.794
  418    HD2  PHE  59           HD2      PHE  59  11.479 -14.607   9.364
  419    HE1  PHE  59           HE1      PHE  59   6.738 -13.258   9.494
  420    HE2  PHE  59           HE2      PHE  59   9.751 -15.882   8.065
  421    HZ   PHE  59           HZ       PHE  59   7.401 -15.193   8.145

  No H/Q in entry =         421
  Start of MODEL   65
    1    H    GLU   1           H        GLU   1   4.387  -9.776  19.752
    2    HA   GLU   1           HA       GLU   1   6.452 -11.128  20.361
    3   1HB   GLU   1          1HB       GLU   1   3.695 -11.630  20.580
    4   2HB   GLU   1          2HB       GLU   1   4.339 -13.127  19.936
    5   1HG   GLU   1          1HG       GLU   1   5.465 -11.691  22.386
    6   2HG   GLU   1          2HG       GLU   1   4.328 -13.023  22.464
    7    H    GLU   2           H        GLU   2   4.346 -12.522  17.732
    8    HA   GLU   2           HA       GLU   2   6.814 -13.461  16.504
    9   1HB   GLU   2          1HB       GLU   2   4.347 -15.024  17.235
   10   2HB   GLU   2          2HB       GLU   2   5.179 -15.457  15.755
   11   1HG   GLU   2          1HG       GLU   2   7.095 -16.184  16.867
   12   2HG   GLU   2          2HG       GLU   2   6.890 -15.057  18.194
   13    H    TYR   3           H        TYR   3   7.011 -12.804  14.401
   14    HA   TYR   3           HA       TYR   3   6.506 -11.827  12.472
   15   1HB   TYR   3          1HB       TYR   3   5.471 -13.979  11.965
   16   2HB   TYR   3          2HB       TYR   3   4.150 -13.688  13.078
   17    HD1  TYR   3           HD1      TYR   3   5.604 -12.047  10.021
   18    HD2  TYR   3           HD2      TYR   3   2.085 -13.283  12.118
   19    HE1  TYR   3           HE1      TYR   3   4.159 -11.218   8.100
   20    HE2  TYR   3           HE2      TYR   3   0.652 -12.449  10.190
   21    HH   TYR   3           HH       TYR   3   0.711 -11.845   8.037
   22    H    VAL   4           H        VAL   4   6.375  -9.652  13.272
   23    HA   VAL   4           HA       VAL   4   3.644  -8.631  13.162
   24    HB   VAL   4           HB       VAL   4   5.597  -8.353  15.421
   25   1HG1  VAL   4          1HG1      VAL   4   5.150  -6.055  14.695
   26   2HG1  VAL   4          2HG1      VAL   4   3.398  -6.366  14.751
   27   3HG1  VAL   4          3HG1      VAL   4   4.356  -6.396  16.252
   28   1HG2  VAL   4          1HG2      VAL   4   3.780 -10.020  15.565
   29   2HG2  VAL   4          2HG2      VAL   4   3.616  -8.741  16.793
   30   3HG2  VAL   4          3HG2      VAL   4   2.583  -8.721  15.343
   31    H    GLY   5           H        GLY   5   3.778  -7.480  11.286
   32   1HA   GLY   5          1HA       GLY   5   5.678  -6.523   9.818
   33   2HA   GLY   5          2HA       GLY   5   5.872  -5.417  11.163
   34    H    LEU   6           H        LEU   6   2.753  -5.823  11.605
   35    HA   LEU   6           HA       LEU   6   1.776  -4.334   9.312
   36   1HB   LEU   6          1HB       LEU   6  -0.418  -4.610  10.600
   37   2HB   LEU   6          2HB       LEU   6   0.306  -6.014   9.840
   38    HG   LEU   6           HG       LEU   6   1.046  -5.557  12.679
   39   1HD1  LEU   6          1HD1      LEU   6  -1.765  -6.312  11.849
   40   2HD1  LEU   6          2HD1      LEU   6  -1.084  -6.614  13.465
   41   3HD1  LEU   6          3HD1      LEU   6  -1.256  -4.946  12.870
   42   1HD2  LEU   6          1HD2      LEU   6   0.950  -7.721  10.756
   43   2HD2  LEU   6          2HD2      LEU   6   1.816  -7.606  12.307
   44   3HD2  LEU   6          3HD2      LEU   6   0.127  -8.166  12.271
   45    H    SER   7           H        SER   7   2.271  -2.196   9.329
   46    HA   SER   7           HA       SER   7   1.091  -0.392  10.808
   47   1HB   SER   7          1HB       SER   7   3.103   0.213  12.479
   48   2HB   SER   7          2HB       SER   7   1.794  -0.851  12.954
   49    HG   SER   7           HG       SER   7   4.503  -1.458  12.364
   50    H    ALA   8           H        ALA   8   4.045  -1.549   9.286
   51    HA   ALA   8           HA       ALA   8   4.258   0.599   7.568
   52   1HB   ALA   8          1HB       ALA   8   5.119   1.347  10.122
   53   2HB   ALA   8          2HB       ALA   8   5.500   2.176   8.594
   54   3HB   ALA   8          3HB       ALA   8   6.625   0.964   9.252
   55    H    ASN   9           H        ASN   9   5.965  -1.891   9.524
   56    HA   ASN   9           HA       ASN   9   8.141  -2.383   8.129
   57   1HB   ASN   9          1HB       ASN   9   6.445  -3.876   9.869
   58   2HB   ASN   9          2HB       ASN   9   6.721  -4.928   8.495
   59   2HD2  ASN   9          2HD2      ASN   9   7.742  -6.046  10.449
   60   1HD2  ASN   9          1HD2      ASN   9   9.441  -5.808  10.686
   61    H    GLN  10           H        GLN  10   4.780  -2.852   7.079
   62    HA   GLN  10           HA       GLN  10   5.647  -4.323   4.747
   63   1HB   GLN  10          1HB       GLN  10   3.050  -4.271   4.330
   64   2HB   GLN  10          2HB       GLN  10   3.702  -5.317   5.575
   65   1HG   GLN  10          1HG       GLN  10   3.017  -3.873   7.336
   66   2HG   GLN  10          2HG       GLN  10   2.882  -2.483   6.277
   67   2HE2  GLN  10          2HE2      GLN  10   1.600  -5.790   6.615
   68   1HE2  GLN  10          1HE2      GLN  10  -0.051  -5.426   6.237
   69    H    CYS  11           H        CYS  11   4.209  -1.187   5.750
   70    HA   CYS  11           HA       CYS  11   4.530  -0.294   2.978
   71   1HB   CYS  11          1HB       CYS  11   2.882   1.379   4.738
   72   2HB   CYS  11          2HB       CYS  11   2.624   0.880   3.078
   73    H    ALA  12           H        ALA  12   6.821  -0.469   4.540
   74    HA   ALA  12           HA       ALA  12   7.203   2.270   5.531
   75   1HB   ALA  12          1HB       ALA  12   9.295   1.036   6.576
   76   2HB   ALA  12          2HB       ALA  12   7.692   0.886   7.336
   77   3HB   ALA  12          3HB       ALA  12   8.312  -0.423   6.301
   78    H    VAL  13           H        VAL  13   7.129   1.836   2.739
   79    HA   VAL  13           HA       VAL  13   9.856   1.473   1.866
   80    HB   VAL  13           HB       VAL  13   7.807   2.498   0.006
   81   1HG1  VAL  13          1HG1      VAL  13  10.106   0.646   0.035
   82   2HG1  VAL  13          2HG1      VAL  13   8.746   0.128  -0.990
   83   3HG1  VAL  13          3HG1      VAL  13   9.506   1.716  -1.254
   84   1HG2  VAL  13          1HG2      VAL  13   7.371   0.030   1.657
   85   2HG2  VAL  13          2HG2      VAL  13   6.197   1.228   1.061
   86   3HG2  VAL  13          3HG2      VAL  13   6.886   0.025  -0.056
   87    HA   PRO  14           HA       PRO  14  10.845   5.681   1.961
   88   1HB   PRO  14          1HB       PRO  14  12.940   5.753   0.208
   89   2HB   PRO  14          2HB       PRO  14  13.100   5.223   1.871
   90   1HG   PRO  14          1HG       PRO  14  13.055   3.595  -0.597
   91   2HG   PRO  14          2HG       PRO  14  13.628   3.154   0.999
   92   1HD   PRO  14          1HD       PRO  14  11.151   2.366  -0.213
   93   2HD   PRO  14          2HD       PRO  14  11.673   2.021   1.424
   94    H    ALA  15           H        ALA  15   9.159   4.333  -0.411
   95    HA   ALA  15           HA       ALA  15   7.745   5.355  -1.827
   96   1HB   ALA  15          1HB       ALA  15   8.676   7.549  -0.408
   97   2HB   ALA  15          2HB       ALA  15   7.415   7.586  -1.664
   98   3HB   ALA  15          3HB       ALA  15   9.105   7.953  -2.088
   99    H    LYS  16           H        LYS  16  11.199   5.199  -1.993
  100    HA   LYS  16           HA       LYS  16  11.184   5.592  -4.882
  101   1HB   LYS  16          1HB       LYS  16  13.633   5.534  -4.669
  102   2HB   LYS  16          2HB       LYS  16  12.910   6.769  -3.658
  103   1HG   LYS  16          1HG       LYS  16  14.603   5.607  -2.345
  104   2HG   LYS  16          2HG       LYS  16  13.030   5.196  -1.693
  105   1HD   LYS  16          1HD       LYS  16  13.094   2.999  -2.524
  106   2HD   LYS  16          2HD       LYS  16  14.176   3.411  -3.839
  107   1HE   LYS  16          1HE       LYS  16  15.657   4.006  -1.500
  108   2HE   LYS  16          2HE       LYS  16  14.823   2.513  -1.119
  109   1HZ   LYS  16          1HZ       LYS  16  16.422   2.956  -3.545
  110   2HZ   LYS  16          2HZ       LYS  16  16.929   2.142  -2.223
  111   3HZ   LYS  16          3HZ       LYS  16  15.697   1.555  -3.120
  112    H    ASP  17           H        ASP  17  10.140   3.220  -2.996
  113    HA   ASP  17           HA       ASP  17  11.299   1.205  -4.744
  114   1HB   ASP  17          1HB       ASP  17  11.548   1.391  -1.876
  115   2HB   ASP  17          2HB       ASP  17  10.506   0.025  -2.224
  116    H    ARG  18           H        ARG  18   8.698   2.935  -4.429
  117    HA   ARG  18           HA       ARG  18   6.719   1.078  -3.663
  118   1HB   ARG  18          1HB       ARG  18   6.304   3.594  -5.342
  119   2HB   ARG  18          2HB       ARG  18   5.136   2.817  -4.292
  120   1HG   ARG  18          1HG       ARG  18   7.744   4.081  -3.325
  121   2HG   ARG  18          2HG       ARG  18   6.185   4.882  -3.284
  122   1HD   ARG  18          1HD       ARG  18   5.393   2.738  -1.948
  123   2HD   ARG  18          2HD       ARG  18   7.105   2.468  -1.688
  124    HE   ARG  18           HE       ARG  18   7.030   4.151  -0.085
  125   1HH1  ARG  18          1HH1      ARG  18   4.535   4.799  -2.480
  126   2HH1  ARG  18          2HH1      ARG  18   3.951   6.217  -1.675
  127   1HH2  ARG  18          1HH2      ARG  18   6.260   6.022   0.977
  128   2HH2  ARG  18          2HH2      ARG  18   4.939   6.918   0.304
  129    H    VAL  19           H        VAL  19   6.084  -0.650  -4.914
  130    HA   VAL  19           HA       VAL  19   6.745  -0.682  -7.710
  131    HB   VAL  19           HB       VAL  19   5.093  -2.737  -6.278
  132   1HG1  VAL  19          1HG1      VAL  19   6.166  -2.569  -8.831
  133   2HG1  VAL  19          2HG1      VAL  19   7.324  -3.605  -7.963
  134   3HG1  VAL  19          3HG1      VAL  19   5.602  -4.051  -8.022
  135   1HG2  VAL  19          1HG2      VAL  19   7.968  -2.042  -5.772
  136   2HG2  VAL  19          2HG2      VAL  19   6.709  -2.589  -4.639
  137   3HG2  VAL  19          3HG2      VAL  19   7.471  -3.751  -5.751
  138    H    ASP  20           H        ASP  20   4.257   0.665  -5.865
  139    HA   ASP  20           HA       ASP  20   2.299   1.469  -6.330
  140   1HB   ASP  20          1HB       ASP  20   3.161   2.580  -8.254
  141   2HB   ASP  20          2HB       ASP  20   3.370   1.083  -9.140
  142    H    CYS  21           H        CYS  21   0.452   0.276  -5.844
  143    HA   CYS  21           HA       CYS  21   0.205  -2.373  -6.937
  144   1HB   CYS  21          1HB       CYS  21  -0.458  -1.218  -4.523
  145   2HB   CYS  21          2HB       CYS  21  -2.016  -1.355  -5.314
  146    H    GLY  22           H        GLY  22  -0.836   0.888  -7.591
  147   1HA   GLY  22          1HA       GLY  22  -2.211   0.149  -9.949
  148   2HA   GLY  22          2HA       GLY  22  -2.123   1.743  -9.227
  149    H    TYR  23           H        TYR  23  -3.742   2.445  -7.710
  150    HA   TYR  23           HA       TYR  23  -6.185   0.840  -7.890
  151   1HB   TYR  23          1HB       TYR  23  -4.606   1.902  -5.508
  152   2HB   TYR  23          2HB       TYR  23  -6.354   1.897  -5.375
  153    HD1  TYR  23           HD1      TYR  23  -7.541  -0.395  -5.910
  154    HD2  TYR  23           HD2      TYR  23  -3.401  -0.004  -4.903
  155    HE1  TYR  23           HE1      TYR  23  -7.473  -2.839  -5.210
  156    HE2  TYR  23           HE2      TYR  23  -3.347  -2.449  -4.207
  157    HH   TYR  23           HH       TYR  23  -4.896  -4.134  -3.438
  158    HA   PRO  24           HA       PRO  24  -7.891   4.724  -8.765
  159   1HB   PRO  24          1HB       PRO  24 -10.549   4.170  -8.452
  160   2HB   PRO  24          2HB       PRO  24  -9.650   3.768  -9.902
  161   1HG   PRO  24          1HG       PRO  24 -10.571   1.979  -7.736
  162   2HG   PRO  24          2HG       PRO  24 -10.063   1.564  -9.361
  163   1HD   PRO  24          1HD       PRO  24  -8.539   1.245  -6.952
  164   2HD   PRO  24          2HD       PRO  24  -7.990   0.939  -8.588
  165    H    HIS  25           H        HIS  25 -10.182   3.622  -6.344
  166    HA   HIS  25           HA       HIS  25  -9.815   6.143  -5.007
  167   1HB   HIS  25          1HB       HIS  25 -11.746   5.542  -3.729
  168   2HB   HIS  25          2HB       HIS  25 -12.058   5.174  -5.414
  169    HD1  HIS  25           HD1      HIS  25 -13.819   3.748  -3.462
  170    HD2  HIS  25           HD2      HIS  25 -10.091   2.214  -4.624
  171    HE1  HIS  25           HE1      HIS  25 -13.905   1.238  -3.006
  172    HE2  HIS  25           HE2      HIS  25 -11.607   0.343  -3.791
  173    H    VAL  26           H        VAL  26  -7.585   5.882  -4.314
  174    HA   VAL  26           HA       VAL  26  -7.111   3.746  -2.401
  175    HB   VAL  26           HB       VAL  26  -4.789   4.634  -2.466
  176   1HG1  VAL  26          1HG1      VAL  26  -6.098   3.859  -5.091
  177   2HG1  VAL  26          2HG1      VAL  26  -4.338   3.913  -4.833
  178   3HG1  VAL  26          3HG1      VAL  26  -5.341   2.783  -3.892
  179   1HG2  VAL  26          1HG2      VAL  26  -5.667   6.985  -3.190
  180   2HG2  VAL  26          2HG2      VAL  26  -4.111   6.396  -3.822
  181   3HG2  VAL  26          3HG2      VAL  26  -5.571   6.316  -4.837
  182    H    THR  27           H        THR  27  -6.819   4.059  -0.195
  183    HA   THR  27           HA       THR  27  -6.689   6.749   0.847
  184    HB   THR  27           HB       THR  27  -8.820   6.779   1.880
  185    HG1  THR  27           HG1      THR  27  -8.436   3.925   1.487
  186   1HG2  THR  27          1HG2      THR  27  -9.257   5.060  -0.620
  187   2HG2  THR  27          2HG2      THR  27 -10.531   5.947   0.252
  188   3HG2  THR  27          3HG2      THR  27  -9.236   6.839  -0.583
  189    HA   PRO  28           HA       PRO  28  -4.741   4.763   4.120
  190   1HB   PRO  28          1HB       PRO  28  -5.564   6.060   6.381
  191   2HB   PRO  28          2HB       PRO  28  -4.369   6.717   5.280
  192   1HG   PRO  28          1HG       PRO  28  -7.200   7.496   5.623
  193   2HG   PRO  28          2HG       PRO  28  -5.899   8.391   4.862
  194   1HD   PRO  28          1HD       PRO  28  -8.003   6.961   3.536
  195   2HD   PRO  28          2HD       PRO  28  -6.638   7.758   2.779
  196    H    LYS  29           H        LYS  29  -7.032   3.374   3.199
  197    HA   LYS  29           HA       LYS  29  -7.200   1.472   5.216
  198   1HB   LYS  29          1HB       LYS  29  -8.576   3.492   6.177
  199   2HB   LYS  29          2HB       LYS  29  -9.817   2.944   5.069
  200   1HG   LYS  29          1HG       LYS  29  -8.465   0.883   6.812
  201   2HG   LYS  29          2HG       LYS  29  -9.626   1.960   7.562
  202   1HD   LYS  29          1HD       LYS  29 -10.731   1.010   5.054
  203   2HD   LYS  29          2HD       LYS  29 -10.152  -0.369   5.967
  204   1HE   LYS  29          1HE       LYS  29 -11.758   1.735   7.425
  205   2HE   LYS  29          2HE       LYS  29 -12.610   0.628   6.365
  206   1HZ   LYS  29          1HZ       LYS  29 -11.570  -1.195   7.577
  207   2HZ   LYS  29          2HZ       LYS  29 -10.855  -0.137   8.595
  208   3HZ   LYS  29          3HZ       LYS  29 -12.483  -0.261   8.558
  209    H    GLU  30           H        GLU  30  -9.206   3.104   2.667
  210    HA   GLU  30           HA       GLU  30 -10.298   0.728   1.739
  211   1HB   GLU  30          1HB       GLU  30 -11.240   2.980   1.279
  212   2HB   GLU  30          2HB       GLU  30  -9.855   3.371   0.279
  213   1HG   GLU  30          1HG       GLU  30 -10.704   2.247  -1.510
  214   2HG   GLU  30          2HG       GLU  30 -11.050   0.823  -0.549
  215    H    CYS  31           H        CYS  31  -7.262   2.464   1.004
  216    HA   CYS  31           HA       CYS  31  -6.687   0.885  -1.289
  217   1HB   CYS  31          1HB       CYS  31  -5.675   2.940  -1.402
  218   2HB   CYS  31          2HB       CYS  31  -5.267   2.970   0.303
  219    H    ASN  32           H        ASN  32  -6.165   0.752   2.228
  220    HA   ASN  32           HA       ASN  32  -4.291  -1.412   1.922
  221   1HB   ASN  32          1HB       ASN  32  -5.454  -0.430   4.560
  222   2HB   ASN  32          2HB       ASN  32  -3.892  -1.175   4.281
  223   2HD2  ASN  32          2HD2      ASN  32  -5.845   1.704   3.817
  224   1HD2  ASN  32          1HD2      ASN  32  -4.556   2.840   3.603
  225    H    ASN  33           H        ASN  33  -7.561  -1.093   1.643
  226    HA   ASN  33           HA       ASN  33  -8.178  -3.421   3.265
  227   1HB   ASN  33          1HB       ASN  33  -9.667  -1.454   3.564
  228   2HB   ASN  33          2HB       ASN  33  -9.982  -1.395   1.841
  229   2HD2  ASN  33          2HD2      ASN  33 -11.140  -2.383   4.747
  230   1HD2  ASN  33          1HD2      ASN  33 -12.254  -3.620   4.268
  231    H    ARG  34           H        ARG  34  -8.243  -2.001  -0.047
  232    HA   ARG  34           HA       ARG  34  -9.631  -3.998  -1.306
  233   1HB   ARG  34          1HB       ARG  34  -8.541  -1.636  -2.094
  234   2HB   ARG  34          2HB       ARG  34  -7.325  -2.709  -2.757
  235   1HG   ARG  34          1HG       ARG  34 -10.325  -2.909  -3.303
  236   2HG   ARG  34          2HG       ARG  34  -9.147  -2.216  -4.400
  237   1HD   ARG  34          1HD       ARG  34  -7.919  -4.525  -4.232
  238   2HD   ARG  34          2HD       ARG  34  -9.410  -5.121  -3.532
  239    HE   ARG  34           HE       ARG  34  -9.991  -3.669  -5.953
  240   1HH1  ARG  34          1HH1      ARG  34  -8.640  -6.719  -4.832
  241   2HH1  ARG  34          2HH1      ARG  34  -9.062  -7.582  -6.274
  242   1HH2  ARG  34          1HH2      ARG  34 -10.548  -4.807  -7.855
  243   2HH2  ARG  34          2HH2      ARG  34 -10.155  -6.487  -8.004
  244    H    GLY  35           H        GLY  35  -6.274  -3.822  -0.168
  245   1HA   GLY  35          1HA       GLY  35  -5.725  -6.446  -1.421
  246   2HA   GLY  35          2HA       GLY  35  -5.361  -6.098   0.257
  247    H    CYS  36           H        CYS  36  -3.901  -4.116   0.674
  248    HA   CYS  36           HA       CYS  36  -1.485  -4.468  -0.488
  249   1HB   CYS  36          1HB       CYS  36  -3.147  -3.171  -2.358
  250   2HB   CYS  36          2HB       CYS  36  -2.078  -1.932  -1.732
  251    H    CYS  37           H        CYS  37  -0.602  -1.655  -0.541
  252    HA   CYS  37           HA       CYS  37  -1.304  -0.901   2.203
  253   1HB   CYS  37          1HB       CYS  37   1.340  -1.177   0.869
  254   2HB   CYS  37          2HB       CYS  37   1.135   0.183   1.955
  255    H    PHE  38           H        PHE  38  -1.192   1.488   2.596
  256    HA   PHE  38           HA       PHE  38  -1.593   2.974   0.095
  257   1HB   PHE  38          1HB       PHE  38  -3.680   2.680   1.411
  258   2HB   PHE  38          2HB       PHE  38  -2.858   3.129   2.892
  259    HD1  PHE  38           HD1      PHE  38  -4.145   4.420  -0.314
  260    HD2  PHE  38           HD2      PHE  38  -2.585   5.414   3.505
  261    HE1  PHE  38           HE1      PHE  38  -4.832   6.809  -0.656
  262    HE2  PHE  38           HE2      PHE  38  -3.272   7.804   3.163
  263    HZ   PHE  38           HZ       PHE  38  -4.387   8.473   1.087
  264    H    ASP  39           H        ASP  39  -1.401   5.498   0.623
  265    HA   ASP  39           HA       ASP  39   0.213   6.316   2.688
  266   1HB   ASP  39          1HB       ASP  39   2.028   5.026   1.705
  267   2HB   ASP  39          2HB       ASP  39   1.680   5.644   0.103
  268    H    SER  40           H        SER  40   0.453   8.655   2.561
  269    HA   SER  40           HA       SER  40  -0.311   9.845   0.031
  270   1HB   SER  40          1HB       SER  40  -1.905  11.369   1.141
  271   2HB   SER  40          2HB       SER  40  -2.393   9.699   1.350
  272    HG   SER  40           HG       SER  40  -1.319  11.529   3.270
  273    H    ARG  41           H        ARG  41   2.139   9.465   1.930
  274    HA   ARG  41           HA       ARG  41   2.688  11.920   3.075
  275   1HB   ARG  41          1HB       ARG  41   3.881   9.487   3.149
  276   2HB   ARG  41          2HB       ARG  41   4.941  10.240   1.975
  277   1HG   ARG  41          1HG       ARG  41   5.149  12.212   3.649
  278   2HG   ARG  41          2HG       ARG  41   4.375  11.165   4.822
  279   1HD   ARG  41          1HD       ARG  41   6.227   9.789   5.031
  280   2HD   ARG  41          2HD       ARG  41   6.663   9.933   3.340
  281    HE   ARG  41           HE       ARG  41   8.083  11.693   3.906
  282   1HH1  ARG  41          1HH1      ARG  41   5.647  11.363   6.424
  283   2HH1  ARG  41          2HH1      ARG  41   6.353  12.573   7.444
  284   1HH2  ARG  41          1HH2      ARG  41   9.014  13.289   5.251
  285   2HH2  ARG  41          2HH2      ARG  41   8.281  13.676   6.771
  286    H    ILE  42           H        ILE  42   3.103  10.618  -0.226
  287    HA   ILE  42           HA       ILE  42   3.578  13.274  -1.206
  288    HB   ILE  42           HB       ILE  42   5.628  12.027  -2.503
  289   1HG1  ILE  42          1HG1      ILE  42   7.075  11.068  -0.710
  290   2HG1  ILE  42          2HG1      ILE  42   5.706  11.101   0.383
  291   1HG2  ILE  42          1HG2      ILE  42   5.288  14.328  -1.207
  292   2HG2  ILE  42          2HG2      ILE  42   6.294  13.496   0.003
  293   3HG2  ILE  42          3HG2      ILE  42   6.897  13.715  -1.657
  294   1HD1  ILE  42          1HD1      ILE  42   5.755   9.621  -2.288
  295   2HD1  ILE  42          2HD1      ILE  42   5.995   8.867  -0.693
  296   3HD1  ILE  42          3HD1      ILE  42   4.427   9.601  -1.103
  297    HA   PRO  43           HA       PRO  43   1.237  11.338  -4.299
  298   1HB   PRO  43          1HB       PRO  43   1.008  13.450  -6.018
  299   2HB   PRO  43          2HB       PRO  43  -0.027  13.236  -4.621
  300   1HG   PRO  43          1HG       PRO  43   2.217  15.124  -4.992
  301   2HG   PRO  43          2HG       PRO  43   0.924  15.175  -3.810
  302   1HD   PRO  43          1HD       PRO  43   3.637  14.364  -3.352
  303   2HD   PRO  43          2HD       PRO  43   2.316  14.305  -2.201
  304    H    GLY  44           H        GLY  44   4.142  13.090  -5.146
  305   1HA   GLY  44          1HA       GLY  44   5.861  12.384  -6.448
  306   2HA   GLY  44          2HA       GLY  44   4.620  12.391  -7.685
  307    H    VAL  45           H        VAL  45   4.637  10.183  -4.854
  308    HA   VAL  45           HA       VAL  45   5.447   8.000  -6.626
  309    HB   VAL  45           HB       VAL  45   6.240   6.906  -4.780
  310   1HG1  VAL  45          1HG1      VAL  45   6.459   9.860  -4.131
  311   2HG1  VAL  45          2HG1      VAL  45   7.373   8.591  -3.280
  312   3HG1  VAL  45          3HG1      VAL  45   7.617   8.846  -5.024
  313   1HG2  VAL  45          1HG2      VAL  45   4.320   8.527  -3.077
  314   2HG2  VAL  45          2HG2      VAL  45   4.209   6.797  -3.482
  315   3HG2  VAL  45          3HG2      VAL  45   5.522   7.384  -2.432
  316    HA   PRO  46           HA       PRO  46   1.513   6.215  -6.475
  317   1HB   PRO  46          1HB       PRO  46   1.962   3.534  -6.193
  318   2HB   PRO  46          2HB       PRO  46   2.151   4.382  -7.714
  319   1HG   PRO  46          1HG       PRO  46   4.240   3.391  -5.873
  320   2HG   PRO  46          2HG       PRO  46   4.389   3.846  -7.559
  321   1HD   PRO  46          1HD       PRO  46   5.216   5.388  -5.286
  322   2HD   PRO  46          2HD       PRO  46   5.257   5.890  -6.964
  323    H    TRP  47           H        TRP  47   0.668   7.308  -4.666
  324    HA   TRP  47           HA       TRP  47   0.971   6.923  -2.115
  325   1HB   TRP  47          1HB       TRP  47  -1.533   7.157  -3.722
  326   2HB   TRP  47          2HB       TRP  47  -1.673   6.849  -2.003
  327    HD1  TRP  47           HD1      TRP  47   1.202   9.106  -3.170
  328    HE1  TRP  47           HE1      TRP  47   0.835  11.609  -2.417
  329    HE3  TRP  47           HE3      TRP  47  -3.557   8.457  -1.501
  330    HZ2  TRP  47           HZ2      TRP  47  -1.356  13.004  -1.234
  331    HZ3  TRP  47           HZ3      TRP  47  -4.739  10.441  -0.562
  332    HH2  TRP  47           HH2      TRP  47  -3.715  12.655  -0.414
  333    H    CYS  48           H        CYS  48  -1.099   4.665  -4.088
  334    HA   CYS  48           HA       CYS  48  -0.951   2.737  -1.942
  335   1HB   CYS  48          1HB       CYS  48  -3.006   3.362  -3.460
  336   2HB   CYS  48          2HB       CYS  48  -2.288   2.211  -4.570
  337    H    PHE  49           H        PHE  49   0.734   1.293  -1.875
  338    HA   PHE  49           HA       PHE  49   1.764   0.317  -4.424
  339   1HB   PHE  49          1HB       PHE  49   4.090   0.547  -3.253
  340   2HB   PHE  49          2HB       PHE  49   3.356   2.042  -3.801
  341    HD1  PHE  49           HD1      PHE  49   3.639  -0.113  -0.775
  342    HD2  PHE  49           HD2      PHE  49   3.093   3.805  -2.311
  343    HE1  PHE  49           HE1      PHE  49   3.808   0.822   1.549
  344    HE2  PHE  49           HE2      PHE  49   3.262   4.740   0.013
  345    HZ   PHE  49           HZ       PHE  49   3.618   3.237   1.915
  346    H    LYS  50           H        LYS  50   3.242  -1.653  -4.054
  347    HA   LYS  50           HA       LYS  50   1.836  -3.479  -2.422
  348   1HB   LYS  50          1HB       LYS  50   4.371  -3.647  -4.061
  349   2HB   LYS  50          2HB       LYS  50   3.776  -5.002  -3.124
  350   1HG   LYS  50          1HG       LYS  50   1.484  -4.098  -4.477
  351   2HG   LYS  50          2HG       LYS  50   2.759  -3.895  -5.662
  352   1HD   LYS  50          1HD       LYS  50   3.247  -6.425  -4.445
  353   2HD   LYS  50          2HD       LYS  50   1.516  -6.358  -4.709
  354   1HE   LYS  50          1HE       LYS  50   2.639  -5.293  -7.083
  355   2HE   LYS  50          2HE       LYS  50   3.678  -6.644  -6.672
  356   1HZ   LYS  50          1HZ       LYS  50   1.288  -7.693  -6.252
  357   2HZ   LYS  50          2HZ       LYS  50   0.919  -6.652  -7.455
  358   3HZ   LYS  50          3HZ       LYS  50   2.071  -7.787  -7.682
  359    HA   PRO  51           HA       PRO  51   4.080  -3.274   1.258
  360   1HB   PRO  51          1HB       PRO  51   4.151  -5.864   2.128
  361   2HB   PRO  51          2HB       PRO  51   2.741  -4.837   2.291
  362   1HG   PRO  51          1HG       PRO  51   3.212  -7.051   0.390
  363   2HG   PRO  51          2HG       PRO  51   1.695  -6.308   0.855
  364   1HD   PRO  51          1HD       PRO  51   3.136  -5.884  -1.589
  365   2HD   PRO  51          2HD       PRO  51   1.680  -5.055  -1.073
  366    H    LEU  52           H        LEU  52   6.114  -2.682   1.624
  367    HA   LEU  52           HA       LEU  52   8.192  -3.212   0.094
  368   1HB   LEU  52          1HB       LEU  52   8.405  -1.716   1.896
  369   2HB   LEU  52          2HB       LEU  52   8.060  -2.954   3.088
  370    HG   LEU  52           HG       LEU  52  10.544  -2.958   1.357
  371   1HD1  LEU  52          1HD1      LEU  52  10.114  -1.781   4.112
  372   2HD1  LEU  52          2HD1      LEU  52  11.714  -2.143   3.421
  373   3HD1  LEU  52          3HD1      LEU  52  10.655  -0.948   2.635
  374   1HD2  LEU  52          1HD2      LEU  52   9.389  -4.852   3.196
  375   2HD2  LEU  52          2HD2      LEU  52  10.836  -5.001   2.170
  376   3HD2  LEU  52          3HD2      LEU  52  10.968  -4.293   3.798
  377    H    GLN  53           H        GLN  53   9.630  -4.838  -0.420
  378    HA   GLN  53           HA       GLN  53   8.770  -7.442   0.058
  379   1HB   GLN  53          1HB       GLN  53  11.090  -8.006  -0.956
  380   2HB   GLN  53          2HB       GLN  53   9.966  -7.101  -1.951
  381   1HG   GLN  53          1HG       GLN  53  11.730  -5.434  -0.209
  382   2HG   GLN  53          2HG       GLN  53  12.565  -6.333  -1.460
  383   2HE2  GLN  53          2HE2      GLN  53  11.258  -3.466  -0.781
  384   1HE2  GLN  53          1HE2      GLN  53  10.762  -2.908  -2.344
  385    H    GLU  54           H        GLU  54   8.609  -7.314   2.485
  386    HA   GLU  54           HA       GLU  54  10.615  -6.856   4.190
  387   1HB   GLU  54          1HB       GLU  54   9.359  -8.029   5.794
  388   2HB   GLU  54          2HB       GLU  54   8.151  -7.622   4.592
  389   1HG   GLU  54          1HG       GLU  54   8.633  -9.925   3.520
  390   2HG   GLU  54          2HG       GLU  54   9.558 -10.301   4.960
  391    H    ALA  55           H        ALA  55  12.655  -7.641   4.473
  392    HA   ALA  55           HA       ALA  55  13.128 -10.469   4.114
  393   1HB   ALA  55          1HB       ALA  55  15.021 -10.049   2.538
  394   2HB   ALA  55          2HB       ALA  55  13.435  -9.647   1.837
  395   3HB   ALA  55          3HB       ALA  55  14.506  -8.350   2.418
  396    H    GLU  56           H        GLU  56  13.971 -10.889   6.103
  397    HA   GLU  56           HA       GLU  56  16.435  -9.738   6.775
  398   1HB   GLU  56          1HB       GLU  56  14.092  -8.347   7.745
  399   2HB   GLU  56          2HB       GLU  56  14.911  -9.075   9.113
  400   1HG   GLU  56          1HG       GLU  56  17.086  -8.079   7.834
  401   2HG   GLU  56          2HG       GLU  56  15.891  -6.958   7.213
  402    H    CYS  57           H        CYS  57  17.521 -11.032   8.319
  403    HA   CYS  57           HA       CYS  57  17.941 -12.835   9.494
  404   1HB   CYS  57          1HB       CYS  57  15.276 -12.028  10.492
  405   2HB   CYS  57          2HB       CYS  57  15.747 -13.677  10.852
  406    H    THR  58           H        THR  58  18.208 -13.995   7.418
  407    HA   THR  58           HA       THR  58  17.630 -15.460   5.799
  408    HB   THR  58           HB       THR  58  18.425 -16.999   7.434
  409    HG1  THR  58           HG1      THR  58  15.611 -17.716   7.049
  410   1HG2  THR  58          1HG2      THR  58  15.743 -16.655   8.878
  411   2HG2  THR  58          2HG2      THR  58  17.060 -17.746   9.373
  412   3HG2  THR  58          3HG2      THR  58  17.293 -15.983   9.440
  413    H    PHE  59           H        PHE  59  16.047 -14.217   4.673
  414    HA   PHE  59           HA       PHE  59  13.988 -13.660   4.013
  415   1HB   PHE  59          1HB       PHE  59  14.657 -16.177   3.329
  416   2HB   PHE  59          2HB       PHE  59  13.365 -16.623   4.426
  417    HD1  PHE  59           HD1      PHE  59  14.114 -14.729   1.337
  418    HD2  PHE  59           HD2      PHE  59  11.101 -16.474   3.762
  419    HE1  PHE  59           HE1      PHE  59  12.437 -14.383  -0.498
  420    HE2  PHE  59           HE2      PHE  59   9.424 -16.129   1.927
  421    HZ   PHE  59           HZ       PHE  59  10.111 -15.087  -0.181

  No H/Q in entry =         421
  Start of MODEL   66
    1    H    GLU   1           H        GLU   1   5.063 -15.725  14.099
    2    HA   GLU   1           HA       GLU   1   5.546 -16.360  16.777
    3   1HB   GLU   1          1HB       GLU   1   7.278 -17.681  14.913
    4   2HB   GLU   1          2HB       GLU   1   8.226 -16.428  15.688
    5   1HG   GLU   1          1HG       GLU   1   8.438 -18.364  17.093
    6   2HG   GLU   1          2HG       GLU   1   7.348 -17.283  17.938
    7    H    GLU   2           H        GLU   2   7.076 -14.827  13.856
    8    HA   GLU   2           HA       GLU   2   7.241 -12.390  15.452
    9   1HB   GLU   2          1HB       GLU   2   9.414 -13.574  14.584
   10   2HB   GLU   2          2HB       GLU   2   8.961 -12.937  13.015
   11   1HG   GLU   2          1HG       GLU   2   8.762 -10.626  14.177
   12   2HG   GLU   2          2HG       GLU   2   9.562 -11.360  15.552
   13    H    TYR   3           H        TYR   3   6.987 -13.592  12.025
   14    HA   TYR   3           HA       TYR   3   6.243 -11.413  10.700
   15   1HB   TYR   3          1HB       TYR   3   6.290 -13.595   9.630
   16   2HB   TYR   3          2HB       TYR   3   5.200 -14.286  10.815
   17    HD1  TYR   3           HD1      TYR   3   5.310 -11.812   8.013
   18    HD2  TYR   3           HD2      TYR   3   2.903 -14.467  10.350
   19    HE1  TYR   3           HE1      TYR   3   3.349 -11.431   6.440
   20    HE2  TYR   3           HE2      TYR   3   0.950 -14.077   8.770
   21    HH   TYR   3           HH       TYR   3   1.329 -12.646   5.757
   22    H    VAL   4           H        VAL   4   4.808  -9.786  10.985
   23    HA   VAL   4           HA       VAL   4   2.092 -10.284  11.493
   24    HB   VAL   4           HB       VAL   4   3.133 -10.739  13.754
   25   1HG1  VAL   4          1HG1      VAL   4   4.663  -8.593  13.381
   26   2HG1  VAL   4          2HG1      VAL   4   3.298  -7.784  14.187
   27   3HG1  VAL   4          3HG1      VAL   4   4.155  -9.113  15.006
   28   1HG2  VAL   4          1HG2      VAL   4   0.715  -9.724  13.077
   29   2HG2  VAL   4          2HG2      VAL   4   1.189 -10.123  14.746
   30   3HG2  VAL   4          3HG2      VAL   4   1.297  -8.443  14.168
   31    H    GLY   5           H        GLY   5   1.689  -8.921   9.762
   32   1HA   GLY   5          1HA       GLY   5   1.461  -6.990   8.637
   33   2HA   GLY   5          2HA       GLY   5   3.031  -6.518   9.254
   34    H    LEU   6           H        LEU   6  -0.345  -5.901   9.342
   35    HA   LEU   6           HA       LEU   6  -1.360  -4.117  10.257
   36   1HB   LEU   6          1HB       LEU   6  -2.201  -4.630  12.358
   37   2HB   LEU   6          2HB       LEU   6  -1.833  -6.180  11.629
   38    HG   LEU   6           HG       LEU   6   0.494  -5.553  13.025
   39   1HD1  LEU   6          1HD1      LEU   6  -1.472  -3.890  14.094
   40   2HD1  LEU   6          2HD1      LEU   6  -1.381  -5.262  15.223
   41   3HD1  LEU   6          3HD1      LEU   6   0.085  -4.330  14.836
   42   1HD2  LEU   6          1HD2      LEU   6  -1.862  -7.323  13.708
   43   2HD2  LEU   6          2HD2      LEU   6  -0.347  -7.770  12.886
   44   3HD2  LEU   6          3HD2      LEU   6  -0.328  -7.331  14.611
   45    H    SER   7           H        SER   7   0.993  -3.115   9.502
   46    HA   SER   7           HA       SER   7   1.379  -1.049  11.298
   47   1HB   SER   7          1HB       SER   7   3.570  -1.457  12.202
   48   2HB   SER   7          2HB       SER   7   2.605  -2.874  12.565
   49    HG   SER   7           HG       SER   7   4.941  -2.918  11.414
   50    H    ALA   8           H        ALA   8   3.895  -0.083  10.612
   51    HA   ALA   8           HA       ALA   8   3.511   0.493   7.840
   52   1HB   ALA   8          1HB       ALA   8   4.215   2.225   9.407
   53   2HB   ALA   8          2HB       ALA   8   5.655   1.279   9.854
   54   3HB   ALA   8          3HB       ALA   8   5.507   1.952   8.213
   55    H    ASN   9           H        ASN   9   5.465  -1.716   9.798
   56    HA   ASN   9           HA       ASN   9   7.626  -2.216   8.409
   57   1HB   ASN   9          1HB       ASN   9   5.594  -4.159   9.578
   58   2HB   ASN   9          2HB       ASN   9   7.055  -4.771   8.828
   59   2HD2  ASN   9          2HD2      ASN   9   7.736  -5.604  10.807
   60   1HD2  ASN   9          1HD2      ASN   9   8.419  -4.617  12.055
   61    H    GLN  10           H        GLN  10   4.268  -2.809   7.375
   62    HA   GLN  10           HA       GLN  10   5.096  -4.370   5.120
   63   1HB   GLN  10          1HB       GLN  10   2.821  -4.378   6.600
   64   2HB   GLN  10          2HB       GLN  10   2.306  -3.292   5.325
   65   1HG   GLN  10          1HG       GLN  10   3.316  -5.126   3.703
   66   2HG   GLN  10          2HG       GLN  10   3.197  -6.182   5.097
   67   2HE2  GLN  10          2HE2      GLN  10   0.929  -5.151   6.327
   68   1HE2  GLN  10          1HE2      GLN  10  -0.470  -5.471   5.358
   69    H    CYS  11           H        CYS  11   3.640  -1.117   5.776
   70    HA   CYS  11           HA       CYS  11   4.304  -0.411   3.015
   71   1HB   CYS  11          1HB       CYS  11   2.585   1.380   4.638
   72   2HB   CYS  11          2HB       CYS  11   2.522   0.992   2.930
   73    H    ALA  12           H        ALA  12   6.460  -0.601   4.753
   74    HA   ALA  12           HA       ALA  12   6.896   2.120   5.742
   75   1HB   ALA  12          1HB       ALA  12   9.015   0.788   6.668
   76   2HB   ALA  12          2HB       ALA  12   7.436   0.701   7.485
   77   3HB   ALA  12          3HB       ALA  12   7.951  -0.613   6.401
   78    H    VAL  13           H        VAL  13   6.793   1.830   2.937
   79    HA   VAL  13           HA       VAL  13   9.562   1.597   2.082
   80    HB   VAL  13           HB       VAL  13   7.536   2.395   0.123
   81   1HG1  VAL  13          1HG1      VAL  13   9.931   0.772   0.322
   82   2HG1  VAL  13          2HG1      VAL  13   8.631  -0.114  -0.510
   83   3HG1  VAL  13          3HG1      VAL  13   9.152   1.477  -1.115
   84   1HG2  VAL  13          1HG2      VAL  13   7.104  -0.041   1.846
   85   2HG2  VAL  13          2HG2      VAL  13   5.926   1.172   1.290
   86   3HG2  VAL  13          3HG2      VAL  13   6.584  -0.021   0.144
   87    HA   PRO  14           HA       PRO  14  10.171   5.872   1.986
   88   1HB   PRO  14          1HB       PRO  14  12.069   6.130   0.037
   89   2HB   PRO  14          2HB       PRO  14  12.439   5.623   1.674
   90   1HG   PRO  14          1HG       PRO  14  12.303   3.990  -0.786
   91   2HG   PRO  14          2HG       PRO  14  13.067   3.608   0.744
   92   1HD   PRO  14          1HD       PRO  14  10.566   2.592  -0.226
   93   2HD   PRO  14          2HD       PRO  14  11.275   2.302   1.350
   94    H    ALA  15           H        ALA  15  10.154   4.756  -1.373
   95    HA   ALA  15           HA       ALA  15   7.818   5.699  -2.203
   96   1HB   ALA  15          1HB       ALA  15   9.686   7.986  -1.667
   97   2HB   ALA  15          2HB       ALA  15   7.916   7.896  -1.499
   98   3HB   ALA  15          3HB       ALA  15   8.649   8.069  -3.111
   99    H    LYS  16           H        LYS  16  11.272   5.318  -2.637
  100    HA   LYS  16           HA       LYS  16  10.987   5.284  -5.534
  101   1HB   LYS  16          1HB       LYS  16  13.402   5.198  -5.582
  102   2HB   LYS  16          2HB       LYS  16  12.879   6.500  -4.533
  103   1HG   LYS  16          1HG       LYS  16  14.637   5.370  -3.347
  104   2HG   LYS  16          2HG       LYS  16  13.147   4.898  -2.555
  105   1HD   LYS  16          1HD       LYS  16  13.301   2.705  -3.256
  106   2HD   LYS  16          2HD       LYS  16  13.959   3.137  -4.821
  107   1HE   LYS  16          1HE       LYS  16  16.085   2.764  -4.109
  108   2HE   LYS  16          2HE       LYS  16  15.875   3.842  -2.743
  109   1HZ   LYS  16          1HZ       LYS  16  14.827   1.103  -2.754
  110   2HZ   LYS  16          2HZ       LYS  16  16.317   1.475  -2.199
  111   3HZ   LYS  16          3HZ       LYS  16  14.995   2.100  -1.472
  112    H    ASP  17           H        ASP  17  10.331   3.232  -3.005
  113    HA   ASP  17           HA       ASP  17  11.226   0.927  -4.547
  114   1HB   ASP  17          1HB       ASP  17  11.259   1.562  -1.695
  115   2HB   ASP  17          2HB       ASP  17  10.328   0.102  -1.968
  116    H    ARG  18           H        ARG  18   8.670   2.859  -4.422
  117    HA   ARG  18           HA       ARG  18   6.620   1.103  -3.588
  118   1HB   ARG  18          1HB       ARG  18   6.264   3.548  -5.375
  119   2HB   ARG  18          2HB       ARG  18   5.107   2.873  -4.244
  120   1HG   ARG  18          1HG       ARG  18   7.772   4.156  -3.471
  121   2HG   ARG  18          2HG       ARG  18   6.208   4.939  -3.355
  122   1HD   ARG  18          1HD       ARG  18   5.489   2.956  -1.844
  123   2HD   ARG  18          2HD       ARG  18   7.183   2.512  -1.787
  124    HE   ARG  18           HE       ARG  18   7.501   4.229  -0.249
  125   1HH1  ARG  18          1HH1      ARG  18   4.723   5.038  -2.252
  126   2HH1  ARG  18          2HH1      ARG  18   4.370   6.502  -1.395
  127   1HH2  ARG  18          1HH2      ARG  18   7.036   6.160   0.882
  128   2HH2  ARG  18          2HH2      ARG  18   5.695   7.144   0.400
  129    H    VAL  19           H        VAL  19   6.070  -0.697  -4.784
  130    HA   VAL  19           HA       VAL  19   6.740  -0.875  -7.544
  131    HB   VAL  19           HB       VAL  19   4.991  -2.671  -5.854
  132   1HG1  VAL  19          1HG1      VAL  19   6.294  -2.917  -8.544
  133   2HG1  VAL  19          2HG1      VAL  19   6.144  -4.367  -7.523
  134   3HG1  VAL  19          3HG1      VAL  19   4.688  -3.459  -7.997
  135   1HG2  VAL  19          1HG2      VAL  19   7.457  -2.052  -5.083
  136   2HG2  VAL  19          2HG2      VAL  19   6.832  -3.715  -4.967
  137   3HG2  VAL  19          3HG2      VAL  19   7.889  -3.254  -6.323
  138    H    ASP  20           H        ASP  20   4.257   0.703  -5.854
  139    HA   ASP  20           HA       ASP  20   2.390   1.628  -6.449
  140   1HB   ASP  20          1HB       ASP  20   3.740   2.358  -8.452
  141   2HB   ASP  20          2HB       ASP  20   3.189   0.936  -9.315
  142    H    CYS  21           H        CYS  21   0.440   0.585  -6.020
  143    HA   CYS  21           HA       CYS  21   0.067  -2.092  -6.962
  144   1HB   CYS  21          1HB       CYS  21  -0.645  -0.852  -4.688
  145   2HB   CYS  21          2HB       CYS  21  -2.129  -0.629  -5.592
  146    H    GLY  22           H        GLY  22  -0.618   1.153  -8.003
  147   1HA   GLY  22          1HA       GLY  22  -1.763   0.365 -10.432
  148   2HA   GLY  22          2HA       GLY  22  -1.742   1.984  -9.761
  149    H    TYR  23           H        TYR  23  -3.399   2.426  -7.935
  150    HA   TYR  23           HA       TYR  23  -5.928   1.215  -8.774
  151   1HB   TYR  23          1HB       TYR  23  -4.510   0.590  -6.421
  152   2HB   TYR  23          2HB       TYR  23  -5.542   1.896  -5.873
  153    HD1  TYR  23           HD1      TYR  23  -5.759  -1.321  -7.795
  154    HD2  TYR  23           HD2      TYR  23  -7.672   1.384  -5.088
  155    HE1  TYR  23           HE1      TYR  23  -7.689  -2.953  -7.516
  156    HE2  TYR  23           HE2      TYR  23  -9.595  -0.257  -4.818
  157    HH   TYR  23           HH       TYR  23 -10.590  -2.041  -5.829
  158    HA   PRO  24           HA       PRO  24  -7.189   5.356  -8.619
  159   1HB   PRO  24          1HB       PRO  24  -9.902   5.042  -8.715
  160   2HB   PRO  24          2HB       PRO  24  -8.878   4.966 -10.135
  161   1HG   PRO  24          1HG       PRO  24 -10.191   2.755  -8.676
  162   2HG   PRO  24          2HG       PRO  24  -9.534   2.761 -10.301
  163   1HD   PRO  24          1HD       PRO  24  -8.332   1.603  -7.968
  164   2HD   PRO  24          2HD       PRO  24  -7.624   1.712  -9.568
  165    H    HIS  25           H        HIS  25  -9.836   3.892  -6.840
  166    HA   HIS  25           HA       HIS  25  -9.666   5.918  -4.887
  167   1HB   HIS  25          1HB       HIS  25 -11.658   5.132  -4.186
  168   2HB   HIS  25          2HB       HIS  25 -11.633   4.313  -5.735
  169    HD1  HIS  25           HD1      HIS  25 -12.386   3.615  -2.355
  170    HD2  HIS  25           HD2      HIS  25 -10.211   1.572  -5.304
  171    HE1  HIS  25           HE1      HIS  25 -12.291   1.175  -1.612
  172    HE2  HIS  25           HE2      HIS  25 -10.991  -0.040  -3.490
  173    H    VAL  26           H        VAL  26  -7.766   6.028  -3.728
  174    HA   VAL  26           HA       VAL  26  -7.079   3.590  -2.239
  175    HB   VAL  26           HB       VAL  26  -4.713   4.401  -2.370
  176   1HG1  VAL  26          1HG1      VAL  26  -6.239   3.474  -4.801
  177   2HG1  VAL  26          2HG1      VAL  26  -4.477   3.715  -4.860
  178   3HG1  VAL  26          3HG1      VAL  26  -5.177   2.547  -3.715
  179   1HG2  VAL  26          1HG2      VAL  26  -5.685   6.748  -3.242
  180   2HG2  VAL  26          2HG2      VAL  26  -4.043   6.180  -3.628
  181   3HG2  VAL  26          3HG2      VAL  26  -5.356   5.980  -4.814
  182    H    THR  27           H        THR  27  -7.159   3.843  -0.063
  183    HA   THR  27           HA       THR  27  -6.845   6.572   0.982
  184    HB   THR  27           HB       THR  27  -8.836   6.330   2.303
  185    HG1  THR  27           HG1      THR  27  -8.449   3.560   1.443
  186   1HG2  THR  27          1HG2      THR  27  -9.377   6.571  -0.181
  187   2HG2  THR  27          2HG2      THR  27  -9.495   4.796  -0.264
  188   3HG2  THR  27          3HG2      THR  27 -10.632   5.718   0.749
  189    HA   PRO  28           HA       PRO  28  -4.363   4.781   3.991
  190   1HB   PRO  28          1HB       PRO  28  -4.933   6.164   6.278
  191   2HB   PRO  28          2HB       PRO  28  -3.916   6.801   5.002
  192   1HG   PRO  28          1HG       PRO  28  -6.705   7.510   5.678
  193   2HG   PRO  28          2HG       PRO  28  -5.549   8.405   4.713
  194   1HD   PRO  28          1HD       PRO  28  -7.752   6.846   3.742
  195   2HD   PRO  28          2HD       PRO  28  -6.528   7.645   2.776
  196    H    LYS  29           H        LYS  29  -6.744   3.310   3.452
  197    HA   LYS  29           HA       LYS  29  -6.564   1.492   5.552
  198   1HB   LYS  29          1HB       LYS  29  -7.859   3.509   6.609
  199   2HB   LYS  29          2HB       LYS  29  -9.220   2.900   5.689
  200   1HG   LYS  29          1HG       LYS  29  -7.857   0.686   7.015
  201   2HG   LYS  29          2HG       LYS  29  -8.243   1.931   8.187
  202   1HD   LYS  29          1HD       LYS  29 -10.580   1.812   6.672
  203   2HD   LYS  29          2HD       LYS  29 -10.059   0.138   6.675
  204   1HE   LYS  29          1HE       LYS  29  -9.730   1.253   9.346
  205   2HE   LYS  29          2HE       LYS  29 -11.362   1.563   8.786
  206   1HZ   LYS  29          1HZ       LYS  29 -11.050  -0.947   8.038
  207   2HZ   LYS  29          2HZ       LYS  29 -10.084  -0.945   9.355
  208   3HZ   LYS  29          3HZ       LYS  29 -11.655  -0.519   9.494
  209    H    GLU  30           H        GLU  30  -8.744   2.972   3.077
  210    HA   GLU  30           HA       GLU  30  -9.899   0.479   2.443
  211   1HB   GLU  30          1HB       GLU  30 -10.640   3.056   2.024
  212   2HB   GLU  30          2HB       GLU  30  -9.941   2.721   0.452
  213   1HG   GLU  30          1HG       GLU  30 -12.186   2.059   0.161
  214   2HG   GLU  30          2HG       GLU  30 -11.383   0.536   0.491
  215    H    CYS  31           H        CYS  31  -7.009   2.247   1.460
  216    HA   CYS  31           HA       CYS  31  -6.681   0.790  -0.973
  217   1HB   CYS  31          1HB       CYS  31  -5.713   2.862  -1.122
  218   2HB   CYS  31          2HB       CYS  31  -5.135   2.848   0.532
  219    H    ASN  32           H        ASN  32  -5.731   0.573   2.459
  220    HA   ASN  32           HA       ASN  32  -3.877  -1.544   1.879
  221   1HB   ASN  32          1HB       ASN  32  -4.791  -0.725   4.664
  222   2HB   ASN  32          2HB       ASN  32  -3.238  -1.378   4.184
  223   2HD2  ASN  32          2HD2      ASN  32  -5.353   1.421   4.076
  224   1HD2  ASN  32          1HD2      ASN  32  -4.143   2.627   3.789
  225    H    ASN  33           H        ASN  33  -7.180  -1.275   1.994
  226    HA   ASN  33           HA       ASN  33  -7.562  -3.709   3.529
  227   1HB   ASN  33          1HB       ASN  33  -9.035  -1.783   4.104
  228   2HB   ASN  33          2HB       ASN  33  -9.565  -1.663   2.438
  229   2HD2  ASN  33          2HD2      ASN  33 -11.271  -1.993   4.620
  230   1HD2  ASN  33          1HD2      ASN  33 -12.079  -3.521   4.509
  231    H    ARG  34           H        ARG  34  -8.031  -2.106   0.336
  232    HA   ARG  34           HA       ARG  34  -9.527  -4.056  -0.871
  233   1HB   ARG  34          1HB       ARG  34  -8.558  -1.632  -1.638
  234   2HB   ARG  34          2HB       ARG  34  -7.420  -2.648  -2.501
  235   1HG   ARG  34          1HG       ARG  34  -9.372  -2.136  -3.930
  236   2HG   ARG  34          2HG       ARG  34  -9.289  -3.856  -3.603
  237   1HD   ARG  34          1HD       ARG  34 -11.096  -3.775  -2.039
  238   2HD   ARG  34          2HD       ARG  34 -10.952  -2.042  -1.819
  239    HE   ARG  34           HE       ARG  34 -12.119  -1.679  -3.859
  240   1HH1  ARG  34          1HH1      ARG  34 -11.480  -5.103  -3.356
  241   2HH1  ARG  34          2HH1      ARG  34 -12.573  -5.620  -4.596
  242   1HH2  ARG  34          1HH2      ARG  34 -13.562  -2.360  -5.494
  243   2HH2  ARG  34          2HH2      ARG  34 -13.765  -4.049  -5.820
  244    H    GLY  35           H        GLY  35  -6.104  -3.940  -0.017
  245   1HA   GLY  35          1HA       GLY  35  -5.651  -6.451  -1.517
  246   2HA   GLY  35          2HA       GLY  35  -5.121  -6.204   0.135
  247    H    CYS  36           H        CYS  36  -3.657  -4.208   0.521
  248    HA   CYS  36           HA       CYS  36  -1.359  -4.456  -0.878
  249   1HB   CYS  36          1HB       CYS  36  -3.205  -3.111  -2.524
  250   2HB   CYS  36          2HB       CYS  36  -2.112  -1.875  -1.934
  251    H    CYS  37           H        CYS  37  -0.559  -1.602  -0.886
  252    HA   CYS  37           HA       CYS  37  -1.023  -0.981   1.940
  253   1HB   CYS  37          1HB       CYS  37   1.517  -1.217   0.412
  254   2HB   CYS  37          2HB       CYS  37   1.399   0.109   1.552
  255    H    PHE  38           H        PHE  38  -0.878   1.389   2.416
  256    HA   PHE  38           HA       PHE  38  -1.431   2.976   0.007
  257   1HB   PHE  38          1HB       PHE  38  -3.439   2.608   1.434
  258   2HB   PHE  38          2HB       PHE  38  -2.534   3.024   2.876
  259    HD1  PHE  38           HD1      PHE  38  -4.118   4.365  -0.155
  260    HD2  PHE  38           HD2      PHE  38  -2.147   5.319   3.480
  261    HE1  PHE  38           HE1      PHE  38  -4.845   6.756  -0.388
  262    HE2  PHE  38           HE2      PHE  38  -2.874   7.710   3.247
  263    HZ   PHE  38           HZ       PHE  38  -4.214   8.400   1.315
  264    H    ASP  39           H        ASP  39  -1.244   5.486   0.682
  265    HA   ASP  39           HA       ASP  39   0.490   6.215   2.671
  266   1HB   ASP  39          1HB       ASP  39   2.248   4.972   1.526
  267   2HB   ASP  39          2HB       ASP  39   1.820   5.678  -0.020
  268    H    SER  40           H        SER  40   0.632   8.547   2.674
  269    HA   SER  40           HA       SER  40  -0.289   9.839   0.238
  270   1HB   SER  40          1HB       SER  40  -1.775  11.311   1.522
  271   2HB   SER  40          2HB       SER  40  -2.225   9.637   1.780
  272    HG   SER  40           HG       SER  40  -2.179  10.406   3.836
  273    H    ARG  41           H        ARG  41   2.314   9.377   1.939
  274    HA   ARG  41           HA       ARG  41   2.998  11.782   3.092
  275   1HB   ARG  41          1HB       ARG  41   4.178   9.319   2.881
  276   2HB   ARG  41          2HB       ARG  41   5.161  10.203   1.731
  277   1HG   ARG  41          1HG       ARG  41   5.013  11.980   3.881
  278   2HG   ARG  41          2HG       ARG  41   5.062  10.423   4.684
  279   1HD   ARG  41          1HD       ARG  41   7.024  10.027   2.816
  280   2HD   ARG  41          2HD       ARG  41   7.156  11.764   3.008
  281    HE   ARG  41           HE       ARG  41   7.922   9.754   4.957
  282   1HH1  ARG  41          1HH1      ARG  41   6.695  13.037   4.647
  283   2HH1  ARG  41          2HH1      ARG  41   7.319  13.552   6.179
  284   1HH2  ARG  41          1HH2      ARG  41   8.745  10.432   6.978
  285   2HH2  ARG  41          2HH2      ARG  41   8.493  12.059   7.513
  286    H    ILE  42           H        ILE  42   3.245  10.554  -0.278
  287    HA   ILE  42           HA       ILE  42   3.547  13.258  -1.215
  288    HB   ILE  42           HB       ILE  42   5.539  12.123  -2.681
  289   1HG1  ILE  42          1HG1      ILE  42   7.125  11.110  -1.065
  290   2HG1  ILE  42          2HG1      ILE  42   5.869  11.106   0.157
  291   1HG2  ILE  42          1HG2      ILE  42   5.278  14.378  -1.408
  292   2HG2  ILE  42          2HG2      ILE  42   6.199  13.556  -0.126
  293   3HG2  ILE  42          3HG2      ILE  42   6.904  13.739  -1.750
  294   1HD1  ILE  42          1HD1      ILE  42   5.231   9.847  -2.505
  295   2HD1  ILE  42          2HD1      ILE  42   6.303   8.966  -1.389
  296   3HD1  ILE  42          3HD1      ILE  42   4.656   9.408  -0.879
  297    HA   PRO  43           HA       PRO  43   1.066  11.344  -4.209
  298   1HB   PRO  43          1HB       PRO  43   0.704  13.482  -5.873
  299   2HB   PRO  43          2HB       PRO  43  -0.242  13.227  -4.420
  300   1HG   PRO  43          1HG       PRO  43   1.947  15.157  -4.891
  301   2HG   PRO  43          2HG       PRO  43   0.727  15.167  -3.634
  302   1HD   PRO  43          1HD       PRO  43   3.474  14.391  -3.353
  303   2HD   PRO  43          2HD       PRO  43   2.226  14.292  -2.127
  304    H    GLY  44           H        GLY  44   3.949  13.073  -5.118
  305   1HA   GLY  44          1HA       GLY  44   5.578  12.438  -6.553
  306   2HA   GLY  44          2HA       GLY  44   4.273  12.458  -7.722
  307    H    VAL  45           H        VAL  45   4.595  10.208  -4.923
  308    HA   VAL  45           HA       VAL  45   5.294   8.065  -6.775
  309    HB   VAL  45           HB       VAL  45   6.176   6.952  -4.984
  310   1HG1  VAL  45          1HG1      VAL  45   6.544   9.859  -4.858
  311   2HG1  VAL  45          2HG1      VAL  45   6.900   9.039  -3.319
  312   3HG1  VAL  45          3HG1      VAL  45   7.745   8.547  -4.806
  313   1HG2  VAL  45          1HG2      VAL  45   4.116   8.389  -3.313
  314   2HG2  VAL  45          2HG2      VAL  45   4.372   6.641  -3.530
  315   3HG2  VAL  45          3HG2      VAL  45   5.518   7.594  -2.558
  316    HA   PRO  46           HA       PRO  46   1.409   6.187  -6.488
  317   1HB   PRO  46          1HB       PRO  46   1.903   3.520  -6.148
  318   2HB   PRO  46          2HB       PRO  46   2.053   4.333  -7.693
  319   1HG   PRO  46          1HG       PRO  46   4.189   3.419  -5.865
  320   2HG   PRO  46          2HG       PRO  46   4.301   3.834  -7.564
  321   1HD   PRO  46          1HD       PRO  46   5.144   5.444  -5.345
  322   2HD   PRO  46          2HD       PRO  46   5.149   5.905  -7.035
  323    H    TRP  47           H        TRP  47   0.487   7.253  -4.732
  324    HA   TRP  47           HA       TRP  47   0.886   6.918  -2.151
  325   1HB   TRP  47          1HB       TRP  47  -1.601   7.245  -3.750
  326   2HB   TRP  47          2HB       TRP  47  -1.785   6.860  -2.050
  327    HD1  TRP  47           HD1      TRP  47   1.121   9.137  -3.153
  328    HE1  TRP  47           HE1      TRP  47   0.806  11.596  -2.249
  329    HE3  TRP  47           HE3      TRP  47  -3.588   8.439  -1.365
  330    HZ2  TRP  47           HZ2      TRP  47  -1.329  12.944  -0.918
  331    HZ3  TRP  47           HZ3      TRP  47  -4.717  10.378  -0.278
  332    HH2  TRP  47           HH2      TRP  47  -3.663  12.570  -0.040
  333    H    CYS  48           H        CYS  48  -1.152   4.657  -4.148
  334    HA   CYS  48           HA       CYS  48  -1.023   2.742  -1.973
  335   1HB   CYS  48          1HB       CYS  48  -3.138   3.388  -3.343
  336   2HB   CYS  48          2HB       CYS  48  -2.480   2.319  -4.567
  337    H    PHE  49           H        PHE  49   0.841   1.518  -1.967
  338    HA   PHE  49           HA       PHE  49   1.706   0.465  -4.563
  339   1HB   PHE  49          1HB       PHE  49   4.057   0.640  -3.431
  340   2HB   PHE  49          2HB       PHE  49   3.331   2.154  -3.933
  341    HD1  PHE  49           HD1      PHE  49   3.498  -0.075  -0.943
  342    HD2  PHE  49           HD2      PHE  49   3.264   3.896  -2.418
  343    HE1  PHE  49           HE1      PHE  49   3.721   0.807   1.397
  344    HE2  PHE  49           HE2      PHE  49   3.487   4.779  -0.079
  345    HZ   PHE  49           HZ       PHE  49   3.713   3.223   1.800
  346    H    LYS  50           H        LYS  50   3.178  -1.526  -4.262
  347    HA   LYS  50           HA       LYS  50   1.778  -3.409  -2.729
  348   1HB   LYS  50          1HB       LYS  50   4.454  -3.522  -4.146
  349   2HB   LYS  50          2HB       LYS  50   3.696  -4.910  -3.392
  350   1HG   LYS  50          1HG       LYS  50   1.580  -4.081  -4.855
  351   2HG   LYS  50          2HG       LYS  50   2.845  -3.373  -5.840
  352   1HD   LYS  50          1HD       LYS  50   3.798  -5.969  -5.288
  353   2HD   LYS  50          2HD       LYS  50   2.079  -6.200  -5.539
  354   1HE   LYS  50          1HE       LYS  50   2.934  -4.378  -7.570
  355   2HE   LYS  50          2HE       LYS  50   4.150  -5.637  -7.508
  356   1HZ   LYS  50          1HZ       LYS  50   1.261  -6.138  -7.702
  357   2HZ   LYS  50          2HZ       LYS  50   2.299  -6.176  -8.962
  358   3HZ   LYS  50          3HZ       LYS  50   2.440  -7.267  -7.755
  359    HA   PRO  51           HA       PRO  51   3.794  -3.247   1.082
  360   1HB   PRO  51          1HB       PRO  51   3.805  -5.851   1.911
  361   2HB   PRO  51          2HB       PRO  51   2.391  -4.821   2.008
  362   1HG   PRO  51          1HG       PRO  51   2.965  -7.006   0.101
  363   2HG   PRO  51          2HG       PRO  51   1.426  -6.263   0.489
  364   1HD   PRO  51          1HD       PRO  51   3.008  -5.806  -1.859
  365   2HD   PRO  51          2HD       PRO  51   1.528  -4.979  -1.415
  366    H    LEU  52           H        LEU  52   5.802  -2.705   1.632
  367    HA   LEU  52           HA       LEU  52   7.966  -3.230   0.190
  368   1HB   LEU  52          1HB       LEU  52   8.205  -1.730   1.928
  369   2HB   LEU  52          2HB       LEU  52   7.578  -2.842   3.129
  370    HG   LEU  52           HG       LEU  52  10.241  -3.260   1.757
  371   1HD1  LEU  52          1HD1      LEU  52   9.615  -1.142   3.485
  372   2HD1  LEU  52          2HD1      LEU  52  10.469  -2.339   4.488
  373   3HD1  LEU  52          3HD1      LEU  52  11.230  -1.714   3.005
  374   1HD2  LEU  52          1HD2      LEU  52   8.671  -4.873   3.475
  375   2HD2  LEU  52          2HD2      LEU  52  10.326  -5.164   2.887
  376   3HD2  LEU  52          3HD2      LEU  52  10.066  -4.301   4.422
  377    H    GLN  53           H        GLN  53   9.449  -4.859  -0.201
  378    HA   GLN  53           HA       GLN  53   8.540  -7.460   0.244
  379   1HB   GLN  53          1HB       GLN  53  10.880  -6.147  -1.042
  380   2HB   GLN  53          2HB       GLN  53  11.186  -7.774  -0.467
  381   1HG   GLN  53          1HG       GLN  53  10.220  -8.497  -2.395
  382   2HG   GLN  53          2HG       GLN  53   8.687  -8.036  -1.681
  383   2HE2  GLN  53          2HE2      GLN  53   8.473  -5.461  -1.718
  384   1HE2  GLN  53          1HE2      GLN  53   8.637  -4.759  -3.293
  385    H    GLU  54           H        GLU  54   8.263  -7.230   2.675
  386    HA   GLU  54           HA       GLU  54  10.226  -6.798   4.444
  387   1HB   GLU  54          1HB       GLU  54   8.875  -7.904   6.038
  388   2HB   GLU  54          2HB       GLU  54   7.733  -7.395   4.811
  389   1HG   GLU  54          1HG       GLU  54   7.095  -9.625   5.075
  390   2HG   GLU  54          2HG       GLU  54   8.228  -9.777   3.746
  391    H    ALA  55           H        ALA  55  12.219  -7.663   4.813
  392    HA   ALA  55           HA       ALA  55  12.587 -10.502   4.711
  393   1HB   ALA  55          1HB       ALA  55  13.859 -10.704   2.810
  394   2HB   ALA  55          2HB       ALA  55  12.822  -9.356   2.284
  395   3HB   ALA  55          3HB       ALA  55  14.460  -9.031   2.902
  396    H    GLU  56           H        GLU  56  14.372 -11.126   5.967
  397    HA   GLU  56           HA       GLU  56  15.532  -8.918   7.430
  398   1HB   GLU  56          1HB       GLU  56  15.229 -11.885   7.946
  399   2HB   GLU  56          2HB       GLU  56  16.414 -10.963   8.851
  400   1HG   GLU  56          1HG       GLU  56  14.696  -9.453   9.711
  401   2HG   GLU  56          2HG       GLU  56  13.485 -10.132   8.642
  402    H    CYS  57           H        CYS  57  16.621 -12.067   5.956
  403    HA   CYS  57           HA       CYS  57  19.170 -10.727   5.410
  404   1HB   CYS  57          1HB       CYS  57  20.282 -12.867   5.624
  405   2HB   CYS  57          2HB       CYS  57  19.450 -12.437   7.105
  406    H    THR  58           H        THR  58  20.313 -11.873   3.440
  407    HA   THR  58           HA       THR  58  18.435 -13.029   1.550
  408    HB   THR  58           HB       THR  58  18.241 -10.503   1.339
  409    HG1  THR  58           HG1      THR  58  18.063 -12.092  -0.474
  410   1HG2  THR  58          1HG2      THR  58  20.860 -10.254   1.802
  411   2HG2  THR  58          2HG2      THR  58  20.988 -10.590   0.059
  412   3HG2  THR  58          3HG2      THR  58  20.063  -9.179   0.628
  413    H    PHE  59           H        PHE  59  19.472 -14.049  -0.272
  414    HA   PHE  59           HA       PHE  59  20.993 -15.534  -0.934
  415   1HB   PHE  59          1HB       PHE  59  21.854 -12.809  -1.180
  416   2HB   PHE  59          2HB       PHE  59  23.278 -13.678  -0.644
  417    HD1  PHE  59           HD1      PHE  59  20.565 -13.927  -3.195
  418    HD2  PHE  59           HD2      PHE  59  24.628 -14.679  -2.231
  419    HE1  PHE  59           HE1      PHE  59  20.981 -14.696  -5.548
  420    HE2  PHE  59           HE2      PHE  59  25.044 -15.448  -4.584
  421    HZ   PHE  59           HZ       PHE  59  23.215 -15.447  -6.215

  No H/Q in entry =         421
  Start of MODEL   67
    1    H    GLU   1           H        GLU   1  12.809 -13.577  16.782
    2    HA   GLU   1           HA       GLU   1  10.675 -15.225  17.300
    3   1HB   GLU   1          1HB       GLU   1  12.459 -15.528  19.367
    4   2HB   GLU   1          2HB       GLU   1  11.488 -14.204  19.980
    5   1HG   GLU   1          1HG       GLU   1   9.524 -15.889  19.002
    6   2HG   GLU   1          2HG       GLU   1  10.734 -17.049  19.512
    7    H    GLU   2           H        GLU   2  10.361 -13.217  15.821
    8    HA   GLU   2           HA       GLU   2   8.989 -11.286  17.415
    9   1HB   GLU   2          1HB       GLU   2  11.600 -10.683  16.136
   10   2HB   GLU   2          2HB       GLU   2  10.337  -9.530  15.753
   11   1HG   GLU   2          1HG       GLU   2  10.228  -8.723  17.905
   12   2HG   GLU   2          2HG       GLU   2  10.434 -10.308  18.623
   13    H    TYR   3           H        TYR   3   8.074  -9.484  15.704
   14    HA   TYR   3           HA       TYR   3   7.765 -10.178  13.042
   15   1HB   TYR   3          1HB       TYR   3   6.440 -11.944  14.812
   16   2HB   TYR   3          2HB       TYR   3   5.176 -10.794  14.421
   17    HD1  TYR   3           HD1      TYR   3   4.414 -10.524  12.058
   18    HD2  TYR   3           HD2      TYR   3   7.216 -13.551  13.194
   19    HE1  TYR   3           HE1      TYR   3   3.970 -11.762   9.882
   20    HE2  TYR   3           HE2      TYR   3   6.763 -14.778  11.014
   21    HH   TYR   3           HH       TYR   3   4.607 -13.383   8.575
   22    H    VAL   4           H        VAL   4   5.892  -8.950  12.005
   23    HA   VAL   4           HA       VAL   4   5.030  -6.743  13.731
   24    HB   VAL   4           HB       VAL   4   5.392  -5.264  11.717
   25   1HG1  VAL   4          1HG1      VAL   4   7.446  -6.392  13.531
   26   2HG1  VAL   4          2HG1      VAL   4   8.069  -5.496  12.125
   27   3HG1  VAL   4          3HG1      VAL   4   6.950  -4.704  13.261
   28   1HG2  VAL   4          1HG2      VAL   4   6.961  -7.689  10.794
   29   2HG2  VAL   4          2HG2      VAL   4   5.630  -6.860   9.951
   30   3HG2  VAL   4          3HG2      VAL   4   7.203  -6.050  10.143
   31    H    GLY   5           H        GLY   5   3.485  -5.353  11.882
   32   1HA   GLY   5          1HA       GLY   5   1.373  -7.332  11.359
   33   2HA   GLY   5          2HA       GLY   5   1.912  -6.289  10.058
   34    H    LEU   6           H        LEU   6   2.233  -4.801  13.168
   35    HA   LEU   6           HA       LEU   6  -0.295  -3.373  12.713
   36   1HB   LEU   6          1HB       LEU   6  -0.110  -2.983  15.264
   37   2HB   LEU   6          2HB       LEU   6  -0.776  -4.480  14.641
   38    HG   LEU   6           HG       LEU   6   2.102  -4.177  15.532
   39   1HD1  LEU   6          1HD1      LEU   6   0.521  -3.733  17.391
   40   2HD1  LEU   6          2HD1      LEU   6  -0.202  -5.337  17.120
   41   3HD1  LEU   6          3HD1      LEU   6   1.498  -5.202  17.628
   42   1HD2  LEU   6          1HD2      LEU   6   0.669  -6.249  14.154
   43   2HD2  LEU   6          2HD2      LEU   6   2.385  -6.178  14.621
   44   3HD2  LEU   6          3HD2      LEU   6   1.180  -6.838  15.753
   45    H    SER   7           H        SER   7   1.588  -2.355  11.220
   46    HA   SER   7           HA       SER   7   2.070   0.135  12.396
   47   1HB   SER   7          1HB       SER   7   4.441   0.173  12.615
   48   2HB   SER   7          2HB       SER   7   3.935  -1.299  13.420
   49    HG   SER   7           HG       SER   7   4.781  -2.543  11.815
   50    H    ALA   8           H        ALA   8   4.535   0.549  10.620
   51    HA   ALA   8           HA       ALA   8   3.111   0.423   8.050
   52   1HB   ALA   8          1HB       ALA   8   5.249   2.390   8.179
   53   2HB   ALA   8          2HB       ALA   8   3.522   2.620   7.811
   54   3HB   ALA   8          3HB       ALA   8   4.082   2.639   9.500
   55    H    ASN   9           H        ASN   9   5.007  -1.526   9.535
   56    HA   ASN   9           HA       ASN   9   7.491  -1.465   8.425
   57   1HB   ASN   9          1HB       ASN   9   5.759  -3.427   9.755
   58   2HB   ASN   9          2HB       ASN   9   6.719  -4.213   8.516
   59   2HD2  ASN   9          2HD2      ASN   9   8.734  -4.741   8.941
   60   1HD2  ASN   9          1HD2      ASN   9   9.688  -4.202  10.282
   61    H    GLN  10           H        GLN  10   4.514  -3.254   7.303
   62    HA   GLN  10           HA       GLN  10   5.685  -4.207   4.973
   63   1HB   GLN  10          1HB       GLN  10   3.256  -4.563   4.262
   64   2HB   GLN  10          2HB       GLN  10   3.719  -5.299   5.783
   65   1HG   GLN  10          1HG       GLN  10   2.872  -2.667   6.455
   66   2HG   GLN  10          2HG       GLN  10   1.710  -3.237   5.272
   67   2HE2  GLN  10          2HE2      GLN  10   2.724  -3.317   8.480
   68   1HE2  GLN  10          1HE2      GLN  10   1.710  -4.583   9.088
   69    H    CYS  11           H        CYS  11   4.174  -1.115   5.830
   70    HA   CYS  11           HA       CYS  11   4.472  -0.292   3.032
   71   1HB   CYS  11          1HB       CYS  11   2.802   1.336   4.864
   72   2HB   CYS  11          2HB       CYS  11   2.619   1.012   3.151
   73    H    ALA  12           H        ALA  12   6.788  -0.412   4.511
   74    HA   ALA  12           HA       ALA  12   7.173   2.348   5.450
   75   1HB   ALA  12          1HB       ALA  12   9.329   0.739   6.295
   76   2HB   ALA  12          2HB       ALA  12   7.993   1.357   7.295
   77   3HB   ALA  12          3HB       ALA  12   7.874  -0.254   6.548
   78    H    VAL  13           H        VAL  13   7.093   1.942   2.698
   79    HA   VAL  13           HA       VAL  13   9.807   1.481   1.810
   80    HB   VAL  13           HB       VAL  13   7.742   2.514  -0.038
   81   1HG1  VAL  13          1HG1      VAL  13  10.038   0.649  -0.036
   82   2HG1  VAL  13          2HG1      VAL  13   8.669   0.165  -1.065
   83   3HG1  VAL  13          3HG1      VAL  13   9.449   1.747  -1.306
   84   1HG2  VAL  13          1HG2      VAL  13   7.363   0.007   1.582
   85   2HG2  VAL  13          2HG2      VAL  13   6.171   1.236   1.097
   86   3HG2  VAL  13          3HG2      VAL  13   6.793   0.077  -0.103
   87    HA   PRO  14           HA       PRO  14  10.882   5.668   1.825
   88   1HB   PRO  14          1HB       PRO  14  12.944   5.679   0.032
   89   2HB   PRO  14          2HB       PRO  14  13.125   5.164   1.697
   90   1HG   PRO  14          1HG       PRO  14  13.000   3.511  -0.751
   91   2HG   PRO  14          2HG       PRO  14  13.595   3.075   0.839
   92   1HD   PRO  14          1HD       PRO  14  11.080   2.324  -0.318
   93   2HD   PRO  14          2HD       PRO  14  11.626   1.987   1.313
   94    H    ALA  15           H        ALA  15   9.199   4.289  -0.571
   95    HA   ALA  15           HA       ALA  15   7.743   5.355  -1.934
   96   1HB   ALA  15          1HB       ALA  15   9.338   7.878  -2.135
   97   2HB   ALA  15          2HB       ALA  15   7.577   7.644  -2.024
   98   3HB   ALA  15          3HB       ALA  15   8.585   7.515  -0.563
   99    H    LYS  16           H        LYS  16  11.252   5.341  -2.201
  100    HA   LYS  16           HA       LYS  16  11.115   5.507  -5.099
  101   1HB   LYS  16          1HB       LYS  16  13.534   5.602  -5.008
  102   2HB   LYS  16          2HB       LYS  16  12.846   6.778  -3.906
  103   1HG   LYS  16          1HG       LYS  16  14.376   5.840  -2.452
  104   2HG   LYS  16          2HG       LYS  16  13.059   4.720  -2.167
  105   1HD   LYS  16          1HD       LYS  16  14.369   3.016  -2.881
  106   2HD   LYS  16          2HD       LYS  16  14.431   3.743  -4.474
  107   1HE   LYS  16          1HE       LYS  16  16.604   4.337  -4.185
  108   2HE   LYS  16          2HE       LYS  16  16.222   5.200  -2.709
  109   1HZ   LYS  16          1HZ       LYS  16  16.114   2.432  -2.268
  110   2HZ   LYS  16          2HZ       LYS  16  17.557   2.827  -2.925
  111   3HZ   LYS  16          3HZ       LYS  16  17.062   3.549  -1.546
  112    H    ASP  17           H        ASP  17  10.069   3.237  -3.189
  113    HA   ASP  17           HA       ASP  17  11.266   1.151  -4.813
  114   1HB   ASP  17          1HB       ASP  17  11.603   1.482  -1.972
  115   2HB   ASP  17          2HB       ASP  17  10.558   0.095  -2.209
  116    H    ARG  18           H        ARG  18   8.642   2.855  -4.492
  117    HA   ARG  18           HA       ARG  18   6.720   1.005  -3.589
  118   1HB   ARG  18          1HB       ARG  18   6.235   3.443  -5.365
  119   2HB   ARG  18          2HB       ARG  18   5.086   2.684  -4.281
  120   1HG   ARG  18          1HG       ARG  18   7.679   4.021  -3.374
  121   2HG   ARG  18          2HG       ARG  18   6.109   4.799  -3.352
  122   1HD   ARG  18          1HD       ARG  18   5.337   2.729  -1.926
  123   2HD   ARG  18          2HD       ARG  18   7.048   2.427  -1.697
  124    HE   ARG  18           HE       ARG  18   7.065   4.169  -0.154
  125   1HH1  ARG  18          1HH1      ARG  18   4.466   4.754  -2.453
  126   2HH1  ARG  18          2HH1      ARG  18   3.917   6.194  -1.660
  127   1HH2  ARG  18          1HH2      ARG  18   6.342   6.067   0.891
  128   2HH2  ARG  18          2HH2      ARG  18   4.992   6.946   0.255
  129    H    VAL  19           H        VAL  19   5.809  -0.674  -4.744
  130    HA   VAL  19           HA       VAL  19   6.536  -0.956  -7.517
  131    HB   VAL  19           HB       VAL  19   4.910  -2.696  -5.652
  132   1HG1  VAL  19          1HG1      VAL  19   5.937  -3.122  -8.463
  133   2HG1  VAL  19          2HG1      VAL  19   5.581  -4.484  -7.373
  134   3HG1  VAL  19          3HG1      VAL  19   4.289  -3.347  -7.827
  135   1HG2  VAL  19          1HG2      VAL  19   7.718  -2.171  -5.764
  136   2HG2  VAL  19          2HG2      VAL  19   6.840  -3.327  -4.734
  137   3HG2  VAL  19          3HG2      VAL  19   7.439  -3.835  -6.331
  138    H    ASP  20           H        ASP  20   4.089   0.630  -5.769
  139    HA   ASP  20           HA       ASP  20   2.181   1.510  -6.300
  140   1HB   ASP  20          1HB       ASP  20   3.196   2.575  -8.181
  141   2HB   ASP  20          2HB       ASP  20   3.339   1.072  -9.070
  142    H    CYS  21           H        CYS  21   0.405   0.238  -5.722
  143    HA   CYS  21           HA       CYS  21   0.034  -2.334  -6.866
  144   1HB   CYS  21          1HB       CYS  21  -0.756  -1.049  -4.534
  145   2HB   CYS  21          2HB       CYS  21  -2.254  -1.236  -5.424
  146    H    GLY  22           H        GLY  22  -0.603   0.866  -7.870
  147   1HA   GLY  22          1HA       GLY  22  -1.884   0.188 -10.225
  148   2HA   GLY  22          2HA       GLY  22  -1.869   1.777  -9.487
  149    H    TYR  23           H        TYR  23  -3.600   2.416  -8.025
  150    HA   TYR  23           HA       TYR  23  -6.077   1.071  -8.684
  151   1HB   TYR  23          1HB       TYR  23  -4.662   0.372  -6.382
  152   2HB   TYR  23          2HB       TYR  23  -5.596   1.726  -5.775
  153    HD1  TYR  23           HD1      TYR  23  -6.624  -0.842  -8.293
  154    HD2  TYR  23           HD2      TYR  23  -7.166   0.720  -4.347
  155    HE1  TYR  23           HE1      TYR  23  -8.628  -2.370  -7.956
  156    HE2  TYR  23           HE2      TYR  23  -9.168  -0.814  -4.024
  157    HH   TYR  23           HH       TYR  23  -9.983  -3.245  -6.425
  158    HA   PRO  24           HA       PRO  24  -7.398   5.188  -8.461
  159   1HB   PRO  24          1HB       PRO  24 -10.108   4.843  -8.473
  160   2HB   PRO  24          2HB       PRO  24  -9.128   4.783  -9.925
  161   1HG   PRO  24          1HG       PRO  24 -10.368   2.552  -8.433
  162   2HG   PRO  24          2HG       PRO  24  -9.762   2.571 -10.077
  163   1HD   PRO  24          1HD       PRO  24  -8.475   1.421  -7.786
  164   2HD   PRO  24          2HD       PRO  24  -7.818   1.542  -9.407
  165    H    HIS  25           H        HIS  25 -10.088   3.870  -6.681
  166    HA   HIS  25           HA       HIS  25  -9.907   5.832  -4.732
  167   1HB   HIS  25          1HB       HIS  25 -11.470   4.310  -3.457
  168   2HB   HIS  25          2HB       HIS  25 -11.986   4.788  -5.062
  169    HD1  HIS  25           HD1      HIS  25 -13.539   2.661  -5.156
  170    HD2  HIS  25           HD2      HIS  25  -9.435   1.836  -4.890
  171    HE1  HIS  25           HE1      HIS  25 -13.268   0.190  -5.731
  172    HE2  HIS  25           HE2      HIS  25 -10.720  -0.245  -5.604
  173    H    VAL  26           H        VAL  26  -7.680   5.940  -4.058
  174    HA   VAL  26           HA       VAL  26  -6.884   3.666  -2.375
  175    HB   VAL  26           HB       VAL  26  -4.581   4.467  -2.732
  176   1HG1  VAL  26          1HG1      VAL  26  -6.329   3.559  -4.988
  177   2HG1  VAL  26          2HG1      VAL  26  -4.638   3.987  -5.341
  178   3HG1  VAL  26          3HG1      VAL  26  -5.004   2.712  -4.154
  179   1HG2  VAL  26          1HG2      VAL  26  -5.877   6.416  -4.667
  180   2HG2  VAL  26          2HG2      VAL  26  -4.997   6.820  -3.174
  181   3HG2  VAL  26          3HG2      VAL  26  -4.130   6.096  -4.550
  182    H    THR  27           H        THR  27  -7.097   4.031  -0.234
  183    HA   THR  27           HA       THR  27  -6.485   6.716   0.754
  184    HB   THR  27           HB       THR  27  -8.591   6.991   1.772
  185    HG1  THR  27           HG1      THR  27  -9.517   5.175   2.685
  186   1HG2  THR  27          1HG2      THR  27  -9.276   5.107  -0.547
  187   2HG2  THR  27          2HG2      THR  27 -10.398   6.240   0.244
  188   3HG2  THR  27          3HG2      THR  27  -9.028   6.862  -0.708
  189    HA   PRO  28           HA       PRO  28  -4.676   4.639   4.051
  190   1HB   PRO  28          1HB       PRO  28  -5.363   6.039   6.295
  191   2HB   PRO  28          2HB       PRO  28  -4.131   6.576   5.170
  192   1HG   PRO  28          1HG       PRO  28  -6.884   7.592   5.527
  193   2HG   PRO  28          2HG       PRO  28  -5.523   8.363   4.737
  194   1HD   PRO  28          1HD       PRO  28  -7.753   7.088   3.460
  195   2HD   PRO  28          2HD       PRO  28  -6.336   7.756   2.674
  196    H    LYS  29           H        LYS  29  -7.117   3.457   3.182
  197    HA   LYS  29           HA       LYS  29  -7.411   1.613   5.255
  198   1HB   LYS  29          1HB       LYS  29  -8.632   3.763   6.140
  199   2HB   LYS  29          2HB       LYS  29  -9.906   3.275   5.041
  200   1HG   LYS  29          1HG       LYS  29  -8.738   1.151   6.828
  201   2HG   LYS  29          2HG       LYS  29  -9.765   2.356   7.579
  202   1HD   LYS  29          1HD       LYS  29 -11.673   1.673   6.413
  203   2HD   LYS  29          2HD       LYS  29 -10.761   1.101   5.030
  204   1HE   LYS  29          1HE       LYS  29 -10.787  -1.012   5.852
  205   2HE   LYS  29          2HE       LYS  29  -9.965  -0.482   7.306
  206   1HZ   LYS  29          1HZ       LYS  29 -12.249   0.302   8.019
  207   2HZ   LYS  29          2HZ       LYS  29 -12.842  -0.637   6.821
  208   3HZ   LYS  29          3HZ       LYS  29 -11.975  -1.308   8.031
  209    H    GLU  30           H        GLU  30  -8.784   3.294   2.402
  210    HA   GLU  30           HA       GLU  30 -10.207   0.965   1.601
  211   1HB   GLU  30          1HB       GLU  30 -10.486   3.634   1.067
  212   2HB   GLU  30          2HB       GLU  30  -9.653   3.123  -0.388
  213   1HG   GLU  30          1HG       GLU  30 -11.810   2.656  -1.071
  214   2HG   GLU  30          2HG       GLU  30 -11.466   1.127  -0.288
  215    H    CYS  31           H        CYS  31  -7.068   2.526   0.903
  216    HA   CYS  31           HA       CYS  31  -6.527   0.835  -1.327
  217   1HB   CYS  31          1HB       CYS  31  -5.433   2.835  -1.531
  218   2HB   CYS  31          2HB       CYS  31  -5.067   2.952   0.179
  219    H    ASN  32           H        ASN  32  -6.203   0.765   2.188
  220    HA   ASN  32           HA       ASN  32  -4.329  -1.425   2.032
  221   1HB   ASN  32          1HB       ASN  32  -3.782  -0.895   4.219
  222   2HB   ASN  32          2HB       ASN  32  -4.538   0.636   3.823
  223   2HD2  ASN  32          2HD2      ASN  32  -4.296  -1.234   6.262
  224   1HD2  ASN  32          1HD2      ASN  32  -5.893  -1.287   6.929
  225    H    ASN  33           H        ASN  33  -7.578  -1.042   1.607
  226    HA   ASN  33           HA       ASN  33  -8.366  -3.234   3.322
  227   1HB   ASN  33          1HB       ASN  33  -9.963  -1.445   3.386
  228   2HB   ASN  33          2HB       ASN  33  -9.861  -1.170   1.659
  229   2HD2  ASN  33          2HD2      ASN  33 -12.082  -1.316   1.435
  230   1HD2  ASN  33          1HD2      ASN  33 -12.943  -2.818   1.478
  231    H    ARG  34           H        ARG  34  -8.246  -2.139  -0.130
  232    HA   ARG  34           HA       ARG  34  -9.460  -4.279  -1.283
  233   1HB   ARG  34          1HB       ARG  34  -8.391  -2.014  -2.248
  234   2HB   ARG  34          2HB       ARG  34  -7.026  -3.054  -2.604
  235   1HG   ARG  34          1HG       ARG  34  -9.832  -3.156  -3.721
  236   2HG   ARG  34          2HG       ARG  34  -8.303  -3.218  -4.576
  237   1HD   ARG  34          1HD       ARG  34  -7.877  -5.508  -3.666
  238   2HD   ARG  34          2HD       ARG  34  -9.392  -5.447  -2.787
  239    HE   ARG  34           HE       ARG  34 -10.131  -4.902  -5.414
  240   1HH1  ARG  34          1HH1      ARG  34  -8.385  -7.512  -3.827
  241   2HH1  ARG  34          2HH1      ARG  34  -8.881  -8.713  -4.972
  242   1HH2  ARG  34          1HH2      ARG  34 -10.787  -6.485  -6.926
  243   2HH2  ARG  34          2HH2      ARG  34 -10.257  -8.125  -6.747
  244    H    GLY  35           H        GLY  35  -6.134  -3.899  -0.029
  245   1HA   GLY  35          1HA       GLY  35  -5.554  -6.688  -0.830
  246   2HA   GLY  35          2HA       GLY  35  -5.213  -6.063   0.771
  247    H    CYS  36           H        CYS  36  -3.827  -3.936   0.798
  248    HA   CYS  36           HA       CYS  36  -1.401  -4.532  -0.423
  249   1HB   CYS  36          1HB       CYS  36  -3.117  -3.281  -2.225
  250   2HB   CYS  36          2HB       CYS  36  -2.106  -1.978  -1.633
  251    H    CYS  37           H        CYS  37  -0.547  -1.667  -0.591
  252    HA   CYS  37           HA       CYS  37  -0.993  -0.917   2.207
  253   1HB   CYS  37          1HB       CYS  37   1.545  -1.168   0.654
  254   2HB   CYS  37          2HB       CYS  37   1.419   0.128   1.827
  255    H    PHE  38           H        PHE  38  -1.043   1.418   2.588
  256    HA   PHE  38           HA       PHE  38  -1.448   2.940   0.109
  257   1HB   PHE  38          1HB       PHE  38  -3.547   2.585   1.372
  258   2HB   PHE  38          2HB       PHE  38  -2.759   2.980   2.886
  259    HD1  PHE  38           HD1      PHE  38  -3.941   4.409  -0.311
  260    HD2  PHE  38           HD2      PHE  38  -2.601   5.223   3.632
  261    HE1  PHE  38           HE1      PHE  38  -4.660   6.801  -0.561
  262    HE2  PHE  38           HE2      PHE  38  -3.321   7.615   3.382
  263    HZ   PHE  38           HZ       PHE  38  -4.341   8.375   1.289
  264    H    ASP  39           H        ASP  39  -1.325   5.455   0.673
  265    HA   ASP  39           HA       ASP  39   0.306   6.224   2.779
  266   1HB   ASP  39          1HB       ASP  39   2.172   5.171   1.703
  267   2HB   ASP  39          2HB       ASP  39   1.659   5.697   0.111
  268    H    SER  40           H        SER  40   0.526   8.592   2.759
  269    HA   SER  40           HA       SER  40  -0.545   9.882   0.391
  270   1HB   SER  40          1HB       SER  40  -2.013  11.316   1.756
  271   2HB   SER  40          2HB       SER  40  -2.436   9.629   1.965
  272    HG   SER  40           HG       SER  40  -1.103  11.399   3.790
  273    H    ARG  41           H        ARG  41   2.094   9.462   2.106
  274    HA   ARG  41           HA       ARG  41   2.753  11.879   3.225
  275   1HB   ARG  41          1HB       ARG  41   3.979   9.462   3.046
  276   2HB   ARG  41          2HB       ARG  41   4.894  10.298   1.806
  277   1HG   ARG  41          1HG       ARG  41   4.545  11.895   4.283
  278   2HG   ARG  41          2HG       ARG  41   5.417  10.397   4.542
  279   1HD   ARG  41          1HD       ARG  41   7.035  10.979   2.764
  280   2HD   ARG  41          2HD       ARG  41   6.122  12.419   2.360
  281    HE   ARG  41           HE       ARG  41   7.047  13.509   4.220
  282   1HH1  ARG  41          1HH1      ARG  41   7.566  10.042   4.525
  283   2HH1  ARG  41          2HH1      ARG  41   8.609  10.190   5.900
  284   1HH2  ARG  41          1HH2      ARG  41   8.422  13.704   6.034
  285   2HH2  ARG  41          2HH2      ARG  41   9.099  12.287   6.764
  286    H    ILE  42           H        ILE  42   3.389  10.575  -0.109
  287    HA   ILE  42           HA       ILE  42   3.467  13.320  -1.071
  288    HB   ILE  42           HB       ILE  42   5.496  12.206  -2.515
  289   1HG1  ILE  42          1HG1      ILE  42   7.092  11.265  -0.867
  290   2HG1  ILE  42          2HG1      ILE  42   5.829  11.258   0.347
  291   1HG2  ILE  42          1HG2      ILE  42   5.132  14.469  -1.199
  292   2HG2  ILE  42          2HG2      ILE  42   6.191  13.676  -0.008
  293   3HG2  ILE  42          3HG2      ILE  42   6.756  13.920  -1.678
  294   1HD1  ILE  42          1HD1      ILE  42   5.003   9.972  -2.190
  295   2HD1  ILE  42          2HD1      ILE  42   6.377   9.170  -1.392
  296   3HD1  ILE  42          3HD1      ILE  42   4.844   9.390  -0.515
  297    HA   PRO  43           HA       PRO  43   1.072  11.370  -4.106
  298   1HB   PRO  43          1HB       PRO  43   0.774  13.468  -5.831
  299   2HB   PRO  43          2HB       PRO  43  -0.210  13.260  -4.396
  300   1HG   PRO  43          1HG       PRO  43   2.010  15.155  -4.860
  301   2HG   PRO  43          2HG       PRO  43   0.759  15.208  -3.634
  302   1HD   PRO  43          1HD       PRO  43   3.490  14.413  -3.266
  303   2HD   PRO  43          2HD       PRO  43   2.212  14.356  -2.069
  304    H    GLY  44           H        GLY  44   3.953  13.108  -5.047
  305   1HA   GLY  44          1HA       GLY  44   5.633  12.368  -6.386
  306   2HA   GLY  44          2HA       GLY  44   4.366  12.437  -7.594
  307    H    VAL  45           H        VAL  45   4.865  10.188  -4.784
  308    HA   VAL  45           HA       VAL  45   5.428   8.028  -6.625
  309    HB   VAL  45           HB       VAL  45   6.265   6.912  -4.825
  310   1HG1  VAL  45          1HG1      VAL  45   7.082   9.464  -5.057
  311   2HG1  VAL  45          2HG1      VAL  45   6.512   9.499  -3.371
  312   3HG1  VAL  45          3HG1      VAL  45   7.763   8.332  -3.863
  313   1HG2  VAL  45          1HG2      VAL  45   4.267   8.394  -3.090
  314   2HG2  VAL  45          2HG2      VAL  45   4.272   6.666  -3.519
  315   3HG2  VAL  45          3HG2      VAL  45   5.534   7.321  -2.448
  316    HA   PRO  46           HA       PRO  46   1.497   6.234  -6.457
  317   1HB   PRO  46          1HB       PRO  46   1.937   3.552  -6.163
  318   2HB   PRO  46          2HB       PRO  46   2.130   4.393  -7.688
  319   1HG   PRO  46          1HG       PRO  46   4.215   3.403  -5.840
  320   2HG   PRO  46          2HG       PRO  46   4.366   3.850  -7.528
  321   1HD   PRO  46          1HD       PRO  46   5.197   5.399  -5.261
  322   2HD   PRO  46          2HD       PRO  46   5.241   5.894  -6.941
  323    H    TRP  47           H        TRP  47   0.625   7.320  -4.667
  324    HA   TRP  47           HA       TRP  47   0.932   6.955  -2.108
  325   1HB   TRP  47          1HB       TRP  47  -1.531   7.238  -3.748
  326   2HB   TRP  47          2HB       TRP  47  -1.742   6.834  -2.056
  327    HD1  TRP  47           HD1      TRP  47   1.150   9.171  -3.050
  328    HE1  TRP  47           HE1      TRP  47   0.761  11.619  -2.145
  329    HE3  TRP  47           HE3      TRP  47  -3.608   8.383  -1.438
  330    HZ2  TRP  47           HZ2      TRP  47  -1.443  12.922  -0.885
  331    HZ3  TRP  47           HZ3      TRP  47  -4.808  10.296  -0.381
  332    HH2  TRP  47           HH2      TRP  47  -3.801  12.504  -0.094
  333    H    CYS  48           H        CYS  48  -1.106   4.676  -4.091
  334    HA   CYS  48           HA       CYS  48  -0.973   2.763  -1.929
  335   1HB   CYS  48          1HB       CYS  48  -3.055   3.329  -3.334
  336   2HB   CYS  48          2HB       CYS  48  -2.321   2.353  -4.591
  337    H    PHE  49           H        PHE  49   0.635   1.230  -1.861
  338    HA   PHE  49           HA       PHE  49   1.704   0.271  -4.392
  339   1HB   PHE  49          1HB       PHE  49   4.029   0.511  -3.223
  340   2HB   PHE  49          2HB       PHE  49   3.297   2.001  -3.783
  341    HD1  PHE  49           HD1      PHE  49   3.581  -0.127  -0.739
  342    HD2  PHE  49           HD2      PHE  49   3.032   3.777  -2.308
  343    HE1  PHE  49           HE1      PHE  49   3.751   0.827   1.576
  344    HE2  PHE  49           HE2      PHE  49   3.202   4.731   0.008
  345    HZ   PHE  49           HZ       PHE  49   3.559   3.244   1.922
  346    H    LYS  50           H        LYS  50   3.176  -1.697  -4.002
  347    HA   LYS  50           HA       LYS  50   1.770  -3.489  -2.318
  348   1HB   LYS  50          1HB       LYS  50   4.418  -3.951  -3.712
  349   2HB   LYS  50          2HB       LYS  50   3.259  -5.157  -3.190
  350   1HG   LYS  50          1HG       LYS  50   1.559  -4.135  -4.773
  351   2HG   LYS  50          2HG       LYS  50   2.804  -3.045  -5.350
  352   1HD   LYS  50          1HD       LYS  50   3.081  -4.727  -6.914
  353   2HD   LYS  50          2HD       LYS  50   4.168  -5.343  -5.686
  354   1HE   LYS  50          1HE       LYS  50   2.628  -6.982  -4.944
  355   2HE   LYS  50          2HE       LYS  50   1.241  -6.112  -5.570
  356   1HZ   LYS  50          1HZ       LYS  50   2.998  -6.730  -7.660
  357   2HZ   LYS  50          2HZ       LYS  50   2.656  -8.092  -6.826
  358   3HZ   LYS  50          3HZ       LYS  50   1.446  -7.196  -7.458
  359    HA   PRO  51           HA       PRO  51   4.151  -3.309   1.278
  360   1HB   PRO  51          1HB       PRO  51   4.295  -5.903   2.126
  361   2HB   PRO  51          2HB       PRO  51   2.874  -4.900   2.345
  362   1HG   PRO  51          1HG       PRO  51   3.314  -7.094   0.413
  363   2HG   PRO  51          2HG       PRO  51   1.802  -6.379   0.936
  364   1HD   PRO  51          1HD       PRO  51   3.149  -5.916  -1.553
  365   2HD   PRO  51          2HD       PRO  51   1.700  -5.114  -0.981
  366    H    LEU  52           H        LEU  52   6.194  -2.796   1.746
  367    HA   LEU  52           HA       LEU  52   8.239  -3.189   0.113
  368   1HB   LEU  52          1HB       LEU  52   8.604  -1.817   1.933
  369   2HB   LEU  52          2HB       LEU  52   8.087  -3.023   3.095
  370    HG   LEU  52           HG       LEU  52  10.601  -3.431   1.486
  371   1HD1  LEU  52          1HD1      LEU  52  10.134  -1.362   3.488
  372   2HD1  LEU  52          2HD1      LEU  52  11.454  -2.468   3.939
  373   3HD1  LEU  52          3HD1      LEU  52  11.508  -1.606   2.383
  374   1HD2  LEU  52          1HD2      LEU  52   9.420  -4.557   4.006
  375   2HD2  LEU  52          2HD2      LEU  52  10.109  -5.395   2.594
  376   3HD2  LEU  52          3HD2      LEU  52  11.182  -4.578   3.756
  377    H    GLN  53           H        GLN  53   9.692  -4.762  -0.525
  378    HA   GLN  53           HA       GLN  53   8.863  -7.385  -0.308
  379   1HB   GLN  53          1HB       GLN  53  11.127  -5.906  -1.480
  380   2HB   GLN  53          2HB       GLN  53  11.583  -7.516  -0.958
  381   1HG   GLN  53          1HG       GLN  53  10.701  -8.250  -2.923
  382   2HG   GLN  53          2HG       GLN  53   9.131  -7.982  -2.194
  383   2HE2  GLN  53          2HE2      GLN  53   8.801  -5.354  -2.077
  384   1HE2  GLN  53          1HE2      GLN  53   8.833  -4.607  -3.640
  385    H    GLU  54           H        GLU  54   8.539  -7.776   1.993
  386    HA   GLU  54           HA       GLU  54  10.519  -7.431   3.873
  387   1HB   GLU  54          1HB       GLU  54   9.181  -8.985   5.267
  388   2HB   GLU  54          2HB       GLU  54   8.161  -7.817   4.451
  389   1HG   GLU  54          1HG       GLU  54   6.979  -9.516   3.531
  390   2HG   GLU  54          2HG       GLU  54   8.409 -10.018   2.651
  391    H    ALA  55           H        ALA  55  12.583  -8.204   3.470
  392    HA   ALA  55           HA       ALA  55  12.824 -11.104   3.338
  393   1HB   ALA  55          1HB       ALA  55  13.792 -11.177   1.290
  394   2HB   ALA  55          2HB       ALA  55  13.007  -9.600   1.032
  395   3HB   ALA  55          3HB       ALA  55  14.704  -9.673   1.565
  396    H    GLU  56           H        GLU  56  13.756 -11.346   5.341
  397    HA   GLU  56           HA       GLU  56  16.281  -9.955   5.666
  398   1HB   GLU  56          1HB       GLU  56  14.040 -10.085   7.723
  399   2HB   GLU  56          2HB       GLU  56  15.695  -9.706   8.157
  400   1HG   GLU  56          1HG       GLU  56  15.367  -7.961   6.077
  401   2HG   GLU  56          2HG       GLU  56  13.707  -8.066   6.627
  402    H    CYS  57           H        CYS  57  14.061 -12.389   7.220
  403    HA   CYS  57           HA       CYS  57  16.310 -14.247   7.180
  404   1HB   CYS  57          1HB       CYS  57  14.563 -13.680   9.584
  405   2HB   CYS  57          2HB       CYS  57  15.646 -15.051   9.445
  406    H    THR  58           H        THR  58  15.624 -16.467   6.922
  407    HA   THR  58           HA       THR  58  14.307 -18.106   6.200
  408    HB   THR  58           HB       THR  58  12.229 -16.468   7.742
  409    HG1  THR  58           HG1      THR  58  13.517 -17.419   9.278
  410   1HG2  THR  58          1HG2      THR  58  11.201 -18.150   6.092
  411   2HG2  THR  58          2HG2      THR  58  12.115 -19.419   6.942
  412   3HG2  THR  58          3HG2      THR  58  10.868 -18.488   7.808
  413    H    PHE  59           H        PHE  59  12.642 -18.726   4.600
  414    HA   PHE  59           HA       PHE  59  11.811 -18.503   2.569
  415   1HB   PHE  59          1HB       PHE  59  10.301 -17.002   4.139
  416   2HB   PHE  59          2HB       PHE  59  11.125 -15.635   3.416
  417    HD1  PHE  59           HD1      PHE  59  11.242 -15.994   0.659
  418    HD2  PHE  59           HD2      PHE  59   8.201 -17.358   3.286
  419    HE1  PHE  59           HE1      PHE  59   9.606 -16.015  -1.245
  420    HE2  PHE  59           HE2      PHE  59   6.566 -17.379   1.383
  421    HZ   PHE  59           HZ       PHE  59   7.288 -16.708  -0.860

  No H/Q in entry =         421
  Start of MODEL   68
    1    H    GLU   1           H        GLU   1   7.049 -17.439  20.286
    2    HA   GLU   1           HA       GLU   1   7.787 -15.333  20.109
    3   1HB   GLU   1          1HB       GLU   1  10.277 -16.685  19.646
    4   2HB   GLU   1          2HB       GLU   1  10.089 -15.500  18.369
    5   1HG   GLU   1          1HG       GLU   1   9.478 -14.669  21.212
    6   2HG   GLU   1          2HG       GLU   1  11.155 -14.824  20.727
    7    H    GLU   2           H        GLU   2   7.890 -13.713  18.212
    8    HA   GLU   2           HA       GLU   2   7.611 -14.642  15.610
    9   1HB   GLU   2          1HB       GLU   2   5.351 -15.310  16.910
   10   2HB   GLU   2          2HB       GLU   2   4.933 -13.646  16.554
   11   1HG   GLU   2          1HG       GLU   2   4.132 -14.779  14.650
   12   2HG   GLU   2          2HG       GLU   2   5.690 -14.193  14.103
   13    H    TYR   3           H        TYR   3   7.123 -12.830  14.083
   14    HA   TYR   3           HA       TYR   3   7.074 -10.198  15.339
   15   1HB   TYR   3          1HB       TYR   3   9.474 -11.206  14.842
   16   2HB   TYR   3          2HB       TYR   3   9.049 -11.063  13.149
   17    HD1  TYR   3           HD1      TYR   3   9.254  -9.002  16.272
   18    HD2  TYR   3           HD2      TYR   3   9.537  -9.087  12.004
   19    HE1  TYR   3           HE1      TYR   3  10.048  -6.587  16.269
   20    HE2  TYR   3           HE2      TYR   3  10.331  -6.672  12.016
   21    HH   TYR   3           HH       TYR   3  10.922  -4.984  15.068
   22    H    VAL   4           H        VAL   4   5.778  -8.797  14.230
   23    HA   VAL   4           HA       VAL   4   5.472  -9.074  11.389
   24    HB   VAL   4           HB       VAL   4   3.210  -9.696  13.291
   25   1HG1  VAL   4          1HG1      VAL   4   2.472  -8.090  11.553
   26   2HG1  VAL   4          2HG1      VAL   4   3.038  -9.216  10.296
   27   3HG1  VAL   4          3HG1      VAL   4   1.705  -9.686  11.378
   28   1HG2  VAL   4          1HG2      VAL   4   4.661 -11.244  11.140
   29   2HG2  VAL   4          2HG2      VAL   4   4.372 -11.688  12.840
   30   3HG2  VAL   4          3HG2      VAL   4   3.025 -11.696  11.676
   31    H    GLY   5           H        GLY   5   5.260  -7.057  10.537
   32   1HA   GLY   5          1HA       GLY   5   5.678  -4.737  11.199
   33   2HA   GLY   5          2HA       GLY   5   4.412  -4.916  12.397
   34    H    LEU   6           H        LEU   6   2.225  -4.723  11.810
   35    HA   LEU   6           HA       LEU   6   1.740  -4.301   8.946
   36   1HB   LEU   6          1HB       LEU   6  -0.621  -4.820   9.504
   37   2HB   LEU   6          2HB       LEU   6   0.497  -6.155   9.695
   38    HG   LEU   6           HG       LEU   6   0.046  -4.603  12.162
   39   1HD1  LEU   6          1HD1      LEU   6  -2.210  -4.689  10.822
   40   2HD1  LEU   6          2HD1      LEU   6  -2.233  -6.381  11.374
   41   3HD1  LEU   6          3HD1      LEU   6  -2.171  -5.058  12.563
   42   1HD2  LEU   6          1HD2      LEU   6   0.433  -7.429  11.314
   43   2HD2  LEU   6          2HD2      LEU   6   1.182  -6.508  12.641
   44   3HD2  LEU   6          3HD2      LEU   6  -0.472  -7.141  12.820
   45    H    SER   7           H        SER   7   2.572  -2.105   9.077
   46    HA   SER   7           HA       SER   7   0.596  -0.252   9.380
   47   1HB   SER   7          1HB       SER   7   1.408   1.004  11.423
   48   2HB   SER   7          2HB       SER   7   0.627  -0.525  11.775
   49    HG   SER   7           HG       SER   7   2.415  -1.120  12.771
   50    H    ALA   8           H        ALA   8   4.059  -1.098   9.567
   51    HA   ALA   8           HA       ALA   8   4.614   1.103   7.740
   52   1HB   ALA   8          1HB       ALA   8   5.545   2.311   9.404
   53   2HB   ALA   8          2HB       ALA   8   5.455   0.949  10.547
   54   3HB   ALA   8          3HB       ALA   8   6.833   1.083   9.428
   55    H    ASN   9           H        ASN   9   6.301  -1.487   9.666
   56    HA   ASN   9           HA       ASN   9   8.280  -2.116   8.095
   57   1HB   ASN   9          1HB       ASN   9   7.562  -3.391  10.157
   58   2HB   ASN   9          2HB       ASN   9   6.326  -4.197   9.212
   59   2HD2  ASN   9          2HD2      ASN   9   9.238  -4.608  10.520
   60   1HD2  ASN   9          1HD2      ASN   9   9.971  -5.749   9.442
   61    H    GLN  10           H        GLN  10   4.819  -2.656   7.409
   62    HA   GLN  10           HA       GLN  10   5.426  -4.243   5.090
   63   1HB   GLN  10          1HB       GLN  10   3.425  -4.591   6.703
   64   2HB   GLN  10          2HB       GLN  10   2.693  -3.203   5.924
   65   1HG   GLN  10          1HG       GLN  10   2.074  -4.447   4.130
   66   2HG   GLN  10          2HG       GLN  10   3.714  -5.014   3.888
   67   2HE2  GLN  10          2HE2      GLN  10   0.660  -5.576   5.490
   68   1HE2  GLN  10          1HE2      GLN  10   0.896  -7.242   5.898
   69    H    CYS  11           H        CYS  11   3.963  -1.031   5.913
   70    HA   CYS  11           HA       CYS  11   4.323  -0.305   3.099
   71   1HB   CYS  11          1HB       CYS  11   2.629   1.335   4.924
   72   2HB   CYS  11          2HB       CYS  11   2.499   1.077   3.196
   73    H    ALA  12           H        ALA  12   6.630  -0.372   4.624
   74    HA   ALA  12           HA       ALA  12   7.020   2.437   5.400
   75   1HB   ALA  12          1HB       ALA  12   9.028   1.366   6.663
   76   2HB   ALA  12          2HB       ALA  12   7.394   1.145   7.333
   77   3HB   ALA  12          3HB       ALA  12   8.166  -0.172   6.418
   78    H    VAL  13           H        VAL  13   7.020   2.077   2.723
   79    HA   VAL  13           HA       VAL  13   9.734   1.438   1.904
   80    HB   VAL  13           HB       VAL  13   7.781   2.439  -0.061
   81   1HG1  VAL  13          1HG1      VAL  13   9.995   0.522   0.136
   82   2HG1  VAL  13          2HG1      VAL  13   8.619  -0.082  -0.818
   83   3HG1  VAL  13          3HG1      VAL  13   9.404   1.453  -1.261
   84   1HG2  VAL  13          1HG2      VAL  13   7.185   0.068   1.696
   85   2HG2  VAL  13          2HG2      VAL  13   6.093   1.342   1.100
   86   3HG2  VAL  13          3HG2      VAL  13   6.671   0.075  -0.008
   87    HA   PRO  14           HA       PRO  14  10.917   5.590   1.724
   88   1HB   PRO  14          1HB       PRO  14  12.944   5.493  -0.107
   89   2HB   PRO  14          2HB       PRO  14  13.144   5.025   1.570
   90   1HG   PRO  14          1HG       PRO  14  12.932   3.301  -0.822
   91   2HG   PRO  14          2HG       PRO  14  13.546   2.899   0.769
   92   1HD   PRO  14          1HD       PRO  14  10.991   2.178  -0.317
   93   2HD   PRO  14          2HD       PRO  14  11.560   1.877   1.313
   94    H    ALA  15           H        ALA  15   9.110   4.208  -0.553
   95    HA   ALA  15           HA       ALA  15   7.685   5.230  -1.959
   96   1HB   ALA  15          1HB       ALA  15   8.696   7.432  -0.640
   97   2HB   ALA  15          2HB       ALA  15   7.448   7.484  -1.908
   98   3HB   ALA  15          3HB       ALA  15   9.154   7.766  -2.328
   99    H    LYS  16           H        LYS  16  11.203   5.296  -2.255
  100    HA   LYS  16           HA       LYS  16  11.055   5.433  -5.146
  101   1HB   LYS  16          1HB       LYS  16  13.478   5.493  -5.056
  102   2HB   LYS  16          2HB       LYS  16  12.804   6.677  -3.954
  103   1HG   LYS  16          1HG       LYS  16  14.382   5.697  -2.553
  104   2HG   LYS  16          2HG       LYS  16  12.995   4.693  -2.178
  105   1HD   LYS  16          1HD       LYS  16  13.754   2.935  -3.686
  106   2HD   LYS  16          2HD       LYS  16  15.003   3.966  -4.356
  107   1HE   LYS  16          1HE       LYS  16  15.481   3.985  -1.560
  108   2HE   LYS  16          2HE       LYS  16  15.068   2.322  -1.929
  109   1HZ   LYS  16          1HZ       LYS  16  16.741   3.176  -3.932
  110   2HZ   LYS  16          2HZ       LYS  16  17.416   3.705  -2.542
  111   3HZ   LYS  16          3HZ       LYS  16  17.088   2.117  -2.739
  112    H    ASP  17           H        ASP  17  10.178   3.137  -3.045
  113    HA   ASP  17           HA       ASP  17  11.280   1.053  -4.755
  114   1HB   ASP  17          1HB       ASP  17  11.686   1.396  -1.942
  115   2HB   ASP  17          2HB       ASP  17  10.574   0.053  -2.111
  116    H    ARG  18           H        ARG  18   8.676   2.735  -4.537
  117    HA   ARG  18           HA       ARG  18   6.739   0.934  -3.556
  118   1HB   ARG  18          1HB       ARG  18   6.222   3.264  -5.456
  119   2HB   ARG  18          2HB       ARG  18   5.124   2.595  -4.265
  120   1HG   ARG  18          1HG       ARG  18   7.778   3.717  -3.338
  121   2HG   ARG  18          2HG       ARG  18   6.487   4.828  -3.752
  122   1HD   ARG  18          1HD       ARG  18   5.181   2.915  -2.169
  123   2HD   ARG  18          2HD       ARG  18   6.750   3.054  -1.400
  124    HE   ARG  18           HE       ARG  18   5.415   5.610  -2.070
  125   1HH1  ARG  18          1HH1      ARG  18   6.126   3.192   0.385
  126   2HH1  ARG  18          2HH1      ARG  18   5.777   4.250   1.711
  127   1HH2  ARG  18          1HH2      ARG  18   4.954   7.007  -0.321
  128   2HH2  ARG  18          2HH2      ARG  18   5.106   6.435   1.307
  129    H    VAL  19           H        VAL  19   5.607  -0.660  -4.677
  130    HA   VAL  19           HA       VAL  19   6.449  -1.149  -7.402
  131    HB   VAL  19           HB       VAL  19   4.518  -2.774  -5.761
  132   1HG1  VAL  19          1HG1      VAL  19   5.098  -3.149  -8.290
  133   2HG1  VAL  19          2HG1      VAL  19   6.603  -3.846  -7.644
  134   3HG1  VAL  19          3HG1      VAL  19   5.031  -4.537  -7.177
  135   1HG2  VAL  19          1HG2      VAL  19   7.428  -2.359  -5.327
  136   2HG2  VAL  19          2HG2      VAL  19   6.153  -2.853  -4.188
  137   3HG2  VAL  19          3HG2      VAL  19   6.859  -4.045  -5.305
  138    H    ASP  20           H        ASP  20   4.131   0.753  -5.885
  139    HA   ASP  20           HA       ASP  20   2.246   1.654  -6.477
  140   1HB   ASP  20          1HB       ASP  20   3.700   2.347  -8.424
  141   2HB   ASP  20          2HB       ASP  20   3.122   0.958  -9.321
  142    H    CYS  21           H        CYS  21   0.497   0.356  -5.815
  143    HA   CYS  21           HA       CYS  21   0.005  -2.177  -6.943
  144   1HB   CYS  21          1HB       CYS  21  -0.799  -0.794  -4.677
  145   2HB   CYS  21          2HB       CYS  21  -2.276  -0.931  -5.610
  146    H    GLY  22           H        GLY  22  -0.512   1.042  -8.015
  147   1HA   GLY  22          1HA       GLY  22  -1.704   0.359 -10.417
  148   2HA   GLY  22          2HA       GLY  22  -1.691   1.956  -9.696
  149    H    TYR  23           H        TYR  23  -3.397   2.446  -8.000
  150    HA   TYR  23           HA       TYR  23  -5.905   1.239  -8.867
  151   1HB   TYR  23          1HB       TYR  23  -4.593   0.391  -6.581
  152   2HB   TYR  23          2HB       TYR  23  -5.422   1.789  -5.924
  153    HD1  TYR  23           HD1      TYR  23  -6.556  -0.726  -8.466
  154    HD2  TYR  23           HD2      TYR  23  -7.148   0.976  -4.585
  155    HE1  TYR  23           HE1      TYR  23  -8.669  -2.109  -8.173
  156    HE2  TYR  23           HE2      TYR  23  -9.259  -0.413  -4.306
  157    HH   TYR  23           HH       TYR  23 -10.975  -1.461  -6.116
  158    HA   PRO  24           HA       PRO  24  -7.141   5.377  -8.554
  159   1HB   PRO  24          1HB       PRO  24  -9.855   5.089  -8.692
  160   2HB   PRO  24          2HB       PRO  24  -8.816   5.063 -10.103
  161   1HG   PRO  24          1HG       PRO  24 -10.161   2.805  -8.750
  162   2HG   PRO  24          2HG       PRO  24  -9.486   2.872 -10.366
  163   1HD   PRO  24          1HD       PRO  24  -8.319   1.611  -8.069
  164   2HD   PRO  24          2HD       PRO  24  -7.592   1.779  -9.654
  165    H    HIS  25           H        HIS  25  -9.879   3.958  -6.903
  166    HA   HIS  25           HA       HIS  25  -9.753   5.873  -4.880
  167   1HB   HIS  25          1HB       HIS  25 -11.733   5.018  -4.271
  168   2HB   HIS  25          2HB       HIS  25 -11.615   4.118  -5.769
  169    HD1  HIS  25           HD1      HIS  25 -12.204   3.627  -2.253
  170    HD2  HIS  25           HD2      HIS  25 -10.281   1.431  -5.266
  171    HE1  HIS  25           HE1      HIS  25 -12.057   1.225  -1.404
  172    HE2  HIS  25           HE2      HIS  25 -10.915  -0.087  -3.320
  173    H    VAL  26           H        VAL  26  -7.798   6.028  -3.789
  174    HA   VAL  26           HA       VAL  26  -7.070   3.630  -2.259
  175    HB   VAL  26           HB       VAL  26  -4.706   4.426  -2.469
  176   1HG1  VAL  26          1HG1      VAL  26  -6.340   3.341  -4.732
  177   2HG1  VAL  26          2HG1      VAL  26  -4.633   3.747  -5.034
  178   3HG1  VAL  26          3HG1      VAL  26  -5.057   2.567  -3.771
  179   1HG2  VAL  26          1HG2      VAL  26  -5.902   6.688  -3.626
  180   2HG2  VAL  26          2HG2      VAL  26  -4.164   6.323  -3.514
  181   3HG2  VAL  26          3HG2      VAL  26  -5.081   5.854  -4.966
  182    H    THR  27           H        THR  27  -7.141   3.952  -0.094
  183    HA   THR  27           HA       THR  27  -6.641   6.658   0.901
  184    HB   THR  27           HB       THR  27  -8.747   6.856   1.892
  185    HG1  THR  27           HG1      THR  27  -9.608   5.027   2.894
  186   1HG2  THR  27          1HG2      THR  27  -9.386   4.749  -0.240
  187   2HG2  THR  27          2HG2      THR  27 -10.545   5.885   0.493
  188   3HG2  THR  27          3HG2      THR  27  -9.245   6.495  -0.560
  189    HA   PRO  28           HA       PRO  28  -4.649   4.656   4.138
  190   1HB   PRO  28          1HB       PRO  28  -5.353   6.005   6.408
  191   2HB   PRO  28          2HB       PRO  28  -4.177   6.611   5.259
  192   1HG   PRO  28          1HG       PRO  28  -6.969   7.482   5.688
  193   2HG   PRO  28          2HG       PRO  28  -5.669   8.327   4.872
  194   1HD   PRO  28          1HD       PRO  28  -7.860   6.947   3.638
  195   2HD   PRO  28          2HD       PRO  28  -6.499   7.692   2.824
  196    H    LYS  29           H        LYS  29  -6.979   3.302   3.312
  197    HA   LYS  29           HA       LYS  29  -7.150   1.456   5.383
  198   1HB   LYS  29          1HB       LYS  29  -8.467   3.518   6.317
  199   2HB   LYS  29          2HB       LYS  29  -9.733   2.989   5.228
  200   1HG   LYS  29          1HG       LYS  29  -8.597   0.723   6.716
  201   2HG   LYS  29          2HG       LYS  29  -9.184   1.965   7.805
  202   1HD   LYS  29          1HD       LYS  29 -10.859   0.937   5.475
  203   2HD   LYS  29          2HD       LYS  29 -10.886   0.165   7.048
  204   1HE   LYS  29          1HE       LYS  29 -12.600   1.659   7.430
  205   2HE   LYS  29          2HE       LYS  29 -11.279   2.729   7.854
  206   1HZ   LYS  29          1HZ       LYS  29 -11.698   2.745   5.078
  207   2HZ   LYS  29          2HZ       LYS  29 -13.097   3.085   5.850
  208   3HZ   LYS  29          3HZ       LYS  29 -11.767   3.990   6.133
  209    H    GLU  30           H        GLU  30  -8.921   3.077   2.683
  210    HA   GLU  30           HA       GLU  30 -10.145   0.679   1.870
  211   1HB   GLU  30          1HB       GLU  30 -10.169   3.480   1.114
  212   2HB   GLU  30          2HB       GLU  30 -10.010   2.499  -0.330
  213   1HG   GLU  30          1HG       GLU  30 -12.356   2.641  -0.017
  214   2HG   GLU  30          2HG       GLU  30 -11.955   1.062   0.629
  215    H    CYS  31           H        CYS  31  -7.142   2.438   0.998
  216    HA   CYS  31           HA       CYS  31  -6.578   0.800  -1.239
  217   1HB   CYS  31          1HB       CYS  31  -5.531   2.824  -1.404
  218   2HB   CYS  31          2HB       CYS  31  -5.155   2.910   0.305
  219    H    ASN  32           H        ASN  32  -6.077   0.674   2.274
  220    HA   ASN  32           HA       ASN  32  -4.198  -1.490   1.985
  221   1HB   ASN  32          1HB       ASN  32  -3.525  -0.912   4.106
  222   2HB   ASN  32          2HB       ASN  32  -4.493   0.531   3.875
  223   2HD2  ASN  32          2HD2      ASN  32  -3.833  -1.673   6.049
  224   1HD2  ASN  32          1HD2      ASN  32  -5.343  -1.884   6.869
  225    H    ASN  33           H        ASN  33  -7.469  -1.160   1.697
  226    HA   ASN  33           HA       ASN  33  -8.123  -3.448   3.352
  227   1HB   ASN  33          1HB       ASN  33  -9.685  -1.597   3.594
  228   2HB   ASN  33          2HB       ASN  33  -9.805  -1.380   1.859
  229   2HD2  ASN  33          2HD2      ASN  33 -11.178  -2.577   0.670
  230   1HD2  ASN  33          1HD2      ASN  33 -12.288  -3.746   1.303
  231    H    ARG  34           H        ARG  34  -8.096  -2.162  -0.018
  232    HA   ARG  34           HA       ARG  34  -9.405  -4.263  -1.216
  233   1HB   ARG  34          1HB       ARG  34  -8.497  -1.896  -2.106
  234   2HB   ARG  34          2HB       ARG  34  -7.132  -2.858  -2.638
  235   1HG   ARG  34          1HG       ARG  34  -9.903  -3.871  -3.273
  236   2HG   ARG  34          2HG       ARG  34  -9.301  -2.504  -4.190
  237   1HD   ARG  34          1HD       ARG  34  -7.110  -4.064  -4.401
  238   2HD   ARG  34          2HD       ARG  34  -8.275  -5.341  -4.114
  239    HE   ARG  34           HE       ARG  34  -9.408  -3.657  -6.087
  240   1HH1  ARG  34          1HH1      ARG  34  -6.595  -5.743  -5.743
  241   2HH1  ARG  34          2HH1      ARG  34  -6.503  -6.112  -7.433
  242   1HH2  ARG  34          1HH2      ARG  34  -9.288  -4.144  -8.316
  243   2HH2  ARG  34          2HH2      ARG  34  -8.045  -5.197  -8.906
  244    H    GLY  35           H        GLY  35  -6.168  -3.980   0.117
  245   1HA   GLY  35          1HA       GLY  35  -5.483  -6.624  -1.022
  246   2HA   GLY  35          2HA       GLY  35  -5.079  -6.096   0.599
  247    H    CYS  36           H        CYS  36  -3.684  -4.036   0.768
  248    HA   CYS  36           HA       CYS  36  -1.328  -4.432  -0.592
  249   1HB   CYS  36          1HB       CYS  36  -3.123  -3.214  -2.314
  250   2HB   CYS  36          2HB       CYS  36  -2.202  -1.863  -1.683
  251    H    CYS  37           H        CYS  37  -0.601  -1.519  -0.687
  252    HA   CYS  37           HA       CYS  37  -1.011  -0.862   2.138
  253   1HB   CYS  37          1HB       CYS  37   1.532  -1.051   0.580
  254   2HB   CYS  37          2HB       CYS  37   1.392   0.200   1.799
  255    H    PHE  38           H        PHE  38  -1.126   1.450   2.567
  256    HA   PHE  38           HA       PHE  38  -1.562   3.016   0.122
  257   1HB   PHE  38          1HB       PHE  38  -3.607   2.636   1.478
  258   2HB   PHE  38          2HB       PHE  38  -2.757   3.053   2.953
  259    HD1  PHE  38           HD1      PHE  38  -4.102   4.434  -0.199
  260    HD2  PHE  38           HD2      PHE  38  -2.570   5.309   3.660
  261    HE1  PHE  38           HE1      PHE  38  -4.850   6.817  -0.443
  262    HE2  PHE  38           HE2      PHE  38  -3.318   7.693   3.416
  263    HZ   PHE  38           HZ       PHE  38  -4.448   8.418   1.367
  264    H    ASP  39           H        ASP  39  -1.418   5.527   0.721
  265    HA   ASP  39           HA       ASP  39   0.215   6.339   2.766
  266   1HB   ASP  39          1HB       ASP  39   2.045   5.103   1.742
  267   2HB   ASP  39          2HB       ASP  39   1.663   5.735   0.153
  268    H    SER  40           H        SER  40   0.445   8.688   2.660
  269    HA   SER  40           HA       SER  40  -0.393   9.901   0.167
  270   1HB   SER  40          1HB       SER  40  -2.003  11.368   1.304
  271   2HB   SER  40          2HB       SER  40  -2.441   9.689   1.550
  272    HG   SER  40           HG       SER  40  -2.444  10.181   3.631
  273    H    ARG  41           H        ARG  41   2.122   9.535   1.932
  274    HA   ARG  41           HA       ARG  41   2.633  12.026   3.086
  275   1HB   ARG  41          1HB       ARG  41   3.842   9.546   3.142
  276   2HB   ARG  41          2HB       ARG  41   4.960  10.415   2.110
  277   1HG   ARG  41          1HG       ARG  41   5.117  12.231   3.851
  278   2HG   ARG  41          2HG       ARG  41   4.053  11.303   4.890
  279   1HD   ARG  41          1HD       ARG  41   5.771   9.990   5.598
  280   2HD   ARG  41          2HD       ARG  41   6.229   9.600   3.952
  281    HE   ARG  41           HE       ARG  41   7.404  11.686   5.646
  282   1HH1  ARG  41          1HH1      ARG  41   6.942  10.566   2.342
  283   2HH1  ARG  41          2HH1      ARG  41   8.316  11.421   1.725
  284   1HH2  ARG  41          1HH2      ARG  41   9.217  12.814   4.832
  285   2HH2  ARG  41          2HH2      ARG  41   9.619  12.708   3.150
  286    H    ILE  42           H        ILE  42   3.058  10.620  -0.165
  287    HA   ILE  42           HA       ILE  42   3.618  13.247  -1.202
  288    HB   ILE  42           HB       ILE  42   5.581  11.885  -2.510
  289   1HG1  ILE  42          1HG1      ILE  42   7.000  10.843  -0.758
  290   2HG1  ILE  42          2HG1      ILE  42   5.681  10.991   0.387
  291   1HG2  ILE  42          1HG2      ILE  42   5.417  13.952  -0.414
  292   2HG2  ILE  42          2HG2      ILE  42   6.998  13.148  -0.557
  293   3HG2  ILE  42          3HG2      ILE  42   6.277  13.950  -1.973
  294   1HD1  ILE  42          1HD1      ILE  42   5.052   9.670  -2.237
  295   2HD1  ILE  42          2HD1      ILE  42   6.055   8.762  -1.080
  296   3HD1  ILE  42          3HD1      ILE  42   4.429   9.313  -0.608
  297    HA   PRO  43           HA       PRO  43   1.097  11.339  -4.181
  298   1HB   PRO  43          1HB       PRO  43   0.779  13.485  -5.843
  299   2HB   PRO  43          2HB       PRO  43  -0.192  13.234  -4.406
  300   1HG   PRO  43          1HG       PRO  43   2.021  15.146  -4.837
  301   2HG   PRO  43          2HG       PRO  43   0.781  15.162  -3.599
  302   1HD   PRO  43          1HD       PRO  43   3.517  14.362  -3.278
  303   2HD   PRO  43          2HD       PRO  43   2.249  14.270  -2.071
  304    H    GLY  44           H        GLY  44   3.946  13.135  -5.124
  305   1HA   GLY  44          1HA       GLY  44   5.598  12.510  -6.539
  306   2HA   GLY  44          2HA       GLY  44   4.291  12.448  -7.704
  307    H    VAL  45           H        VAL  45   4.353  10.259  -4.894
  308    HA   VAL  45           HA       VAL  45   5.263   8.097  -6.651
  309    HB   VAL  45           HB       VAL  45   6.215   7.118  -4.855
  310   1HG1  VAL  45          1HG1      VAL  45   6.015  10.011  -3.958
  311   2HG1  VAL  45          2HG1      VAL  45   7.119   8.810  -3.246
  312   3HG1  VAL  45          3HG1      VAL  45   7.291   9.273  -4.957
  313   1HG2  VAL  45          1HG2      VAL  45   3.937   8.259  -3.232
  314   2HG2  VAL  45          2HG2      VAL  45   4.344   6.555  -3.551
  315   3HG2  VAL  45          3HG2      VAL  45   5.362   7.524  -2.458
  316    HA   PRO  46           HA       PRO  46   1.403   6.162  -6.417
  317   1HB   PRO  46          1HB       PRO  46   1.938   3.511  -6.026
  318   2HB   PRO  46          2HB       PRO  46   2.104   4.303  -7.581
  319   1HG   PRO  46          1HG       PRO  46   4.219   3.455  -5.697
  320   2HG   PRO  46          2HG       PRO  46   4.357   3.847  -7.400
  321   1HD   PRO  46          1HD       PRO  46   5.127   5.504  -5.189
  322   2HD   PRO  46          2HD       PRO  46   5.157   5.940  -6.886
  323    H    TRP  47           H        TRP  47   0.476   7.272  -4.674
  324    HA   TRP  47           HA       TRP  47   0.820   6.960  -2.089
  325   1HB   TRP  47          1HB       TRP  47  -1.649   7.244  -3.729
  326   2HB   TRP  47          2HB       TRP  47  -1.846   6.899  -2.022
  327    HD1  TRP  47           HD1      TRP  47   1.064   9.160  -3.140
  328    HE1  TRP  47           HE1      TRP  47   0.727  11.640  -2.304
  329    HE3  TRP  47           HE3      TRP  47  -3.670   8.490  -1.409
  330    HZ2  TRP  47           HZ2      TRP  47  -1.433  13.013  -1.041
  331    HZ3  TRP  47           HZ3      TRP  47  -4.822  10.451  -0.389
  332    HH2  TRP  47           HH2      TRP  47  -3.780  12.653  -0.190
  333    H    CYS  48           H        CYS  48  -1.167   4.665  -4.097
  334    HA   CYS  48           HA       CYS  48  -1.080   2.778  -1.897
  335   1HB   CYS  48          1HB       CYS  48  -3.178   3.360  -3.256
  336   2HB   CYS  48          2HB       CYS  48  -2.478   2.393  -4.539
  337    H    PHE  49           H        PHE  49   0.715   1.469  -1.819
  338    HA   PHE  49           HA       PHE  49   1.690   0.428  -4.378
  339   1HB   PHE  49          1HB       PHE  49   4.002   0.605  -3.165
  340   2HB   PHE  49          2HB       PHE  49   3.302   2.115  -3.713
  341    HD1  PHE  49           HD1      PHE  49   3.447  -0.070  -0.696
  342    HD2  PHE  49           HD2      PHE  49   3.091   3.875  -2.218
  343    HE1  PHE  49           HE1      PHE  49   3.590   0.844   1.638
  344    HE2  PHE  49           HE2      PHE  49   3.234   4.789   0.115
  345    HZ   PHE  49           HZ       PHE  49   3.482   3.262   2.015
  346    H    LYS  50           H        LYS  50   3.148  -1.562  -4.012
  347    HA   LYS  50           HA       LYS  50   1.693  -3.395  -2.425
  348   1HB   LYS  50          1HB       LYS  50   4.283  -3.617  -3.981
  349   2HB   LYS  50          2HB       LYS  50   3.534  -4.968  -3.155
  350   1HG   LYS  50          1HG       LYS  50   1.374  -3.968  -4.547
  351   2HG   LYS  50          2HG       LYS  50   2.679  -3.555  -5.641
  352   1HD   LYS  50          1HD       LYS  50   3.267  -6.197  -4.821
  353   2HD   LYS  50          2HD       LYS  50   1.527  -6.189  -5.034
  354   1HE   LYS  50          1HE       LYS  50   2.590  -4.734  -7.252
  355   2HE   LYS  50          2HE       LYS  50   3.618  -6.141  -7.066
  356   1HZ   LYS  50          1HZ       LYS  50   0.806  -6.657  -6.823
  357   2HZ   LYS  50          2HZ       LYS  50   1.287  -6.173  -8.307
  358   3HZ   LYS  50          3HZ       LYS  50   1.955  -7.497  -7.623
  359    HA   PRO  51           HA       PRO  51   3.914  -3.288   1.273
  360   1HB   PRO  51          1HB       PRO  51   3.963  -5.895   2.091
  361   2HB   PRO  51          2HB       PRO  51   2.558  -4.863   2.264
  362   1HG   PRO  51          1HG       PRO  51   3.029  -7.042   0.322
  363   2HG   PRO  51          2HG       PRO  51   1.513  -6.298   0.791
  364   1HD   PRO  51          1HD       PRO  51   2.975  -5.834  -1.633
  365   2HD   PRO  51          2HD       PRO  51   1.521  -5.007  -1.111
  366    H    LEU  52           H        LEU  52   5.949  -2.753   1.724
  367    HA   LEU  52           HA       LEU  52   8.039  -3.244   0.185
  368   1HB   LEU  52          1HB       LEU  52   8.300  -1.806   2.001
  369   2HB   LEU  52          2HB       LEU  52   7.836  -3.025   3.170
  370    HG   LEU  52           HG       LEU  52  10.389  -3.175   1.552
  371   1HD1  LEU  52          1HD1      LEU  52   9.891  -1.192   3.350
  372   2HD1  LEU  52          2HD1      LEU  52  10.590  -2.446   4.402
  373   3HD1  LEU  52          3HD1      LEU  52  11.502  -1.859   2.990
  374   1HD2  LEU  52          1HD2      LEU  52   9.051  -4.998   3.316
  375   2HD2  LEU  52          2HD2      LEU  52  10.574  -5.207   2.419
  376   3HD2  LEU  52          3HD2      LEU  52  10.592  -4.493   4.049
  377    H    GLN  53           H        GLN  53   9.393  -4.886  -0.432
  378    HA   GLN  53           HA       GLN  53   8.527  -7.490   0.031
  379   1HB   GLN  53          1HB       GLN  53  10.794  -6.162  -1.386
  380   2HB   GLN  53          2HB       GLN  53  11.070  -7.831  -0.929
  381   1HG   GLN  53          1HG       GLN  53   9.882  -8.448  -2.761
  382   2HG   GLN  53          2HG       GLN  53   8.445  -7.845  -1.958
  383   2HE2  GLN  53          2HE2      GLN  53   8.377  -5.309  -1.983
  384   1HE2  GLN  53          1HE2      GLN  53   8.573  -4.580  -3.542
  385    H    GLU  54           H        GLU  54   8.455  -7.401   2.466
  386    HA   GLU  54           HA       GLU  54  10.553  -7.003   4.089
  387   1HB   GLU  54          1HB       GLU  54   9.334  -8.156   5.741
  388   2HB   GLU  54          2HB       GLU  54   8.089  -7.671   4.607
  389   1HG   GLU  54          1HG       GLU  54   8.387  -9.967   3.477
  390   2HG   GLU  54          2HG       GLU  54   9.394 -10.418   4.838
  391    H    ALA  55           H        ALA  55  12.597  -7.818   4.154
  392    HA   ALA  55           HA       ALA  55  12.960 -10.670   3.864
  393   1HB   ALA  55          1HB       ALA  55  13.586 -10.575   1.706
  394   2HB   ALA  55          2HB       ALA  55  14.975  -9.585   2.215
  395   3HB   ALA  55          3HB       ALA  55  13.465  -8.799   1.694
  396    H    GLU  56           H        GLU  56  14.985  -7.653   3.683
  397    HA   GLU  56           HA       GLU  56  16.425  -8.720   5.979
  398   1HB   GLU  56          1HB       GLU  56  17.562  -8.193   3.661
  399   2HB   GLU  56          2HB       GLU  56  17.474  -6.522   4.179
  400   1HG   GLU  56          1HG       GLU  56  18.816  -6.964   6.152
  401   2HG   GLU  56          2HG       GLU  56  18.687  -8.698   5.935
  402    H    CYS  57           H        CYS  57  17.178  -7.137   7.636
  403    HA   CYS  57           HA       CYS  57  15.084  -5.474   8.430
  404   1HB   CYS  57          1HB       CYS  57  17.944  -5.728   9.361
  405   2HB   CYS  57          2HB       CYS  57  16.802  -4.627  10.106
  406    H    THR  58           H        THR  58  18.481  -4.668   7.370
  407    HA   THR  58           HA       THR  58  17.575  -2.551   5.696
  408    HB   THR  58           HB       THR  58  17.244  -1.424   7.868
  409    HG1  THR  58           HG1      THR  58  19.833  -0.754   6.662
  410   1HG2  THR  58          1HG2      THR  58  18.907  -2.820   9.201
  411   2HG2  THR  58          2HG2      THR  58  20.218  -1.976   8.344
  412   3HG2  THR  58          3HG2      THR  58  19.123  -1.066   9.412
  413    H    PHE  59           H        PHE  59  20.339  -3.831   7.650
  414    HA   PHE  59           HA       PHE  59  21.835  -3.945   5.150
  415   1HB   PHE  59          1HB       PHE  59  22.224  -1.827   6.729
  416   2HB   PHE  59          2HB       PHE  59  23.025  -2.964   7.795
  417    HD1  PHE  59           HD1      PHE  59  24.741  -4.575   6.373
  418    HD2  PHE  59           HD2      PHE  59  23.633  -0.595   5.401
  419    HE1  PHE  59           HE1      PHE  59  26.867  -4.301   5.068
  420    HE2  PHE  59           HE2      PHE  59  25.760  -0.322   4.096
  421    HZ   PHE  59           HZ       PHE  59  27.351  -2.178   3.945

  No H/Q in entry =         421
  Start of MODEL   69
    1    H    GLU   1           H        GLU   1   5.260  -7.167  22.142
    2    HA   GLU   1           HA       GLU   1   5.163  -5.505  19.745
    3   1HB   GLU   1          1HB       GLU   1   6.971  -5.418  21.948
    4   2HB   GLU   1          2HB       GLU   1   7.877  -6.095  20.609
    5   1HG   GLU   1          1HG       GLU   1   6.925  -4.150  19.178
    6   2HG   GLU   1          2HG       GLU   1   6.392  -3.435  20.686
    7    H    GLU   2           H        GLU   2   7.384  -6.369  18.368
    8    HA   GLU   2           HA       GLU   2   8.300  -7.998  17.232
    9   1HB   GLU   2          1HB       GLU   2   7.639  -9.359  19.613
   10   2HB   GLU   2          2HB       GLU   2   6.992 -10.377  18.341
   11   1HG   GLU   2          1HG       GLU   2   9.075 -10.911  17.513
   12   2HG   GLU   2          2HG       GLU   2   9.717  -9.304  17.790
   13    H    TYR   3           H        TYR   3   4.978  -9.193  18.141
   14    HA   TYR   3           HA       TYR   3   4.447  -9.969  15.443
   15   1HB   TYR   3          1HB       TYR   3   3.567 -11.036  17.593
   16   2HB   TYR   3          2HB       TYR   3   2.714  -9.550  17.959
   17    HD1  TYR   3           HD1      TYR   3   2.787 -12.528  15.790
   18    HD2  TYR   3           HD2      TYR   3   0.655  -8.959  16.799
   19    HE1  TYR   3           HE1      TYR   3   0.760 -13.367  14.506
   20    HE2  TYR   3           HE2      TYR   3  -1.365  -9.810  15.512
   21    HH   TYR   3           HH       TYR   3  -2.047 -12.608  14.879
   22    H    VAL   4           H        VAL   4   4.303  -8.335  13.939
   23    HA   VAL   4           HA       VAL   4   2.024  -6.709  13.968
   24    HB   VAL   4           HB       VAL   4   3.058  -5.378  15.618
   25   1HG1  VAL   4          1HG1      VAL   4   5.476  -6.329  14.557
   26   2HG1  VAL   4          2HG1      VAL   4   5.516  -4.567  14.304
   27   3HG1  VAL   4          3HG1      VAL   4   5.263  -5.225  15.938
   28   1HG2  VAL   4          1HG2      VAL   4   2.091  -4.239  13.533
   29   2HG2  VAL   4          2HG2      VAL   4   3.139  -3.258  14.585
   30   3HG2  VAL   4          3HG2      VAL   4   3.779  -3.926  13.065
   31    H    GLY   5           H        GLY   5   1.611  -7.225  11.860
   32   1HA   GLY   5          1HA       GLY   5   2.358  -7.904   9.718
   33   2HA   GLY   5          2HA       GLY   5   3.828  -6.977   9.935
   34    H    LEU   6           H        LEU   6   1.085  -5.303  11.187
   35    HA   LEU   6           HA       LEU   6   1.016  -3.673   8.749
   36   1HB   LEU   6          1HB       LEU   6  -1.411  -3.299   9.239
   37   2HB   LEU   6          2HB       LEU   6  -0.977  -4.880   8.619
   38    HG   LEU   6           HG       LEU   6  -1.203  -4.514  11.586
   39   1HD1  LEU   6          1HD1      LEU   6  -3.372  -4.049   9.702
   40   2HD1  LEU   6          2HD1      LEU   6  -3.719  -5.401  10.805
   41   3HD1  LEU   6          3HD1      LEU   6  -3.307  -3.800  11.463
   42   1HD2  LEU   6          1HD2      LEU   6  -0.365  -6.630  10.680
   43   2HD2  LEU   6          2HD2      LEU   6  -1.925  -6.844  11.510
   44   3HD2  LEU   6          3HD2      LEU   6  -1.858  -6.821   9.731
   45    H    SER   7           H        SER   7   2.028  -1.808   9.274
   46    HA   SER   7           HA       SER   7   0.962  -0.106  11.141
   47   1HB   SER   7          1HB       SER   7   2.234  -0.266  13.071
   48   2HB   SER   7          2HB       SER   7   2.180  -1.958  12.616
   49    HG   SER   7           HG       SER   7   4.278  -1.862  11.825
   50    H    ALA   8           H        ALA   8   3.847  -1.302   9.384
   51    HA   ALA   8           HA       ALA   8   4.166   0.980   7.878
   52   1HB   ALA   8          1HB       ALA   8   4.955   1.506  10.499
   53   2HB   ALA   8          2HB       ALA   8   5.435   2.428   9.055
   54   3HB   ALA   8          3HB       ALA   8   6.484   1.129   9.671
   55    H    ASN   9           H        ASN   9   6.096  -1.454   9.761
   56    HA   ASN   9           HA       ASN   9   8.158  -1.898   8.239
   57   1HB   ASN   9          1HB       ASN   9   6.618  -3.466  10.054
   58   2HB   ASN   9          2HB       ASN   9   6.852  -4.498   8.657
   59   2HD2  ASN   9          2HD2      ASN   9   8.893  -5.142   8.036
   60   1HD2  ASN   9          1HD2      ASN   9  10.289  -5.002   9.051
   61    H    GLN  10           H        GLN  10   4.761  -2.795   7.461
   62    HA   GLN  10           HA       GLN  10   5.508  -4.205   5.109
   63   1HB   GLN  10          1HB       GLN  10   3.340  -4.344   6.713
   64   2HB   GLN  10          2HB       GLN  10   2.700  -3.222   5.529
   65   1HG   GLN  10          1HG       GLN  10   2.206  -5.045   4.262
   66   2HG   GLN  10          2HG       GLN  10   3.921  -5.145   3.919
   67   2HE2  GLN  10          2HE2      GLN  10   1.566  -7.064   4.489
   68   1HE2  GLN  10          1HE2      GLN  10   2.223  -8.243   5.575
   69    H    CYS  11           H        CYS  11   3.881  -1.045   5.855
   70    HA   CYS  11           HA       CYS  11   4.387  -0.279   3.080
   71   1HB   CYS  11          1HB       CYS  11   2.687   1.402   4.847
   72   2HB   CYS  11          2HB       CYS  11   2.561   1.082   3.128
   73    H    ALA  12           H        ALA  12   6.657  -0.387   4.660
   74    HA   ALA  12           HA       ALA  12   7.051   2.388   5.540
   75   1HB   ALA  12          1HB       ALA  12   9.182   1.077   6.548
   76   2HB   ALA  12          2HB       ALA  12   7.624   1.177   7.403
   77   3HB   ALA  12          3HB       ALA  12   8.032  -0.279   6.465
   78    H    VAL  13           H        VAL  13   6.971   1.927   2.778
   79    HA   VAL  13           HA       VAL  13   9.689   1.491   1.899
   80    HB   VAL  13           HB       VAL  13   7.620   2.494   0.040
   81   1HG1  VAL  13          1HG1      VAL  13   9.929   0.645   0.062
   82   2HG1  VAL  13          2HG1      VAL  13   8.564   0.141  -0.963
   83   3HG1  VAL  13          3HG1      VAL  13   9.332   1.726  -1.220
   84   1HG2  VAL  13          1HG2      VAL  13   7.229   0.045   1.726
   85   2HG2  VAL  13          2HG2      VAL  13   6.035   1.217   1.119
   86   3HG2  VAL  13          3HG2      VAL  13   6.732   0.005   0.017
   87    HA   PRO  14           HA       PRO  14  10.729   5.689   1.901
   88   1HB   PRO  14          1HB       PRO  14  12.834   5.688   0.158
   89   2HB   PRO  14          2HB       PRO  14  12.978   5.201   1.835
   90   1HG   PRO  14          1HG       PRO  14  12.926   3.509  -0.589
   91   2HG   PRO  14          2HG       PRO  14  13.485   3.103   1.021
   92   1HD   PRO  14          1HD       PRO  14  11.005   2.314  -0.185
   93   2HD   PRO  14          2HD       PRO  14  11.513   2.006   1.464
   94    H    ALA  15           H        ALA  15   9.090   4.272  -0.491
   95    HA   ALA  15           HA       ALA  15   7.669   5.301  -1.913
   96   1HB   ALA  15          1HB       ALA  15   9.223   7.837  -2.146
   97   2HB   ALA  15          2HB       ALA  15   7.468   7.579  -2.003
   98   3HB   ALA  15          3HB       ALA  15   8.501   7.492  -0.556
   99    H    LYS  16           H        LYS  16  11.136   5.099  -2.078
  100    HA   LYS  16           HA       LYS  16  11.114   5.343  -4.980
  101   1HB   LYS  16          1HB       LYS  16  13.563   5.240  -4.769
  102   2HB   LYS  16          2HB       LYS  16  12.867   6.538  -3.820
  103   1HG   LYS  16          1HG       LYS  16  14.544   5.399  -2.459
  104   2HG   LYS  16          2HG       LYS  16  12.963   5.076  -1.777
  105   1HD   LYS  16          1HD       LYS  16  12.941   2.836  -2.517
  106   2HD   LYS  16          2HD       LYS  16  14.073   3.143  -3.820
  107   1HE   LYS  16          1HE       LYS  16  15.477   3.800  -1.429
  108   2HE   LYS  16          2HE       LYS  16  14.617   2.316  -1.070
  109   1HZ   LYS  16          1HZ       LYS  16  15.540   1.713  -3.434
  110   2HZ   LYS  16          2HZ       LYS  16  16.696   2.788  -3.016
  111   3HZ   LYS  16          3HZ       LYS  16  16.423   1.478  -2.080
  112    H    ASP  17           H        ASP  17  10.006   3.083  -3.013
  113    HA   ASP  17           HA       ASP  17  11.114   0.969  -4.672
  114   1HB   ASP  17          1HB       ASP  17  11.391   1.270  -1.808
  115   2HB   ASP  17          2HB       ASP  17  10.350  -0.108  -2.107
  116    H    ARG  18           H        ARG  18   8.559   2.754  -4.426
  117    HA   ARG  18           HA       ARG  18   6.552   0.988  -3.528
  118   1HB   ARG  18          1HB       ARG  18   6.185   3.420  -5.340
  119   2HB   ARG  18          2HB       ARG  18   4.994   2.719  -4.262
  120   1HG   ARG  18          1HG       ARG  18   7.617   4.000  -3.358
  121   2HG   ARG  18          2HG       ARG  18   6.057   4.796  -3.327
  122   1HD   ARG  18          1HD       ARG  18   5.285   2.712  -1.898
  123   2HD   ARG  18          2HD       ARG  18   6.999   2.439  -1.659
  124    HE   ARG  18           HE       ARG  18   6.972   4.184  -0.122
  125   1HH1  ARG  18          1HH1      ARG  18   4.409   4.741  -2.468
  126   2HH1  ARG  18          2HH1      ARG  18   3.843   6.186  -1.697
  127   1HH2  ARG  18          1HH2      ARG  18   6.226   6.090   0.895
  128   2HH2  ARG  18          2HH2      ARG  18   4.883   6.958   0.228
  129    H    VAL  19           H        VAL  19   5.830  -0.782  -4.668
  130    HA   VAL  19           HA       VAL  19   6.523  -1.086  -7.418
  131    HB   VAL  19           HB       VAL  19   4.745  -2.746  -5.620
  132   1HG1  VAL  19          1HG1      VAL  19   6.046  -3.296  -8.300
  133   2HG1  VAL  19          2HG1      VAL  19   5.457  -4.587  -7.225
  134   3HG1  VAL  19          3HG1      VAL  19   4.321  -3.379  -7.871
  135   1HG2  VAL  19          1HG2      VAL  19   7.736  -2.768  -6.083
  136   2HG2  VAL  19          2HG2      VAL  19   6.848  -2.660  -4.543
  137   3HG2  VAL  19          3HG2      VAL  19   6.854  -4.185  -5.462
  138    H    ASP  20           H        ASP  20   4.049   0.571  -5.746
  139    HA   ASP  20           HA       ASP  20   2.194   1.511  -6.354
  140   1HB   ASP  20          1HB       ASP  20   3.289   2.538  -8.205
  141   2HB   ASP  20          2HB       ASP  20   3.440   1.024  -9.075
  142    H    CYS  21           H        CYS  21   0.372   0.285  -5.817
  143    HA   CYS  21           HA       CYS  21  -0.036  -2.281  -6.963
  144   1HB   CYS  21          1HB       CYS  21  -0.880  -0.936  -4.669
  145   2HB   CYS  21          2HB       CYS  21  -2.346  -1.149  -5.604
  146    H    GLY  22           H        GLY  22  -0.516   0.908  -8.036
  147   1HA   GLY  22          1HA       GLY  22  -1.770   0.249 -10.407
  148   2HA   GLY  22          2HA       GLY  22  -1.709   1.848  -9.692
  149    H    TYR  23           H        TYR  23  -3.395   2.440  -8.051
  150    HA   TYR  23           HA       TYR  23  -5.937   1.283  -8.857
  151   1HB   TYR  23          1HB       TYR  23  -4.618   0.384  -6.589
  152   2HB   TYR  23          2HB       TYR  23  -5.421   1.788  -5.915
  153    HD1  TYR  23           HD1      TYR  23  -6.477  -0.863  -8.365
  154    HD2  TYR  23           HD2      TYR  23  -7.284   1.170  -4.688
  155    HE1  TYR  23           HE1      TYR  23  -8.612  -2.214  -8.078
  156    HE2  TYR  23           HE2      TYR  23  -9.416  -0.188  -4.413
  157    HH   TYR  23           HH       TYR  23 -10.926  -1.426  -5.618
  158    HA   PRO  24           HA       PRO  24  -7.008   5.468  -8.507
  159   1HB   PRO  24          1HB       PRO  24  -9.723   5.278  -8.747
  160   2HB   PRO  24          2HB       PRO  24  -8.636   5.253 -10.120
  161   1HG   PRO  24          1HG       PRO  24 -10.104   3.009  -8.878
  162   2HG   PRO  24          2HG       PRO  24  -9.370   3.094 -10.466
  163   1HD   PRO  24          1HD       PRO  24  -8.329   1.733  -8.166
  164   2HD   PRO  24          2HD       PRO  24  -7.541   1.917  -9.720
  165    H    HIS  25           H        HIS  25  -9.793   4.004  -6.954
  166    HA   HIS  25           HA       HIS  25  -9.741   5.894  -4.900
  167   1HB   HIS  25          1HB       HIS  25 -11.740   5.032  -4.407
  168   2HB   HIS  25          2HB       HIS  25 -11.539   4.076  -5.862
  169    HD1  HIS  25           HD1      HIS  25 -12.125   3.749  -2.286
  170    HD2  HIS  25           HD2      HIS  25 -10.336   1.399  -5.265
  171    HE1  HIS  25           HE1      HIS  25 -12.016   1.376  -1.356
  172    HE2  HIS  25           HE2      HIS  25 -10.958  -0.032  -3.251
  173    H    VAL  26           H        VAL  26  -7.755   6.031  -3.830
  174    HA   VAL  26           HA       VAL  26  -7.077   3.636  -2.271
  175    HB   VAL  26           HB       VAL  26  -4.707   4.344  -2.476
  176   1HG1  VAL  26          1HG1      VAL  26  -6.368   3.382  -4.762
  177   2HG1  VAL  26          2HG1      VAL  26  -4.670   3.799  -5.095
  178   3HG1  VAL  26          3HG1      VAL  26  -5.061   2.568  -3.870
  179   1HG2  VAL  26          1HG2      VAL  26  -5.870   6.331  -4.447
  180   2HG2  VAL  26          2HG2      VAL  26  -4.870   6.661  -3.012
  181   3HG2  VAL  26          3HG2      VAL  26  -4.154   5.858  -4.430
  182    H    THR  27           H        THR  27  -7.028   3.965  -0.097
  183    HA   THR  27           HA       THR  27  -6.571   6.684   0.870
  184    HB   THR  27           HB       THR  27  -8.673   6.890   1.848
  185    HG1  THR  27           HG1      THR  27  -9.585   5.044   2.849
  186   1HG2  THR  27          1HG2      THR  27  -9.258   4.710  -0.226
  187   2HG2  THR  27          2HG2      THR  27 -10.479   5.756   0.539
  188   3HG2  THR  27          3HG2      THR  27  -9.255   6.461  -0.545
  189    HA   PRO  28           HA       PRO  28  -4.555   4.727   4.123
  190   1HB   PRO  28          1HB       PRO  28  -5.322   6.020   6.406
  191   2HB   PRO  28          2HB       PRO  28  -4.161   6.682   5.273
  192   1HG   PRO  28          1HG       PRO  28  -6.985   7.449   5.693
  193   2HG   PRO  28          2HG       PRO  28  -5.709   8.350   4.897
  194   1HD   PRO  28          1HD       PRO  28  -7.842   6.910   3.630
  195   2HD   PRO  28          2HD       PRO  28  -6.502   7.713   2.835
  196    H    LYS  29           H        LYS  29  -6.932   3.379   3.274
  197    HA   LYS  29           HA       LYS  29  -7.009   1.438   5.262
  198   1HB   LYS  29          1HB       LYS  29  -8.297   3.435   6.352
  199   2HB   LYS  29          2HB       LYS  29  -9.601   2.968   5.280
  200   1HG   LYS  29          1HG       LYS  29  -8.458   0.601   6.558
  201   2HG   LYS  29          2HG       LYS  29  -8.909   1.781   7.773
  202   1HD   LYS  29          1HD       LYS  29 -10.958   1.528   5.665
  203   2HD   LYS  29          2HD       LYS  29 -10.645  -0.001   6.463
  204   1HE   LYS  29          1HE       LYS  29 -10.744   1.657   8.649
  205   2HE   LYS  29          2HE       LYS  29 -11.831   2.513   7.573
  206   1HZ   LYS  29          1HZ       LYS  29 -12.992   0.385   7.248
  207   2HZ   LYS  29          2HZ       LYS  29 -12.046  -0.299   8.391
  208   3HZ   LYS  29          3HZ       LYS  29 -13.056   0.921   8.789
  209    H    GLU  30           H        GLU  30  -8.924   3.165   2.728
  210    HA   GLU  30           HA       GLU  30 -10.193   0.832   1.854
  211   1HB   GLU  30          1HB       GLU  30 -10.166   3.645   1.191
  212   2HB   GLU  30          2HB       GLU  30 -10.017   2.727  -0.294
  213   1HG   GLU  30          1HG       GLU  30 -12.351   2.834  -0.027
  214   2HG   GLU  30          2HG       GLU  30 -11.982   1.267   0.665
  215    H    CYS  31           H        CYS  31  -7.077   2.388   1.130
  216    HA   CYS  31           HA       CYS  31  -6.640   0.775  -1.198
  217   1HB   CYS  31          1HB       CYS  31  -5.582   2.784  -1.442
  218   2HB   CYS  31          2HB       CYS  31  -5.163   2.913   0.255
  219    H    ASN  32           H        ASN  32  -6.116   0.675   2.297
  220    HA   ASN  32           HA       ASN  32  -4.210  -1.469   2.020
  221   1HB   ASN  32          1HB       ASN  32  -5.393  -0.459   4.640
  222   2HB   ASN  32          2HB       ASN  32  -3.832  -1.213   4.384
  223   2HD2  ASN  32          2HD2      ASN  32  -2.293   0.179   4.764
  224   1HD2  ASN  32          1HD2      ASN  32  -2.208   1.825   4.233
  225    H    ASN  33           H        ASN  33  -7.505  -1.136   1.791
  226    HA   ASN  33           HA       ASN  33  -8.110  -3.454   3.420
  227   1HB   ASN  33          1HB       ASN  33  -9.623  -1.506   3.665
  228   2HB   ASN  33          2HB       ASN  33  -9.902  -1.462   1.935
  229   2HD2  ASN  33          2HD2      ASN  33 -11.562  -1.969   4.451
  230   1HD2  ASN  33          1HD2      ASN  33 -12.505  -3.376   4.089
  231    H    ARG  34           H        ARG  34  -8.153  -2.113   0.074
  232    HA   ARG  34           HA       ARG  34  -9.498  -4.181  -1.136
  233   1HB   ARG  34          1HB       ARG  34  -8.505  -1.798  -1.981
  234   2HB   ARG  34          2HB       ARG  34  -7.244  -2.835  -2.620
  235   1HG   ARG  34          1HG       ARG  34  -9.148  -2.411  -4.237
  236   2HG   ARG  34          2HG       ARG  34  -8.828  -4.109  -3.942
  237   1HD   ARG  34          1HD       ARG  34 -10.792  -2.888  -2.060
  238   2HD   ARG  34          2HD       ARG  34 -11.319  -2.922  -3.731
  239    HE   ARG  34           HE       ARG  34 -11.022  -5.212  -1.973
  240   1HH1  ARG  34          1HH1      ARG  34 -10.811  -4.214  -5.341
  241   2HH1  ARG  34          2HH1      ARG  34 -11.143  -5.796  -5.964
  242   1HH2  ARG  34          1HH2      ARG  34 -11.460  -7.299  -2.794
  243   2HH2  ARG  34          2HH2      ARG  34 -11.515  -7.562  -4.505
  244    H    GLY  35           H        GLY  35  -6.244  -3.964   0.161
  245   1HA   GLY  35          1HA       GLY  35  -5.605  -6.593  -1.038
  246   2HA   GLY  35          2HA       GLY  35  -5.173  -6.099   0.587
  247    H    CYS  36           H        CYS  36  -3.719  -4.107   0.798
  248    HA   CYS  36           HA       CYS  36  -1.391  -4.489  -0.571
  249   1HB   CYS  36          1HB       CYS  36  -3.167  -3.292  -2.320
  250   2HB   CYS  36          2HB       CYS  36  -2.254  -1.931  -1.699
  251    H    CYS  37           H        CYS  37  -0.648  -1.581  -0.702
  252    HA   CYS  37           HA       CYS  37  -1.064  -0.886   2.113
  253   1HB   CYS  37          1HB       CYS  37   1.473  -1.172   0.582
  254   2HB   CYS  37          2HB       CYS  37   1.359   0.174   1.699
  255    H    PHE  38           H        PHE  38  -1.093   1.452   2.515
  256    HA   PHE  38           HA       PHE  38  -1.527   2.986   0.048
  257   1HB   PHE  38          1HB       PHE  38  -3.597   2.626   1.371
  258   2HB   PHE  38          2HB       PHE  38  -2.771   3.051   2.857
  259    HD1  PHE  38           HD1      PHE  38  -4.087   4.405  -0.314
  260    HD2  PHE  38           HD2      PHE  38  -2.554   5.320   3.536
  261    HE1  PHE  38           HE1      PHE  38  -4.820   6.790  -0.589
  262    HE2  PHE  38           HE2      PHE  38  -3.287   7.705   3.261
  263    HZ   PHE  38           HZ       PHE  38  -4.411   8.411   1.202
  264    H    ASP  39           H        ASP  39  -1.394   5.506   0.644
  265    HA   ASP  39           HA       ASP  39   0.270   6.273   2.708
  266   1HB   ASP  39          1HB       ASP  39   2.121   5.179   1.645
  267   2HB   ASP  39          2HB       ASP  39   1.616   5.692   0.048
  268    H    SER  40           H        SER  40   0.388   8.618   2.721
  269    HA   SER  40           HA       SER  40  -0.582   9.908   0.307
  270   1HB   SER  40          1HB       SER  40  -2.083  11.352   1.647
  271   2HB   SER  40          2HB       SER  40  -2.532   9.664   1.788
  272    HG   SER  40           HG       SER  40  -2.321  11.119   3.822
  273    H    ARG  41           H        ARG  41   2.042   9.504   1.953
  274    HA   ARG  41           HA       ARG  41   2.632  11.950   3.125
  275   1HB   ARG  41          1HB       ARG  41   3.853   9.532   3.092
  276   2HB   ARG  41          2HB       ARG  41   4.821  10.306   1.853
  277   1HG   ARG  41          1HG       ARG  41   5.656  11.953   3.336
  278   2HG   ARG  41          2HG       ARG  41   4.324  11.766   4.459
  279   1HD   ARG  41          1HD       ARG  41   5.167   9.620   5.242
  280   2HD   ARG  41          2HD       ARG  41   6.348   9.540   3.950
  281    HE   ARG  41           HE       ARG  41   6.744  11.949   5.486
  282   1HH1  ARG  41          1HH1      ARG  41   7.228   8.468   5.645
  283   2HH1  ARG  41          2HH1      ARG  41   8.563   8.575   6.743
  284   1HH2  ARG  41          1HH2      ARG  41   8.505  12.091   6.935
  285   2HH2  ARG  41          2HH2      ARG  41   9.295  10.650   7.482
  286    H    ILE  42           H        ILE  42   3.344  10.553  -0.150
  287    HA   ILE  42           HA       ILE  42   3.554  13.276  -1.161
  288    HB   ILE  42           HB       ILE  42   5.548  12.009  -2.548
  289   1HG1  ILE  42          1HG1      ILE  42   7.077  11.085  -0.820
  290   2HG1  ILE  42          2HG1      ILE  42   5.782  11.173   0.358
  291   1HG2  ILE  42          1HG2      ILE  42   5.340  14.351  -1.506
  292   2HG2  ILE  42          2HG2      ILE  42   6.108  13.631  -0.071
  293   3HG2  ILE  42          3HG2      ILE  42   6.961  13.626  -1.633
  294   1HD1  ILE  42          1HD1      ILE  42   4.934   9.826  -2.126
  295   2HD1  ILE  42          2HD1      ILE  42   6.302   9.013  -1.329
  296   3HD1  ILE  42          3HD1      ILE  42   4.787   9.287  -0.436
  297    HA   PRO  43           HA       PRO  43   1.088  11.360  -4.167
  298   1HB   PRO  43          1HB       PRO  43   0.798  13.479  -5.869
  299   2HB   PRO  43          2HB       PRO  43  -0.181  13.264  -4.432
  300   1HG   PRO  43          1HG       PRO  43   2.053  15.145  -4.888
  301   2HG   PRO  43          2HG       PRO  43   0.809  15.197  -3.655
  302   1HD   PRO  43          1HD       PRO  43   3.535  14.375  -3.310
  303   2HD   PRO  43          2HD       PRO  43   2.262  14.317  -2.106
  304    H    GLY  44           H        GLY  44   3.983  13.077  -5.098
  305   1HA   GLY  44          1HA       GLY  44   5.642  12.363  -6.470
  306   2HA   GLY  44          2HA       GLY  44   4.360  12.407  -7.664
  307    H    VAL  45           H        VAL  45   4.773  10.179  -4.835
  308    HA   VAL  45           HA       VAL  45   5.405   8.010  -6.656
  309    HB   VAL  45           HB       VAL  45   6.258   6.929  -4.852
  310   1HG1  VAL  45          1HG1      VAL  45   7.051   9.465  -5.059
  311   2HG1  VAL  45          2HG1      VAL  45   6.379   9.547  -3.412
  312   3HG1  VAL  45          3HG1      VAL  45   7.673   8.384  -3.789
  313   1HG2  VAL  45          1HG2      VAL  45   4.177   8.329  -3.148
  314   2HG2  VAL  45          2HG2      VAL  45   4.259   6.604  -3.580
  315   3HG2  VAL  45          3HG2      VAL  45   5.472   7.306  -2.482
  316    HA   PRO  46           HA       PRO  46   1.481   6.199  -6.505
  317   1HB   PRO  46          1HB       PRO  46   1.929   3.523  -6.180
  318   2HB   PRO  46          2HB       PRO  46   2.133   4.350  -7.712
  319   1HG   PRO  46          1HG       PRO  46   4.204   3.386  -5.835
  320   2HG   PRO  46          2HG       PRO  46   4.369   3.817  -7.526
  321   1HD   PRO  46          1HD       PRO  46   5.173   5.391  -5.267
  322   2HD   PRO  46          2HD       PRO  46   5.231   5.870  -6.952
  323    H    TRP  47           H        TRP  47   0.591   7.302  -4.733
  324    HA   TRP  47           HA       TRP  47   0.882   6.948  -2.166
  325   1HB   TRP  47          1HB       TRP  47  -1.565   7.249  -3.828
  326   2HB   TRP  47          2HB       TRP  47  -1.793   6.858  -2.134
  327    HD1  TRP  47           HD1      TRP  47   1.129   9.159  -3.126
  328    HE1  TRP  47           HE1      TRP  47   0.760  11.617  -2.237
  329    HE3  TRP  47           HE3      TRP  47  -3.644   8.427  -1.533
  330    HZ2  TRP  47           HZ2      TRP  47  -1.438  12.948  -0.995
  331    HZ3  TRP  47           HZ3      TRP  47  -4.831  10.358  -0.493
  332    HH2  TRP  47           HH2      TRP  47  -3.804  12.558  -0.213
  333    H    CYS  48           H        CYS  48  -1.183   4.690  -4.146
  334    HA   CYS  48           HA       CYS  48  -1.073   2.780  -1.981
  335   1HB   CYS  48          1HB       CYS  48  -3.140   3.381  -3.415
  336   2HB   CYS  48          2HB       CYS  48  -2.420   2.352  -4.637
  337    H    PHE  49           H        PHE  49   0.551   1.267  -1.900
  338    HA   PHE  49           HA       PHE  49   1.598   0.276  -4.432
  339   1HB   PHE  49          1HB       PHE  49   3.924   0.493  -3.263
  340   2HB   PHE  49          2HB       PHE  49   3.206   1.992  -3.820
  341    HD1  PHE  49           HD1      PHE  49   3.459  -0.148  -0.780
  342    HD2  PHE  49           HD2      PHE  49   2.971   3.768  -2.341
  343    HE1  PHE  49           HE1      PHE  49   3.639   0.798   1.538
  344    HE2  PHE  49           HE2      PHE  49   3.151   4.714  -0.023
  345    HZ   PHE  49           HZ       PHE  49   3.483   3.218   1.889
  346    H    LYS  50           H        LYS  50   3.077  -1.697  -4.018
  347    HA   LYS  50           HA       LYS  50   1.639  -3.477  -2.341
  348   1HB   LYS  50          1HB       LYS  50   4.286  -3.968  -3.727
  349   2HB   LYS  50          2HB       LYS  50   3.111  -5.161  -3.208
  350   1HG   LYS  50          1HG       LYS  50   1.427  -4.090  -4.795
  351   2HG   LYS  50          2HG       LYS  50   2.714  -3.058  -5.386
  352   1HD   LYS  50          1HD       LYS  50   2.927  -4.773  -6.924
  353   2HD   LYS  50          2HD       LYS  50   3.989  -5.410  -5.685
  354   1HE   LYS  50          1HE       LYS  50   2.391  -6.980  -4.922
  355   2HE   LYS  50          2HE       LYS  50   1.036  -6.067  -5.556
  356   1HZ   LYS  50          1HZ       LYS  50   3.025  -7.161  -7.387
  357   2HZ   LYS  50          2HZ       LYS  50   1.841  -8.121  -6.802
  358   3HZ   LYS  50          3HZ       LYS  50   1.460  -6.794  -7.673
  359    HA   PRO  51           HA       PRO  51   4.017  -3.315   1.258
  360   1HB   PRO  51          1HB       PRO  51   4.148  -5.911   2.104
  361   2HB   PRO  51          2HB       PRO  51   2.732  -4.902   2.322
  362   1HG   PRO  51          1HG       PRO  51   3.165  -7.096   0.389
  363   2HG   PRO  51          2HG       PRO  51   1.656  -6.375   0.910
  364   1HD   PRO  51          1HD       PRO  51   3.008  -5.915  -1.577
  365   2HD   PRO  51          2HD       PRO  51   1.562  -5.108  -1.006
  366    H    LEU  52           H        LEU  52   6.061  -2.795   1.705
  367    HA   LEU  52           HA       LEU  52   8.104  -3.212   0.077
  368   1HB   LEU  52          1HB       LEU  52   8.487  -1.822   1.874
  369   2HB   LEU  52          2HB       LEU  52   7.945  -3.000   3.053
  370    HG   LEU  52           HG       LEU  52  10.500  -3.338   1.470
  371   1HD1  LEU  52          1HD1      LEU  52  10.024  -1.859   4.055
  372   2HD1  LEU  52          2HD1      LEU  52  11.603  -2.573   3.650
  373   3HD1  LEU  52          3HD1      LEU  52  10.896  -1.323   2.598
  374   1HD2  LEU  52          1HD2      LEU  52   9.053  -5.035   3.228
  375   2HD2  LEU  52          2HD2      LEU  52  10.641  -5.310   2.471
  376   3HD2  LEU  52          3HD2      LEU  52  10.538  -4.530   4.068
  377    H    GLN  53           H        GLN  53   9.525  -4.803  -0.569
  378    HA   GLN  53           HA       GLN  53   8.687  -7.435  -0.190
  379   1HB   GLN  53          1HB       GLN  53  10.918  -7.957  -1.361
  380   2HB   GLN  53          2HB       GLN  53   9.793  -6.936  -2.235
  381   1HG   GLN  53          1HG       GLN  53  11.688  -5.479  -0.443
  382   2HG   GLN  53          2HG       GLN  53  12.435  -6.302  -1.799
  383   2HE2  GLN  53          2HE2      GLN  53  11.147  -3.479  -0.801
  384   1HE2  GLN  53          1HE2      GLN  53  10.652  -2.769  -2.301
  385    H    GLU  54           H        GLU  54   8.647  -7.339   2.270
  386    HA   GLU  54           HA       GLU  54  10.741  -6.984   3.879
  387   1HB   GLU  54          1HB       GLU  54   9.556  -8.203   5.502
  388   2HB   GLU  54          2HB       GLU  54   8.292  -7.739   4.380
  389   1HG   GLU  54          1HG       GLU  54   8.682 -10.003   3.201
  390   2HG   GLU  54          2HG       GLU  54   9.687 -10.444   4.568
  391    H    ALA  55           H        ALA  55  12.800  -7.762   3.939
  392    HA   ALA  55           HA       ALA  55  13.340 -10.525   3.849
  393   1HB   ALA  55          1HB       ALA  55  14.211 -10.853   1.726
  394   2HB   ALA  55          2HB       ALA  55  12.873  -9.739   1.354
  395   3HB   ALA  55          3HB       ALA  55  14.538  -9.121   1.475
  396    H    GLU  56           H        GLU  56  14.937  -7.441   2.752
  397    HA   GLU  56           HA       GLU  56  16.728  -6.420   3.430
  398   1HB   GLU  56          1HB       GLU  56  15.244  -6.700   5.682
  399   2HB   GLU  56          2HB       GLU  56  16.675  -7.570   6.200
  400   1HG   GLU  56          1HG       GLU  56  17.503  -5.138   4.850
  401   2HG   GLU  56          2HG       GLU  56  16.297  -4.729   6.053
  402    H    CYS  57           H        CYS  57  17.958  -7.883   1.976
  403    HA   CYS  57           HA       CYS  57  19.832  -9.474   3.550
  404   1HB   CYS  57          1HB       CYS  57  18.753 -10.394   0.883
  405   2HB   CYS  57          2HB       CYS  57  19.845 -11.254   1.951
  406    H    THR  58           H        THR  58  19.083  -8.320   0.170
  407    HA   THR  58           HA       THR  58  21.903  -7.658  -0.172
  408    HB   THR  58           HB       THR  58  20.446  -8.986  -1.857
  409    HG1  THR  58           HG1      THR  58  21.662  -6.403  -2.551
  410   1HG2  THR  58          1HG2      THR  58  18.678  -6.855  -1.604
  411   2HG2  THR  58          2HG2      THR  58  19.616  -6.383  -3.042
  412   3HG2  THR  58          3HG2      THR  58  18.749  -7.938  -3.015
  413    H    PHE  59           H        PHE  59  22.719  -5.609  -0.529
  414    HA   PHE  59           HA       PHE  59  22.831  -3.457   0.059
  415   1HB   PHE  59          1HB       PHE  59  21.977  -3.537  -2.327
  416   2HB   PHE  59          2HB       PHE  59  20.329  -3.556  -1.732
  417    HD1  PHE  59           HD1      PHE  59  23.379  -1.483  -1.979
  418    HD2  PHE  59           HD2      PHE  59  19.218  -1.545  -1.150
  419    HE1  PHE  59           HE1      PHE  59  23.330   1.026  -2.037
  420    HE2  PHE  59           HE2      PHE  59  19.169   0.964  -1.208
  421    HZ   PHE  59           HZ       PHE  59  21.226   2.219  -1.650

  No H/Q in entry =         421
  Start of MODEL   70
    1    H    GLU   1           H        GLU   1   3.120 -19.939  13.259
    2    HA   GLU   1           HA       GLU   1   5.050 -18.145  13.091
    3   1HB   GLU   1          1HB       GLU   1   5.842 -20.241  11.372
    4   2HB   GLU   1          2HB       GLU   1   5.243 -18.996  10.294
    5   1HG   GLU   1          1HG       GLU   1   7.230 -17.931  10.548
    6   2HG   GLU   1          2HG       GLU   1   6.753 -17.564  12.194
    7    H    GLU   2           H        GLU   2   4.234 -16.215  12.190
    8    HA   GLU   2           HA       GLU   2   2.434 -16.127  10.111
    9   1HB   GLU   2          1HB       GLU   2   0.992 -17.281  11.927
   10   2HB   GLU   2          2HB       GLU   2   0.996 -15.741  12.763
   11   1HG   GLU   2          1HG       GLU   2   0.186 -14.717  10.500
   12   2HG   GLU   2          2HG       GLU   2  -0.145 -16.368  10.013
   13    H    TYR   3           H        TYR   3   2.376 -14.011   9.379
   14    HA   TYR   3           HA       TYR   3   4.043 -12.112  10.236
   15   1HB   TYR   3          1HB       TYR   3   2.003 -12.408   8.381
   16   2HB   TYR   3          2HB       TYR   3   1.243 -11.254   9.459
   17    HD1  TYR   3           HD1      TYR   3   4.145 -11.801   7.215
   18    HD2  TYR   3           HD2      TYR   3   1.906  -8.951   9.488
   19    HE1  TYR   3           HE1      TYR   3   5.383  -9.901   6.065
   20    HE2  TYR   3           HE2      TYR   3   3.152  -7.061   8.331
   21    HH   TYR   3           HH       TYR   3   4.706  -7.347   5.578
   22    H    VAL   4           H        VAL   4   3.714  -9.984  11.339
   23    HA   VAL   4           HA       VAL   4   1.550  -9.571  13.065
   24    HB   VAL   4           HB       VAL   4   2.614 -11.561  14.161
   25   1HG1  VAL   4          1HG1      VAL   4   4.994 -10.285  13.661
   26   2HG1  VAL   4          2HG1      VAL   4   4.744  -9.937  15.388
   27   3HG1  VAL   4          3HG1      VAL   4   4.768 -11.621  14.814
   28   1HG2  VAL   4          1HG2      VAL   4   2.171  -8.918  15.505
   29   2HG2  VAL   4          2HG2      VAL   4   1.240 -10.430  15.621
   30   3HG2  VAL   4          3HG2      VAL   4   2.798 -10.278  16.467
   31    H    GLY   5           H        GLY   5   2.578  -7.927  11.218
   32   1HA   GLY   5          1HA       GLY   5   4.672  -6.369  11.383
   33   2HA   GLY   5          2HA       GLY   5   3.863  -5.863  12.853
   34    H    LEU   6           H        LEU   6   2.244  -4.335  12.739
   35    HA   LEU   6           HA       LEU   6   1.031  -3.896  10.111
   36   1HB   LEU   6          1HB       LEU   6  -0.407  -2.386  11.860
   37   2HB   LEU   6          2HB       LEU   6  -0.818  -4.002  11.319
   38    HG   LEU   6           HG       LEU   6  -1.046  -3.798  13.732
   39   1HD1  LEU   6          1HD1      LEU   6   0.386  -5.803  12.371
   40   2HD1  LEU   6          2HD1      LEU   6   1.247  -5.533  13.905
   41   3HD1  LEU   6          3HD1      LEU   6  -0.486  -5.936  13.916
   42   1HD2  LEU   6          1HD2      LEU   6   1.753  -2.755  13.557
   43   2HD2  LEU   6          2HD2      LEU   6   0.373  -2.186  14.528
   44   3HD2  LEU   6          3HD2      LEU   6   1.255  -3.655  15.010
   45    H    SER   7           H        SER   7   0.938  -1.388  12.563
   46    HA   SER   7           HA       SER   7   1.484   0.733  12.321
   47   1HB   SER   7          1HB       SER   7   4.178   0.878  12.129
   48   2HB   SER   7          2HB       SER   7   3.358   0.396  13.601
   49    HG   SER   7           HG       SER   7   4.168  -1.515  11.589
   50    H    ALA   8           H        ALA   8   4.382   0.000  10.416
   51    HA   ALA   8           HA       ALA   8   3.086   0.578   7.906
   52   1HB   ALA   8          1HB       ALA   8   3.776   2.721   7.621
   53   2HB   ALA   8          2HB       ALA   8   5.340   2.425   8.418
   54   3HB   ALA   8          3HB       ALA   8   3.889   2.747   9.398
   55    H    ASN   9           H        ASN   9   4.729  -1.527   9.434
   56    HA   ASN   9           HA       ASN   9   7.299  -1.558   8.477
   57   1HB   ASN   9          1HB       ASN   9   5.466  -3.381   9.807
   58   2HB   ASN   9          2HB       ASN   9   6.298  -4.266   8.544
   59   2HD2  ASN   9          2HD2      ASN   9   6.718  -2.189  11.358
   60   1HD2  ASN   9          1HD2      ASN   9   8.305  -2.718  11.808
   61    H    GLN  10           H        GLN  10   4.347  -3.329   7.254
   62    HA   GLN  10           HA       GLN  10   5.594  -4.266   4.959
   63   1HB   GLN  10          1HB       GLN  10   3.242  -4.724   4.182
   64   2HB   GLN  10          2HB       GLN  10   3.584  -5.331   5.790
   65   1HG   GLN  10          1HG       GLN  10   2.617  -2.569   5.920
   66   2HG   GLN  10          2HG       GLN  10   1.486  -3.574   5.037
   67   2HE2  GLN  10          2HE2      GLN  10   1.031  -5.747   6.037
   68   1HE2  GLN  10          1HE2      GLN  10   0.780  -5.809   7.750
   69    H    CYS  11           H        CYS  11   4.205  -1.149   5.806
   70    HA   CYS  11           HA       CYS  11   4.493  -0.339   3.004
   71   1HB   CYS  11          1HB       CYS  11   2.846   1.343   4.792
   72   2HB   CYS  11          2HB       CYS  11   2.645   0.959   3.095
   73    H    ALA  12           H        ALA  12   6.791  -0.503   4.515
   74    HA   ALA  12           HA       ALA  12   7.211   2.241   5.480
   75   1HB   ALA  12          1HB       ALA  12   9.350   0.537   6.253
   76   2HB   ALA  12          2HB       ALA  12   8.087   1.242   7.290
   77   3HB   ALA  12          3HB       ALA  12   7.846  -0.364   6.561
   78    H    VAL  13           H        VAL  13   7.115   1.917   2.727
   79    HA   VAL  13           HA       VAL  13   9.827   1.453   1.821
   80    HB   VAL  13           HB       VAL  13   7.776   2.502  -0.025
   81   1HG1  VAL  13          1HG1      VAL  13  10.037   0.591  -0.007
   82   2HG1  VAL  13          2HG1      VAL  13   8.666   0.140  -1.049
   83   3HG1  VAL  13          3HG1      VAL  13   9.481   1.706  -1.278
   84   1HG2  VAL  13          1HG2      VAL  13   7.335   0.023   1.617
   85   2HG2  VAL  13          2HG2      VAL  13   6.168   1.253   1.073
   86   3HG2  VAL  13          3HG2      VAL  13   6.807   0.059  -0.083
   87    HA   PRO  14           HA       PRO  14  10.881   5.645   1.886
   88   1HB   PRO  14          1HB       PRO  14  12.947   5.684   0.097
   89   2HB   PRO  14          2HB       PRO  14  13.127   5.153   1.757
   90   1HG   PRO  14          1HG       PRO  14  13.016   3.525  -0.708
   91   2HG   PRO  14          2HG       PRO  14  13.609   3.076   0.879
   92   1HD   PRO  14          1HD       PRO  14  11.100   2.325  -0.291
   93   2HD   PRO  14          2HD       PRO  14  11.645   1.973   1.337
   94    H    ALA  15           H        ALA  15   9.147   4.315  -0.467
   95    HA   ALA  15           HA       ALA  15   7.723   5.354  -1.861
   96   1HB   ALA  15          1HB       ALA  15   8.689   7.534  -0.449
   97   2HB   ALA  15          2HB       ALA  15   7.420   7.590  -1.695
   98   3HB   ALA  15          3HB       ALA  15   9.110   7.939  -2.130
   99    H    LYS  16           H        LYS  16  11.163   5.128  -2.074
  100    HA   LYS  16           HA       LYS  16  11.111   5.533  -4.964
  101   1HB   LYS  16          1HB       LYS  16  13.561   5.466  -4.791
  102   2HB   LYS  16          2HB       LYS  16  12.862   6.704  -3.767
  103   1HG   LYS  16          1HG       LYS  16  14.571   5.535  -2.483
  104   2HG   LYS  16          2HG       LYS  16  13.007   5.129  -1.804
  105   1HD   LYS  16          1HD       LYS  16  13.055   2.932  -2.624
  106   2HD   LYS  16          2HD       LYS  16  14.098   3.339  -3.973
  107   1HE   LYS  16          1HE       LYS  16  16.028   3.064  -2.745
  108   2HE   LYS  16          2HE       LYS  16  15.338   3.777  -1.300
  109   1HZ   LYS  16          1HZ       LYS  16  14.405   1.166  -2.200
  110   2HZ   LYS  16          2HZ       LYS  16  15.805   1.282  -1.367
  111   3HZ   LYS  16          3HZ       LYS  16  14.409   1.791  -0.691
  112    H    ASP  17           H        ASP  17  10.138   3.164  -2.998
  113    HA   ASP  17           HA       ASP  17  11.228   1.140  -4.783
  114   1HB   ASP  17          1HB       ASP  17  11.585   1.343  -1.935
  115   2HB   ASP  17          2HB       ASP  17  10.505  -0.007  -2.220
  116    H    ARG  18           H        ARG  18   8.645   2.865  -4.443
  117    HA   ARG  18           HA       ARG  18   6.675   1.062  -3.563
  118   1HB   ARG  18          1HB       ARG  18   6.269   3.498  -5.362
  119   2HB   ARG  18          2HB       ARG  18   5.085   2.770  -4.295
  120   1HG   ARG  18          1HG       ARG  18   7.684   4.089  -3.374
  121   2HG   ARG  18          2HG       ARG  18   6.106   4.851  -3.331
  122   1HD   ARG  18          1HD       ARG  18   5.376   2.745  -1.922
  123   2HD   ARG  18          2HD       ARG  18   7.094   2.486  -1.699
  124    HE   ARG  18           HE       ARG  18   7.057   4.206  -0.134
  125   1HH1  ARG  18          1HH1      ARG  18   4.485   4.781  -2.465
  126   2HH1  ARG  18          2HH1      ARG  18   3.912   6.210  -1.673
  127   1HH2  ARG  18          1HH2      ARG  18   6.302   6.092   0.912
  128   2HH2  ARG  18          2HH2      ARG  18   4.953   6.961   0.261
  129    H    VAL  19           H        VAL  19   5.819  -0.649  -4.707
  130    HA   VAL  19           HA       VAL  19   6.539  -0.953  -7.470
  131    HB   VAL  19           HB       VAL  19   4.814  -2.663  -5.668
  132   1HG1  VAL  19          1HG1      VAL  19   6.059  -3.099  -8.385
  133   2HG1  VAL  19          2HG1      VAL  19   5.669  -4.464  -7.311
  134   3HG1  VAL  19          3HG1      VAL  19   4.379  -3.368  -7.862
  135   1HG2  VAL  19          1HG2      VAL  19   7.765  -2.352  -5.916
  136   2HG2  VAL  19          2HG2      VAL  19   6.772  -2.831  -4.519
  137   3HG2  VAL  19          3HG2      VAL  19   7.137  -4.013  -5.798
  138    H    ASP  20           H        ASP  20   4.066   0.642  -5.735
  139    HA   ASP  20           HA       ASP  20   2.184   1.554  -6.301
  140   1HB   ASP  20          1HB       ASP  20   3.220   2.615  -8.166
  141   2HB   ASP  20          2HB       ASP  20   3.387   1.110  -9.048
  142    H    CYS  21           H        CYS  21   0.403   0.284  -5.729
  143    HA   CYS  21           HA       CYS  21   0.018  -2.286  -6.850
  144   1HB   CYS  21          1HB       CYS  21  -0.781  -1.017  -4.555
  145   2HB   CYS  21          2HB       CYS  21  -2.270  -1.044  -5.479
  146    H    GLY  22           H        GLY  22  -0.668   0.953  -7.835
  147   1HA   GLY  22          1HA       GLY  22  -1.837   0.222 -10.261
  148   2HA   GLY  22          2HA       GLY  22  -1.829   1.824  -9.550
  149    H    TYR  23           H        TYR  23  -3.534   2.361  -7.906
  150    HA   TYR  23           HA       TYR  23  -6.034   1.100  -8.703
  151   1HB   TYR  23          1HB       TYR  23  -4.663   0.351  -6.392
  152   2HB   TYR  23          2HB       TYR  23  -5.587   1.707  -5.778
  153    HD1  TYR  23           HD1      TYR  23  -6.586  -0.845  -8.328
  154    HD2  TYR  23           HD2      TYR  23  -7.219   0.738  -4.404
  155    HE1  TYR  23           HE1      TYR  23  -8.614  -2.350  -8.040
  156    HE2  TYR  23           HE2      TYR  23  -9.245  -0.772  -4.129
  157    HH   TYR  23           HH       TYR  23 -10.425  -2.712  -6.819
  158    HA   PRO  24           HA       PRO  24  -7.317   5.227  -8.440
  159   1HB   PRO  24          1HB       PRO  24 -10.031   4.908  -8.505
  160   2HB   PRO  24          2HB       PRO  24  -9.026   4.861  -9.940
  161   1HG   PRO  24          1HG       PRO  24 -10.313   2.620  -8.504
  162   2HG   PRO  24          2HG       PRO  24  -9.679   2.658 -10.137
  163   1HD   PRO  24          1HD       PRO  24  -8.443   1.460  -7.842
  164   2HD   PRO  24          2HD       PRO  24  -7.757   1.600  -9.449
  165    H    HIS  25           H        HIS  25 -10.068   3.941  -6.739
  166    HA   HIS  25           HA       HIS  25  -9.894   5.860  -4.755
  167   1HB   HIS  25          1HB       HIS  25 -11.498   4.343  -3.532
  168   2HB   HIS  25          2HB       HIS  25 -11.978   4.840  -5.142
  169    HD1  HIS  25           HD1      HIS  25 -13.553   2.721  -5.255
  170    HD2  HIS  25           HD2      HIS  25  -9.455   1.870  -4.977
  171    HE1  HIS  25           HE1      HIS  25 -13.293   0.254  -5.855
  172    HE2  HIS  25           HE2      HIS  25 -10.748  -0.196  -5.720
  173    H    VAL  26           H        VAL  26  -7.702   5.953  -4.006
  174    HA   VAL  26           HA       VAL  26  -6.956   3.645  -2.347
  175    HB   VAL  26           HB       VAL  26  -4.634   4.441  -2.648
  176   1HG1  VAL  26          1HG1      VAL  26  -6.277   3.650  -5.058
  177   2HG1  VAL  26          2HG1      VAL  26  -4.507   3.824  -5.144
  178   3HG1  VAL  26          3HG1      VAL  26  -5.232   2.636  -4.034
  179   1HG2  VAL  26          1HG2      VAL  26  -5.934   6.739  -3.743
  180   2HG2  VAL  26          2HG2      VAL  26  -4.196   6.465  -3.468
  181   3HG2  VAL  26          3HG2      VAL  26  -4.936   6.002  -5.020
  182    H    THR  27           H        THR  27  -7.156   3.987  -0.200
  183    HA   THR  27           HA       THR  27  -6.609   6.688   0.797
  184    HB   THR  27           HB       THR  27  -8.700   6.843   1.880
  185    HG1  THR  27           HG1      THR  27  -9.764   4.898   2.520
  186   1HG2  THR  27          1HG2      THR  27  -9.286   5.028  -0.520
  187   2HG2  THR  27          2HG2      THR  27 -10.507   5.972   0.368
  188   3HG2  THR  27          3HG2      THR  27  -9.233   6.807  -0.553
  189    HA   PRO  28           HA       PRO  28  -4.616   4.679   4.028
  190   1HB   PRO  28          1HB       PRO  28  -5.285   6.061   6.290
  191   2HB   PRO  28          2HB       PRO  28  -4.108   6.638   5.127
  192   1HG   PRO  28          1HG       PRO  28  -6.883   7.556   5.565
  193   2HG   PRO  28          2HG       PRO  28  -5.575   8.373   4.732
  194   1HD   PRO  28          1HD       PRO  28  -7.795   7.015   3.526
  195   2HD   PRO  28          2HD       PRO  28  -6.428   7.731   2.696
  196    H    LYS  29           H        LYS  29  -7.044   3.413   3.238
  197    HA   LYS  29           HA       LYS  29  -7.207   1.562   5.318
  198   1HB   LYS  29          1HB       LYS  29  -8.469   3.669   6.246
  199   2HB   LYS  29          2HB       LYS  29  -9.762   3.139   5.189
  200   1HG   LYS  29          1HG       LYS  29  -8.403   1.337   7.248
  201   2HG   LYS  29          2HG       LYS  29  -9.895   2.208   7.547
  202   1HD   LYS  29          1HD       LYS  29 -10.594   0.990   5.220
  203   2HD   LYS  29          2HD       LYS  29  -9.401  -0.169   5.774
  204   1HE   LYS  29          1HE       LYS  29 -10.597  -0.422   7.931
  205   2HE   LYS  29          2HE       LYS  29 -11.748   0.816   7.468
  206   1HZ   LYS  29          1HZ       LYS  29 -11.348  -1.599   5.858
  207   2HZ   LYS  29          2HZ       LYS  29 -12.424  -1.541   7.085
  208   3HZ   LYS  29          3HZ       LYS  29 -12.598  -0.549   5.799
  209    H    GLU  30           H        GLU  30  -8.775   3.199   2.534
  210    HA   GLU  30           HA       GLU  30 -10.144   0.835   1.776
  211   1HB   GLU  30          1HB       GLU  30 -10.561   3.455   1.255
  212   2HB   GLU  30          2HB       GLU  30  -9.658   3.051  -0.192
  213   1HG   GLU  30          1HG       GLU  30 -11.933   2.649  -0.779
  214   2HG   GLU  30          2HG       GLU  30 -11.269   1.054  -0.485
  215    H    CYS  31           H        CYS  31  -7.075   2.479   0.928
  216    HA   CYS  31           HA       CYS  31  -6.561   0.787  -1.294
  217   1HB   CYS  31          1HB       CYS  31  -5.475   2.778  -1.533
  218   2HB   CYS  31          2HB       CYS  31  -5.112   2.929   0.174
  219    H    ASN  32           H        ASN  32  -6.100   0.725   2.215
  220    HA   ASN  32           HA       ASN  32  -4.243  -1.472   1.982
  221   1HB   ASN  32          1HB       ASN  32  -3.576  -0.909   4.121
  222   2HB   ASN  32          2HB       ASN  32  -4.394   0.603   3.782
  223   2HD2  ASN  32          2HD2      ASN  32  -3.969  -1.376   6.152
  224   1HD2  ASN  32          1HD2      ASN  32  -5.518  -1.442   6.925
  225    H    ASN  33           H        ASN  33  -7.505  -1.083   1.701
  226    HA   ASN  33           HA       ASN  33  -8.207  -3.284   3.447
  227   1HB   ASN  33          1HB       ASN  33  -9.798  -1.515   3.655
  228   2HB   ASN  33          2HB       ASN  33  -9.773  -1.160   1.939
  229   2HD2  ASN  33          2HD2      ASN  33 -12.106  -1.236   2.226
  230   1HD2  ASN  33          1HD2      ASN  33 -12.944  -2.747   2.095
  231    H    ARG  34           H        ARG  34  -8.252  -2.137   0.015
  232    HA   ARG  34           HA       ARG  34  -9.562  -4.262  -1.090
  233   1HB   ARG  34          1HB       ARG  34  -8.560  -1.968  -2.080
  234   2HB   ARG  34          2HB       ARG  34  -7.238  -3.010  -2.568
  235   1HG   ARG  34          1HG       ARG  34 -10.135  -3.088  -3.440
  236   2HG   ARG  34          2HG       ARG  34  -8.689  -3.099  -4.431
  237   1HD   ARG  34          1HD       ARG  34  -8.158  -5.413  -3.642
  238   2HD   ARG  34          2HD       ARG  34  -9.589  -5.403  -2.631
  239    HE   ARG  34           HE       ARG  34  -9.507  -5.769  -5.530
  240   1HH1  ARG  34          1HH1      ARG  34 -11.516  -4.742  -2.831
  241   2HH1  ARG  34          2HH1      ARG  34 -13.007  -5.061  -3.653
  242   1HH2  ARG  34          1HH2      ARG  34 -11.473  -6.191  -6.616
  243   2HH2  ARG  34          2HH2      ARG  34 -12.982  -5.891  -5.820
  244    H    GLY  35           H        GLY  35  -6.172  -3.886  -0.034
  245   1HA   GLY  35          1HA       GLY  35  -5.602  -6.632  -0.977
  246   2HA   GLY  35          2HA       GLY  35  -5.214  -6.090   0.644
  247    H    CYS  36           H        CYS  36  -3.804  -4.020   0.787
  248    HA   CYS  36           HA       CYS  36  -1.422  -4.493  -0.510
  249   1HB   CYS  36          1HB       CYS  36  -3.212  -3.178  -2.238
  250   2HB   CYS  36          2HB       CYS  36  -2.103  -1.941  -1.682
  251    H    CYS  37           H        CYS  37  -0.562  -1.656  -0.626
  252    HA   CYS  37           HA       CYS  37  -1.035  -0.919   2.171
  253   1HB   CYS  37          1HB       CYS  37   1.515  -1.190   0.646
  254   2HB   CYS  37          2HB       CYS  37   1.390   0.116   1.807
  255    H    PHE  38           H        PHE  38  -1.098   1.408   2.566
  256    HA   PHE  38           HA       PHE  38  -1.480   2.945   0.093
  257   1HB   PHE  38          1HB       PHE  38  -3.572   2.604   1.376
  258   2HB   PHE  38          2HB       PHE  38  -2.767   3.000   2.882
  259    HD1  PHE  38           HD1      PHE  38  -4.029   4.408  -0.286
  260    HD2  PHE  38           HD2      PHE  38  -2.525   5.261   3.590
  261    HE1  PHE  38           HE1      PHE  38  -4.733   6.804  -0.539
  262    HE2  PHE  38           HE2      PHE  38  -3.229   7.657   3.336
  263    HZ   PHE  38           HZ       PHE  38  -4.325   8.400   1.274
  264    H    ASP  39           H        ASP  39  -1.334   5.461   0.670
  265    HA   ASP  39           HA       ASP  39   0.290   6.236   2.761
  266   1HB   ASP  39          1HB       ASP  39   2.135   5.082   1.711
  267   2HB   ASP  39          2HB       ASP  39   1.696   5.674   0.121
  268    H    SER  40           H        SER  40   0.441   8.582   2.747
  269    HA   SER  40           HA       SER  40  -0.523   9.841   0.309
  270   1HB   SER  40          1HB       SER  40  -1.966  11.344   1.636
  271   2HB   SER  40          2HB       SER  40  -2.435   9.670   1.860
  272    HG   SER  40           HG       SER  40  -2.263  10.132   3.948
  273    H    ARG  41           H        ARG  41   2.105   9.413   2.011
  274    HA   ARG  41           HA       ARG  41   2.827  11.790   3.138
  275   1HB   ARG  41          1HB       ARG  41   4.033   9.369   2.817
  276   2HB   ARG  41          2HB       ARG  41   4.920  10.265   1.601
  277   1HG   ARG  41          1HG       ARG  41   4.859  12.005   3.825
  278   2HG   ARG  41          2HG       ARG  41   5.108  10.420   4.531
  279   1HD   ARG  41          1HD       ARG  41   7.242  10.275   3.724
  280   2HD   ARG  41          2HD       ARG  41   6.764  10.806   2.124
  281    HE   ARG  41           HE       ARG  41   6.778  12.955   4.127
  282   1HH1  ARG  41          1HH1      ARG  41   8.675  11.202   1.738
  283   2HH1  ARG  41          2HH1      ARG  41   9.828  12.478   1.530
  284   1HH2  ARG  41          1HH2      ARG  41   8.299  14.639   3.852
  285   2HH2  ARG  41          2HH2      ARG  41   9.612  14.446   2.741
  286    H    ILE  42           H        ILE  42   3.451  10.576  -0.239
  287    HA   ILE  42           HA       ILE  42   3.423  13.341  -1.144
  288    HB   ILE  42           HB       ILE  42   5.488  12.344  -2.616
  289   1HG1  ILE  42          1HG1      ILE  42   7.123  11.416  -0.997
  290   2HG1  ILE  42          2HG1      ILE  42   5.862  11.325   0.216
  291   1HG2  ILE  42          1HG2      ILE  42   5.471  14.035  -0.110
  292   2HG2  ILE  42          2HG2      ILE  42   6.921  13.793  -1.113
  293   3HG2  ILE  42          3HG2      ILE  42   5.477  14.568  -1.808
  294   1HD1  ILE  42          1HD1      ILE  42   5.071  10.087  -2.351
  295   2HD1  ILE  42          2HD1      ILE  42   6.487   9.316  -1.596
  296   3HD1  ILE  42          3HD1      ILE  42   4.956   9.442  -0.696
  297    HA   PRO  43           HA       PRO  43   1.118  11.393  -4.244
  298   1HB   PRO  43          1HB       PRO  43   0.848  13.485  -5.983
  299   2HB   PRO  43          2HB       PRO  43  -0.162  13.281  -4.565
  300   1HG   PRO  43          1HG       PRO  43   2.065  15.176  -4.998
  301   2HG   PRO  43          2HG       PRO  43   0.793  15.234  -3.794
  302   1HD   PRO  43          1HD       PRO  43   3.518  14.442  -3.375
  303   2HD   PRO  43          2HD       PRO  43   2.219  14.389  -2.200
  304    H    GLY  44           H        GLY  44   4.008  13.138  -5.149
  305   1HA   GLY  44          1HA       GLY  44   5.706  12.421  -6.472
  306   2HA   GLY  44          2HA       GLY  44   4.448  12.426  -7.691
  307    H    VAL  45           H        VAL  45   4.679  10.243  -4.825
  308    HA   VAL  45           HA       VAL  45   5.417   8.050  -6.597
  309    HB   VAL  45           HB       VAL  45   6.246   6.994  -4.760
  310   1HG1  VAL  45          1HG1      VAL  45   7.438   9.126  -5.012
  311   2HG1  VAL  45          2HG1      VAL  45   6.311   9.899  -3.871
  312   3HG1  VAL  45          3HG1      VAL  45   7.400   8.606  -3.310
  313   1HG2  VAL  45          1HG2      VAL  45   4.215   8.490  -3.072
  314   2HG2  VAL  45          2HG2      VAL  45   4.212   6.761  -3.494
  315   3HG2  VAL  45          3HG2      VAL  45   5.467   7.411  -2.412
  316    HA   PRO  46           HA       PRO  46   1.493   6.242  -6.458
  317   1HB   PRO  46          1HB       PRO  46   1.959   3.564  -6.171
  318   2HB   PRO  46          2HB       PRO  46   2.147   4.412  -7.694
  319   1HG   PRO  46          1HG       PRO  46   4.238   3.437  -5.845
  320   2HG   PRO  46          2HG       PRO  46   4.388   3.891  -7.531
  321   1HD   PRO  46          1HD       PRO  46   5.198   5.441  -5.257
  322   2HD   PRO  46          2HD       PRO  46   5.241   5.942  -6.936
  323    H    TRP  47           H        TRP  47   0.662   7.346  -4.640
  324    HA   TRP  47           HA       TRP  47   0.956   6.953  -2.092
  325   1HB   TRP  47          1HB       TRP  47  -1.527   7.223  -3.716
  326   2HB   TRP  47          2HB       TRP  47  -1.704   6.859  -2.011
  327    HD1  TRP  47           HD1      TRP  47   1.172   9.166  -3.110
  328    HE1  TRP  47           HE1      TRP  47   0.803  11.636  -2.255
  329    HE3  TRP  47           HE3      TRP  47  -3.559   8.426  -1.398
  330    HZ2  TRP  47           HZ2      TRP  47  -1.377  12.972  -0.987
  331    HZ3  TRP  47           HZ3      TRP  47  -4.737  10.365  -0.365
  332    HH2  TRP  47           HH2      TRP  47  -3.722  12.577  -0.146
  333    H    CYS  48           H        CYS  48  -1.097   4.695  -4.082
  334    HA   CYS  48           HA       CYS  48  -0.958   2.765  -1.936
  335   1HB   CYS  48          1HB       CYS  48  -3.043   3.353  -3.337
  336   2HB   CYS  48          2HB       CYS  48  -2.319   2.367  -4.592
  337    H    PHE  49           H        PHE  49   0.673   1.258  -1.881
  338    HA   PHE  49           HA       PHE  49   1.718   0.305  -4.427
  339   1HB   PHE  49          1HB       PHE  49   4.048   0.532  -3.267
  340   2HB   PHE  49          2HB       PHE  49   3.315   2.029  -3.809
  341    HD1  PHE  49           HD1      PHE  49   3.617  -0.131  -0.789
  342    HD2  PHE  49           HD2      PHE  49   3.053   3.790  -2.313
  343    HE1  PHE  49           HE1      PHE  49   3.799   0.799   1.535
  344    HE2  PHE  49           HE2      PHE  49   3.235   4.719   0.011
  345    HZ   PHE  49           HZ       PHE  49   3.606   3.213   1.908
  346    H    LYS  50           H        LYS  50   3.150  -1.683  -4.086
  347    HA   LYS  50           HA       LYS  50   1.758  -3.492  -2.430
  348   1HB   LYS  50          1HB       LYS  50   4.434  -3.907  -3.786
  349   2HB   LYS  50          2HB       LYS  50   3.292  -5.137  -3.283
  350   1HG   LYS  50          1HG       LYS  50   1.588  -4.116  -4.875
  351   2HG   LYS  50          2HG       LYS  50   2.838  -3.028  -5.445
  352   1HD   LYS  50          1HD       LYS  50   3.146  -4.709  -6.999
  353   2HD   LYS  50          2HD       LYS  50   4.200  -5.339  -5.749
  354   1HE   LYS  50          1HE       LYS  50   2.648  -6.979  -5.065
  355   2HE   LYS  50          2HE       LYS  50   1.269  -6.078  -5.664
  356   1HZ   LYS  50          1HZ       LYS  50   3.201  -6.890  -7.641
  357   2HZ   LYS  50          2HZ       LYS  50   2.331  -8.092  -6.959
  358   3HZ   LYS  50          3HZ       LYS  50   1.570  -6.867  -7.725
  359    HA   PRO  51           HA       PRO  51   4.057  -3.329   1.219
  360   1HB   PRO  51          1HB       PRO  51   4.175  -5.928   2.054
  361   2HB   PRO  51          2HB       PRO  51   2.753  -4.923   2.249
  362   1HG   PRO  51          1HG       PRO  51   3.228  -7.106   0.314
  363   2HG   PRO  51          2HG       PRO  51   1.707  -6.389   0.808
  364   1HD   PRO  51          1HD       PRO  51   3.109  -5.915  -1.649
  365   2HD   PRO  51          2HD       PRO  51   1.650  -5.113  -1.103
  366    H    LEU  52           H        LEU  52   6.091  -2.791   1.686
  367    HA   LEU  52           HA       LEU  52   8.164  -3.219   0.097
  368   1HB   LEU  52          1HB       LEU  52   8.429  -1.801   1.928
  369   2HB   LEU  52          2HB       LEU  52   8.005  -3.045   3.088
  370    HG   LEU  52           HG       LEU  52  10.536  -3.116   1.428
  371   1HD1  LEU  52          1HD1      LEU  52   9.969  -1.806   4.074
  372   2HD1  LEU  52          2HD1      LEU  52  11.584  -2.459   3.709
  373   3HD1  LEU  52          3HD1      LEU  52  10.881  -1.192   2.674
  374   1HD2  LEU  52          1HD2      LEU  52   9.259  -4.995   3.194
  375   2HD2  LEU  52          2HD2      LEU  52  10.742  -5.174   2.226
  376   3HD2  LEU  52          3HD2      LEU  52  10.829  -4.495   3.869
  377    H    GLN  53           H        GLN  53   9.515  -4.834  -0.581
  378    HA   GLN  53           HA       GLN  53   8.706  -7.452  -0.164
  379   1HB   GLN  53          1HB       GLN  53  11.031  -7.944  -1.242
  380   2HB   GLN  53          2HB       GLN  53   9.844  -7.065  -2.184
  381   1HG   GLN  53          1HG       GLN  53  11.540  -5.315  -0.487
  382   2HG   GLN  53          2HG       GLN  53  12.446  -6.217  -1.686
  383   2HE2  GLN  53          2HE2      GLN  53  10.935  -3.404  -1.121
  384   1HE2  GLN  53          1HE2      GLN  53  10.480  -2.914  -2.719
  385    H    GLU  54           H        GLU  54   8.603  -7.538   2.236
  386    HA   GLU  54           HA       GLU  54  10.596  -7.092   3.954
  387   1HB   GLU  54          1HB       GLU  54   9.437  -8.462   5.475
  388   2HB   GLU  54          2HB       GLU  54   8.191  -8.027   4.322
  389   1HG   GLU  54          1HG       GLU  54   7.881 -10.344   4.461
  390   2HG   GLU  54          2HG       GLU  54   8.932 -10.232   3.064
  391    H    ALA  55           H        ALA  55  12.671  -7.798   4.221
  392    HA   ALA  55           HA       ALA  55  13.354 -10.530   3.837
  393   1HB   ALA  55          1HB       ALA  55  13.917 -10.479   1.663
  394   2HB   ALA  55          2HB       ALA  55  15.165  -9.273   2.056
  395   3HB   ALA  55          3HB       ALA  55  13.539  -8.742   1.565
  396    H    GLU  56           H        GLU  56  15.441 -10.991   4.734
  397    HA   GLU  56           HA       GLU  56  16.415  -8.757   6.309
  398   1HB   GLU  56          1HB       GLU  56  15.694 -10.911   7.435
  399   2HB   GLU  56          2HB       GLU  56  17.018 -11.729   6.631
  400   1HG   GLU  56          1HG       GLU  56  18.003  -9.304   7.917
  401   2HG   GLU  56          2HG       GLU  56  17.111 -10.265   9.079
  402    H    CYS  57           H        CYS  57  17.858  -7.640   4.984
  403    HA   CYS  57           HA       CYS  57  19.921  -9.261   3.697
  404   1HB   CYS  57          1HB       CYS  57  18.836  -6.511   3.117
  405   2HB   CYS  57          2HB       CYS  57  20.383  -7.038   2.486
  406    H    THR  58           H        THR  58  22.167  -8.088   3.692
  407    HA   THR  58           HA       THR  58  22.938  -7.680   6.370
  408    HB   THR  58           HB       THR  58  24.285  -8.591   4.352
  409    HG1  THR  58           HG1      THR  58  25.187  -6.363   6.038
  410   1HG2  THR  58          1HG2      THR  58  23.727  -6.288   3.060
  411   2HG2  THR  58          2HG2      THR  58  25.150  -5.723   3.967
  412   3HG2  THR  58          3HG2      THR  58  25.297  -7.101   2.850
  413    H    PHE  59           H        PHE  59  23.656  -5.835   7.488
  414    HA   PHE  59           HA       PHE  59  23.381  -3.761   8.200
  415   1HB   PHE  59          1HB       PHE  59  24.314  -3.695   5.355
  416   2HB   PHE  59          2HB       PHE  59  23.614  -2.177   5.883
  417    HD1  PHE  59           HD1      PHE  59  24.683  -0.856   7.635
  418    HD2  PHE  59           HD2      PHE  59  26.397  -4.501   6.299
  419    HE1  PHE  59           HE1      PHE  59  26.851  -0.241   8.740
  420    HE2  PHE  59           HE2      PHE  59  28.566  -3.886   7.405
  421    HZ   PHE  59           HZ       PHE  59  28.766  -1.763   8.612

  No H/Q in entry =         421
  Start of MODEL   71
    1    H    GLU   1           H        GLU   1   0.406 -14.415  18.696
    2    HA   GLU   1           HA       GLU   1   1.691 -15.112  16.229
    3   1HB   GLU   1          1HB       GLU   1  -0.830 -13.560  16.927
    4   2HB   GLU   1          2HB       GLU   1  -0.241 -13.674  15.280
    5   1HG   GLU   1          1HG       GLU   1  -0.303 -16.184  15.452
    6   2HG   GLU   1          2HG       GLU   1  -0.942 -16.044  17.078
    7    H    GLU   2           H        GLU   2   2.062 -13.289  14.552
    8    HA   GLU   2           HA       GLU   2   2.741 -10.780  15.788
    9   1HB   GLU   2          1HB       GLU   2   4.729 -12.808  15.143
   10   2HB   GLU   2          2HB       GLU   2   4.996 -11.382  14.160
   11   1HG   GLU   2          1HG       GLU   2   5.448 -10.016  15.996
   12   2HG   GLU   2          2HG       GLU   2   4.407 -10.925  17.073
   13    H    TYR   3           H        TYR   3   3.457  -9.141  14.033
   14    HA   TYR   3           HA       TYR   3   2.893  -8.037  12.193
   15   1HB   TYR   3          1HB       TYR   3   4.465  -9.592  11.134
   16   2HB   TYR   3          2HB       TYR   3   3.334 -10.925  11.258
   17    HD1  TYR   3           HD1      TYR   3   3.950  -7.703   9.489
   18    HD2  TYR   3           HD2      TYR   3   1.837 -11.423   9.490
   19    HE1  TYR   3           HE1      TYR   3   3.161  -7.264   7.112
   20    HE2  TYR   3           HE2      TYR   3   1.055 -10.972   7.113
   21    HH   TYR   3           HH       TYR   3   2.436  -8.904   5.126
   22    H    VAL   4           H        VAL   4   0.842  -7.216  12.244
   23    HA   VAL   4           HA       VAL   4  -1.147  -8.315  10.668
   24    HB   VAL   4           HB       VAL   4  -1.405 -10.087  12.213
   25   1HG1  VAL   4          1HG1      VAL   4  -0.334  -8.429  14.101
   26   2HG1  VAL   4          2HG1      VAL   4  -2.040  -8.476  14.608
   27   3HG1  VAL   4          3HG1      VAL   4  -1.116  -9.989  14.450
   28   1HG2  VAL   4          1HG2      VAL   4  -3.477  -7.985  12.095
   29   2HG2  VAL   4          2HG2      VAL   4  -3.577  -9.723  11.725
   30   3HG2  VAL   4          3HG2      VAL   4  -3.683  -9.165  13.411
   31    H    GLY   5           H        GLY   5  -1.189  -6.139   9.979
   32   1HA   GLY   5          1HA       GLY   5  -2.968  -4.451  11.401
   33   2HA   GLY   5          2HA       GLY   5  -2.056  -4.060   9.957
   34    H    LEU   6           H        LEU   6   0.361  -5.147  11.871
   35    HA   LEU   6           HA       LEU   6   0.668  -3.280  13.886
   36   1HB   LEU   6          1HB       LEU   6   2.913  -3.987  13.994
   37   2HB   LEU   6          2HB       LEU   6   1.940  -5.384  13.576
   38    HG   LEU   6           HG       LEU   6   3.837  -5.590  12.241
   39   1HD1  LEU   6          1HD1      LEU   6   1.748  -4.221  10.527
   40   2HD1  LEU   6          2HD1      LEU   6   3.095  -5.211   9.915
   41   3HD1  LEU   6          3HD1      LEU   6   1.835  -5.952  10.932
   42   1HD2  LEU   6          1HD2      LEU   6   4.462  -3.097  12.725
   43   2HD2  LEU   6          2HD2      LEU   6   5.099  -3.919  11.281
   44   3HD2  LEU   6          3HD2      LEU   6   3.718  -2.805  11.135
   45    H    SER   7           H        SER   7   3.129  -1.970  13.458
   46    HA   SER   7           HA       SER   7   2.339   0.394  12.466
   47   1HB   SER   7          1HB       SER   7   4.746   0.966  12.283
   48   2HB   SER   7          2HB       SER   7   4.407   0.079  13.756
   49    HG   SER   7           HG       SER   7   5.992  -1.204  13.095
   50    H    ALA   8           H        ALA   8   4.042   1.363  10.473
   51    HA   ALA   8           HA       ALA   8   2.856   0.136   8.142
   52   1HB   ALA   8          1HB       ALA   8   3.645   2.122   7.003
   53   2HB   ALA   8          2HB       ALA   8   4.701   2.545   8.371
   54   3HB   ALA   8          3HB       ALA   8   2.932   2.621   8.555
   55    H    ASN   9           H        ASN   9   4.633  -1.623   9.482
   56    HA   ASN   9           HA       ASN   9   7.230  -1.470   8.584
   57   1HB   ASN   9          1HB       ASN   9   6.633  -3.039  10.347
   58   2HB   ASN   9          2HB       ASN   9   5.443  -3.832   9.334
   59   2HD2  ASN   9          2HD2      ASN   9   8.403  -4.137  10.633
   60   1HD2  ASN   9          1HD2      ASN   9   9.176  -5.209   9.513
   61    H    GLN  10           H        GLN  10   4.283  -3.134   7.262
   62    HA   GLN  10           HA       GLN  10   5.666  -4.183   5.044
   63   1HB   GLN  10          1HB       GLN  10   3.346  -4.737   4.226
   64   2HB   GLN  10          2HB       GLN  10   3.685  -5.318   5.845
   65   1HG   GLN  10          1HG       GLN  10   2.652  -2.648   6.111
   66   2HG   GLN  10          2HG       GLN  10   1.610  -3.489   4.979
   67   2HE2  GLN  10          2HE2      GLN  10   1.566  -2.623   7.944
   68   1HE2  GLN  10          1HE2      GLN  10   0.923  -3.994   8.785
   69    H    CYS  11           H        CYS  11   4.119  -1.117   5.814
   70    HA   CYS  11           HA       CYS  11   4.402  -0.341   3.002
   71   1HB   CYS  11          1HB       CYS  11   2.730   1.304   4.821
   72   2HB   CYS  11          2HB       CYS  11   2.551   0.972   3.109
   73    H    ALA  12           H        ALA  12   6.702  -0.452   4.565
   74    HA   ALA  12           HA       ALA  12   7.089   2.331   5.424
   75   1HB   ALA  12          1HB       ALA  12   9.242   0.737   6.305
   76   2HB   ALA  12          2HB       ALA  12   7.903   1.375   7.289
   77   3HB   ALA  12          3HB       ALA  12   7.785  -0.250   6.571
   78    H    VAL  13           H        VAL  13   7.026   1.972   2.699
   79    HA   VAL  13           HA       VAL  13   9.738   1.455   1.816
   80    HB   VAL  13           HB       VAL  13   7.719   2.499  -0.064
   81   1HG1  VAL  13          1HG1      VAL  13   9.964   0.589   0.006
   82   2HG1  VAL  13          2HG1      VAL  13   8.584   0.066  -0.990
   83   3HG1  VAL  13          3HG1      VAL  13   9.376   1.626  -1.316
   84   1HG2  VAL  13          1HG2      VAL  13   7.235   0.020   1.581
   85   2HG2  VAL  13          2HG2      VAL  13   6.097   1.306   1.113
   86   3HG2  VAL  13          3HG2      VAL  13   6.654   0.126  -0.098
   87    HA   PRO  14           HA       PRO  14  10.846   5.633   1.812
   88   1HB   PRO  14          1HB       PRO  14  12.916   5.617   0.027
   89   2HB   PRO  14          2HB       PRO  14  13.086   5.110   1.696
   90   1HG   PRO  14          1HG       PRO  14  12.958   3.444  -0.743
   91   2HG   PRO  14          2HG       PRO  14  13.542   3.013   0.852
   92   1HD   PRO  14          1HD       PRO  14  11.026   2.276  -0.311
   93   2HD   PRO  14          2HD       PRO  14  11.563   1.943   1.324
   94    H    ALA  15           H        ALA  15   9.137   4.267  -0.559
   95    HA   ALA  15           HA       ALA  15   7.707   5.328  -1.945
   96   1HB   ALA  15          1HB       ALA  15   9.353   7.839  -2.070
   97   2HB   ALA  15          2HB       ALA  15   7.586   7.634  -2.111
   98   3HB   ALA  15          3HB       ALA  15   8.464   7.477  -0.571
   99    H    LYS  16           H        LYS  16  11.164   5.079  -2.175
  100    HA   LYS  16           HA       LYS  16  11.094   5.363  -5.073
  101   1HB   LYS  16          1HB       LYS  16  13.546   5.228  -4.907
  102   2HB   LYS  16          2HB       LYS  16  12.883   6.523  -3.932
  103   1HG   LYS  16          1HG       LYS  16  14.564   5.356  -2.607
  104   2HG   LYS  16          2HG       LYS  16  12.991   5.027  -1.909
  105   1HD   LYS  16          1HD       LYS  16  12.953   2.800  -2.682
  106   2HD   LYS  16          2HD       LYS  16  14.064   3.124  -3.998
  107   1HE   LYS  16          1HE       LYS  16  15.967   3.091  -2.584
  108   2HE   LYS  16          2HE       LYS  16  15.030   3.434  -1.143
  109   1HZ   LYS  16          1HZ       LYS  16  13.963   1.140  -1.910
  110   2HZ   LYS  16          2HZ       LYS  16  15.489   0.924  -2.449
  111   3HZ   LYS  16          3HZ       LYS  16  15.218   1.244  -0.871
  112    H    ASP  17           H        ASP  17   9.957   3.100  -3.156
  113    HA   ASP  17           HA       ASP  17  11.040   0.990  -4.835
  114   1HB   ASP  17          1HB       ASP  17  11.299   1.248  -1.960
  115   2HB   ASP  17          2HB       ASP  17  10.258  -0.121  -2.295
  116    H    ARG  18           H        ARG  18   8.502   2.826  -4.499
  117    HA   ARG  18           HA       ARG  18   6.479   1.041  -3.675
  118   1HB   ARG  18          1HB       ARG  18   6.104   3.555  -5.365
  119   2HB   ARG  18          2HB       ARG  18   4.942   2.828  -4.273
  120   1HG   ARG  18          1HG       ARG  18   7.614   4.029  -3.403
  121   2HG   ARG  18          2HG       ARG  18   6.076   4.863  -3.310
  122   1HD   ARG  18          1HD       ARG  18   5.307   2.710  -1.945
  123   2HD   ARG  18          2HD       ARG  18   7.027   2.468  -1.715
  124    HE   ARG  18           HE       ARG  18   6.954   4.169  -0.131
  125   1HH1  ARG  18          1HH1      ARG  18   4.420   4.761  -2.499
  126   2HH1  ARG  18          2HH1      ARG  18   3.835   6.186  -1.706
  127   1HH2  ARG  18          1HH2      ARG  18   6.183   6.048   0.916
  128   2HH2  ARG  18          2HH2      ARG  18   4.844   6.923   0.250
  129    H    VAL  19           H        VAL  19   6.371  -0.835  -4.961
  130    HA   VAL  19           HA       VAL  19   6.780  -0.840  -7.729
  131    HB   VAL  19           HB       VAL  19   5.289  -2.772  -5.941
  132   1HG1  VAL  19          1HG1      VAL  19   6.458  -3.156  -8.719
  133   2HG1  VAL  19          2HG1      VAL  19   5.793  -4.447  -7.691
  134   3HG1  VAL  19          3HG1      VAL  19   4.732  -3.148  -8.285
  135   1HG2  VAL  19          1HG2      VAL  19   7.946  -2.053  -5.794
  136   2HG2  VAL  19          2HG2      VAL  19   7.257  -3.595  -5.234
  137   3HG2  VAL  19          3HG2      VAL  19   7.991  -3.484  -6.851
  138    H    ASP  20           H        ASP  20   4.191   0.365  -5.814
  139    HA   ASP  20           HA       ASP  20   2.212   1.121  -6.269
  140   1HB   ASP  20          1HB       ASP  20   3.129   2.519  -7.968
  141   2HB   ASP  20          2HB       ASP  20   3.450   1.167  -9.036
  142    H    CYS  21           H        CYS  21   0.504  -0.318  -5.950
  143    HA   CYS  21           HA       CYS  21   0.389  -2.715  -7.534
  144   1HB   CYS  21          1HB       CYS  21  -1.870  -2.715  -5.979
  145   2HB   CYS  21          2HB       CYS  21  -0.334  -3.454  -5.574
  146    H    GLY  22           H        GLY  22  -0.715   0.539  -7.690
  147   1HA   GLY  22          1HA       GLY  22  -2.238   0.071 -10.042
  148   2HA   GLY  22          2HA       GLY  22  -2.037   1.587  -9.186
  149    H    TYR  23           H        TYR  23  -3.673   2.359  -7.847
  150    HA   TYR  23           HA       TYR  23  -6.097   0.730  -7.814
  151   1HB   TYR  23          1HB       TYR  23  -4.412   1.857  -5.536
  152   2HB   TYR  23          2HB       TYR  23  -6.152   1.841  -5.322
  153    HD1  TYR  23           HD1      TYR  23  -7.368  -0.430  -5.606
  154    HD2  TYR  23           HD2      TYR  23  -3.137  -0.068  -5.082
  155    HE1  TYR  23           HE1      TYR  23  -7.246  -2.855  -4.854
  156    HE2  TYR  23           HE2      TYR  23  -3.030  -2.494  -4.331
  157    HH   TYR  23           HH       TYR  23  -4.122  -4.321  -3.993
  158    HA   PRO  24           HA       PRO  24  -7.832   4.596  -8.716
  159   1HB   PRO  24          1HB       PRO  24 -10.477   4.039  -8.314
  160   2HB   PRO  24          2HB       PRO  24  -9.622   3.616  -9.783
  161   1HG   PRO  24          1HG       PRO  24 -10.470   1.860  -7.562
  162   2HG   PRO  24          2HG       PRO  24 -10.010   1.420  -9.195
  163   1HD   PRO  24          1HD       PRO  24  -8.412   1.144  -6.829
  164   2HD   PRO  24          2HD       PRO  24  -7.912   0.814  -8.475
  165    H    HIS  25           H        HIS  25 -10.171   3.646  -6.306
  166    HA   HIS  25           HA       HIS  25  -9.712   6.145  -4.989
  167   1HB   HIS  25          1HB       HIS  25 -11.658   5.670  -3.755
  168   2HB   HIS  25          2HB       HIS  25 -11.966   5.082  -5.377
  169    HD1  HIS  25           HD1      HIS  25 -13.489   4.013  -2.839
  170    HD2  HIS  25           HD2      HIS  25 -10.178   2.161  -4.627
  171    HE1  HIS  25           HE1      HIS  25 -13.601   1.553  -2.173
  172    HE2  HIS  25           HE2      HIS  25 -11.572   0.455  -3.346
  173    H    VAL  26           H        VAL  26  -7.462   5.848  -4.345
  174    HA   VAL  26           HA       VAL  26  -6.975   3.743  -2.408
  175    HB   VAL  26           HB       VAL  26  -4.655   4.640  -2.501
  176   1HG1  VAL  26          1HG1      VAL  26  -6.032   3.790  -5.061
  177   2HG1  VAL  26          2HG1      VAL  26  -4.265   3.952  -4.921
  178   3HG1  VAL  26          3HG1      VAL  26  -5.135   2.783  -3.900
  179   1HG2  VAL  26          1HG2      VAL  26  -5.646   6.974  -3.303
  180   2HG2  VAL  26          2HG2      VAL  26  -4.011   6.442  -3.765
  181   3HG2  VAL  26          3HG2      VAL  26  -5.362   6.266  -4.911
  182    H    THR  27           H        THR  27  -6.704   4.058  -0.207
  183    HA   THR  27           HA       THR  27  -6.577   6.764   0.818
  184    HB   THR  27           HB       THR  27  -8.688   6.751   1.889
  185    HG1  THR  27           HG1      THR  27  -8.309   3.889   1.459
  186   1HG2  THR  27          1HG2      THR  27  -9.158   4.973  -0.563
  187   2HG2  THR  27          2HG2      THR  27 -10.410   5.890   0.308
  188   3HG2  THR  27          3HG2      THR  27  -9.133   6.753  -0.582
  189    HA   PRO  28           HA       PRO  28  -4.505   4.843   4.053
  190   1HB   PRO  28          1HB       PRO  28  -5.290   6.155   6.318
  191   2HB   PRO  28          2HB       PRO  28  -4.135   6.817   5.179
  192   1HG   PRO  28          1HG       PRO  28  -6.968   7.556   5.587
  193   2HG   PRO  28          2HG       PRO  28  -5.702   8.462   4.782
  194   1HD   PRO  28          1HD       PRO  28  -7.816   6.983   3.529
  195   2HD   PRO  28          2HD       PRO  28  -6.484   7.792   2.727
  196    H    LYS  29           H        LYS  29  -6.743   3.370   3.205
  197    HA   LYS  29           HA       LYS  29  -6.844   1.504   5.247
  198   1HB   LYS  29          1HB       LYS  29  -8.239   3.522   6.209
  199   2HB   LYS  29          2HB       LYS  29  -9.499   2.903   5.160
  200   1HG   LYS  29          1HG       LYS  29  -7.988   1.039   7.025
  201   2HG   LYS  29          2HG       LYS  29  -9.338   1.987   7.615
  202   1HD   LYS  29          1HD       LYS  29  -9.706   0.394   5.074
  203   2HD   LYS  29          2HD       LYS  29  -9.706  -0.464   6.602
  204   1HE   LYS  29          1HE       LYS  29 -11.397   2.021   6.429
  205   2HE   LYS  29          2HE       LYS  29 -11.955   0.614   5.545
  206   1HZ   LYS  29          1HZ       LYS  29 -11.128  -0.203   8.068
  207   2HZ   LYS  29          2HZ       LYS  29 -12.119   1.080   8.263
  208   3HZ   LYS  29          3HZ       LYS  29 -12.636  -0.234   7.441
  209    H    GLU  30           H        GLU  30  -8.980   3.065   2.757
  210    HA   GLU  30           HA       GLU  30 -10.063   0.680   1.881
  211   1HB   GLU  30          1HB       GLU  30 -10.880   3.053   1.418
  212   2HB   GLU  30          2HB       GLU  30  -9.623   3.186   0.205
  213   1HG   GLU  30          1HG       GLU  30 -10.896   2.071  -1.303
  214   2HG   GLU  30          2HG       GLU  30 -11.027   0.694  -0.227
  215    H    CYS  31           H        CYS  31  -7.170   2.545   0.787
  216    HA   CYS  31           HA       CYS  31  -6.600   0.927  -1.409
  217   1HB   CYS  31          1HB       CYS  31  -5.479   2.901  -1.518
  218   2HB   CYS  31          2HB       CYS  31  -5.148   2.954   0.202
  219    H    ASN  32           H        ASN  32  -5.909   0.722   2.097
  220    HA   ASN  32           HA       ASN  32  -4.173  -1.526   1.677
  221   1HB   ASN  32          1HB       ASN  32  -3.507  -0.042   3.468
  222   2HB   ASN  32          2HB       ASN  32  -5.128   0.015   4.130
  223   2HD2  ASN  32          2HD2      ASN  32  -5.044  -0.863   6.058
  224   1HD2  ASN  32          1HD2      ASN  32  -4.364  -2.401   6.475
  225    H    ASN  33           H        ASN  33  -7.459  -1.021   1.604
  226    HA   ASN  33           HA       ASN  33  -8.136  -3.329   3.207
  227   1HB   ASN  33          1HB       ASN  33  -9.530  -1.241   3.379
  228   2HB   ASN  33          2HB       ASN  33  -9.910  -1.356   1.672
  229   2HD2  ASN  33          2HD2      ASN  33 -11.532  -1.487   4.186
  230   1HD2  ASN  33          1HD2      ASN  33 -12.490  -2.925   4.063
  231    H    ARG  34           H        ARG  34  -8.076  -2.030  -0.146
  232    HA   ARG  34           HA       ARG  34  -9.520  -4.083  -1.318
  233   1HB   ARG  34          1HB       ARG  34  -8.539  -1.705  -2.195
  234   2HB   ARG  34          2HB       ARG  34  -7.300  -2.750  -2.862
  235   1HG   ARG  34          1HG       ARG  34 -10.306  -3.039  -3.335
  236   2HG   ARG  34          2HG       ARG  34  -9.154  -2.386  -4.483
  237   1HD   ARG  34          1HD       ARG  34  -7.900  -4.682  -4.206
  238   2HD   ARG  34          2HD       ARG  34  -9.395  -5.250  -3.490
  239    HE   ARG  34           HE       ARG  34 -10.279  -4.072  -5.815
  240   1HH1  ARG  34          1HH1      ARG  34  -7.761  -6.437  -5.146
  241   2HH1  ARG  34          2HH1      ARG  34  -7.903  -7.214  -6.688
  242   1HH2  ARG  34          1HH2      ARG  34 -10.467  -5.097  -7.849
  243   2HH2  ARG  34          2HH2      ARG  34  -9.453  -6.446  -8.235
  244    H    GLY  35           H        GLY  35  -6.265  -3.897  -0.053
  245   1HA   GLY  35          1HA       GLY  35  -5.624  -6.494  -1.319
  246   2HA   GLY  35          2HA       GLY  35  -5.222  -6.065   0.332
  247    H    CYS  36           H        CYS  36  -3.794  -4.045   0.627
  248    HA   CYS  36           HA       CYS  36  -1.425  -4.395  -0.684
  249   1HB   CYS  36          1HB       CYS  36  -3.150  -3.177  -2.461
  250   2HB   CYS  36          2HB       CYS  36  -2.285  -1.815  -1.778
  251    H    CYS  37           H        CYS  37  -0.638  -1.518  -0.715
  252    HA   CYS  37           HA       CYS  37  -1.170  -0.857   2.088
  253   1HB   CYS  37          1HB       CYS  37   1.430  -1.158   0.666
  254   2HB   CYS  37          2HB       CYS  37   1.285   0.164   1.808
  255    H    PHE  38           H        PHE  38  -1.173   1.476   2.525
  256    HA   PHE  38           HA       PHE  38  -1.496   3.048   0.066
  257   1HB   PHE  38          1HB       PHE  38  -3.601   2.732   1.340
  258   2HB   PHE  38          2HB       PHE  38  -2.796   3.115   2.849
  259    HD1  PHE  38           HD1      PHE  38  -4.153   4.514  -0.261
  260    HD2  PHE  38           HD2      PHE  38  -2.386   5.400   3.495
  261    HE1  PHE  38           HE1      PHE  38  -4.814   6.922  -0.518
  262    HE2  PHE  38           HE2      PHE  38  -3.048   7.808   3.238
  263    HZ   PHE  38           HZ       PHE  38  -4.253   8.540   1.235
  264    H    ASP  39           H        ASP  39  -1.302   5.555   0.675
  265    HA   ASP  39           HA       ASP  39   0.348   6.252   2.783
  266   1HB   ASP  39          1HB       ASP  39   2.178   5.128   1.705
  267   2HB   ASP  39          2HB       ASP  39   1.706   5.706   0.119
  268    H    SER  40           H        SER  40   0.545   8.597   2.828
  269    HA   SER  40           HA       SER  40  -0.426   9.941   0.440
  270   1HB   SER  40          1HB       SER  40  -1.842  11.423   1.827
  271   2HB   SER  40          2HB       SER  40  -2.340   9.750   1.979
  272    HG   SER  40           HG       SER  40  -0.409  10.456   3.866
  273    H    ARG  41           H        ARG  41   2.184   9.429   2.184
  274    HA   ARG  41           HA       ARG  41   2.915  11.807   3.325
  275   1HB   ARG  41          1HB       ARG  41   4.074   9.360   3.096
  276   2HB   ARG  41          2HB       ARG  41   5.015  10.199   1.879
  277   1HG   ARG  41          1HG       ARG  41   4.724  11.793   4.345
  278   2HG   ARG  41          2HG       ARG  41   5.474  10.239   4.652
  279   1HD   ARG  41          1HD       ARG  41   7.269  10.669   3.110
  280   2HD   ARG  41          2HD       ARG  41   6.414  11.998   2.353
  281    HE   ARG  41           HE       ARG  41   7.218  13.416   4.024
  282   1HH1  ARG  41          1HH1      ARG  41   7.387  10.097   5.180
  283   2HH1  ARG  41          2HH1      ARG  41   8.209  10.515   6.647
  284   1HH2  ARG  41          1HH2      ARG  41   8.302  13.969   5.958
  285   2HH2  ARG  41          2HH2      ARG  41   8.733  12.732   7.092
  286    H    ILE  42           H        ILE  42   3.460  10.553  -0.040
  287    HA   ILE  42           HA       ILE  42   3.631  13.307  -0.951
  288    HB   ILE  42           HB       ILE  42   5.626  12.161  -2.420
  289   1HG1  ILE  42          1HG1      ILE  42   7.203  11.162  -0.788
  290   2HG1  ILE  42          2HG1      ILE  42   5.942  11.171   0.429
  291   1HG2  ILE  42          1HG2      ILE  42   5.551  14.432  -1.470
  292   2HG2  ILE  42          2HG2      ILE  42   5.947  13.764   0.131
  293   3HG2  ILE  42          3HG2      ILE  42   7.120  13.635  -1.202
  294   1HD1  ILE  42          1HD1      ILE  42   5.095   9.934  -2.130
  295   2HD1  ILE  42          2HD1      ILE  42   6.433   9.085  -1.320
  296   3HD1  ILE  42          3HD1      ILE  42   4.896   9.346  -0.461
  297    HA   PRO  43           HA       PRO  43   1.167  11.460  -3.998
  298   1HB   PRO  43          1HB       PRO  43   0.871  13.610  -5.660
  299   2HB   PRO  43          2HB       PRO  43  -0.100  13.370  -4.220
  300   1HG   PRO  43          1HG       PRO  43   2.135  15.256  -4.656
  301   2HG   PRO  43          2HG       PRO  43   0.898  15.287  -3.414
  302   1HD   PRO  43          1HD       PRO  43   3.625  14.455  -3.100
  303   2HD   PRO  43          2HD       PRO  43   2.359  14.377  -1.891
  304    H    GLY  44           H        GLY  44   4.085  13.151  -4.879
  305   1HA   GLY  44          1HA       GLY  44   5.734  12.444  -6.269
  306   2HA   GLY  44          2HA       GLY  44   4.459  12.567  -7.464
  307    H    VAL  45           H        VAL  45   4.933  10.228  -4.725
  308    HA   VAL  45           HA       VAL  45   5.444   8.115  -6.640
  309    HB   VAL  45           HB       VAL  45   6.315   6.946  -4.896
  310   1HG1  VAL  45          1HG1      VAL  45   7.080   9.549  -5.010
  311   2HG1  VAL  45          2HG1      VAL  45   6.602   9.428  -3.300
  312   3HG1  VAL  45          3HG1      VAL  45   7.841   8.332  -3.957
  313   1HG2  VAL  45          1HG2      VAL  45   4.362   8.364  -3.057
  314   2HG2  VAL  45          2HG2      VAL  45   4.312   6.667  -3.590
  315   3HG2  VAL  45          3HG2      VAL  45   5.611   7.222  -2.507
  316    HA   PRO  46           HA       PRO  46   1.494   6.364  -6.439
  317   1HB   PRO  46          1HB       PRO  46   1.897   3.672  -6.191
  318   2HB   PRO  46          2HB       PRO  46   2.083   4.533  -7.706
  319   1HG   PRO  46          1HG       PRO  46   4.176   3.484  -5.901
  320   2HG   PRO  46          2HG       PRO  46   4.312   3.955  -7.584
  321   1HD   PRO  46          1HD       PRO  46   5.196   5.456  -5.305
  322   2HD   PRO  46          2HD       PRO  46   5.226   5.976  -6.978
  323    H    TRP  47           H        TRP  47   0.638   7.423  -4.633
  324    HA   TRP  47           HA       TRP  47   0.977   7.025  -2.080
  325   1HB   TRP  47          1HB       TRP  47  -1.502   7.351  -3.687
  326   2HB   TRP  47          2HB       TRP  47  -1.697   6.928  -1.998
  327    HD1  TRP  47           HD1      TRP  47   1.223   9.235  -2.947
  328    HE1  TRP  47           HE1      TRP  47   0.860  11.681  -2.026
  329    HE3  TRP  47           HE3      TRP  47  -3.568   8.508  -1.407
  330    HZ2  TRP  47           HZ2      TRP  47  -1.340  13.007  -0.784
  331    HZ3  TRP  47           HZ3      TRP  47  -4.752  10.430  -0.350
  332    HH2  TRP  47           HH2      TRP  47  -3.715  12.620  -0.030
  333    H    CYS  48           H        CYS  48  -1.078   4.783  -4.084
  334    HA   CYS  48           HA       CYS  48  -0.972   2.848  -1.943
  335   1HB   CYS  48          1HB       CYS  48  -3.025   3.448  -3.405
  336   2HB   CYS  48          2HB       CYS  48  -2.279   2.428  -4.619
  337    H    PHE  49           H        PHE  49   0.462   1.129  -1.926
  338    HA   PHE  49           HA       PHE  49   1.595   0.228  -4.424
  339   1HB   PHE  49          1HB       PHE  49   3.931   0.473  -3.294
  340   2HB   PHE  49          2HB       PHE  49   3.194   1.967  -3.839
  341    HD1  PHE  49           HD1      PHE  49   3.500  -0.171  -0.802
  342    HD2  PHE  49           HD2      PHE  49   2.982   3.743  -2.359
  343    HE1  PHE  49           HE1      PHE  49   3.711   0.777   1.512
  344    HE2  PHE  49           HE2      PHE  49   3.193   4.691  -0.044
  345    HZ   PHE  49           HZ       PHE  49   3.556   3.197   1.863
  346    H    LYS  50           H        LYS  50   3.042  -1.751  -4.031
  347    HA   LYS  50           HA       LYS  50   1.642  -3.521  -2.334
  348   1HB   LYS  50          1HB       LYS  50   4.291  -3.932  -3.751
  349   2HB   LYS  50          2HB       LYS  50   3.231  -5.181  -3.129
  350   1HG   LYS  50          1HG       LYS  50   1.427  -3.912  -4.688
  351   2HG   LYS  50          2HG       LYS  50   2.874  -3.414  -5.542
  352   1HD   LYS  50          1HD       LYS  50   3.306  -6.152  -5.087
  353   2HD   LYS  50          2HD       LYS  50   1.589  -6.068  -5.426
  354   1HE   LYS  50          1HE       LYS  50   2.770  -4.349  -7.342
  355   2HE   LYS  50          2HE       LYS  50   3.859  -5.720  -7.256
  356   1HZ   LYS  50          1HZ       LYS  50   1.371  -6.808  -7.250
  357   2HZ   LYS  50          2HZ       LYS  50   1.259  -5.592  -8.335
  358   3HZ   LYS  50          3HZ       LYS  50   2.396  -6.750  -8.520
  359    HA   PRO  51           HA       PRO  51   3.961  -3.281   1.298
  360   1HB   PRO  51          1HB       PRO  51   4.064  -5.860   2.196
  361   2HB   PRO  51          2HB       PRO  51   2.651  -4.839   2.374
  362   1HG   PRO  51          1HG       PRO  51   3.099  -7.073   0.490
  363   2HG   PRO  51          2HG       PRO  51   1.586  -6.333   0.975
  364   1HD   PRO  51          1HD       PRO  51   2.978  -5.930  -1.500
  365   2HD   PRO  51          2HD       PRO  51   1.528  -5.103  -0.967
  366    H    LEU  52           H        LEU  52   6.001  -2.718   1.693
  367    HA   LEU  52           HA       LEU  52   8.057  -3.224   0.113
  368   1HB   LEU  52          1HB       LEU  52   8.314  -1.736   1.905
  369   2HB   LEU  52          2HB       LEU  52   7.949  -2.960   3.104
  370    HG   LEU  52           HG       LEU  52  10.428  -3.052   1.372
  371   1HD1  LEU  52          1HD1      LEU  52   9.819  -1.303   3.620
  372   2HD1  LEU  52          2HD1      LEU  52  11.239  -2.332   3.928
  373   3HD1  LEU  52          3HD1      LEU  52  11.193  -1.285   2.489
  374   1HD2  LEU  52          1HD2      LEU  52   9.242  -4.864   3.251
  375   2HD2  LEU  52          2HD2      LEU  52  10.725  -5.049   2.285
  376   3HD2  LEU  52          3HD2      LEU  52  10.799  -4.286   3.891
  377    H    GLN  53           H        GLN  53   9.313  -4.895  -0.574
  378    HA   GLN  53           HA       GLN  53   8.524  -7.486   0.116
  379   1HB   GLN  53          1HB       GLN  53  10.185  -8.215  -1.459
  380   2HB   GLN  53          2HB       GLN  53   9.518  -6.724  -2.095
  381   1HG   GLN  53          1HG       GLN  53  12.245  -7.252  -0.949
  382   2HG   GLN  53          2HG       GLN  53  11.793  -6.281  -2.337
  383   2HE2  GLN  53          2HE2      GLN  53  10.527  -4.290  -1.880
  384   1HE2  GLN  53          1HE2      GLN  53  10.954  -3.337  -0.498
  385    H    GLU  54           H        GLU  54   8.843  -6.872   2.579
  386    HA   GLU  54           HA       GLU  54  11.111  -6.495   3.844
  387   1HB   GLU  54          1HB       GLU  54  10.132  -7.479   5.738
  388   2HB   GLU  54          2HB       GLU  54   8.738  -7.119   4.739
  389   1HG   GLU  54          1HG       GLU  54   9.019  -9.535   3.790
  390   2HG   GLU  54          2HG       GLU  54  10.095  -9.812   5.144
  391    H    ALA  55           H        ALA  55  13.127  -7.399   3.996
  392    HA   ALA  55           HA       ALA  55  13.523 -10.198   3.932
  393   1HB   ALA  55          1HB       ALA  55  14.562 -10.480   1.815
  394   2HB   ALA  55          2HB       ALA  55  13.064  -9.582   1.473
  395   3HB   ALA  55          3HB       ALA  55  14.624  -8.726   1.519
  396    H    GLU  56           H        GLU  56  14.112  -8.305   5.843
  397    HA   GLU  56           HA       GLU  56  16.773  -7.364   5.398
  398   1HB   GLU  56          1HB       GLU  56  14.733  -6.392   6.881
  399   2HB   GLU  56          2HB       GLU  56  15.525  -7.332   8.130
  400   1HG   GLU  56          1HG       GLU  56  17.375  -5.958   8.192
  401   2HG   GLU  56          2HG       GLU  56  17.375  -5.697   6.459
  402    H    CYS  57           H        CYS  57  17.385  -9.781   4.933
  403    HA   CYS  57           HA       CYS  57  19.057 -10.649   6.907
  404   1HB   CYS  57          1HB       CYS  57  16.472 -11.260   7.697
  405   2HB   CYS  57          2HB       CYS  57  17.034 -12.757   6.980
  406    H    THR  58           H        THR  58  19.866 -12.986   6.337
  407    HA   THR  58           HA       THR  58  19.388 -13.456   3.466
  408    HB   THR  58           HB       THR  58  21.638 -12.434   4.083
  409    HG1  THR  58           HG1      THR  58  22.537 -13.898   2.596
  410   1HG2  THR  58          1HG2      THR  58  21.629 -14.172   6.234
  411   2HG2  THR  58          2HG2      THR  58  22.571 -15.103   5.045
  412   3HG2  THR  58          3HG2      THR  58  23.109 -13.477   5.530
  413    H    PHE  59           H        PHE  59  19.708 -15.702   2.734
  414    HA   PHE  59           HA       PHE  59  18.105 -17.453   3.986
  415   1HB   PHE  59          1HB       PHE  59  20.288 -17.433   1.997
  416   2HB   PHE  59          2HB       PHE  59  20.286 -18.955   2.866
  417    HD1  PHE  59           HD1      PHE  59  18.293 -16.756   0.686
  418    HD2  PHE  59           HD2      PHE  59  18.559 -20.573   2.522
  419    HE1  PHE  59           HE1      PHE  59  16.433 -17.590  -0.778
  420    HE2  PHE  59           HE2      PHE  59  16.699 -21.407   1.057
  421    HZ   PHE  59           HZ       PHE  59  15.658 -19.905  -0.575

  No H/Q in entry =         421
  Start of MODEL   72
    1    H    GLU   1           H        GLU   1   7.534  -7.556  14.492
    2    HA   GLU   1           HA       GLU   1   9.631  -7.229  15.799
    3   1HB   GLU   1          1HB       GLU   1   7.572  -5.805  17.488
    4   2HB   GLU   1          2HB       GLU   1   8.907  -6.613  18.285
    5   1HG   GLU   1          1HG       GLU   1  10.530  -5.321  16.894
    6   2HG   GLU   1          2HG       GLU   1   9.202  -4.525  16.073
    7    H    GLU   2           H        GLU   2   6.424  -7.886  17.402
    8    HA   GLU   2           HA       GLU   2   7.287 -10.666  17.564
    9   1HB   GLU   2          1HB       GLU   2   7.069  -9.003  19.753
   10   2HB   GLU   2          2HB       GLU   2   5.466  -9.709  19.713
   11   1HG   GLU   2          1HG       GLU   2   7.706 -11.641  19.297
   12   2HG   GLU   2          2HG       GLU   2   7.651 -10.902  20.886
   13    H    TYR   3           H        TYR   3   5.938 -10.128  15.358
   14    HA   TYR   3           HA       TYR   3   3.548 -11.562  15.614
   15   1HB   TYR   3          1HB       TYR   3   2.676  -9.461  16.581
   16   2HB   TYR   3          2HB       TYR   3   3.502  -8.498  15.372
   17    HD1  TYR   3           HD1      TYR   3   0.960 -11.267  15.497
   18    HD2  TYR   3           HD2      TYR   3   2.206  -7.601  13.675
   19    HE1  TYR   3           HE1      TYR   3  -1.137 -11.260  14.059
   20    HE2  TYR   3           HE2      TYR   3   0.104  -7.607  12.244
   21    HH   TYR   3           HH       TYR   3  -2.526  -9.490  12.915
   22    H    VAL   4           H        VAL   4   3.852  -8.674  13.517
   23    HA   VAL   4           HA       VAL   4   5.009 -10.237  11.387
   24    HB   VAL   4           HB       VAL   4   2.315  -8.984  10.917
   25   1HG1  VAL   4          1HG1      VAL   4   4.181  -9.819   9.149
   26   2HG1  VAL   4          2HG1      VAL   4   3.286 -11.339   9.387
   27   3HG1  VAL   4          3HG1      VAL   4   2.430  -9.879   8.834
   28   1HG2  VAL   4          1HG2      VAL   4   2.014 -10.668  12.683
   29   2HG2  VAL   4          2HG2      VAL   4   1.281 -11.195  11.149
   30   3HG2  VAL   4          3HG2      VAL   4   2.838 -11.879  11.672
   31    H    GLY   5           H        GLY   5   3.421  -7.971   9.721
   32   1HA   GLY   5          1HA       GLY   5   4.598  -6.227   8.666
   33   2HA   GLY   5          2HA       GLY   5   5.567  -5.996  10.108
   34    H    LEU   6           H        LEU   6   3.446  -6.054  12.088
   35    HA   LEU   6           HA       LEU   6   1.263  -4.513  11.603
   36   1HB   LEU   6          1HB       LEU   6   2.492  -5.626  13.788
   37   2HB   LEU   6          2HB       LEU   6   2.614  -3.913  14.138
   38    HG   LEU   6           HG       LEU   6   0.043  -5.392  13.513
   39   1HD1  LEU   6          1HD1      LEU   6   1.150  -4.396  16.153
   40   2HD1  LEU   6          2HD1      LEU   6  -0.485  -5.052  15.898
   41   3HD1  LEU   6          3HD1      LEU   6   0.939  -6.092  15.655
   42   1HD2  LEU   6          1HD2      LEU   6   0.702  -2.516  13.845
   43   2HD2  LEU   6          2HD2      LEU   6  -0.579  -3.307  12.895
   44   3HD2  LEU   6          3HD2      LEU   6  -0.772  -3.102  14.653
   45    H    SER   7           H        SER   7   0.768  -2.231  11.890
   46    HA   SER   7           HA       SER   7   1.146  -0.081  11.781
   47   1HB   SER   7          1HB       SER   7   3.128   0.905  12.514
   48   2HB   SER   7          2HB       SER   7   3.254  -0.681  13.248
   49    HG   SER   7           HG       SER   7   5.090   0.391  11.772
   50    H    ALA   8           H        ALA   8   3.653   1.067  10.372
   51    HA   ALA   8           HA       ALA   8   2.715   0.458   7.676
   52   1HB   ALA   8          1HB       ALA   8   4.677   2.556   7.783
   53   2HB   ALA   8          2HB       ALA   8   2.943   2.674   7.403
   54   3HB   ALA   8          3HB       ALA   8   3.496   2.818   9.088
   55    H    ASN   9           H        ASN   9   4.548  -1.254   9.502
   56    HA   ASN   9           HA       ASN   9   7.127  -1.147   8.790
   57   1HB   ASN   9          1HB       ASN   9   6.232  -2.821  10.371
   58   2HB   ASN   9          2HB       ASN   9   5.336  -3.613   9.090
   59   2HD2  ASN   9          2HD2      ASN   9   7.441  -4.564  10.932
   60   1HD2  ASN   9          1HD2      ASN   9   8.692  -5.250   9.950
   61    H    GLN  10           H        GLN  10   4.809  -3.499   7.241
   62    HA   GLN  10           HA       GLN  10   6.378  -4.031   5.074
   63   1HB   GLN  10          1HB       GLN  10   4.446  -5.098   4.125
   64   2HB   GLN  10          2HB       GLN  10   4.312  -5.284   5.863
   65   1HG   GLN  10          1HG       GLN  10   2.913  -3.117   4.223
   66   2HG   GLN  10          2HG       GLN  10   2.150  -4.584   4.805
   67   2HE2  GLN  10          2HE2      GLN  10   1.328  -4.659   6.780
   68   1HE2  GLN  10          1HE2      GLN  10   1.480  -3.440   8.002
   69    H    CYS  11           H        CYS  11   4.305  -1.254   5.751
   70    HA   CYS  11           HA       CYS  11   4.630  -0.366   2.986
   71   1HB   CYS  11          1HB       CYS  11   2.921   1.213   4.796
   72   2HB   CYS  11          2HB       CYS  11   2.679   0.749   3.124
   73    H    ALA  12           H        ALA  12   6.919  -0.409   4.680
   74    HA   ALA  12           HA       ALA  12   7.180   2.398   5.497
   75   1HB   ALA  12          1HB       ALA  12   9.127   1.544   6.814
   76   2HB   ALA  12          2HB       ALA  12   7.585   0.790   7.285
   77   3HB   ALA  12          3HB       ALA  12   8.738  -0.103   6.264
   78    H    VAL  13           H        VAL  13   7.145   1.817   2.724
   79    HA   VAL  13           HA       VAL  13   9.868   1.504   1.856
   80    HB   VAL  13           HB       VAL  13   7.801   2.491  -0.008
   81   1HG1  VAL  13          1HG1      VAL  13  10.115   0.656   0.030
   82   2HG1  VAL  13          2HG1      VAL  13   8.754   0.124  -0.986
   83   3HG1  VAL  13          3HG1      VAL  13   9.505   1.714  -1.265
   84   1HG2  VAL  13          1HG2      VAL  13   7.412   0.019   1.656
   85   2HG2  VAL  13          2HG2      VAL  13   6.219   1.219   1.102
   86   3HG2  VAL  13          3HG2      VAL  13   6.884   0.030  -0.044
   87    HA   PRO  14           HA       PRO  14  10.844   5.716   1.878
   88   1HB   PRO  14          1HB       PRO  14  12.926   5.768   0.109
   89   2HB   PRO  14          2HB       PRO  14  13.099   5.264   1.778
   90   1HG   PRO  14          1HG       PRO  14  13.042   3.599  -0.665
   91   2HG   PRO  14          2HG       PRO  14  13.628   3.183   0.934
   92   1HD   PRO  14          1HD       PRO  14  11.145   2.370  -0.249
   93   2HD   PRO  14          2HD       PRO  14  11.679   2.051   1.389
   94    H    ALA  15           H        ALA  15   9.218   4.291  -0.529
   95    HA   ALA  15           HA       ALA  15   7.755   5.318  -1.914
   96   1HB   ALA  15          1HB       ALA  15   9.333   7.871  -2.043
   97   2HB   ALA  15          2HB       ALA  15   7.572   7.618  -2.079
   98   3HB   ALA  15          3HB       ALA  15   8.457   7.490  -0.541
   99    H    LYS  16           H        LYS  16  11.223   5.171  -2.122
  100    HA   LYS  16           HA       LYS  16  11.165   5.446  -5.021
  101   1HB   LYS  16          1HB       LYS  16  13.618   5.364  -4.836
  102   2HB   LYS  16          2HB       LYS  16  12.918   6.645  -3.868
  103   1HG   LYS  16          1HG       LYS  16  14.628   5.499  -2.544
  104   2HG   LYS  16          2HG       LYS  16  13.057   5.176  -1.838
  105   1HD   LYS  16          1HD       LYS  16  13.021   2.940  -2.580
  106   2HD   LYS  16          2HD       LYS  16  14.124   3.249  -3.907
  107   1HE   LYS  16          1HE       LYS  16  15.468   3.870  -1.407
  108   2HE   LYS  16          2HE       LYS  16  14.757   2.273  -1.284
  109   1HZ   LYS  16          1HZ       LYS  16  16.073   2.809  -3.773
  110   2HZ   LYS  16          2HZ       LYS  16  17.065   2.785  -2.476
  111   3HZ   LYS  16          3HZ       LYS  16  16.141   1.483  -2.822
  112    H    ASP  17           H        ASP  17  10.125   3.145  -3.046
  113    HA   ASP  17           HA       ASP  17  11.253   1.063  -4.736
  114   1HB   ASP  17          1HB       ASP  17  11.467   1.337  -1.860
  115   2HB   ASP  17          2HB       ASP  17  10.463  -0.058  -2.203
  116    H    ARG  18           H        ARG  18   8.667   2.836  -4.445
  117    HA   ARG  18           HA       ARG  18   6.677   1.005  -3.641
  118   1HB   ARG  18          1HB       ARG  18   6.272   3.505  -5.346
  119   2HB   ARG  18          2HB       ARG  18   5.104   2.750  -4.281
  120   1HG   ARG  18          1HG       ARG  18   7.727   4.007  -3.345
  121   2HG   ARG  18          2HG       ARG  18   6.173   4.816  -3.299
  122   1HD   ARG  18          1HD       ARG  18   5.379   2.694  -1.934
  123   2HD   ARG  18          2HD       ARG  18   7.091   2.410  -1.690
  124    HE   ARG  18           HE       ARG  18   7.063   4.118  -0.112
  125   1HH1  ARG  18          1HH1      ARG  18   4.502   4.730  -2.447
  126   2HH1  ARG  18          2HH1      ARG  18   3.931   6.152  -1.639
  127   1HH2  ARG  18          1HH2      ARG  18   6.309   5.994   0.954
  128   2HH2  ARG  18          2HH2      ARG  18   4.965   6.875   0.309
  129    H    VAL  19           H        VAL  19   6.088  -0.757  -4.869
  130    HA   VAL  19           HA       VAL  19   6.730  -0.844  -7.653
  131    HB   VAL  19           HB       VAL  19   5.183  -2.735  -5.869
  132   1HG1  VAL  19          1HG1      VAL  19   6.152  -2.935  -8.715
  133   2HG1  VAL  19          2HG1      VAL  19   6.008  -4.393  -7.703
  134   3HG1  VAL  19          3HG1      VAL  19   4.575  -3.385  -8.021
  135   1HG2  VAL  19          1HG2      VAL  19   8.098  -2.331  -6.407
  136   2HG2  VAL  19          2HG2      VAL  19   7.264  -2.814  -4.911
  137   3HG2  VAL  19          3HG2      VAL  19   7.502  -3.997  -6.219
  138    H    ASP  20           H        ASP  20   4.265   0.629  -5.876
  139    HA   ASP  20           HA       ASP  20   2.336   1.478  -6.380
  140   1HB   ASP  20          1HB       ASP  20   3.271   2.553  -8.289
  141   2HB   ASP  20          2HB       ASP  20   3.456   1.045  -9.163
  142    H    CYS  21           H        CYS  21   0.526   0.254  -5.826
  143    HA   CYS  21           HA       CYS  21   0.194  -2.353  -6.968
  144   1HB   CYS  21          1HB       CYS  21  -0.466  -1.173  -4.552
  145   2HB   CYS  21          2HB       CYS  21  -2.017  -1.323  -5.354
  146    H    GLY  22           H        GLY  22  -0.790   0.940  -7.581
  147   1HA   GLY  22          1HA       GLY  22  -2.170   0.249  -9.955
  148   2HA   GLY  22          2HA       GLY  22  -2.050   1.835  -9.219
  149    H    TYR  23           H        TYR  23  -3.732   2.641  -7.912
  150    HA   TYR  23           HA       TYR  23  -6.190   1.093  -8.073
  151   1HB   TYR  23          1HB       TYR  23  -4.614   1.988  -5.619
  152   2HB   TYR  23          2HB       TYR  23  -6.363   2.017  -5.514
  153    HD1  TYR  23           HD1      TYR  23  -3.435  -0.201  -6.064
  154    HD2  TYR  23           HD2      TYR  23  -7.621   0.010  -5.209
  155    HE1  TYR  23           HE1      TYR  23  -3.449  -2.677  -5.488
  156    HE2  TYR  23           HE2      TYR  23  -7.622  -2.467  -4.636
  157    HH   TYR  23           HH       TYR  23  -5.459  -4.108  -3.744
  158    HA   PRO  24           HA       PRO  24  -7.663   5.101  -8.828
  159   1HB   PRO  24          1HB       PRO  24 -10.350   4.605  -8.807
  160   2HB   PRO  24          2HB       PRO  24  -9.330   4.299 -10.199
  161   1HG   PRO  24          1HG       PRO  24 -10.488   2.363  -8.289
  162   2HG   PRO  24          2HG       PRO  24  -9.841   2.071  -9.891
  163   1HD   PRO  24          1HD       PRO  24  -8.555   1.503  -7.391
  164   2HD   PRO  24          2HD       PRO  24  -7.863   1.319  -8.990
  165    H    HIS  25           H        HIS  25  -9.942   3.650  -6.550
  166    HA   HIS  25           HA       HIS  25  -9.824   6.125  -5.058
  167   1HB   HIS  25          1HB       HIS  25 -11.718   5.188  -3.810
  168   2HB   HIS  25          2HB       HIS  25 -12.008   5.218  -5.538
  169    HD1  HIS  25           HD1      HIS  25 -13.871   3.349  -4.610
  170    HD2  HIS  25           HD2      HIS  25  -9.846   2.186  -4.826
  171    HE1  HIS  25           HE1      HIS  25 -13.862   0.798  -4.591
  172    HE2  HIS  25           HE2      HIS  25 -11.366   0.141  -4.781
  173    H    VAL  26           H        VAL  26  -7.621   5.953  -4.278
  174    HA   VAL  26           HA       VAL  26  -7.146   3.728  -2.449
  175    HB   VAL  26           HB       VAL  26  -4.823   4.595  -2.464
  176   1HG1  VAL  26          1HG1      VAL  26  -6.076   3.946  -5.151
  177   2HG1  VAL  26          2HG1      VAL  26  -4.326   3.937  -4.827
  178   3HG1  VAL  26          3HG1      VAL  26  -5.396   2.801  -3.970
  179   1HG2  VAL  26          1HG2      VAL  26  -5.817   6.968  -3.242
  180   2HG2  VAL  26          2HG2      VAL  26  -4.140   6.468  -3.566
  181   3HG2  VAL  26          3HG2      VAL  26  -5.377   6.310  -4.836
  182    H    THR  27           H        THR  27  -6.847   4.011  -0.232
  183    HA   THR  27           HA       THR  27  -6.820   6.705   0.833
  184    HB   THR  27           HB       THR  27  -8.913   6.541   1.975
  185    HG1  THR  27           HG1      THR  27  -8.503   3.740   1.245
  186   1HG2  THR  27          1HG2      THR  27  -9.317   5.016  -0.653
  187   2HG2  THR  27          2HG2      THR  27 -10.613   5.769   0.308
  188   3HG2  THR  27          3HG2      THR  27  -9.376   6.786  -0.470
  189    HA   PRO  28           HA       PRO  28  -4.648   4.818   4.021
  190   1HB   PRO  28          1HB       PRO  28  -5.433   6.109   6.298
  191   2HB   PRO  28          2HB       PRO  28  -4.307   6.798   5.145
  192   1HG   PRO  28          1HG       PRO  28  -7.150   7.474   5.590
  193   2HG   PRO  28          2HG       PRO  28  -5.915   8.409   4.770
  194   1HD   PRO  28          1HD       PRO  28  -8.012   6.885   3.542
  195   2HD   PRO  28          2HD       PRO  28  -6.709   7.724   2.724
  196    H    LYS  29           H        LYS  29  -6.973   3.372   3.210
  197    HA   LYS  29           HA       LYS  29  -6.967   1.454   5.216
  198   1HB   LYS  29          1HB       LYS  29  -8.317   3.434   6.288
  199   2HB   LYS  29          2HB       LYS  29  -9.619   2.869   5.259
  200   1HG   LYS  29          1HG       LYS  29  -8.082   0.891   6.972
  201   2HG   LYS  29          2HG       LYS  29  -9.348   1.867   7.691
  202   1HD   LYS  29          1HD       LYS  29 -10.293   0.755   5.168
  203   2HD   LYS  29          2HD       LYS  29  -9.649  -0.532   6.168
  204   1HE   LYS  29          1HE       LYS  29 -11.262   1.318   7.774
  205   2HE   LYS  29          2HE       LYS  29 -12.187   0.709   6.416
  206   1HZ   LYS  29          1HZ       LYS  29 -10.614  -1.122   8.058
  207   2HZ   LYS  29          2HZ       LYS  29 -12.102  -0.652   8.540
  208   3HZ   LYS  29          3HZ       LYS  29 -11.914  -1.447   7.126
  209    H    GLU  30           H        GLU  30  -9.071   3.082   2.754
  210    HA   GLU  30           HA       GLU  30 -10.236   0.703   1.901
  211   1HB   GLU  30          1HB       GLU  30 -10.860   3.250   1.496
  212   2HB   GLU  30          2HB       GLU  30  -9.870   3.074   0.061
  213   1HG   GLU  30          1HG       GLU  30 -11.642   2.128  -0.989
  214   2HG   GLU  30          2HG       GLU  30 -11.506   0.757   0.095
  215    H    CYS  31           H        CYS  31  -7.200   2.375   1.083
  216    HA   CYS  31           HA       CYS  31  -6.751   0.789  -1.249
  217   1HB   CYS  31          1HB       CYS  31  -5.725   2.815  -1.471
  218   2HB   CYS  31          2HB       CYS  31  -5.295   2.925   0.225
  219    H    ASN  32           H        ASN  32  -6.192   0.628   2.236
  220    HA   ASN  32           HA       ASN  32  -4.274  -1.502   1.884
  221   1HB   ASN  32          1HB       ASN  32  -5.352  -0.550   4.564
  222   2HB   ASN  32          2HB       ASN  32  -3.777  -1.233   4.209
  223   2HD2  ASN  32          2HD2      ASN  32  -2.318   0.241   4.629
  224   1HD2  ASN  32          1HD2      ASN  32  -2.314   1.890   4.101
  225    H    ASN  33           H        ASN  33  -7.567  -1.172   1.748
  226    HA   ASN  33           HA       ASN  33  -8.106  -3.522   3.366
  227   1HB   ASN  33          1HB       ASN  33  -9.560  -1.509   3.723
  228   2HB   ASN  33          2HB       ASN  33 -10.011  -1.527   2.030
  229   2HD2  ASN  33          2HD2      ASN  33 -11.166  -2.165   4.919
  230   1HD2  ASN  33          1HD2      ASN  33 -12.211  -3.517   4.632
  231    H    ARG  34           H        ARG  34  -8.267  -2.074   0.079
  232    HA   ARG  34           HA       ARG  34  -9.736  -4.053  -1.139
  233   1HB   ARG  34          1HB       ARG  34  -8.665  -1.676  -1.941
  234   2HB   ARG  34          2HB       ARG  34  -7.510  -2.757  -2.695
  235   1HG   ARG  34          1HG       ARG  34 -10.533  -3.027  -3.032
  236   2HG   ARG  34          2HG       ARG  34  -9.513  -2.142  -4.149
  237   1HD   ARG  34          1HD       ARG  34  -8.116  -4.478  -4.079
  238   2HD   ARG  34          2HD       ARG  34  -9.705  -5.107  -3.691
  239    HE   ARG  34           HE       ARG  34  -8.853  -3.975  -6.255
  240   1HH1  ARG  34          1HH1      ARG  34 -11.619  -4.699  -4.205
  241   2HH1  ARG  34          2HH1      ARG  34 -12.744  -4.746  -5.521
  242   1HH2  ARG  34          1HH2      ARG  34 -10.336  -4.036  -7.992
  243   2HH2  ARG  34          2HH2      ARG  34 -12.009  -4.367  -7.690
  244    H    GLY  35           H        GLY  35  -6.315  -3.862  -0.188
  245   1HA   GLY  35          1HA       GLY  35  -5.805  -6.454  -1.519
  246   2HA   GLY  35          2HA       GLY  35  -5.410  -6.177   0.166
  247    H    CYS  36           H        CYS  36  -3.943  -4.217   0.642
  248    HA   CYS  36           HA       CYS  36  -1.545  -4.506  -0.543
  249   1HB   CYS  36          1HB       CYS  36  -3.230  -3.187  -2.387
  250   2HB   CYS  36          2HB       CYS  36  -2.144  -1.964  -1.758
  251    H    CYS  37           H        CYS  37  -0.701  -1.674  -0.575
  252    HA   CYS  37           HA       CYS  37  -1.420  -0.939   2.170
  253   1HB   CYS  37          1HB       CYS  37   1.238  -1.292   0.902
  254   2HB   CYS  37          2HB       CYS  37   1.052   0.121   1.922
  255    H    PHE  38           H        PHE  38  -1.293   1.445   2.571
  256    HA   PHE  38           HA       PHE  38  -1.611   2.946   0.067
  257   1HB   PHE  38          1HB       PHE  38  -3.743   2.660   1.308
  258   2HB   PHE  38          2HB       PHE  38  -2.969   3.092   2.819
  259    HD1  PHE  38           HD1      PHE  38  -4.223   4.396  -0.381
  260    HD2  PHE  38           HD2      PHE  38  -2.614   5.390   3.418
  261    HE1  PHE  38           HE1      PHE  38  -4.881   6.793  -0.730
  262    HE2  PHE  38           HE2      PHE  38  -3.272   7.787   3.069
  263    HZ   PHE  38           HZ       PHE  38  -4.398   8.460   1.000
  264    H    ASP  39           H        ASP  39  -1.429   5.469   0.629
  265    HA   ASP  39           HA       ASP  39   0.157   6.229   2.752
  266   1HB   ASP  39          1HB       ASP  39   2.009   5.032   1.781
  267   2HB   ASP  39          2HB       ASP  39   1.621   5.586   0.165
  268    H    SER  40           H        SER  40   0.350   8.569   2.722
  269    HA   SER  40           HA       SER  40  -0.498   9.825   0.240
  270   1HB   SER  40          1HB       SER  40  -1.967  11.362   1.491
  271   2HB   SER  40          2HB       SER  40  -2.470   9.699   1.723
  272    HG   SER  40           HG       SER  40  -2.199  11.284   3.668
  273    H    ARG  41           H        ARG  41   2.050   9.362   2.057
  274    HA   ARG  41           HA       ARG  41   2.768  11.744   3.182
  275   1HB   ARG  41          1HB       ARG  41   3.936   9.287   2.943
  276   2HB   ARG  41          2HB       ARG  41   4.906  10.163   1.776
  277   1HG   ARG  41          1HG       ARG  41   5.826  11.591   3.389
  278   2HG   ARG  41          2HG       ARG  41   4.437  11.470   4.451
  279   1HD   ARG  41          1HD       ARG  41   5.072   9.172   5.100
  280   2HD   ARG  41          2HD       ARG  41   6.386   9.170   3.940
  281    HE   ARG  41           HE       ARG  41   7.678  10.443   5.425
  282   1HH1  ARG  41          1HH1      ARG  41   4.303  10.578   6.413
  283   2HH1  ARG  41          2HH1      ARG  41   4.640  11.389   7.906
  284   1HH2  ARG  41          1HH2      ARG  41   8.123  11.513   7.394
  285   2HH2  ARG  41          2HH2      ARG  41   6.827  11.924   8.468
  286    H    ILE  42           H        ILE  42   3.406  10.473  -0.163
  287    HA   ILE  42           HA       ILE  42   3.537  13.220  -1.098
  288    HB   ILE  42           HB       ILE  42   5.611  12.113  -2.489
  289   1HG1  ILE  42          1HG1      ILE  42   7.161  11.176  -0.801
  290   2HG1  ILE  42          2HG1      ILE  42   5.872  11.178   0.385
  291   1HG2  ILE  42          1HG2      ILE  42   5.329  14.039  -0.238
  292   2HG2  ILE  42          2HG2      ILE  42   6.971  13.489  -0.647
  293   3HG2  ILE  42          3HG2      ILE  42   5.961  14.273  -1.886
  294   1HD1  ILE  42          1HD1      ILE  42   5.099   9.876  -2.159
  295   2HD1  ILE  42          2HD1      ILE  42   6.457   9.078  -1.330
  296   3HD1  ILE  42          3HD1      ILE  42   4.906   9.303  -0.485
  297    HA   PRO  43           HA       PRO  43   1.233  11.278  -4.209
  298   1HB   PRO  43          1HB       PRO  43   0.958  13.393  -5.917
  299   2HB   PRO  43          2HB       PRO  43  -0.061  13.158  -4.511
  300   1HG   PRO  43          1HG       PRO  43   2.151  15.081  -4.896
  301   2HG   PRO  43          2HG       PRO  43   0.869  15.107  -3.702
  302   1HD   PRO  43          1HD       PRO  43   3.598  14.335  -3.273
  303   2HD   PRO  43          2HD       PRO  43   2.289  14.252  -2.110
  304    H    GLY  44           H        GLY  44   4.135  13.033  -5.033
  305   1HA   GLY  44          1HA       GLY  44   5.848  12.344  -6.351
  306   2HA   GLY  44          2HA       GLY  44   4.609  12.392  -7.588
  307    H    VAL  45           H        VAL  45   4.714  10.122  -4.792
  308    HA   VAL  45           HA       VAL  45   5.457   7.975  -6.629
  309    HB   VAL  45           HB       VAL  45   6.296   6.854  -4.831
  310   1HG1  VAL  45          1HG1      VAL  45   7.078   9.443  -5.050
  311   2HG1  VAL  45          2HG1      VAL  45   6.581   9.404  -3.342
  312   3HG1  VAL  45          3HG1      VAL  45   7.820   8.272  -3.934
  313   1HG2  VAL  45          1HG2      VAL  45   4.313   8.346  -3.087
  314   2HG2  VAL  45          2HG2      VAL  45   4.305   6.619  -3.517
  315   3HG2  VAL  45          3HG2      VAL  45   5.576   7.264  -2.452
  316    HA   PRO  46           HA       PRO  46   1.527   6.180  -6.451
  317   1HB   PRO  46          1HB       PRO  46   1.967   3.499  -6.162
  318   2HB   PRO  46          2HB       PRO  46   2.156   4.342  -7.686
  319   1HG   PRO  46          1HG       PRO  46   4.246   3.349  -5.847
  320   2HG   PRO  46          2HG       PRO  46   4.392   3.799  -7.535
  321   1HD   PRO  46          1HD       PRO  46   5.230   5.344  -5.268
  322   2HD   PRO  46          2HD       PRO  46   5.269   5.841  -6.948
  323    H    TRP  47           H        TRP  47   0.657   7.262  -4.658
  324    HA   TRP  47           HA       TRP  47   0.978   6.883  -2.098
  325   1HB   TRP  47          1HB       TRP  47  -1.510   7.166  -3.715
  326   2HB   TRP  47          2HB       TRP  47  -1.680   6.814  -2.007
  327    HD1  TRP  47           HD1      TRP  47   1.245   9.065  -3.039
  328    HE1  TRP  47           HE1      TRP  47   0.886  11.553  -2.235
  329    HE3  TRP  47           HE3      TRP  47  -3.571   8.438  -1.531
  330    HZ2  TRP  47           HZ2      TRP  47  -1.322  12.948  -1.085
  331    HZ3  TRP  47           HZ3      TRP  47  -4.756  10.414  -0.579
  332    HH2  TRP  47           HH2      TRP  47  -3.709  12.610  -0.345
  333    H    CYS  48           H        CYS  48  -1.103   4.642  -4.079
  334    HA   CYS  48           HA       CYS  48  -0.994   2.717  -1.932
  335   1HB   CYS  48          1HB       CYS  48  -3.033   3.333  -3.438
  336   2HB   CYS  48          2HB       CYS  48  -2.296   2.242  -4.595
  337    H    PHE  49           H        PHE  49   0.682   1.264  -1.831
  338    HA   PHE  49           HA       PHE  49   1.737   0.252  -4.352
  339   1HB   PHE  49          1HB       PHE  49   4.060   0.527  -3.211
  340   2HB   PHE  49          2HB       PHE  49   3.306   2.015  -3.747
  341    HD1  PHE  49           HD1      PHE  49   3.645  -0.142  -0.729
  342    HD2  PHE  49           HD2      PHE  49   3.046   3.774  -2.251
  343    HE1  PHE  49           HE1      PHE  49   3.833   0.790   1.595
  344    HE2  PHE  49           HE2      PHE  49   3.234   4.706   0.072
  345    HZ   PHE  49           HZ       PHE  49   3.626   3.203   1.967
  346    H    LYS  50           H        LYS  50   3.234  -1.697  -3.925
  347    HA   LYS  50           HA       LYS  50   1.833  -3.464  -2.196
  348   1HB   LYS  50          1HB       LYS  50   4.405  -3.887  -3.746
  349   2HB   LYS  50          2HB       LYS  50   3.409  -5.138  -3.030
  350   1HG   LYS  50          1HG       LYS  50   1.473  -4.002  -4.481
  351   2HG   LYS  50          2HG       LYS  50   2.817  -3.379  -5.418
  352   1HD   LYS  50          1HD       LYS  50   3.470  -6.095  -5.032
  353   2HD   LYS  50          2HD       LYS  50   1.738  -6.116  -5.299
  354   1HE   LYS  50          1HE       LYS  50   2.683  -4.295  -7.230
  355   2HE   LYS  50          2HE       LYS  50   3.913  -5.544  -7.205
  356   1HZ   LYS  50          1HZ       LYS  50   1.057  -6.184  -7.363
  357   2HZ   LYS  50          2HZ       LYS  50   1.968  -5.927  -8.694
  358   3HZ   LYS  50          3HZ       LYS  50   2.323  -7.163  -7.687
  359    HA   PRO  51           HA       PRO  51   4.297  -3.224   1.338
  360   1HB   PRO  51          1HB       PRO  51   4.402  -5.797   2.253
  361   2HB   PRO  51          2HB       PRO  51   3.010  -4.756   2.479
  362   1HG   PRO  51          1HG       PRO  51   3.353  -7.010   0.598
  363   2HG   PRO  51          2HG       PRO  51   1.871  -6.245   1.136
  364   1HD   PRO  51          1HD       PRO  51   3.168  -5.881  -1.396
  365   2HD   PRO  51          2HD       PRO  51   1.751  -5.030  -0.812
  366    H    LEU  52           H        LEU  52   6.355  -2.660   1.604
  367    HA   LEU  52           HA       LEU  52   8.341  -3.199  -0.031
  368   1HB   LEU  52          1HB       LEU  52   8.571  -1.735   1.849
  369   2HB   LEU  52          2HB       LEU  52   8.458  -3.069   2.980
  370    HG   LEU  52           HG       LEU  52  10.715  -2.685   0.994
  371   1HD1  LEU  52          1HD1      LEU  52  10.564  -2.019   3.945
  372   2HD1  LEU  52          2HD1      LEU  52  12.064  -2.058   2.987
  373   3HD1  LEU  52          3HD1      LEU  52  10.784  -0.887   2.589
  374   1HD2  LEU  52          1HD2      LEU  52   9.957  -4.873   2.797
  375   2HD2  LEU  52          2HD2      LEU  52  11.056  -4.858   1.397
  376   3HD2  LEU  52          3HD2      LEU  52  11.639  -4.325   2.992
  377    H    GLN  53           H        GLN  53   9.721  -4.836  -0.651
  378    HA   GLN  53           HA       GLN  53   8.868  -7.425  -0.254
  379   1HB   GLN  53          1HB       GLN  53  11.209  -7.988  -1.215
  380   2HB   GLN  53          2HB       GLN  53  10.135  -7.022  -2.206
  381   1HG   GLN  53          1HG       GLN  53  11.844  -5.440  -0.346
  382   2HG   GLN  53          2HG       GLN  53  12.735  -6.327  -1.567
  383   2HE2  GLN  53          2HE2      GLN  53  11.173  -3.510  -0.864
  384   1HE2  GLN  53          1HE2      GLN  53  10.866  -2.892  -2.453
  385    H    GLU  54           H        GLU  54   8.621  -7.691   2.072
  386    HA   GLU  54           HA       GLU  54  10.504  -7.231   3.944
  387   1HB   GLU  54          1HB       GLU  54   9.233  -8.604   5.365
  388   2HB   GLU  54          2HB       GLU  54   8.069  -8.153   4.135
  389   1HG   GLU  54          1HG       GLU  54   8.685 -10.317   2.899
  390   2HG   GLU  54          2HG       GLU  54   9.624 -10.773   4.307
  391    H    ALA  55           H        ALA  55  12.576  -7.918   4.245
  392    HA   ALA  55           HA       ALA  55  13.309 -10.615   4.092
  393   1HB   ALA  55          1HB       ALA  55  13.608 -10.845   1.867
  394   2HB   ALA  55          2HB       ALA  55  15.002  -9.753   2.049
  395   3HB   ALA  55          3HB       ALA  55  13.413  -9.099   1.583
  396    H    GLU  56           H        GLU  56  13.688  -9.255   6.218
  397    HA   GLU  56           HA       GLU  56  16.369  -8.123   5.993
  398   1HB   GLU  56          1HB       GLU  56  15.781  -6.794   8.057
  399   2HB   GLU  56          2HB       GLU  56  14.840  -6.367   6.642
  400   1HG   GLU  56          1HG       GLU  56  12.994  -7.889   7.449
  401   2HG   GLU  56          2HG       GLU  56  13.930  -8.221   8.893
  402    H    CYS  57           H        CYS  57  14.071 -10.081   7.966
  403    HA   CYS  57           HA       CYS  57  16.423 -11.321   9.195
  404   1HB   CYS  57          1HB       CYS  57  13.766 -10.741  10.521
  405   2HB   CYS  57          2HB       CYS  57  15.056 -11.696  11.225
  406    H    THR  58           H        THR  58  15.856 -13.641   9.967
  407    HA   THR  58           HA       THR  58  14.984 -15.171   7.862
  408    HB   THR  58           HB       THR  58  16.312 -15.775  10.018
  409    HG1  THR  58           HG1      THR  58  14.015 -17.375   9.127
  410   1HG2  THR  58          1HG2      THR  58  14.096 -15.071  11.417
  411   2HG2  THR  58          2HG2      THR  58  13.661 -16.760  11.061
  412   3HG2  THR  58          3HG2      THR  58  15.157 -16.395  11.954
  413    H    PHE  59           H        PHE  59  13.092 -16.331   7.341
  414    HA   PHE  59           HA       PHE  59  10.790 -14.981   7.291
  415   1HB   PHE  59          1HB       PHE  59  11.760 -17.738   7.031
  416   2HB   PHE  59          2HB       PHE  59  10.166 -17.772   7.758
  417    HD1  PHE  59           HD1      PHE  59   8.304 -16.446   6.539
  418    HD2  PHE  59           HD2      PHE  59  11.980 -17.539   4.721
  419    HE1  PHE  59           HE1      PHE  59   7.265 -16.171   4.271
  420    HE2  PHE  59           HE2      PHE  59  10.940 -17.264   2.453
  421    HZ   PHE  59           HZ       PHE  59   8.595 -16.583   2.255

  No H/Q in entry =         421
  Start of MODEL   73
    1    H    GLU   1           H        GLU   1   6.855 -12.132  23.538
    2    HA   GLU   1           HA       GLU   1   6.187 -10.401  22.333
    3   1HB   GLU   1          1HB       GLU   1   9.037 -11.010  21.625
    4   2HB   GLU   1          2HB       GLU   1   8.250  -9.752  20.692
    5   1HG   GLU   1          1HG       GLU   1   9.020  -8.460  22.458
    6   2HG   GLU   1          2HG       GLU   1   7.457  -8.907  23.111
    7    H    GLU   2           H        GLU   2   4.404 -10.877  21.040
    8    HA   GLU   2           HA       GLU   2   4.441 -12.529  18.863
    9   1HB   GLU   2          1HB       GLU   2   2.597 -10.719  20.140
   10   2HB   GLU   2          2HB       GLU   2   2.506 -10.447  18.411
   11   1HG   GLU   2          1HG       GLU   2   2.580 -13.216  18.521
   12   2HG   GLU   2          2HG       GLU   2   1.710 -12.838  19.995
   13    H    TYR   3           H        TYR   3   3.874 -11.739  16.503
   14    HA   TYR   3           HA       TYR   3   5.980  -9.846  15.781
   15   1HB   TYR   3          1HB       TYR   3   5.942 -11.084  13.718
   16   2HB   TYR   3          2HB       TYR   3   5.533 -12.319  14.892
   17    HD1  TYR   3           HD1      TYR   3   3.130 -13.019  15.175
   18    HD2  TYR   3           HD2      TYR   3   4.391 -10.415  12.023
   19    HE1  TYR   3           HE1      TYR   3   0.979 -13.499  13.908
   20    HE2  TYR   3           HE2      TYR   3   2.235 -10.904  10.766
   21    HH   TYR   3           HH       TYR   3   0.194 -11.747  10.960
   22    H    VAL   4           H        VAL   4   5.563  -7.860  14.905
   23    HA   VAL   4           HA       VAL   4   2.845  -7.373  13.940
   24    HB   VAL   4           HB       VAL   4   4.353  -5.867  16.064
   25   1HG1  VAL   4          1HG1      VAL   4   2.157  -4.824  14.253
   26   2HG1  VAL   4          2HG1      VAL   4   2.554  -4.097  15.829
   27   3HG1  VAL   4          3HG1      VAL   4   3.774  -4.133  14.532
   28   1HG2  VAL   4          1HG2      VAL   4   1.508  -6.912  15.863
   29   2HG2  VAL   4          2HG2      VAL   4   2.828  -7.596  16.842
   30   3HG2  VAL   4          3HG2      VAL   4   2.170  -5.988  17.232
   31    H    GLY   5           H        GLY   5   3.452  -7.317  11.777
   32   1HA   GLY   5          1HA       GLY   5   5.559  -6.659  10.428
   33   2HA   GLY   5          2HA       GLY   5   5.192  -5.061  11.048
   34    H    LEU   6           H        LEU   6   2.172  -6.198  10.987
   35    HA   LEU   6           HA       LEU   6   1.791  -5.894   8.104
   36   1HB   LEU   6          1HB       LEU   6  -0.301  -6.956   8.383
   37   2HB   LEU   6          2HB       LEU   6   0.905  -7.909   9.225
   38    HG   LEU   6           HG       LEU   6  -0.072  -6.222  11.209
   39   1HD1  LEU   6          1HD1      LEU   6  -1.946  -6.021   9.207
   40   2HD1  LEU   6          2HD1      LEU   6  -2.604  -7.323  10.227
   41   3HD1  LEU   6          3HD1      LEU   6  -2.235  -5.734  10.939
   42   1HD2  LEU   6          1HD2      LEU   6  -0.229  -9.079  10.490
   43   2HD2  LEU   6          2HD2      LEU   6   0.240  -8.294  12.017
   44   3HD2  LEU   6          3HD2      LEU   6  -1.481  -8.511  11.621
   45    H    SER   7           H        SER   7   2.603  -3.548   9.218
   46    HA   SER   7           HA       SER   7   0.655  -1.816   8.514
   47   1HB   SER   7          1HB       SER   7   0.173  -0.889  10.959
   48   2HB   SER   7          2HB       SER   7  -0.824  -2.154  10.267
   49    HG   SER   7           HG       SER   7   0.680  -2.244  12.525
   50    H    ALA   8           H        ALA   8   2.057  -0.241   7.829
   51    HA   ALA   8           HA       ALA   8   3.484   1.479   8.066
   52   1HB   ALA   8          1HB       ALA   8   4.252   2.185  10.130
   53   2HB   ALA   8          2HB       ALA   8   4.551   0.529  10.708
   54   3HB   ALA   8          3HB       ALA   8   2.889   1.163  10.645
   55    H    ASN   9           H        ASN   9   4.794  -1.529   9.640
   56    HA   ASN   9           HA       ASN   9   7.334  -1.220   8.627
   57   1HB   ASN   9          1HB       ASN   9   6.522  -2.840  10.456
   58   2HB   ASN   9          2HB       ASN   9   5.919  -3.878   9.179
   59   2HD2  ASN   9          2HD2      ASN   9   7.923  -4.465  11.138
   60   1HD2  ASN   9          1HD2      ASN   9   9.401  -4.836  10.315
   61    H    GLN  10           H        GLN  10   4.521  -3.245   7.498
   62    HA   GLN  10           HA       GLN  10   5.837  -4.198   5.234
   63   1HB   GLN  10          1HB       GLN  10   3.437  -4.753   4.488
   64   2HB   GLN  10          2HB       GLN  10   3.970  -5.451   6.004
   65   1HG   GLN  10          1HG       GLN  10   2.717  -3.884   7.310
   66   2HG   GLN  10          2HG       GLN  10   2.524  -2.778   5.963
   67   2HE2  GLN  10          2HE2      GLN  10   1.726  -4.327   3.917
   68   1HE2  GLN  10          1HE2      GLN  10   0.195  -5.073   4.230
   69    H    CYS  11           H        CYS  11   4.147  -1.191   5.973
   70    HA   CYS  11           HA       CYS  11   4.344  -0.466   3.140
   71   1HB   CYS  11          1HB       CYS  11   2.612   1.085   5.007
   72   2HB   CYS  11          2HB       CYS  11   2.455   0.823   3.281
   73    H    ALA  12           H        ALA  12   6.677  -0.426   4.654
   74    HA   ALA  12           HA       ALA  12   6.961   2.423   5.328
   75   1HB   ALA  12          1HB       ALA  12   9.081   1.085   6.523
   76   2HB   ALA  12          2HB       ALA  12   7.592   1.613   7.341
   77   3HB   ALA  12          3HB       ALA  12   7.725  -0.051   6.723
   78    H    VAL  13           H        VAL  13   7.082   2.126   2.724
   79    HA   VAL  13           HA       VAL  13   9.808   1.405   1.986
   80    HB   VAL  13           HB       VAL  13   7.948   2.369  -0.075
   81   1HG1  VAL  13          1HG1      VAL  13  10.121   0.453   0.265
   82   2HG1  VAL  13          2HG1      VAL  13   8.754  -0.241  -0.639
   83   3HG1  VAL  13          3HG1      VAL  13   9.528   1.258  -1.207
   84   1HG2  VAL  13          1HG2      VAL  13   7.189   0.119   1.768
   85   2HG2  VAL  13          2HG2      VAL  13   6.170   1.371   1.018
   86   3HG2  VAL  13          3HG2      VAL  13   6.782   0.017   0.038
   87    HA   PRO  14           HA       PRO  14  11.018   5.544   1.716
   88   1HB   PRO  14          1HB       PRO  14  13.038   5.413  -0.120
   89   2HB   PRO  14          2HB       PRO  14  13.241   4.965   1.562
   90   1HG   PRO  14          1HG       PRO  14  13.010   3.213  -0.809
   91   2HG   PRO  14          2HG       PRO  14  13.628   2.827   0.785
   92   1HD   PRO  14          1HD       PRO  14  11.065   2.107  -0.283
   93   2HD   PRO  14          2HD       PRO  14  11.638   1.823   1.348
   94    H    ALA  15           H        ALA  15   9.205   4.138  -0.547
   95    HA   ALA  15           HA       ALA  15   7.783   5.143  -1.967
   96   1HB   ALA  15          1HB       ALA  15   8.790   7.359  -0.659
   97   2HB   ALA  15          2HB       ALA  15   7.529   7.393  -1.914
   98   3HB   ALA  15          3HB       ALA  15   9.228   7.686  -2.353
   99    H    LYS  16           H        LYS  16  11.297   5.199  -2.248
  100    HA   LYS  16           HA       LYS  16  11.160   5.332  -5.141
  101   1HB   LYS  16          1HB       LYS  16  13.592   5.381  -5.034
  102   2HB   LYS  16          2HB       LYS  16  12.900   6.594  -3.976
  103   1HG   LYS  16          1HG       LYS  16  14.388   5.685  -2.466
  104   2HG   LYS  16          2HG       LYS  16  13.064   4.573  -2.183
  105   1HD   LYS  16          1HD       LYS  16  14.986   3.185  -2.514
  106   2HD   LYS  16          2HD       LYS  16  14.076   3.070  -4.007
  107   1HE   LYS  16          1HE       LYS  16  15.544   4.822  -5.036
  108   2HE   LYS  16          2HE       LYS  16  16.455   4.934  -3.543
  109   1HZ   LYS  16          1HZ       LYS  16  16.384   2.276  -4.172
  110   2HZ   LYS  16          2HZ       LYS  16  16.676   3.030  -5.591
  111   3HZ   LYS  16          3HZ       LYS  16  17.663   3.281  -4.314
  112    H    ASP  17           H        ASP  17  10.355   3.037  -2.970
  113    HA   ASP  17           HA       ASP  17  11.455   0.950  -4.681
  114   1HB   ASP  17          1HB       ASP  17  11.834   1.320  -1.868
  115   2HB   ASP  17          2HB       ASP  17  10.731  -0.032  -2.034
  116    H    ARG  18           H        ARG  18   8.839   2.609  -4.517
  117    HA   ARG  18           HA       ARG  18   6.903   0.812  -3.529
  118   1HB   ARG  18          1HB       ARG  18   6.396   3.103  -5.477
  119   2HB   ARG  18          2HB       ARG  18   5.285   2.447  -4.291
  120   1HG   ARG  18          1HG       ARG  18   7.915   3.592  -3.332
  121   2HG   ARG  18          2HG       ARG  18   6.642   4.699  -3.806
  122   1HD   ARG  18          1HD       ARG  18   5.298   2.810  -2.209
  123   2HD   ARG  18          2HD       ARG  18   6.840   3.003  -1.399
  124    HE   ARG  18           HE       ARG  18   5.418   5.487  -2.198
  125   1HH1  ARG  18          1HH1      ARG  18   6.338   3.253   0.360
  126   2HH1  ARG  18          2HH1      ARG  18   5.987   4.369   1.637
  127   1HH2  ARG  18          1HH2      ARG  18   4.955   6.961  -0.513
  128   2HH2  ARG  18          2HH2      ARG  18   5.195   6.493   1.137
  129    H    VAL  19           H        VAL  19   5.624  -0.690  -4.677
  130    HA   VAL  19           HA       VAL  19   6.546  -1.245  -7.384
  131    HB   VAL  19           HB       VAL  19   4.706  -2.875  -5.631
  132   1HG1  VAL  19          1HG1      VAL  19   6.091  -3.277  -8.236
  133   2HG1  VAL  19          2HG1      VAL  19   6.058  -4.664  -7.120
  134   3HG1  VAL  19          3HG1      VAL  19   4.534  -3.911  -7.650
  135   1HG2  VAL  19          1HG2      VAL  19   6.928  -2.326  -4.529
  136   2HG2  VAL  19          2HG2      VAL  19   6.573  -4.056  -4.747
  137   3HG2  VAL  19          3HG2      VAL  19   7.707  -3.235  -5.845
  138    H    ASP  20           H        ASP  20   4.347   0.780  -6.016
  139    HA   ASP  20           HA       ASP  20   2.390   1.587  -6.547
  140   1HB   ASP  20          1HB       ASP  20   3.510   2.544  -8.420
  141   2HB   ASP  20          2HB       ASP  20   3.654   1.002  -9.240
  142    H    CYS  21           H        CYS  21   0.821   0.091  -5.741
  143    HA   CYS  21           HA       CYS  21   0.297  -2.359  -7.021
  144   1HB   CYS  21          1HB       CYS  21  -0.307  -1.220  -4.583
  145   2HB   CYS  21          2HB       CYS  21  -1.869  -1.266  -5.375
  146    H    GLY  22           H        GLY  22  -0.682   0.982  -7.498
  147   1HA   GLY  22          1HA       GLY  22  -1.995   0.427  -9.933
  148   2HA   GLY  22          2HA       GLY  22  -1.956   1.955  -9.076
  149    H    TYR  23           H        TYR  23  -3.690   2.580  -7.725
  150    HA   TYR  23           HA       TYR  23  -6.054   0.878  -8.004
  151   1HB   TYR  23          1HB       TYR  23  -4.589   1.930  -5.554
  152   2HB   TYR  23          2HB       TYR  23  -6.340   1.921  -5.478
  153    HD1  TYR  23           HD1      TYR  23  -7.534  -0.337  -5.979
  154    HD2  TYR  23           HD2      TYR  23  -3.374  -0.011  -5.036
  155    HE1  TYR  23           HE1      TYR  23  -7.486  -2.789  -5.309
  156    HE2  TYR  23           HE2      TYR  23  -3.340  -2.465  -4.369
  157    HH   TYR  23           HH       TYR  23  -4.809  -4.153  -3.654
  158    HA   PRO  24           HA       PRO  24  -7.927   4.689  -8.841
  159   1HB   PRO  24          1HB       PRO  24 -10.560   4.075  -8.442
  160   2HB   PRO  24          2HB       PRO  24  -9.693   3.667  -9.908
  161   1HG   PRO  24          1HG       PRO  24 -10.507   1.899  -7.683
  162   2HG   PRO  24          2HG       PRO  24 -10.034   1.464  -9.313
  163   1HD   PRO  24          1HD       PRO  24  -8.435   1.231  -6.943
  164   2HD   PRO  24          2HD       PRO  24  -7.925   0.907  -8.588
  165    H    HIS  25           H        HIS  25 -10.138   3.593  -6.347
  166    HA   HIS  25           HA       HIS  25  -9.720   6.135  -5.042
  167   1HB   HIS  25          1HB       HIS  25 -11.695   5.664  -3.826
  168   2HB   HIS  25          2HB       HIS  25 -11.994   5.179  -5.483
  169    HD1  HIS  25           HD1      HIS  25 -13.579   4.029  -3.004
  170    HD2  HIS  25           HD2      HIS  25 -10.340   2.154  -4.901
  171    HE1  HIS  25           HE1      HIS  25 -13.792   1.539  -2.488
  172    HE2  HIS  25           HE2      HIS  25 -11.806   0.433  -3.725
  173    H    VAL  26           H        VAL  26  -7.565   5.901  -4.237
  174    HA   VAL  26           HA       VAL  26  -7.151   3.714  -2.355
  175    HB   VAL  26           HB       VAL  26  -4.807   4.544  -2.383
  176   1HG1  VAL  26          1HG1      VAL  26  -6.026   3.873  -5.084
  177   2HG1  VAL  26          2HG1      VAL  26  -4.300   3.747  -4.669
  178   3HG1  VAL  26          3HG1      VAL  26  -5.490   2.714  -3.844
  179   1HG2  VAL  26          1HG2      VAL  26  -5.575   6.919  -3.086
  180   2HG2  VAL  26          2HG2      VAL  26  -4.064   6.272  -3.771
  181   3HG2  VAL  26          3HG2      VAL  26  -5.556   6.269  -4.743
  182    H    THR  27           H        THR  27  -6.829   4.026  -0.143
  183    HA   THR  27           HA       THR  27  -6.691   6.716   0.895
  184    HB   THR  27           HB       THR  27  -8.824   6.766   1.912
  185    HG1  THR  27           HG1      THR  27  -9.978   4.549   1.961
  186   1HG2  THR  27          1HG2      THR  27  -9.242   5.014  -0.568
  187   2HG2  THR  27          2HG2      THR  27 -10.538   5.869   0.303
  188   3HG2  THR  27          3HG2      THR  27  -9.268   6.793  -0.535
  189    HA   PRO  28           HA       PRO  28  -4.722   4.720   4.147
  190   1HB   PRO  28          1HB       PRO  28  -5.460   6.092   6.393
  191   2HB   PRO  28          2HB       PRO  28  -4.265   6.685   5.257
  192   1HG   PRO  28          1HG       PRO  28  -7.061   7.566   5.633
  193   2HG   PRO  28          2HG       PRO  28  -5.747   8.400   4.830
  194   1HD   PRO  28          1HD       PRO  28  -7.920   7.013   3.574
  195   2HD   PRO  28          2HD       PRO  28  -6.545   7.747   2.775
  196    H    LYS  29           H        LYS  29  -7.003   3.333   3.295
  197    HA   LYS  29           HA       LYS  29  -7.218   1.509   5.366
  198   1HB   LYS  29          1HB       LYS  29  -8.549   3.610   6.256
  199   2HB   LYS  29          2HB       LYS  29  -9.815   3.005   5.207
  200   1HG   LYS  29          1HG       LYS  29  -8.429   1.026   7.013
  201   2HG   LYS  29          2HG       LYS  29  -9.548   2.155   7.751
  202   1HD   LYS  29          1HD       LYS  29 -10.938   1.271   5.477
  203   2HD   LYS  29          2HD       LYS  29 -10.104  -0.171   6.020
  204   1HE   LYS  29          1HE       LYS  29 -11.087  -0.001   8.246
  205   2HE   LYS  29          2HE       LYS  29 -11.725   1.596   7.909
  206   1HZ   LYS  29          1HZ       LYS  29 -12.656  -0.095   5.936
  207   2HZ   LYS  29          2HZ       LYS  29 -12.885  -0.870   7.355
  208   3HZ   LYS  29          3HZ       LYS  29 -13.516   0.619   7.127
  209    H    GLU  30           H        GLU  30  -9.035   3.137   2.694
  210    HA   GLU  30           HA       GLU  30 -10.255   0.755   1.868
  211   1HB   GLU  30          1HB       GLU  30 -11.168   2.993   1.345
  212   2HB   GLU  30          2HB       GLU  30  -9.762   3.365   0.368
  213   1HG   GLU  30          1HG       GLU  30 -10.766   2.411  -1.424
  214   2HG   GLU  30          2HG       GLU  30 -10.750   0.865  -0.600
  215    H    CYS  31           H        CYS  31  -7.296   2.552   0.845
  216    HA   CYS  31           HA       CYS  31  -6.721   0.913  -1.341
  217   1HB   CYS  31          1HB       CYS  31  -5.577   2.879  -1.440
  218   2HB   CYS  31          2HB       CYS  31  -5.257   2.926   0.282
  219    H    ASN  32           H        ASN  32  -5.945   0.801   2.172
  220    HA   ASN  32           HA       ASN  32  -4.237  -1.446   1.837
  221   1HB   ASN  32          1HB       ASN  32  -3.561  -0.774   3.912
  222   2HB   ASN  32          2HB       ASN  32  -4.790   0.474   3.883
  223   2HD2  ASN  32          2HD2      ASN  32  -7.061  -0.321   4.353
  224   1HD2  ASN  32          1HD2      ASN  32  -7.261  -1.413   5.683
  225    H    ASN  33           H        ASN  33  -7.566  -0.976   1.676
  226    HA   ASN  33           HA       ASN  33  -8.206  -3.428   3.076
  227   1HB   ASN  33          1HB       ASN  33  -9.698  -1.547   3.560
  228   2HB   ASN  33          2HB       ASN  33  -9.917  -1.205   1.855
  229   2HD2  ASN  33          2HD2      ASN  33 -11.113  -2.628   0.548
  230   1HD2  ASN  33          1HD2      ASN  33 -12.293  -3.712   1.205
  231    H    ARG  34           H        ARG  34  -8.181  -1.803  -0.132
  232    HA   ARG  34           HA       ARG  34  -9.633  -3.664  -1.530
  233   1HB   ARG  34          1HB       ARG  34  -8.405  -1.294  -2.140
  234   2HB   ARG  34          2HB       ARG  34  -7.284  -2.398  -2.911
  235   1HG   ARG  34          1HG       ARG  34  -8.963  -1.802  -4.558
  236   2HG   ARG  34          2HG       ARG  34  -9.236  -3.475  -4.112
  237   1HD   ARG  34          1HD       ARG  34 -10.997  -2.701  -2.459
  238   2HD   ARG  34          2HD       ARG  34 -10.767  -1.060  -3.028
  239    HE   ARG  34           HE       ARG  34 -11.911  -1.591  -5.017
  240   1HH1  ARG  34          1HH1      ARG  34 -11.161  -4.536  -3.244
  241   2HH1  ARG  34          2HH1      ARG  34 -12.153  -5.544  -4.245
  242   1HH2  ARG  34          1HH2      ARG  34 -13.220  -2.919  -6.338
  243   2HH2  ARG  34          2HH2      ARG  34 -13.332  -4.618  -6.016
  244    H    GLY  35           H        GLY  35  -6.329  -3.723  -0.280
  245   1HA   GLY  35          1HA       GLY  35  -5.845  -6.268  -1.713
  246   2HA   GLY  35          2HA       GLY  35  -5.479  -6.027  -0.016
  247    H    CYS  36           H        CYS  36  -3.976  -4.077   0.497
  248    HA   CYS  36           HA       CYS  36  -1.552  -4.465  -0.634
  249   1HB   CYS  36          1HB       CYS  36  -3.131  -3.098  -2.510
  250   2HB   CYS  36          2HB       CYS  36  -2.084  -1.876  -1.816
  251    H    CYS  37           H        CYS  37  -0.630  -1.643  -0.612
  252    HA   CYS  37           HA       CYS  37  -1.331  -0.969   2.153
  253   1HB   CYS  37          1HB       CYS  37   1.324  -1.193   0.812
  254   2HB   CYS  37          2HB       CYS  37   1.110   0.081   1.996
  255    H    PHE  38           H        PHE  38  -1.337   1.370   2.616
  256    HA   PHE  38           HA       PHE  38  -1.656   2.950   0.161
  257   1HB   PHE  38          1HB       PHE  38  -3.750   2.629   1.460
  258   2HB   PHE  38          2HB       PHE  38  -2.930   3.026   2.957
  259    HD1  PHE  38           HD1      PHE  38  -4.192   4.424  -0.215
  260    HD2  PHE  38           HD2      PHE  38  -2.652   5.289   3.644
  261    HE1  PHE  38           HE1      PHE  38  -4.863   6.827  -0.485
  262    HE2  PHE  38           HE2      PHE  38  -3.323   7.692   3.373
  263    HZ   PHE  38           HZ       PHE  38  -4.421   8.433   1.312
  264    H    ASP  39           H        ASP  39  -1.437   5.450   0.747
  265    HA   ASP  39           HA       ASP  39   0.145   6.222   2.846
  266   1HB   ASP  39          1HB       ASP  39   1.940   4.871   1.843
  267   2HB   ASP  39          2HB       ASP  39   1.683   5.619   0.279
  268    H    SER  40           H        SER  40   0.315   8.548   2.783
  269    HA   SER  40           HA       SER  40  -0.419   9.756   0.238
  270   1HB   SER  40          1HB       SER  40  -1.935  11.301   1.350
  271   2HB   SER  40          2HB       SER  40  -2.406   9.664   1.762
  272    HG   SER  40           HG       SER  40  -2.053  10.089   3.827
  273    H    ARG  41           H        ARG  41   2.117   9.290   1.995
  274    HA   ARG  41           HA       ARG  41   2.861  11.663   3.143
  275   1HB   ARG  41          1HB       ARG  41   3.998   9.204   2.929
  276   2HB   ARG  41          2HB       ARG  41   4.956  10.030   1.716
  277   1HG   ARG  41          1HG       ARG  41   5.421  11.850   3.464
  278   2HG   ARG  41          2HG       ARG  41   4.652  10.814   4.649
  279   1HD   ARG  41          1HD       ARG  41   6.731   9.914   4.951
  280   2HD   ARG  41          2HD       ARG  41   6.425   9.044   3.460
  281    HE   ARG  41           HE       ARG  41   7.968  10.421   2.364
  282   1HH1  ARG  41          1HH1      ARG  41   7.026  11.935   5.398
  283   2HH1  ARG  41          2HH1      ARG  41   8.200  13.202   5.278
  284   1HH2  ARG  41          1HH2      ARG  41   9.517  12.094   2.205
  285   2HH2  ARG  41          2HH2      ARG  41   9.627  13.293   3.449
  286    H    ILE  42           H        ILE  42   3.406  10.400  -0.218
  287    HA   ILE  42           HA       ILE  42   3.602  13.147  -1.137
  288    HB   ILE  42           HB       ILE  42   5.621  12.002  -2.572
  289   1HG1  ILE  42          1HG1      ILE  42   7.176  11.006  -0.918
  290   2HG1  ILE  42          2HG1      ILE  42   5.900  11.017   0.283
  291   1HG2  ILE  42          1HG2      ILE  42   5.297  14.035  -0.516
  292   2HG2  ILE  42          2HG2      ILE  42   6.917  13.296  -0.478
  293   3HG2  ILE  42          3HG2      ILE  42   6.310  14.033  -1.980
  294   1HD1  ILE  42          1HD1      ILE  42   5.111   9.770  -2.296
  295   2HD1  ILE  42          2HD1      ILE  42   6.410   8.919  -1.427
  296   3HD1  ILE  42          3HD1      ILE  42   4.845   9.204  -0.630
  297    HA   PRO  43           HA       PRO  43   1.186  11.276  -4.208
  298   1HB   PRO  43          1HB       PRO  43   0.900  13.419  -5.880
  299   2HB   PRO  43          2HB       PRO  43  -0.088  13.179  -4.453
  300   1HG   PRO  43          1HG       PRO  43   2.141  15.076  -4.864
  301   2HG   PRO  43          2HG       PRO  43   0.888  15.103  -3.640
  302   1HD   PRO  43          1HD       PRO  43   3.615  14.287  -3.287
  303   2HD   PRO  43          2HD       PRO  43   2.334  14.205  -2.094
  304    H    GLY  44           H        GLY  44   4.064  13.044  -5.116
  305   1HA   GLY  44          1HA       GLY  44   5.722  12.414  -6.518
  306   2HA   GLY  44          2HA       GLY  44   4.427  12.343  -7.696
  307    H    VAL  45           H        VAL  45   4.470  10.179  -4.864
  308    HA   VAL  45           HA       VAL  45   5.377   8.000  -6.603
  309    HB   VAL  45           HB       VAL  45   6.332   7.031  -4.800
  310   1HG1  VAL  45          1HG1      VAL  45   6.171   9.942  -3.961
  311   2HG1  VAL  45          2HG1      VAL  45   7.262   8.745  -3.224
  312   3HG1  VAL  45          3HG1      VAL  45   7.434   9.165  -4.945
  313   1HG2  VAL  45          1HG2      VAL  45   4.114   8.250  -3.141
  314   2HG2  VAL  45          2HG2      VAL  45   4.427   6.532  -3.490
  315   3HG2  VAL  45          3HG2      VAL  45   5.518   7.434  -2.411
  316    HA   PRO  46           HA       PRO  46   1.518   6.068  -6.322
  317   1HB   PRO  46          1HB       PRO  46   2.054   3.421  -5.905
  318   2HB   PRO  46          2HB       PRO  46   2.210   4.196  -7.469
  319   1HG   PRO  46          1HG       PRO  46   4.337   3.368  -5.590
  320   2HG   PRO  46          2HG       PRO  46   4.465   3.741  -7.298
  321   1HD   PRO  46          1HD       PRO  46   5.250   5.422  -5.111
  322   2HD   PRO  46          2HD       PRO  46   5.269   5.839  -6.813
  323    H    TRP  47           H        TRP  47   0.567   7.174  -4.601
  324    HA   TRP  47           HA       TRP  47   0.940   6.896  -2.007
  325   1HB   TRP  47          1HB       TRP  47  -1.537   7.170  -3.637
  326   2HB   TRP  47          2HB       TRP  47  -1.724   6.845  -1.925
  327    HD1  TRP  47           HD1      TRP  47   1.194   9.078  -3.064
  328    HE1  TRP  47           HE1      TRP  47   0.866  11.571  -2.264
  329    HE3  TRP  47           HE3      TRP  47  -3.554   8.457  -1.353
  330    HZ2  TRP  47           HZ2      TRP  47  -1.294  12.972  -1.033
  331    HZ3  TRP  47           HZ3      TRP  47  -4.701  10.438  -0.366
  332    HH2  TRP  47           HH2      TRP  47  -3.648  12.637  -0.192
  333    H    CYS  48           H        CYS  48  -1.017   4.575  -4.011
  334    HA   CYS  48           HA       CYS  48  -0.955   2.714  -1.786
  335   1HB   CYS  48          1HB       CYS  48  -3.036   3.286  -3.194
  336   2HB   CYS  48          2HB       CYS  48  -2.322   2.272  -4.432
  337    H    PHE  49           H        PHE  49   0.893   1.475  -1.679
  338    HA   PHE  49           HA       PHE  49   1.880   0.392  -4.219
  339   1HB   PHE  49          1HB       PHE  49   4.176   0.589  -2.983
  340   2HB   PHE  49          2HB       PHE  49   3.473   2.094  -3.541
  341    HD1  PHE  49           HD1      PHE  49   3.583  -0.087  -0.517
  342    HD2  PHE  49           HD2      PHE  49   3.254   3.856  -2.053
  343    HE1  PHE  49           HE1      PHE  49   3.697   0.832   1.816
  344    HE2  PHE  49           HE2      PHE  49   3.368   4.774   0.280
  345    HZ   PHE  49           HZ       PHE  49   3.589   3.251   2.187
  346    H    LYS  50           H        LYS  50   3.293  -1.608  -3.858
  347    HA   LYS  50           HA       LYS  50   1.844  -3.418  -2.243
  348   1HB   LYS  50          1HB       LYS  50   4.419  -3.675  -3.819
  349   2HB   LYS  50          2HB       LYS  50   3.655  -5.014  -2.986
  350   1HG   LYS  50          1HG       LYS  50   1.518  -3.912  -4.395
  351   2HG   LYS  50          2HG       LYS  50   2.855  -3.652  -5.498
  352   1HD   LYS  50          1HD       LYS  50   3.221  -6.292  -4.522
  353   2HD   LYS  50          2HD       LYS  50   1.497  -6.151  -4.800
  354   1HE   LYS  50          1HE       LYS  50   2.714  -4.904  -7.048
  355   2HE   LYS  50          2HE       LYS  50   3.666  -6.346  -6.754
  356   1HZ   LYS  50          1HZ       LYS  50   1.342  -7.417  -6.526
  357   2HZ   LYS  50          2HZ       LYS  50   0.845  -6.135  -7.407
  358   3HZ   LYS  50          3HZ       LYS  50   1.974  -7.151  -8.008
  359    HA   PRO  51           HA       PRO  51   4.115  -3.331   1.426
  360   1HB   PRO  51          1HB       PRO  51   4.209  -5.943   2.225
  361   2HB   PRO  51          2HB       PRO  51   2.792  -4.931   2.421
  362   1HG   PRO  51          1HG       PRO  51   3.270  -7.090   0.459
  363   2HG   PRO  51          2HG       PRO  51   1.750  -6.370   0.951
  364   1HD   PRO  51          1HD       PRO  51   3.176  -5.870  -1.487
  365   2HD   PRO  51          2HD       PRO  51   1.717  -5.066  -0.942
  366    H    LEU  52           H        LEU  52   6.145  -2.703   1.747
  367    HA   LEU  52           HA       LEU  52   8.218  -3.167   0.221
  368   1HB   LEU  52          1HB       LEU  52   8.480  -1.757   2.061
  369   2HB   LEU  52          2HB       LEU  52   8.066  -3.010   3.214
  370    HG   LEU  52           HG       LEU  52  10.524  -3.401   1.556
  371   1HD1  LEU  52          1HD1      LEU  52  10.364  -0.965   2.505
  372   2HD1  LEU  52          2HD1      LEU  52  10.751  -1.756   4.052
  373   3HD1  LEU  52          3HD1      LEU  52  11.867  -1.903   2.674
  374   1HD2  LEU  52          1HD2      LEU  52   9.307  -4.608   3.837
  375   2HD2  LEU  52          2HD2      LEU  52  10.788  -5.084   2.972
  376   3HD2  LEU  52          3HD2      LEU  52  10.880  -3.935   4.328
  377    H    GLN  53           H        GLN  53   8.507  -5.061  -0.906
  378    HA   GLN  53           HA       GLN  53   8.236  -7.558   0.339
  379   1HB   GLN  53          1HB       GLN  53   9.568  -8.218  -1.892
  380   2HB   GLN  53          2HB       GLN  53   7.879  -7.754  -1.932
  381   1HG   GLN  53          1HG       GLN  53   9.418  -6.584  -3.631
  382   2HG   GLN  53          2HG       GLN  53   8.374  -5.540  -2.687
  383   2HE2  GLN  53          2HE2      GLN  53   9.303  -3.797  -1.967
  384   1HE2  GLN  53          1HE2      GLN  53  10.956  -3.599  -1.488
  385    H    GLU  54           H        GLU  54   9.788  -6.535   2.182
  386    HA   GLU  54           HA       GLU  54  12.206  -8.000   1.885
  387   1HB   GLU  54          1HB       GLU  54  12.384  -5.393   1.031
  388   2HB   GLU  54          2HB       GLU  54  12.790  -5.201   2.725
  389   1HG   GLU  54          1HG       GLU  54  14.753  -6.430   2.549
  390   2HG   GLU  54          2HG       GLU  54  14.109  -7.494   1.314
  391    H    ALA  55           H        ALA  55   9.854  -8.210   3.534
  392    HA   ALA  55           HA       ALA  55  11.002  -7.506   6.150
  393   1HB   ALA  55          1HB       ALA  55   8.350  -7.060   4.966
  394   2HB   ALA  55          2HB       ALA  55   9.092  -6.328   6.409
  395   3HB   ALA  55          3HB       ALA  55   8.274  -7.904   6.532
  396    H    GLU  56           H        GLU  56  12.198  -9.624   5.688
  397    HA   GLU  56           HA       GLU  56  10.775 -11.668   7.039
  398   1HB   GLU  56          1HB       GLU  56  10.946 -13.395   5.294
  399   2HB   GLU  56          2HB       GLU  56   9.952 -12.064   4.737
  400   1HG   GLU  56          1HG       GLU  56  12.558 -11.312   3.974
  401   2HG   GLU  56          2HG       GLU  56  12.525 -13.040   3.684
  402    H    CYS  57           H        CYS  57  12.216 -13.315   7.869
  403    HA   CYS  57           HA       CYS  57  14.122 -13.928   8.782
  404   1HB   CYS  57          1HB       CYS  57  14.592 -15.082   6.827
  405   2HB   CYS  57          2HB       CYS  57  14.858 -13.624   5.893
  406    H    THR  58           H        THR  58  14.423 -12.209  10.294
  407    HA   THR  58           HA       THR  58  16.631 -10.449   9.643
  408    HB   THR  58           HB       THR  58  14.747  -9.089   8.884
  409    HG1  THR  58           HG1      THR  58  16.102  -7.794  10.146
  410   1HG2  THR  58          1HG2      THR  58  12.981 -10.392  10.266
  411   2HG2  THR  58          2HG2      THR  58  13.522  -9.429  11.662
  412   3HG2  THR  58          3HG2      THR  58  12.806  -8.621  10.247
  413    H    PHE  59           H        PHE  59  14.103 -11.381  12.057
  414    HA   PHE  59           HA       PHE  59  15.956 -10.774  14.185
  415   1HB   PHE  59          1HB       PHE  59  13.068 -11.625  13.785
  416   2HB   PHE  59          2HB       PHE  59  13.784 -11.979  15.344
  417    HD1  PHE  59           HD1      PHE  59  14.955  -9.958  16.535
  418    HD2  PHE  59           HD2      PHE  59  12.085  -9.555  13.435
  419    HE1  PHE  59           HE1      PHE  59  14.469  -7.615  17.290
  420    HE2  PHE  59           HE2      PHE  59  11.599  -7.211  14.190
  421    HZ   PHE  59           HZ       PHE  59  12.797  -6.269  16.109

  No H/Q in entry =         421
  Start of MODEL   74
    1    H    GLU   1           H        GLU   1   4.391 -15.250  21.002
    2    HA   GLU   1           HA       GLU   1   5.227 -13.105  21.670
    3   1HB   GLU   1          1HB       GLU   1   5.885 -14.417  19.108
    4   2HB   GLU   1          2HB       GLU   1   6.359 -12.730  19.143
    5   1HG   GLU   1          1HG       GLU   1   8.247 -13.770  20.078
    6   2HG   GLU   1          2HG       GLU   1   7.361 -13.293  21.513
    7    H    GLU   2           H        GLU   2   3.495 -13.034  18.477
    8    HA   GLU   2           HA       GLU   2   2.133 -11.534  17.650
    9   1HB   GLU   2          1HB       GLU   2   1.503 -11.052  20.107
   10   2HB   GLU   2          2HB       GLU   2   2.601  -9.689  20.023
   11   1HG   GLU   2          1HG       GLU   2   0.624  -9.919  17.781
   12   2HG   GLU   2          2HG       GLU   2  -0.044  -9.533  19.355
   13    H    TYR   3           H        TYR   3   3.602 -11.179  15.920
   14    HA   TYR   3           HA       TYR   3   4.885  -8.572  16.021
   15   1HB   TYR   3          1HB       TYR   3   6.540 -10.390  16.745
   16   2HB   TYR   3          2HB       TYR   3   6.209 -11.250  15.254
   17    HD1  TYR   3           HD1      TYR   3   7.543  -8.013  16.559
   18    HD2  TYR   3           HD2      TYR   3   7.457 -10.795  13.310
   19    HE1  TYR   3           HE1      TYR   3   9.402  -6.724  15.396
   20    HE2  TYR   3           HE2      TYR   3   9.315  -9.497  12.158
   21    HH   TYR   3           HH       TYR   3  10.401  -6.415  13.405
   22    H    VAL   4           H        VAL   4   3.529  -7.726  14.439
   23    HA   VAL   4           HA       VAL   4   4.134  -8.340  11.783
   24    HB   VAL   4           HB       VAL   4   2.796 -10.371  12.386
   25   1HG1  VAL   4          1HG1      VAL   4   1.195  -9.028  13.873
   26   2HG1  VAL   4          2HG1      VAL   4   0.381  -8.550  12.364
   27   3HG1  VAL   4          3HG1      VAL   4   0.479 -10.269  12.816
   28   1HG2  VAL   4          1HG2      VAL   4   2.918  -8.998  10.060
   29   2HG2  VAL   4          2HG2      VAL   4   2.037 -10.532  10.253
   30   3HG2  VAL   4          3HG2      VAL   4   1.159  -8.986  10.330
   31    H    GLY   5           H        GLY   5   4.085  -6.300  11.004
   32   1HA   GLY   5          1HA       GLY   5   3.564  -4.077  10.978
   33   2HA   GLY   5          2HA       GLY   5   2.353  -4.327  12.220
   34    H    LEU   6           H        LEU   6   0.184  -4.640  11.661
   35    HA   LEU   6           HA       LEU   6  -0.786  -5.641   9.320
   36   1HB   LEU   6          1HB       LEU   6  -2.790  -4.092   9.883
   37   2HB   LEU   6          2HB       LEU   6  -2.362  -5.424  10.939
   38    HG   LEU   6           HG       LEU   6  -0.946  -3.065  11.788
   39   1HD1  LEU   6          1HD1      LEU   6  -3.779  -2.654  10.986
   40   2HD1  LEU   6          2HD1      LEU   6  -3.274  -1.993  12.560
   41   3HD1  LEU   6          3HD1      LEU   6  -2.424  -1.502  11.075
   42   1HD2  LEU   6          1HD2      LEU   6  -1.862  -5.268  12.970
   43   2HD2  LEU   6          2HD2      LEU   6  -1.574  -3.755  13.862
   44   3HD2  LEU   6          3HD2      LEU   6  -3.223  -4.185  13.349
   45    H    SER   7           H        SER   7   0.179  -2.249  10.080
   46    HA   SER   7           HA       SER   7   0.539  -1.848   7.262
   47   1HB   SER   7          1HB       SER   7  -0.792   0.258   7.229
   48   2HB   SER   7          2HB       SER   7  -1.791  -1.152   7.522
   49    HG   SER   7           HG       SER   7  -2.488  -0.030   9.213
   50    H    ALA   8           H        ALA   8   2.730  -1.389   7.465
   51    HA   ALA   8           HA       ALA   8   3.641   1.053   8.162
   52   1HB   ALA   8          1HB       ALA   8   3.096  -0.584  10.545
   53   2HB   ALA   8          2HB       ALA   8   4.772   0.010  10.472
   54   3HB   ALA   8          3HB       ALA   8   3.416   1.161  10.408
   55    H    ASN   9           H        ASN   9   5.005  -1.973   9.578
   56    HA   ASN   9           HA       ASN   9   7.456  -1.684   8.499
   57   1HB   ASN   9          1HB       ASN   9   6.327  -3.520  10.131
   58   2HB   ASN   9          2HB       ASN   9   6.298  -4.476   8.663
   59   2HD2  ASN   9          2HD2      ASN   9   7.798  -4.961  11.047
   60   1HD2  ASN   9          1HD2      ASN   9   9.484  -4.960  10.646
   61    H    GLN  10           H        GLN  10   4.493  -3.206   7.119
   62    HA   GLN  10           HA       GLN  10   5.865  -4.172   4.830
   63   1HB   GLN  10          1HB       GLN  10   2.884  -3.837   4.812
   64   2HB   GLN  10          2HB       GLN  10   3.855  -5.193   4.274
   65   1HG   GLN  10          1HG       GLN  10   4.441  -5.271   6.938
   66   2HG   GLN  10          2HG       GLN  10   2.847  -4.548   7.025
   67   2HE2  GLN  10          2HE2      GLN  10   1.839  -6.281   7.912
   68   1HE2  GLN  10          1HE2      GLN  10   1.545  -7.776   7.089
   69    H    CYS  11           H        CYS  11   4.079  -1.243   5.768
   70    HA   CYS  11           HA       CYS  11   4.346  -0.280   3.017
   71   1HB   CYS  11          1HB       CYS  11   2.708   1.221   4.988
   72   2HB   CYS  11          2HB       CYS  11   2.479   0.995   3.266
   73    H    ALA  12           H        ALA  12   6.677  -0.458   4.601
   74    HA   ALA  12           HA       ALA  12   7.058   2.310   5.509
   75   1HB   ALA  12          1HB       ALA  12   9.216   0.783   6.402
   76   2HB   ALA  12          2HB       ALA  12   7.802   1.269   7.368
   77   3HB   ALA  12          3HB       ALA  12   7.826  -0.317   6.561
   78    H    VAL  13           H        VAL  13   6.993   1.855   2.745
   79    HA   VAL  13           HA       VAL  13   9.715   1.423   1.879
   80    HB   VAL  13           HB       VAL  13   7.672   2.438   0.003
   81   1HG1  VAL  13          1HG1      VAL  13   9.951   0.552   0.059
   82   2HG1  VAL  13          2HG1      VAL  13   8.588   0.063  -0.977
   83   3HG1  VAL  13          3HG1      VAL  13   9.383   1.635  -1.235
   84   1HG2  VAL  13          1HG2      VAL  13   7.246  -0.038   1.658
   85   2HG2  VAL  13          2HG2      VAL  13   6.073   1.192   1.130
   86   3HG2  VAL  13          3HG2      VAL  13   6.704   0.005  -0.036
   87    HA   PRO  14           HA       PRO  14  10.765   5.616   1.884
   88   1HB   PRO  14          1HB       PRO  14  12.843   5.629   0.108
   89   2HB   PRO  14          2HB       PRO  14  13.012   5.124   1.778
   90   1HG   PRO  14          1HG       PRO  14  12.919   3.457  -0.661
   91   2HG   PRO  14          2HG       PRO  14  13.502   3.034   0.936
   92   1HD   PRO  14          1HD       PRO  14  11.002   2.262  -0.239
   93   2HD   PRO  14          2HD       PRO  14  11.535   1.936   1.398
   94    H    ALA  15           H        ALA  15   9.115   4.213  -0.522
   95    HA   ALA  15           HA       ALA  15   7.662   5.267  -1.900
   96   1HB   ALA  15          1HB       ALA  15   9.268   7.789  -2.088
   97   2HB   ALA  15          2HB       ALA  15   7.504   7.561  -2.034
   98   3HB   ALA  15          3HB       ALA  15   8.464   7.436  -0.540
   99    H    LYS  16           H        LYS  16  11.151   5.148  -2.131
  100    HA   LYS  16           HA       LYS  16  11.053   5.344  -5.033
  101   1HB   LYS  16          1HB       LYS  16  13.487   5.358  -4.902
  102   2HB   LYS  16          2HB       LYS  16  12.797   6.590  -3.865
  103   1HG   LYS  16          1HG       LYS  16  14.476   5.556  -2.524
  104   2HG   LYS  16          2HG       LYS  16  12.969   4.882  -1.935
  105   1HD   LYS  16          1HD       LYS  16  13.344   2.784  -2.947
  106   2HD   LYS  16          2HD       LYS  16  14.422   3.442  -4.162
  107   1HE   LYS  16          1HE       LYS  16  15.670   4.027  -1.676
  108   2HE   LYS  16          2HE       LYS  16  15.062   2.392  -1.505
  109   1HZ   LYS  16          1HZ       LYS  16  16.107   2.012  -3.755
  110   2HZ   LYS  16          2HZ       LYS  16  16.909   3.416  -3.527
  111   3HZ   LYS  16          3HZ       LYS  16  17.126   2.175  -2.489
  112    H    ASP  17           H        ASP  17   9.987   3.088  -3.084
  113    HA   ASP  17           HA       ASP  17  11.132   0.982  -4.722
  114   1HB   ASP  17          1HB       ASP  17  11.482   1.314  -1.875
  115   2HB   ASP  17          2HB       ASP  17  10.442  -0.075  -2.121
  116    H    ARG  18           H        ARG  18   8.541   2.716  -4.414
  117    HA   ARG  18           HA       ARG  18   6.592   0.924  -3.458
  118   1HB   ARG  18          1HB       ARG  18   6.152   3.318  -5.306
  119   2HB   ARG  18          2HB       ARG  18   4.982   2.606  -4.213
  120   1HG   ARG  18          1HG       ARG  18   7.585   3.943  -3.332
  121   2HG   ARG  18          2HG       ARG  18   6.014   4.719  -3.314
  122   1HD   ARG  18          1HD       ARG  18   5.239   2.708  -1.834
  123   2HD   ARG  18          2HD       ARG  18   6.944   2.351  -1.641
  124    HE   ARG  18           HE       ARG  18   7.061   4.110  -0.123
  125   1HH1  ARG  18          1HH1      ARG  18   4.407   4.742  -2.346
  126   2HH1  ARG  18          2HH1      ARG  18   3.920   6.202  -1.551
  127   1HH2  ARG  18          1HH2      ARG  18   6.419   6.036   0.926
  128   2HH2  ARG  18          2HH2      ARG  18   5.072   6.943   0.322
  129    H    VAL  19           H        VAL  19   5.773  -0.836  -4.549
  130    HA   VAL  19           HA       VAL  19   6.480  -1.250  -7.282
  131    HB   VAL  19           HB       VAL  19   4.753  -2.768  -5.321
  132   1HG1  VAL  19          1HG1      VAL  19   5.599  -3.466  -8.146
  133   2HG1  VAL  19          2HG1      VAL  19   5.052  -4.678  -6.963
  134   3HG1  VAL  19          3HG1      VAL  19   3.951  -3.378  -7.480
  135   1HG2  VAL  19          1HG2      VAL  19   7.349  -2.477  -5.053
  136   2HG2  VAL  19          2HG2      VAL  19   6.599  -4.076  -4.832
  137   3HG2  VAL  19          3HG2      VAL  19   7.421  -3.682  -6.361
  138    H    ASP  20           H        ASP  20   4.079   0.579  -5.718
  139    HA   ASP  20           HA       ASP  20   2.237   1.527  -6.357
  140   1HB   ASP  20          1HB       ASP  20   3.700   2.240  -8.280
  141   2HB   ASP  20          2HB       ASP  20   3.159   0.842  -9.188
  142    H    CYS  21           H        CYS  21   0.446   0.270  -5.749
  143    HA   CYS  21           HA       CYS  21  -0.031  -2.277  -6.846
  144   1HB   CYS  21          1HB       CYS  21  -0.879  -0.876  -4.625
  145   2HB   CYS  21          2HB       CYS  21  -2.331  -0.951  -5.604
  146    H    GLY  22           H        GLY  22  -0.607   0.979  -7.895
  147   1HA   GLY  22          1HA       GLY  22  -1.709   0.221 -10.356
  148   2HA   GLY  22          2HA       GLY  22  -1.655   1.839  -9.686
  149    H    TYR  23           H        TYR  23  -3.351   2.365  -7.938
  150    HA   TYR  23           HA       TYR  23  -5.893   1.236  -8.839
  151   1HB   TYR  23          1HB       TYR  23  -4.604   0.462  -6.493
  152   2HB   TYR  23          2HB       TYR  23  -5.477   1.866  -5.912
  153    HD1  TYR  23           HD1      TYR  23  -6.434  -0.818  -8.358
  154    HD2  TYR  23           HD2      TYR  23  -7.284   1.135  -4.648
  155    HE1  TYR  23           HE1      TYR  23  -8.533  -2.227  -8.089
  156    HE2  TYR  23           HE2      TYR  23  -9.381  -0.281  -4.392
  157    HH   TYR  23           HH       TYR  23 -10.568  -2.229  -6.985
  158    HA   PRO  24           HA       PRO  24  -6.986   5.425  -8.679
  159   1HB   PRO  24          1HB       PRO  24  -9.700   5.218  -8.922
  160   2HB   PRO  24          2HB       PRO  24  -8.606   5.131 -10.288
  161   1HG   PRO  24          1HG       PRO  24 -10.076   2.944  -8.948
  162   2HG   PRO  24          2HG       PRO  24  -9.334   2.956 -10.536
  163   1HD   PRO  24          1HD       PRO  24  -8.301   1.708  -8.169
  164   2HD   PRO  24          2HD       PRO  24  -7.506   1.820  -9.727
  165    H    HIS  25           H        HIS  25  -9.765   4.010  -7.063
  166    HA   HIS  25           HA       HIS  25  -9.680   6.000  -5.083
  167   1HB   HIS  25          1HB       HIS  25 -11.707   5.217  -4.533
  168   2HB   HIS  25          2HB       HIS  25 -11.567   4.301  -6.020
  169    HD1  HIS  25           HD1      HIS  25 -12.421   3.831  -2.593
  170    HD2  HIS  25           HD2      HIS  25 -10.219   1.603  -5.382
  171    HE1  HIS  25           HE1      HIS  25 -12.352   1.441  -1.703
  172    HE2  HIS  25           HE2      HIS  25 -11.033   0.108  -3.486
  173    H    VAL  26           H        VAL  26  -7.792   6.117  -3.890
  174    HA   VAL  26           HA       VAL  26  -7.172   3.700  -2.339
  175    HB   VAL  26           HB       VAL  26  -4.790   4.488  -2.424
  176   1HG1  VAL  26          1HG1      VAL  26  -6.300   3.433  -4.797
  177   2HG1  VAL  26          2HG1      VAL  26  -4.558   3.767  -4.945
  178   3HG1  VAL  26          3HG1      VAL  26  -5.142   2.610  -3.724
  179   1HG2  VAL  26          1HG2      VAL  26  -5.921   6.320  -4.560
  180   2HG2  VAL  26          2HG2      VAL  26  -5.034   6.777  -3.086
  181   3HG2  VAL  26          3HG2      VAL  26  -4.191   5.929  -4.404
  182    H    THR  27           H        THR  27  -7.177   3.996  -0.157
  183    HA   THR  27           HA       THR  27  -6.887   6.742   0.833
  184    HB   THR  27           HB       THR  27  -8.925   6.610   2.061
  185    HG1  THR  27           HG1      THR  27  -8.584   3.772   1.412
  186   1HG2  THR  27          1HG2      THR  27  -9.378   6.616  -0.471
  187   2HG2  THR  27          2HG2      THR  27  -9.573   4.850  -0.356
  188   3HG2  THR  27          3HG2      THR  27 -10.686   5.927   0.521
  189    HA   PRO  28           HA       PRO  28  -4.535   4.968   3.955
  190   1HB   PRO  28          1HB       PRO  28  -5.187   6.353   6.218
  191   2HB   PRO  28          2HB       PRO  28  -4.126   6.990   4.978
  192   1HG   PRO  28          1HG       PRO  28  -6.938   7.697   5.552
  193   2HG   PRO  28          2HG       PRO  28  -5.748   8.592   4.628
  194   1HD   PRO  28          1HD       PRO  28  -7.914   7.030   3.581
  195   2HD   PRO  28          2HD       PRO  28  -6.656   7.829   2.659
  196    H    LYS  29           H        LYS  29  -6.808   3.433   3.322
  197    HA   LYS  29           HA       LYS  29  -6.730   1.650   5.443
  198   1HB   LYS  29          1HB       LYS  29  -8.103   3.672   6.412
  199   2HB   LYS  29          2HB       LYS  29  -9.412   3.006   5.456
  200   1HG   LYS  29          1HG       LYS  29  -8.005   0.884   6.912
  201   2HG   LYS  29          2HG       LYS  29  -8.554   2.132   8.012
  202   1HD   LYS  29          1HD       LYS  29 -10.492   1.194   5.905
  203   2HD   LYS  29          2HD       LYS  29 -10.153   0.099   7.230
  204   1HE   LYS  29          1HE       LYS  29 -12.038   1.405   7.944
  205   2HE   LYS  29          2HE       LYS  29 -10.667   2.037   8.834
  206   1HZ   LYS  29          1HZ       LYS  29 -11.739   3.192   6.353
  207   2HZ   LYS  29          2HZ       LYS  29 -11.984   3.782   7.855
  208   3HZ   LYS  29          3HZ       LYS  29 -10.484   3.789   7.210
  209    H    GLU  30           H        GLU  30  -8.951   3.075   2.955
  210    HA   GLU  30           HA       GLU  30 -10.059   0.618   2.268
  211   1HB   GLU  30          1HB       GLU  30 -10.644   3.209   1.695
  212   2HB   GLU  30          2HB       GLU  30  -9.869   2.766   0.187
  213   1HG   GLU  30          1HG       GLU  30 -12.299   2.341   0.056
  214   2HG   GLU  30          2HG       GLU  30 -11.412   0.834  -0.068
  215    H    CYS  31           H        CYS  31  -7.255   2.493   0.994
  216    HA   CYS  31           HA       CYS  31  -6.774   0.832  -1.198
  217   1HB   CYS  31          1HB       CYS  31  -5.697   2.820  -1.419
  218   2HB   CYS  31          2HB       CYS  31  -5.285   2.931   0.281
  219    H    ASN  32           H        ASN  32  -5.963   0.704   2.276
  220    HA   ASN  32           HA       ASN  32  -4.163  -1.490   1.842
  221   1HB   ASN  32          1HB       ASN  32  -3.350  -0.929   3.915
  222   2HB   ASN  32          2HB       ASN  32  -4.348   0.506   3.782
  223   2HD2  ASN  32          2HD2      ASN  32  -3.884  -2.554   5.274
  224   1HD2  ASN  32          1HD2      ASN  32  -5.203  -2.515   6.396
  225    H    ASN  33           H        ASN  33  -7.442  -1.146   1.757
  226    HA   ASN  33           HA       ASN  33  -7.993  -3.470   3.404
  227   1HB   ASN  33          1HB       ASN  33  -9.420  -1.376   3.638
  228   2HB   ASN  33          2HB       ASN  33  -9.935  -1.578   1.976
  229   2HD2  ASN  33          2HD2      ASN  33 -10.637  -2.215   5.146
  230   1HD2  ASN  33          1HD2      ASN  33 -11.779  -3.506   4.977
  231    H    ARG  34           H        ARG  34  -8.068  -2.112   0.083
  232    HA   ARG  34           HA       ARG  34  -9.542  -4.138  -1.089
  233   1HB   ARG  34          1HB       ARG  34  -8.659  -1.767  -1.972
  234   2HB   ARG  34          2HB       ARG  34  -7.328  -2.721  -2.597
  235   1HG   ARG  34          1HG       ARG  34 -10.190  -3.587  -3.120
  236   2HG   ARG  34          2HG       ARG  34  -9.463  -2.330  -4.102
  237   1HD   ARG  34          1HD       ARG  34  -7.455  -4.072  -4.331
  238   2HD   ARG  34          2HD       ARG  34  -8.674  -5.245  -3.872
  239    HE   ARG  34           HE       ARG  34  -8.502  -3.824  -6.414
  240   1HH1  ARG  34          1HH1      ARG  34 -10.715  -5.410  -4.184
  241   2HH1  ARG  34          2HH1      ARG  34 -11.892  -5.765  -5.404
  242   1HH2  ARG  34          1HH2      ARG  34 -10.054  -4.292  -8.024
  243   2HH2  ARG  34          2HH2      ARG  34 -11.513  -5.125  -7.603
  244    H    GLY  35           H        GLY  35  -6.185  -3.914  -0.024
  245   1HA   GLY  35          1HA       GLY  35  -5.604  -6.508  -1.327
  246   2HA   GLY  35          2HA       GLY  35  -5.184  -6.146   0.335
  247    H    CYS  36           H        CYS  36  -3.784  -4.087   0.672
  248    HA   CYS  36           HA       CYS  36  -1.401  -4.399  -0.605
  249   1HB   CYS  36          1HB       CYS  36  -3.154  -3.167  -2.392
  250   2HB   CYS  36          2HB       CYS  36  -2.195  -1.847  -1.753
  251    H    CYS  37           H        CYS  37  -0.646  -1.520  -0.663
  252    HA   CYS  37           HA       CYS  37  -1.234  -0.826   2.122
  253   1HB   CYS  37          1HB       CYS  37   1.397  -1.035   0.720
  254   2HB   CYS  37          2HB       CYS  37   1.188   0.225   1.921
  255    H    PHE  38           H        PHE  38  -1.204   1.533   2.531
  256    HA   PHE  38           HA       PHE  38  -1.570   3.056   0.046
  257   1HB   PHE  38          1HB       PHE  38  -3.667   2.742   1.334
  258   2HB   PHE  38          2HB       PHE  38  -2.860   3.157   2.833
  259    HD1  PHE  38           HD1      PHE  38  -4.311   4.475  -0.256
  260    HD2  PHE  38           HD2      PHE  38  -2.399   5.473   3.398
  261    HE1  PHE  38           HE1      PHE  38  -4.996   6.871  -0.552
  262    HE2  PHE  38           HE2      PHE  38  -3.084   7.869   3.103
  263    HZ   PHE  38           HZ       PHE  38  -4.375   8.540   1.131
  264    H    ASP  39           H        ASP  39  -1.423   5.583   0.649
  265    HA   ASP  39           HA       ASP  39   0.242   6.320   2.727
  266   1HB   ASP  39          1HB       ASP  39   2.103   5.251   1.691
  267   2HB   ASP  39          2HB       ASP  39   1.582   5.701   0.079
  268    H    SER  40           H        SER  40   0.437   8.672   2.733
  269    HA   SER  40           HA       SER  40  -0.575   9.977   0.342
  270   1HB   SER  40          1HB       SER  40  -2.024  11.437   1.692
  271   2HB   SER  40          2HB       SER  40  -2.469   9.758   1.922
  272    HG   SER  40           HG       SER  40  -2.242  11.197   3.902
  273    H    ARG  41           H        ARG  41   2.050   9.515   2.076
  274    HA   ARG  41           HA       ARG  41   2.742  11.943   3.166
  275   1HB   ARG  41          1HB       ARG  41   3.913   9.506   3.092
  276   2HB   ARG  41          2HB       ARG  41   4.854  10.256   1.818
  277   1HG   ARG  41          1HG       ARG  41   4.562  11.995   4.194
  278   2HG   ARG  41          2HG       ARG  41   5.350  10.473   4.563
  279   1HD   ARG  41          1HD       ARG  41   7.099  10.861   2.947
  280   2HD   ARG  41          2HD       ARG  41   6.209  12.158   2.175
  281    HE   ARG  41           HE       ARG  41   6.663  12.779   4.962
  282   1HH1  ARG  41          1HH1      ARG  41   8.294  12.652   1.846
  283   2HH1  ARG  41          2HH1      ARG  41   9.471  13.851   2.270
  284   1HH2  ARG  41          1HH2      ARG  41   8.215  14.361   5.521
  285   2HH2  ARG  41          2HH2      ARG  41   9.425  14.829   4.374
  286    H    ILE  42           H        ILE  42   3.328  10.558  -0.138
  287    HA   ILE  42           HA       ILE  42   3.521  13.273  -1.153
  288    HB   ILE  42           HB       ILE  42   5.529  12.061  -2.553
  289   1HG1  ILE  42          1HG1      ILE  42   7.083  11.127  -0.860
  290   2HG1  ILE  42          2HG1      ILE  42   5.805  11.186   0.338
  291   1HG2  ILE  42          1HG2      ILE  42   5.297  14.104  -0.434
  292   2HG2  ILE  42          2HG2      ILE  42   6.928  13.431  -0.673
  293   3HG2  ILE  42          3HG2      ILE  42   6.066  14.182  -2.037
  294   1HD1  ILE  42          1HD1      ILE  42   4.985   9.852  -2.178
  295   2HD1  ILE  42          2HD1      ILE  42   6.318   9.034  -1.328
  296   3HD1  ILE  42          3HD1      ILE  42   4.774   9.326  -0.491
  297    HA   PRO  43           HA       PRO  43   1.083  11.314  -4.151
  298   1HB   PRO  43          1HB       PRO  43   0.799  13.403  -5.889
  299   2HB   PRO  43          2HB       PRO  43  -0.185  13.213  -4.452
  300   1HG   PRO  43          1HG       PRO  43   2.051  15.086  -4.933
  301   2HG   PRO  43          2HG       PRO  43   0.803  15.159  -3.705
  302   1HD   PRO  43          1HD       PRO  43   3.528  14.342  -3.337
  303   2HD   PRO  43          2HD       PRO  43   2.252  14.305  -2.137
  304    H    GLY  44           H        GLY  44   3.987  13.006  -5.093
  305   1HA   GLY  44          1HA       GLY  44   5.652  12.257  -6.442
  306   2HA   GLY  44          2HA       GLY  44   4.379  12.309  -7.646
  307    H    VAL  45           H        VAL  45   4.771  10.096  -4.800
  308    HA   VAL  45           HA       VAL  45   5.373   7.907  -6.607
  309    HB   VAL  45           HB       VAL  45   6.179   6.805  -4.780
  310   1HG1  VAL  45          1HG1      VAL  45   6.998   9.378  -5.048
  311   2HG1  VAL  45          2HG1      VAL  45   6.490   9.380  -3.342
  312   3HG1  VAL  45          3HG1      VAL  45   7.717   8.219  -3.904
  313   1HG2  VAL  45          1HG2      VAL  45   4.167   8.339  -3.114
  314   2HG2  VAL  45          2HG2      VAL  45   4.214   6.593  -3.455
  315   3HG2  VAL  45          3HG2      VAL  45   5.449   7.328  -2.405
  316    HA   PRO  46           HA       PRO  46   1.428   6.143  -6.440
  317   1HB   PRO  46          1HB       PRO  46   1.847   3.463  -6.105
  318   2HB   PRO  46          2HB       PRO  46   2.056   4.281  -7.640
  319   1HG   PRO  46          1HG       PRO  46   4.122   3.303  -5.765
  320   2HG   PRO  46          2HG       PRO  46   4.287   3.725  -7.458
  321   1HD   PRO  46          1HD       PRO  46   5.114   5.300  -5.208
  322   2HD   PRO  46          2HD       PRO  46   5.173   5.771  -6.895
  323    H    TRP  47           H        TRP  47   0.544   7.256  -4.675
  324    HA   TRP  47           HA       TRP  47   0.838   6.917  -2.106
  325   1HB   TRP  47          1HB       TRP  47  -1.612   7.218  -3.764
  326   2HB   TRP  47          2HB       TRP  47  -1.836   6.842  -2.067
  327    HD1  TRP  47           HD1      TRP  47   1.117   9.102  -3.024
  328    HE1  TRP  47           HE1      TRP  47   0.756  11.575  -2.178
  329    HE3  TRP  47           HE3      TRP  47  -3.709   8.453  -1.560
  330    HZ2  TRP  47           HZ2      TRP  47  -1.459  12.951  -1.017
  331    HZ3  TRP  47           HZ3      TRP  47  -4.899  10.412  -0.580
  332    HH2  TRP  47           HH2      TRP  47  -3.851  12.602  -0.299
  333    H    CYS  48           H        CYS  48  -1.177   4.637  -4.107
  334    HA   CYS  48           HA       CYS  48  -1.109   2.748  -1.916
  335   1HB   CYS  48          1HB       CYS  48  -3.155   3.345  -3.398
  336   2HB   CYS  48          2HB       CYS  48  -2.422   2.279  -4.580
  337    H    PHE  49           H        PHE  49   0.527   1.250  -1.805
  338    HA   PHE  49           HA       PHE  49   1.594   0.231  -4.317
  339   1HB   PHE  49          1HB       PHE  49   3.910   0.470  -3.135
  340   2HB   PHE  49          2HB       PHE  49   3.192   1.960  -3.714
  341    HD1  PHE  49           HD1      PHE  49   3.405  -0.145  -0.645
  342    HD2  PHE  49           HD2      PHE  49   2.965   3.754  -2.261
  343    HE1  PHE  49           HE1      PHE  49   3.565   0.830   1.663
  344    HE2  PHE  49           HE2      PHE  49   3.125   4.729   0.047
  345    HZ   PHE  49           HZ       PHE  49   3.423   3.255   1.981
  346    H    LYS  50           H        LYS  50   3.049  -1.743  -3.888
  347    HA   LYS  50           HA       LYS  50   1.618  -3.489  -2.166
  348   1HB   LYS  50          1HB       LYS  50   4.236  -4.039  -3.580
  349   2HB   LYS  50          2HB       LYS  50   3.037  -5.201  -3.048
  350   1HG   LYS  50          1HG       LYS  50   1.369  -4.079  -4.629
  351   2HG   LYS  50          2HG       LYS  50   2.692  -3.110  -5.245
  352   1HD   LYS  50          1HD       LYS  50   2.807  -4.860  -6.760
  353   2HD   LYS  50          2HD       LYS  50   3.872  -5.507  -5.527
  354   1HE   LYS  50          1HE       LYS  50   2.234  -7.005  -4.701
  355   2HE   LYS  50          2HE       LYS  50   0.901  -6.065  -5.340
  356   1HZ   LYS  50          1HZ       LYS  50   1.979  -6.654  -7.582
  357   2HZ   LYS  50          2HZ       LYS  50   2.690  -7.869  -6.755
  358   3HZ   LYS  50          3HZ       LYS  50   1.062  -7.769  -6.820
  359    HA   PRO  51           HA       PRO  51   4.069  -3.311   1.382
  360   1HB   PRO  51          1HB       PRO  51   4.206  -5.899   2.251
  361   2HB   PRO  51          2HB       PRO  51   2.799  -4.882   2.487
  362   1HG   PRO  51          1HG       PRO  51   3.183  -7.096   0.567
  363   2HG   PRO  51          2HG       PRO  51   1.688  -6.363   1.111
  364   1HD   PRO  51          1HD       PRO  51   2.993  -5.933  -1.407
  365   2HD   PRO  51          2HD       PRO  51   1.561  -5.114  -0.815
  366    H    LEU  52           H        LEU  52   6.123  -2.776   1.753
  367    HA   LEU  52           HA       LEU  52   8.127  -3.247   0.088
  368   1HB   LEU  52          1HB       LEU  52   8.342  -1.796   1.969
  369   2HB   LEU  52          2HB       LEU  52   8.197  -3.127   3.100
  370    HG   LEU  52           HG       LEU  52  10.503  -2.724   1.174
  371   1HD1  LEU  52          1HD1      LEU  52  10.330  -1.000   2.977
  372   2HD1  LEU  52          2HD1      LEU  52  10.480  -2.310   4.173
  373   3HD1  LEU  52          3HD1      LEU  52  11.811  -1.987   3.037
  374   1HD2  LEU  52          1HD2      LEU  52   9.720  -4.942   2.961
  375   2HD2  LEU  52          2HD2      LEU  52  10.745  -4.935   1.506
  376   3HD2  LEU  52          3HD2      LEU  52  11.421  -4.429   3.073
  377    H    GLN  53           H        GLN  53   9.273  -4.929  -0.723
  378    HA   GLN  53           HA       GLN  53   8.543  -7.524   0.044
  379   1HB   GLN  53          1HB       GLN  53  10.703  -7.997  -1.481
  380   2HB   GLN  53          2HB       GLN  53   9.171  -7.503  -2.173
  381   1HG   GLN  53          1HG       GLN  53  11.236  -6.199  -2.971
  382   2HG   GLN  53          2HG       GLN  53   9.879  -5.230  -2.430
  383   2HE2  GLN  53          2HE2      GLN  53  10.424  -3.578  -1.249
  384   1HE2  GLN  53          1HE2      GLN  53  11.730  -3.471  -0.117
  385    H    GLU  54           H        GLU  54   9.164  -6.751   2.458
  386    HA   GLU  54           HA       GLU  54  11.615  -6.463   3.392
  387   1HB   GLU  54          1HB       GLU  54  10.806  -7.188   5.466
  388   2HB   GLU  54          2HB       GLU  54   9.320  -6.818   4.613
  389   1HG   GLU  54          1HG       GLU  54   9.302  -9.311   3.882
  390   2HG   GLU  54          2HG       GLU  54  10.559  -9.561   5.077
  391    H    ALA  55           H        ALA  55  13.545  -7.480   3.088
  392    HA   ALA  55           HA       ALA  55  13.686 -10.336   3.272
  393   1HB   ALA  55          1HB       ALA  55  13.906 -10.885   1.092
  394   2HB   ALA  55          2HB       ALA  55  14.949  -9.482   0.760
  395   3HB   ALA  55          3HB       ALA  55  13.179  -9.299   0.741
  396    H    GLU  56           H        GLU  56  15.273  -7.224   2.337
  397    HA   GLU  56           HA       GLU  56  17.279  -6.451   2.694
  398   1HB   GLU  56          1HB       GLU  56  16.524  -7.727   5.309
  399   2HB   GLU  56          2HB       GLU  56  18.165  -7.133   5.149
  400   1HG   GLU  56          1HG       GLU  56  17.017  -4.942   4.211
  401   2HG   GLU  56          2HG       GLU  56  15.569  -5.573   4.971
  402    H    CYS  57           H        CYS  57  18.126  -7.871   0.932
  403    HA   CYS  57           HA       CYS  57  20.476  -9.125   1.715
  404   1HB   CYS  57          1HB       CYS  57  18.734 -10.850   2.469
  405   2HB   CYS  57          2HB       CYS  57  18.459 -11.155   0.765
  406    H    THR  58           H        THR  58  20.489  -7.241   0.000
  407    HA   THR  58           HA       THR  58  20.223  -8.456  -2.673
  408    HB   THR  58           HB       THR  58  19.718  -6.112  -3.437
  409    HG1  THR  58           HG1      THR  58  20.339  -4.634  -1.911
  410   1HG2  THR  58          1HG2      THR  58  17.878  -7.744  -2.375
  411   2HG2  THR  58          2HG2      THR  58  17.901  -6.551  -1.054
  412   3HG2  THR  58          3HG2      THR  58  17.478  -6.041  -2.706
  413    H    PHE  59           H        PHE  59  21.948  -5.810  -0.879
  414    HA   PHE  59           HA       PHE  59  24.054  -5.706  -2.709
  415   1HB   PHE  59          1HB       PHE  59  23.673  -3.877  -1.163
  416   2HB   PHE  59          2HB       PHE  59  23.548  -4.959   0.210
  417    HD1  PHE  59           HD1      PHE  59  26.042  -3.862  -2.342
  418    HD2  PHE  59           HD2      PHE  59  25.349  -5.129   1.648
  419    HE1  PHE  59           HE1      PHE  59  28.453  -3.439  -1.789
  420    HE2  PHE  59           HE2      PHE  59  27.760  -4.706   2.201
  421    HZ   PHE  59           HZ       PHE  59  29.284  -3.866   0.476

  No H/Q in entry =         421
  Start of MODEL   75
    1    H    GLU   1           H        GLU   1   4.190 -12.730  17.962
    2    HA   GLU   1           HA       GLU   1   6.396 -14.100  18.383
    3   1HB   GLU   1          1HB       GLU   1   4.477 -15.885  17.063
    4   2HB   GLU   1          2HB       GLU   1   5.942 -15.715  16.117
    5   1HG   GLU   1          1HG       GLU   1   7.179 -16.910  17.616
    6   2HG   GLU   1          2HG       GLU   1   6.542 -16.016  18.982
    7    H    GLU   2           H        GLU   2   7.736 -14.418  16.053
    8    HA   GLU   2           HA       GLU   2   8.112 -11.932  15.122
    9   1HB   GLU   2          1HB       GLU   2   8.556 -14.640  13.829
   10   2HB   GLU   2          2HB       GLU   2   9.016 -13.169  12.995
   11   1HG   GLU   2          1HG       GLU   2  10.569 -12.541  14.731
   12   2HG   GLU   2          2HG       GLU   2   9.913 -13.718  15.852
   13    H    TYR   3           H        TYR   3   6.517 -10.569  14.389
   14    HA   TYR   3           HA       TYR   3   5.397 -10.975  11.859
   15   1HB   TYR   3          1HB       TYR   3   4.108 -12.613  13.477
   16   2HB   TYR   3          2HB       TYR   3   3.474 -11.175  14.252
   17    HD1  TYR   3           HD1      TYR   3   3.832 -12.534  10.763
   18    HD2  TYR   3           HD2      TYR   3   1.361 -10.493  13.598
   19    HE1  TYR   3           HE1      TYR   3   1.944 -12.442   9.063
   20    HE2  TYR   3           HE2      TYR   3  -0.518 -10.408  11.888
   21    HH   TYR   3           HH       TYR   3  -0.495 -10.434   9.187
   22    H    VAL   4           H        VAL   4   3.353  -9.323  11.652
   23    HA   VAL   4           HA       VAL   4   3.676  -7.062  13.421
   24    HB   VAL   4           HB       VAL   4   5.447  -7.045  11.511
   25   1HG1  VAL   4          1HG1      VAL   4   3.213  -7.305   9.918
   26   2HG1  VAL   4          2HG1      VAL   4   3.542  -5.558   9.838
   27   3HG1  VAL   4          3HG1      VAL   4   4.807  -6.723   9.380
   28   1HG2  VAL   4          1HG2      VAL   4   4.170  -5.074  13.030
   29   2HG2  VAL   4          2HG2      VAL   4   5.704  -4.916  12.141
   30   3HG2  VAL   4          3HG2      VAL   4   4.174  -4.432  11.369
   31    H    GLY   5           H        GLY   5   2.388  -5.264  11.430
   32   1HA   GLY   5          1HA       GLY   5  -0.263  -6.578  11.314
   33   2HA   GLY   5          2HA       GLY   5   0.336  -5.472  10.094
   34    H    LEU   6           H        LEU   6   1.587  -4.364  13.012
   35    HA   LEU   6           HA       LEU   6  -0.796  -2.747  13.569
   36   1HB   LEU   6          1HB       LEU   6   0.707  -2.271  15.693
   37   2HB   LEU   6          2HB       LEU   6  -0.381  -3.641  15.583
   38    HG   LEU   6           HG       LEU   6   2.513  -3.911  14.784
   39   1HD1  LEU   6          1HD1      LEU   6   1.649  -3.164  17.371
   40   2HD1  LEU   6          2HD1      LEU   6   2.082  -4.889  17.447
   41   3HD1  LEU   6          3HD1      LEU   6   3.267  -3.700  16.857
   42   1HD2  LEU   6          1HD2      LEU   6   0.278  -5.644  14.806
   43   2HD2  LEU   6          2HD2      LEU   6   1.977  -6.034  14.441
   44   3HD2  LEU   6          3HD2      LEU   6   1.366  -6.185  16.106
   45    H    SER   7           H        SER   7   2.544  -2.754  12.439
   46    HA   SER   7           HA       SER   7   2.483   0.157  12.483
   47   1HB   SER   7          1HB       SER   7   4.830   0.160  12.568
   48   2HB   SER   7          2HB       SER   7   4.421  -1.230  13.555
   49    HG   SER   7           HG       SER   7   4.656  -2.493  11.444
   50    H    ALA   8           H        ALA   8   4.214   0.839  10.459
   51    HA   ALA   8           HA       ALA   8   2.773  -0.141   8.113
   52   1HB   ALA   8          1HB       ALA   8   4.686   2.168   8.035
   53   2HB   ALA   8          2HB       ALA   8   3.134   1.944   7.193
   54   3HB   ALA   8          3HB       ALA   8   3.155   2.381   8.918
   55    H    ASN   9           H        ASN   9   4.979  -1.604   9.639
   56    HA   ASN   9           HA       ASN   9   7.391  -1.474   8.522
   57   1HB   ASN   9          1HB       ASN   9   6.455  -3.160  10.262
   58   2HB   ASN   9          2HB       ASN   9   5.931  -4.134   8.903
   59   2HD2  ASN   9          2HD2      ASN   9   7.297  -5.797   9.603
   60   1HD2  ASN   9          1HD2      ASN   9   9.005  -5.781   9.314
   61    H    GLN  10           H        GLN  10   4.464  -3.200   7.236
   62    HA   GLN  10           HA       GLN  10   5.788  -4.164   4.959
   63   1HB   GLN  10          1HB       GLN  10   3.386  -4.577   4.156
   64   2HB   GLN  10          2HB       GLN  10   3.843  -5.349   5.662
   65   1HG   GLN  10          1HG       GLN  10   2.851  -2.703   6.277
   66   2HG   GLN  10          2HG       GLN  10   1.705  -3.475   5.199
   67   2HE2  GLN  10          2HE2      GLN  10   2.910  -3.243   8.346
   68   1HE2  GLN  10          1HE2      GLN  10   2.048  -4.546   9.093
   69    H    CYS  11           H        CYS  11   4.136  -1.141   5.800
   70    HA   CYS  11           HA       CYS  11   4.440  -0.284   3.015
   71   1HB   CYS  11          1HB       CYS  11   2.781   1.288   4.920
   72   2HB   CYS  11          2HB       CYS  11   2.603   1.058   3.192
   73    H    ALA  12           H        ALA  12   6.753  -0.436   4.572
   74    HA   ALA  12           HA       ALA  12   7.148   2.320   5.507
   75   1HB   ALA  12          1HB       ALA  12   9.251   0.373   6.130
   76   2HB   ALA  12          2HB       ALA  12   7.658  -0.124   6.750
   77   3HB   ALA  12          3HB       ALA  12   8.342   1.452   7.214
   78    H    VAL  13           H        VAL  13   7.011   1.834   2.715
   79    HA   VAL  13           HA       VAL  13   9.708   1.472   1.773
   80    HB   VAL  13           HB       VAL  13   7.591   2.520  -0.008
   81   1HG1  VAL  13          1HG1      VAL  13   9.914   0.694  -0.098
   82   2HG1  VAL  13          2HG1      VAL  13   8.526   0.196  -1.095
   83   3HG1  VAL  13          3HG1      VAL  13   9.267   1.796  -1.337
   84   1HG2  VAL  13          1HG2      VAL  13   7.250   0.032   1.628
   85   2HG2  VAL  13          2HG2      VAL  13   6.036   1.202   1.057
   86   3HG2  VAL  13          3HG2      VAL  13   6.729   0.015  -0.074
   87    HA   PRO  14           HA       PRO  14  10.745   5.669   1.862
   88   1HB   PRO  14          1HB       PRO  14  12.814   5.715   0.077
   89   2HB   PRO  14          2HB       PRO  14  12.993   5.186   1.738
   90   1HG   PRO  14          1HG       PRO  14  12.892   3.556  -0.726
   91   2HG   PRO  14          2HG       PRO  14  13.485   3.110   0.861
   92   1HD   PRO  14          1HD       PRO  14  10.981   2.349  -0.313
   93   2HD   PRO  14          2HD       PRO  14  11.523   2.000   1.316
   94    H    ALA  15           H        ALA  15   9.112   4.287  -0.580
   95    HA   ALA  15           HA       ALA  15   7.655   5.337  -1.951
   96   1HB   ALA  15          1HB       ALA  15   9.226   7.903  -1.971
   97   2HB   ALA  15          2HB       ALA  15   7.468   7.647  -2.079
   98   3HB   ALA  15          3HB       ALA  15   8.299   7.471  -0.514
   99    H    LYS  16           H        LYS  16  11.097   5.118  -2.138
  100    HA   LYS  16           HA       LYS  16  11.066   5.509  -5.030
  101   1HB   LYS  16          1HB       LYS  16  13.518   5.438  -4.835
  102   2HB   LYS  16          2HB       LYS  16  12.807   6.688  -3.834
  103   1HG   LYS  16          1HG       LYS  16  14.514   5.518  -2.532
  104   2HG   LYS  16          2HG       LYS  16  12.942   5.159  -1.847
  105   1HD   LYS  16          1HD       LYS  16  12.940   2.944  -2.634
  106   2HD   LYS  16          2HD       LYS  16  14.018   3.302  -3.969
  107   1HE   LYS  16          1HE       LYS  16  15.600   3.908  -1.748
  108   2HE   LYS  16          2HE       LYS  16  14.667   2.538  -1.179
  109   1HZ   LYS  16          1HZ       LYS  16  15.991   2.490  -3.789
  110   2HZ   LYS  16          2HZ       LYS  16  16.780   2.064  -2.425
  111   3HZ   LYS  16          3HZ       LYS  16  15.461   1.227  -2.900
  112    H    ASP  17           H        ASP  17  10.077   3.148  -3.065
  113    HA   ASP  17           HA       ASP  17  11.138   1.123  -4.860
  114   1HB   ASP  17          1HB       ASP  17  12.362   0.724  -2.840
  115   2HB   ASP  17          2HB       ASP  17  10.973   1.069  -1.829
  116    H    ARG  18           H        ARG  18   8.570   2.808  -4.512
  117    HA   ARG  18           HA       ARG  18   6.638   1.031  -3.493
  118   1HB   ARG  18          1HB       ARG  18   6.184   3.412  -5.356
  119   2HB   ARG  18          2HB       ARG  18   5.012   2.702  -4.263
  120   1HG   ARG  18          1HG       ARG  18   7.611   4.057  -3.396
  121   2HG   ARG  18          2HG       ARG  18   6.029   4.809  -3.354
  122   1HD   ARG  18          1HD       ARG  18   5.317   2.750  -1.885
  123   2HD   ARG  18          2HD       ARG  18   7.036   2.469  -1.692
  124    HE   ARG  18           HE       ARG  18   7.068   4.226  -0.168
  125   1HH1  ARG  18          1HH1      ARG  18   4.415   4.762  -2.416
  126   2HH1  ARG  18          2HH1      ARG  18   3.870   6.205  -1.628
  127   1HH2  ARG  18          1HH2      ARG  18   6.349   6.130   0.872
  128   2HH2  ARG  18          2HH2      ARG  18   4.977   6.989   0.255
  129    H    VAL  19           H        VAL  19   5.906  -0.789  -4.542
  130    HA   VAL  19           HA       VAL  19   6.531  -1.229  -7.275
  131    HB   VAL  19           HB       VAL  19   4.600  -2.780  -5.553
  132   1HG1  VAL  19          1HG1      VAL  19   6.340  -3.447  -7.938
  133   2HG1  VAL  19          2HG1      VAL  19   5.633  -4.697  -6.886
  134   3HG1  VAL  19          3HG1      VAL  19   4.572  -3.582  -7.781
  135   1HG2  VAL  19          1HG2      VAL  19   7.360  -2.236  -4.999
  136   2HG2  VAL  19          2HG2      VAL  19   6.226  -3.285  -4.115
  137   3HG2  VAL  19          3HG2      VAL  19   7.195  -3.949  -5.452
  138    H    ASP  20           H        ASP  20   4.117   0.593  -5.691
  139    HA   ASP  20           HA       ASP  20   2.274   1.537  -6.330
  140   1HB   ASP  20          1HB       ASP  20   3.725   2.247  -8.265
  141   2HB   ASP  20          2HB       ASP  20   3.182   0.844  -9.164
  142    H    CYS  21           H        CYS  21   0.407   0.377  -5.804
  143    HA   CYS  21           HA       CYS  21  -0.039  -2.211  -6.884
  144   1HB   CYS  21          1HB       CYS  21  -0.862  -0.826  -4.631
  145   2HB   CYS  21          2HB       CYS  21  -2.328  -0.940  -5.585
  146    H    GLY  22           H        GLY  22  -0.456   0.977  -8.023
  147   1HA   GLY  22          1HA       GLY  22  -1.642   0.300 -10.418
  148   2HA   GLY  22          2HA       GLY  22  -1.613   1.904  -9.713
  149    H    TYR  23           H        TYR  23  -3.311   2.346  -7.932
  150    HA   TYR  23           HA       TYR  23  -5.836   1.192  -8.855
  151   1HB   TYR  23          1HB       TYR  23  -4.557   0.371  -6.546
  152   2HB   TYR  23          2HB       TYR  23  -5.361   1.796  -5.920
  153    HD1  TYR  23           HD1      TYR  23  -6.549  -0.725  -8.428
  154    HD2  TYR  23           HD2      TYR  23  -7.093   1.021  -4.560
  155    HE1  TYR  23           HE1      TYR  23  -8.688  -2.062  -8.118
  156    HE2  TYR  23           HE2      TYR  23  -9.231  -0.322  -4.263
  157    HH   TYR  23           HH       TYR  23 -10.228  -2.686  -6.700
  158    HA   PRO  24           HA       PRO  24  -7.026   5.351  -8.642
  159   1HB   PRO  24          1HB       PRO  24  -9.740   5.088  -8.828
  160   2HB   PRO  24          2HB       PRO  24  -8.674   5.028 -10.217
  161   1HG   PRO  24          1HG       PRO  24 -10.069   2.807  -8.855
  162   2HG   PRO  24          2HG       PRO  24  -9.361   2.840 -10.458
  163   1HD   PRO  24          1HD       PRO  24  -8.253   1.605  -8.118
  164   2HD   PRO  24          2HD       PRO  24  -7.494   1.739  -9.692
  165    H    HIS  25           H        HIS  25  -9.796   3.963  -7.012
  166    HA   HIS  25           HA       HIS  25  -9.683   5.917  -5.016
  167   1HB   HIS  25          1HB       HIS  25 -11.688   5.103  -4.422
  168   2HB   HIS  25          2HB       HIS  25 -11.568   4.207  -5.923
  169    HD1  HIS  25           HD1      HIS  25 -12.325   3.690  -2.474
  170    HD2  HIS  25           HD2      HIS  25 -10.198   1.511  -5.359
  171    HE1  HIS  25           HE1      HIS  25 -12.216   1.288  -1.619
  172    HE2  HIS  25           HE2      HIS  25 -10.946  -0.014  -3.459
  173    H    VAL  26           H        VAL  26  -7.778   6.056  -3.852
  174    HA   VAL  26           HA       VAL  26  -7.111   3.651  -2.305
  175    HB   VAL  26           HB       VAL  26  -4.736   4.416  -2.451
  176   1HG1  VAL  26          1HG1      VAL  26  -6.286   3.445  -4.842
  177   2HG1  VAL  26          2HG1      VAL  26  -4.529   3.709  -4.958
  178   3HG1  VAL  26          3HG1      VAL  26  -5.179   2.554  -3.770
  179   1HG2  VAL  26          1HG2      VAL  26  -5.172   6.755  -3.102
  180   2HG2  VAL  26          2HG2      VAL  26  -4.075   5.940  -4.243
  181   3HG2  VAL  26          3HG2      VAL  26  -5.782   6.197  -4.678
  182    H    THR  27           H        THR  27  -6.961   3.965  -0.118
  183    HA   THR  27           HA       THR  27  -6.638   6.701   0.851
  184    HB   THR  27           HB       THR  27  -8.685   6.680   2.069
  185    HG1  THR  27           HG1      THR  27  -8.482   3.823   1.446
  186   1HG2  THR  27          1HG2      THR  27  -9.253   5.028  -0.449
  187   2HG2  THR  27          2HG2      THR  27 -10.488   5.854   0.532
  188   3HG2  THR  27          3HG2      THR  27  -9.270   6.806  -0.351
  189    HA   PRO  28           HA       PRO  28  -4.394   4.830   3.997
  190   1HB   PRO  28          1HB       PRO  28  -5.004   6.240   6.257
  191   2HB   PRO  28          2HB       PRO  28  -3.907   6.831   5.026
  192   1HG   PRO  28          1HG       PRO  28  -6.690   7.658   5.579
  193   2HG   PRO  28          2HG       PRO  28  -5.456   8.502   4.665
  194   1HD   PRO  28          1HD       PRO  28  -7.679   7.035   3.600
  195   2HD   PRO  28          2HD       PRO  28  -6.381   7.780   2.688
  196    H    LYS  29           H        LYS  29  -6.733   3.399   3.345
  197    HA   LYS  29           HA       LYS  29  -6.746   1.609   5.462
  198   1HB   LYS  29          1HB       LYS  29  -8.031   3.686   6.431
  199   2HB   LYS  29          2HB       LYS  29  -9.363   3.085   5.464
  200   1HG   LYS  29          1HG       LYS  29  -8.110   0.866   6.879
  201   2HG   LYS  29          2HG       LYS  29  -8.501   2.140   8.017
  202   1HD   LYS  29          1HD       LYS  29 -10.790   2.066   6.437
  203   2HD   LYS  29          2HD       LYS  29 -10.315   0.380   6.458
  204   1HE   LYS  29          1HE       LYS  29 -10.508   0.213   8.818
  205   2HE   LYS  29          2HE       LYS  29 -10.350   1.941   9.056
  206   1HZ   LYS  29          1HZ       LYS  29 -12.526   1.926   7.637
  207   2HZ   LYS  29          2HZ       LYS  29 -12.675   0.422   8.255
  208   3HZ   LYS  29          3HZ       LYS  29 -12.567   1.708   9.255
  209    H    GLU  30           H        GLU  30  -8.885   3.137   2.964
  210    HA   GLU  30           HA       GLU  30 -10.091   0.728   2.265
  211   1HB   GLU  30          1HB       GLU  30 -10.532   3.368   1.687
  212   2HB   GLU  30          2HB       GLU  30  -9.837   2.839   0.168
  213   1HG   GLU  30          1HG       GLU  30 -12.195   2.478  -0.055
  214   2HG   GLU  30          2HG       GLU  30 -11.506   0.888   0.200
  215    H    CYS  31           H        CYS  31  -7.196   2.484   1.041
  216    HA   CYS  31           HA       CYS  31  -6.783   0.803  -1.165
  217   1HB   CYS  31          1HB       CYS  31  -5.674   2.783  -1.390
  218   2HB   CYS  31          2HB       CYS  31  -5.211   2.861   0.298
  219    H    ASN  32           H        ASN  32  -5.985   0.684   2.309
  220    HA   ASN  32           HA       ASN  32  -4.218  -1.541   1.904
  221   1HB   ASN  32          1HB       ASN  32  -3.423  -0.978   3.982
  222   2HB   ASN  32          2HB       ASN  32  -4.412   0.461   3.842
  223   2HD2  ASN  32          2HD2      ASN  32  -3.947  -2.571   5.366
  224   1HD2  ASN  32          1HD2      ASN  32  -5.288  -2.540   6.462
  225    H    ASN  33           H        ASN  33  -7.490  -1.153   1.770
  226    HA   ASN  33           HA       ASN  33  -8.109  -3.445   3.432
  227   1HB   ASN  33          1HB       ASN  33  -9.520  -1.326   3.562
  228   2HB   ASN  33          2HB       ASN  33  -9.992  -1.580   1.894
  229   2HD2  ASN  33          2HD2      ASN  33 -12.153  -1.714   2.542
  230   1HD2  ASN  33          1HD2      ASN  33 -12.823  -3.139   3.263
  231    H    ARG  34           H        ARG  34  -8.067  -2.165   0.079
  232    HA   ARG  34           HA       ARG  34  -9.518  -4.210  -1.090
  233   1HB   ARG  34          1HB       ARG  34  -8.688  -1.886  -2.033
  234   2HB   ARG  34          2HB       ARG  34  -7.243  -2.762  -2.500
  235   1HG   ARG  34          1HG       ARG  34 -10.074  -3.589  -3.299
  236   2HG   ARG  34          2HG       ARG  34  -9.007  -2.640  -4.315
  237   1HD   ARG  34          1HD       ARG  34  -7.345  -4.747  -3.686
  238   2HD   ARG  34          2HD       ARG  34  -8.900  -5.553  -3.652
  239    HE   ARG  34           HE       ARG  34  -9.071  -5.286  -5.975
  240   1HH1  ARG  34          1HH1      ARG  34  -6.561  -3.150  -4.742
  241   2HH1  ARG  34          2HH1      ARG  34  -6.005  -2.686  -6.315
  242   1HH2  ARG  34          1HH2      ARG  34  -8.338  -4.673  -8.051
  243   2HH2  ARG  34          2HH2      ARG  34  -7.023  -3.558  -8.210
  244    H    GLY  35           H        GLY  35  -6.160  -3.941   0.005
  245   1HA   GLY  35          1HA       GLY  35  -5.584  -6.599  -1.165
  246   2HA   GLY  35          2HA       GLY  35  -5.161  -6.152   0.476
  247    H    CYS  36           H        CYS  36  -3.760  -4.076   0.701
  248    HA   CYS  36           HA       CYS  36  -1.389  -4.467  -0.612
  249   1HB   CYS  36          1HB       CYS  36  -3.169  -3.228  -2.367
  250   2HB   CYS  36          2HB       CYS  36  -2.179  -1.914  -1.762
  251    H    CYS  37           H        CYS  37  -0.604  -1.594  -0.714
  252    HA   CYS  37           HA       CYS  37  -1.096  -0.886   2.086
  253   1HB   CYS  37          1HB       CYS  37   1.470  -1.151   0.596
  254   2HB   CYS  37          2HB       CYS  37   1.328   0.180   1.727
  255    H    PHE  38           H        PHE  38  -1.023   1.481   2.488
  256    HA   PHE  38           HA       PHE  38  -1.453   3.008   0.016
  257   1HB   PHE  38          1HB       PHE  38  -3.555   2.656   1.281
  258   2HB   PHE  38          2HB       PHE  38  -2.765   3.057   2.794
  259    HD1  PHE  38           HD1      PHE  38  -2.304   5.375   3.382
  260    HD2  PHE  38           HD2      PHE  38  -4.238   4.400  -0.268
  261    HE1  PHE  38           HE1      PHE  38  -3.015   7.768   3.119
  262    HE2  PHE  38           HE2      PHE  38  -4.948   6.793  -0.531
  263    HZ   PHE  38           HZ       PHE  38  -4.328   8.448   1.165
  264    H    ASP  39           H        ASP  39  -1.338   5.528   0.633
  265    HA   ASP  39           HA       ASP  39   0.303   6.268   2.733
  266   1HB   ASP  39          1HB       ASP  39   2.171   5.219   1.668
  267   2HB   ASP  39          2HB       ASP  39   1.662   5.732   0.072
  268    H    SER  40           H        SER  40   0.478   8.625   2.759
  269    HA   SER  40           HA       SER  40  -0.559   9.940   0.384
  270   1HB   SER  40          1HB       SER  40  -2.003  11.386   1.777
  271   2HB   SER  40          2HB       SER  40  -2.455   9.701   1.941
  272    HG   SER  40           HG       SER  40  -2.272  11.004   3.983
  273    H    ARG  41           H        ARG  41   2.087   9.495   2.066
  274    HA   ARG  41           HA       ARG  41   2.748  11.926   3.185
  275   1HB   ARG  41          1HB       ARG  41   3.947   9.482   3.050
  276   2HB   ARG  41          2HB       ARG  41   4.906  10.313   1.841
  277   1HG   ARG  41          1HG       ARG  41   4.468  11.861   4.353
  278   2HG   ARG  41          2HG       ARG  41   5.402  10.393   4.556
  279   1HD   ARG  41          1HD       ARG  41   6.409  11.629   2.186
  280   2HD   ARG  41          2HD       ARG  41   6.213  12.923   3.351
  281    HE   ARG  41           HE       ARG  41   7.954  12.012   4.624
  282   1HH1  ARG  41          1HH1      ARG  41   6.780   9.578   2.370
  283   2HH1  ARG  41          2HH1      ARG  41   8.039   8.446   2.738
  284   1HH2  ARG  41          1HH2      ARG  41   9.615  10.520   5.109
  285   2HH2  ARG  41          2HH2      ARG  41   9.662   8.986   4.306
  286    H    ILE  42           H        ILE  42   3.283  10.569  -0.133
  287    HA   ILE  42           HA       ILE  42   3.477  13.288  -1.131
  288    HB   ILE  42           HB       ILE  42   5.473  12.083  -2.558
  289   1HG1  ILE  42          1HG1      ILE  42   7.046  11.145  -0.889
  290   2HG1  ILE  42          2HG1      ILE  42   5.788  11.209   0.330
  291   1HG2  ILE  42          1HG2      ILE  42   5.449  14.381  -1.752
  292   2HG2  ILE  42          2HG2      ILE  42   5.726  13.819  -0.086
  293   3HG2  ILE  42          3HG2      ILE  42   6.980  13.579  -1.327
  294   1HD1  ILE  42          1HD1      ILE  42   4.922   9.871  -2.168
  295   2HD1  ILE  42          2HD1      ILE  42   6.269   9.053  -1.341
  296   3HD1  ILE  42          3HD1      ILE  42   4.741   9.348  -0.476
  297    HA   PRO  43           HA       PRO  43   1.011  11.340  -4.114
  298   1HB   PRO  43          1HB       PRO  43   0.697  13.441  -5.833
  299   2HB   PRO  43          2HB       PRO  43  -0.269  13.235  -4.386
  300   1HG   PRO  43          1HG       PRO  43   1.953  15.122  -4.878
  301   2HG   PRO  43          2HG       PRO  43   0.719  15.179  -3.635
  302   1HD   PRO  43          1HD       PRO  43   3.452  14.373  -3.304
  303   2HD   PRO  43          2HD       PRO  43   2.189  14.320  -2.090
  304    H    GLY  44           H        GLY  44   3.883  13.070  -5.094
  305   1HA   GLY  44          1HA       GLY  44   5.539  12.341  -6.466
  306   2HA   GLY  44          2HA       GLY  44   4.249  12.384  -7.651
  307    H    VAL  45           H        VAL  45   4.746  10.167  -4.822
  308    HA   VAL  45           HA       VAL  45   5.343   7.992  -6.639
  309    HB   VAL  45           HB       VAL  45   6.177   6.898  -4.823
  310   1HG1  VAL  45          1HG1      VAL  45   6.936   9.494  -5.059
  311   2HG1  VAL  45          2HG1      VAL  45   6.429   9.461  -3.353
  312   3HG1  VAL  45          3HG1      VAL  45   7.682   8.336  -3.931
  313   1HG2  VAL  45          1HG2      VAL  45   4.135   8.372  -3.137
  314   2HG2  VAL  45          2HG2      VAL  45   4.207   6.633  -3.509
  315   3HG2  VAL  45          3HG2      VAL  45   5.431   7.367  -2.446
  316    HA   PRO  46           HA       PRO  46   1.419   6.183  -6.477
  317   1HB   PRO  46          1HB       PRO  46   1.873   3.505  -6.175
  318   2HB   PRO  46          2HB       PRO  46   2.064   4.343  -7.702
  319   1HG   PRO  46          1HG       PRO  46   4.151   3.369  -5.848
  320   2HG   PRO  46          2HG       PRO  46   4.303   3.813  -7.537
  321   1HD   PRO  46          1HD       PRO  46   5.121   5.372  -5.272
  322   2HD   PRO  46          2HD       PRO  46   5.165   5.863  -6.954
  323    H    TRP  47           H        TRP  47   0.533   7.267  -4.693
  324    HA   TRP  47           HA       TRP  47   0.844   6.898  -2.130
  325   1HB   TRP  47          1HB       TRP  47  -1.613   7.204  -3.774
  326   2HB   TRP  47          2HB       TRP  47  -1.831   6.795  -2.083
  327    HD1  TRP  47           HD1      TRP  47   1.099   9.099  -3.010
  328    HE1  TRP  47           HE1      TRP  47   0.718  11.552  -2.115
  329    HE3  TRP  47           HE3      TRP  47  -3.714   8.376  -1.535
  330    HZ2  TRP  47           HZ2      TRP  47  -1.503  12.885  -0.917
  331    HZ3  TRP  47           HZ3      TRP  47  -4.917  10.305  -0.512
  332    HH2  TRP  47           HH2      TRP  47  -3.889  12.500  -0.195
  333    H    CYS  48           H        CYS  48  -1.193   4.636  -4.131
  334    HA   CYS  48           HA       CYS  48  -1.084   2.716  -1.972
  335   1HB   CYS  48          1HB       CYS  48  -3.139   3.325  -3.453
  336   2HB   CYS  48          2HB       CYS  48  -2.408   2.250  -4.628
  337    H    PHE  49           H        PHE  49   0.588   1.257  -1.887
  338    HA   PHE  49           HA       PHE  49   1.637   0.268  -4.422
  339   1HB   PHE  49          1HB       PHE  49   3.958   0.509  -3.249
  340   2HB   PHE  49          2HB       PHE  49   3.225   2.001  -3.803
  341    HD1  PHE  49           HD1      PHE  49   3.479  -0.144  -0.766
  342    HD2  PHE  49           HD2      PHE  49   2.983   3.772  -2.323
  343    HE1  PHE  49           HE1      PHE  49   3.643   0.799   1.554
  344    HE2  PHE  49           HE2      PHE  49   3.148   4.716  -0.003
  345    HZ   PHE  49           HZ       PHE  49   3.476   3.218   1.908
  346    H    LYS  50           H        LYS  50   3.114  -1.698  -4.027
  347    HA   LYS  50           HA       LYS  50   1.701  -3.498  -2.361
  348   1HB   LYS  50          1HB       LYS  50   4.309  -3.826  -3.875
  349   2HB   LYS  50          2HB       LYS  50   3.391  -5.125  -3.141
  350   1HG   LYS  50          1HG       LYS  50   1.384  -4.104  -4.585
  351   2HG   LYS  50          2HG       LYS  50   2.687  -3.426  -5.540
  352   1HD   LYS  50          1HD       LYS  50   3.497  -6.087  -5.148
  353   2HD   LYS  50          2HD       LYS  50   1.762  -6.223  -5.354
  354   1HE   LYS  50          1HE       LYS  50   2.611  -4.356  -7.331
  355   2HE   LYS  50          2HE       LYS  50   3.809  -5.634  -7.355
  356   1HZ   LYS  50          1HZ       LYS  50   1.429  -6.924  -7.165
  357   2HZ   LYS  50          2HZ       LYS  50   1.123  -5.708  -8.212
  358   3HZ   LYS  50          3HZ       LYS  50   2.332  -6.763  -8.516
  359    HA   PRO  51           HA       PRO  51   4.034  -3.308   1.265
  360   1HB   PRO  51          1HB       PRO  51   4.165  -5.901   2.118
  361   2HB   PRO  51          2HB       PRO  51   2.743  -4.897   2.319
  362   1HG   PRO  51          1HG       PRO  51   3.205  -7.094   0.396
  363   2HG   PRO  51          2HG       PRO  51   1.687  -6.376   0.899
  364   1HD   PRO  51          1HD       PRO  51   3.066  -5.918  -1.575
  365   2HD   PRO  51          2HD       PRO  51   1.610  -5.114  -1.022
  366    H    LEU  52           H        LEU  52   6.070  -2.733   1.664
  367    HA   LEU  52           HA       LEU  52   8.128  -3.169   0.079
  368   1HB   LEU  52          1HB       LEU  52   8.295  -1.759   1.984
  369   2HB   LEU  52          2HB       LEU  52   8.089  -3.102   3.091
  370    HG   LEU  52           HG       LEU  52  10.476  -2.749   1.257
  371   1HD1  LEU  52          1HD1      LEU  52  10.276  -0.953   2.971
  372   2HD1  LEU  52          2HD1      LEU  52  10.322  -2.207   4.233
  373   3HD1  LEU  52          3HD1      LEU  52  11.721  -1.974   3.159
  374   1HD2  LEU  52          1HD2      LEU  52   9.559  -4.927   2.979
  375   2HD2  LEU  52          2HD2      LEU  52  10.797  -4.911   1.700
  376   3HD2  LEU  52          3HD2      LEU  52  11.215  -4.390   3.350
  377    H    GLN  53           H        GLN  53   9.602  -4.747  -0.506
  378    HA   GLN  53           HA       GLN  53   8.770  -7.379  -0.181
  379   1HB   GLN  53          1HB       GLN  53  10.981  -5.931  -1.503
  380   2HB   GLN  53          2HB       GLN  53  11.442  -7.534  -0.967
  381   1HG   GLN  53          1HG       GLN  53  10.451  -8.317  -2.857
  382   2HG   GLN  53          2HG       GLN  53   8.917  -7.976  -2.080
  383   2HE2  GLN  53          2HE2      GLN  53   8.664  -5.341  -2.042
  384   1HE2  GLN  53          1HE2      GLN  53   8.662  -4.645  -3.629
  385    H    GLU  54           H        GLU  54   8.559  -7.589   2.180
  386    HA   GLU  54           HA       GLU  54  10.803  -7.267   3.824
  387   1HB   GLU  54          1HB       GLU  54   9.368  -8.591   5.480
  388   2HB   GLU  54          2HB       GLU  54   8.653  -7.119   4.852
  389   1HG   GLU  54          1HG       GLU  54   7.029  -8.246   3.663
  390   2HG   GLU  54          2HG       GLU  54   8.107  -9.555   3.221
  391    H    ALA  55           H        ALA  55  12.129  -8.561   2.020
  392    HA   ALA  55           HA       ALA  55  12.293 -11.321   3.008
  393   1HB   ALA  55          1HB       ALA  55  11.203 -11.024   0.692
  394   2HB   ALA  55          2HB       ALA  55  12.815 -10.519   0.131
  395   3HB   ALA  55          3HB       ALA  55  12.577 -12.150   0.803
  396    H    GLU  56           H        GLU  56  14.088  -9.070   0.783
  397    HA   GLU  56           HA       GLU  56  16.130  -8.540   2.524
  398   1HB   GLU  56          1HB       GLU  56  16.308 -11.219   1.432
  399   2HB   GLU  56          2HB       GLU  56  17.640 -10.266   0.811
  400   1HG   GLU  56          1HG       GLU  56  18.317  -9.624   3.088
  401   2HG   GLU  56          2HG       GLU  56  16.900 -10.395   3.771
  402    H    CYS  57           H        CYS  57  18.334  -8.126   0.974
  403    HA   CYS  57           HA       CYS  57  19.146  -6.743  -0.526
  404   1HB   CYS  57          1HB       CYS  57  17.195  -8.333  -2.138
  405   2HB   CYS  57          2HB       CYS  57  17.967  -6.950  -2.888
  406    H    THR  58           H        THR  58  18.666  -4.695   0.344
  407    HA   THR  58           HA       THR  58  16.024  -3.578  -0.243
  408    HB   THR  58           HB       THR  58  16.943  -1.801   1.414
  409    HG1  THR  58           HG1      THR  58  19.127  -2.178   1.614
  410   1HG2  THR  58          1HG2      THR  58  15.469  -3.739   2.169
  411   2HG2  THR  58          2HG2      THR  58  16.951  -4.687   2.439
  412   3HG2  THR  58          3HG2      THR  58  16.647  -3.218   3.398
  413    H    PHE  59           H        PHE  59  19.510  -2.576  -0.422
  414    HA   PHE  59           HA       PHE  59  18.721  -0.647  -2.450
  415   1HB   PHE  59          1HB       PHE  59  20.532  -0.732  -0.287
  416   2HB   PHE  59          2HB       PHE  59  21.584  -1.010  -1.660
  417    HD1  PHE  59           HD1      PHE  59  21.572   0.695  -3.547
  418    HD2  PHE  59           HD2      PHE  59  19.767   1.433   0.222
  419    HE1  PHE  59           HE1      PHE  59  21.629   3.163  -4.003
  420    HE2  PHE  59           HE2      PHE  59  19.825   3.901  -0.234
  421    HZ   PHE  59           HZ       PHE  59  20.755   4.736  -2.341

  No H/Q in entry =         421
  Start of MODEL   76
    1    H    GLU   1           H        GLU   1   7.341 -14.880  18.540
    2    HA   GLU   1           HA       GLU   1  10.107 -14.547  19.346
    3   1HB   GLU   1          1HB       GLU   1   8.694 -15.980  17.134
    4   2HB   GLU   1          2HB       GLU   1  10.252 -15.291  16.724
    5   1HG   GLU   1          1HG       GLU   1  11.145 -17.185  17.623
    6   2HG   GLU   1          2HG       GLU   1  10.799 -16.459  19.180
    7    H    GLU   2           H        GLU   2   7.882 -13.559  16.636
    8    HA   GLU   2           HA       GLU   2   8.431 -10.884  16.870
    9   1HB   GLU   2          1HB       GLU   2  10.688 -12.123  15.857
   10   2HB   GLU   2          2HB       GLU   2   9.861 -11.654  14.384
   11   1HG   GLU   2          1HG       GLU   2  10.453  -9.486  14.680
   12   2HG   GLU   2          2HG       GLU   2   9.702  -9.454  16.263
   13    H    TYR   3           H        TYR   3   6.714  -9.909  15.870
   14    HA   TYR   3           HA       TYR   3   5.797 -10.920  13.323
   15   1HB   TYR   3          1HB       TYR   3   4.723 -12.205  15.366
   16   2HB   TYR   3          2HB       TYR   3   3.959 -10.683  15.777
   17    HD1  TYR   3           HD1      TYR   3   4.036 -13.463  13.366
   18    HD2  TYR   3           HD2      TYR   3   2.124  -9.789  14.439
   19    HE1  TYR   3           HE1      TYR   3   2.117 -13.992  11.785
   20    HE2  TYR   3           HE2      TYR   3   0.211 -10.330  12.855
   21    HH   TYR   3           HH       TYR   3   0.356 -12.315  10.470
   22    H    VAL   4           H        VAL   4   5.123  -9.239  12.067
   23    HA   VAL   4           HA       VAL   4   3.720  -7.034  13.144
   24    HB   VAL   4           HB       VAL   4   6.270  -6.774  13.769
   25   1HG1  VAL   4          1HG1      VAL   4   7.128  -7.088  11.496
   26   2HG1  VAL   4          2HG1      VAL   4   6.180  -5.690  10.933
   27   3HG1  VAL   4          3HG1      VAL   4   7.506  -5.455  12.097
   28   1HG2  VAL   4          1HG2      VAL   4   4.282  -4.727  12.832
   29   2HG2  VAL   4          2HG2      VAL   4   4.887  -5.062  14.472
   30   3HG2  VAL   4          3HG2      VAL   4   5.919  -4.209  13.300
   31    H    GLY   5           H        GLY   5   2.859  -5.697  11.455
   32   1HA   GLY   5          1HA       GLY   5   1.976  -6.712   9.215
   33   2HA   GLY   5          2HA       GLY   5   3.627  -6.401   8.715
   34    H    LEU   6           H        LEU   6   0.481  -5.041   9.252
   35    HA   LEU   6           HA       LEU   6   1.034  -2.708   7.893
   36   1HB   LEU   6          1HB       LEU   6  -1.138  -1.930   8.840
   37   2HB   LEU   6          2HB       LEU   6  -1.178  -3.473   8.010
   38    HG   LEU   6           HG       LEU   6  -2.430  -3.085  10.305
   39   1HD1  LEU   6          1HD1      LEU   6  -1.595  -5.318   8.820
   40   2HD1  LEU   6          2HD1      LEU   6  -1.247  -5.709  10.522
   41   3HD1  LEU   6          3HD1      LEU   6  -2.893  -5.238  10.036
   42   1HD2  LEU   6          1HD2      LEU   6  -0.458  -2.376  11.559
   43   2HD2  LEU   6          2HD2      LEU   6  -1.145  -3.873  12.233
   44   3HD2  LEU   6          3HD2      LEU   6   0.326  -3.940  11.233
   45    H    SER   7           H        SER   7   0.075  -0.537   9.371
   46    HA   SER   7           HA       SER   7   0.475   0.735  11.185
   47   1HB   SER   7          1HB       SER   7   1.910   0.177  12.943
   48   2HB   SER   7          2HB       SER   7   1.484  -1.408  12.328
   49    HG   SER   7           HG       SER   7   3.528  -1.755  11.804
   50    H    ALA   8           H        ALA   8   3.115  -0.527   9.100
   51    HA   ALA   8           HA       ALA   8   3.636   1.652   7.672
   52   1HB   ALA   8          1HB       ALA   8   4.651   2.013  10.448
   53   2HB   ALA   8          2HB       ALA   8   5.782   2.441   9.142
   54   3HB   ALA   8          3HB       ALA   8   4.188   3.227   9.231
   55    H    ASN   9           H        ASN   9   4.818  -1.087   9.550
   56    HA   ASN   9           HA       ASN   9   7.296  -1.442   8.556
   57   1HB   ASN   9          1HB       ASN   9   5.247  -3.074   9.806
   58   2HB   ASN   9          2HB       ASN   9   5.980  -4.016   8.523
   59   2HD2  ASN   9          2HD2      ASN   9   6.735  -1.928  11.286
   60   1HD2  ASN   9          1HD2      ASN   9   8.200  -2.714  11.772
   61    H    GLN  10           H        GLN  10   4.550  -3.486   7.341
   62    HA   GLN  10           HA       GLN  10   5.654  -4.229   5.019
   63   1HB   GLN  10          1HB       GLN  10   3.228  -4.423   4.177
   64   2HB   GLN  10          2HB       GLN  10   3.615  -5.258   5.668
   65   1HG   GLN  10          1HG       GLN  10   2.670  -3.399   7.001
   66   2HG   GLN  10          2HG       GLN  10   2.375  -2.469   5.545
   67   2HE2  GLN  10          2HE2      GLN  10   1.343  -4.158   3.780
   68   1HE2  GLN  10          1HE2      GLN  10  -0.150  -4.853   4.316
   69    H    CYS  11           H        CYS  11   4.163  -1.093   5.802
   70    HA   CYS  11           HA       CYS  11   4.570  -0.275   3.024
   71   1HB   CYS  11          1HB       CYS  11   3.059   1.359   5.034
   72   2HB   CYS  11          2HB       CYS  11   2.941   1.360   3.285
   73    H    ALA  12           H        ALA  12   6.881  -0.647   4.551
   74    HA   ALA  12           HA       ALA  12   7.553   2.031   5.535
   75   1HB   ALA  12          1HB       ALA  12   8.765  -0.724   5.960
   76   2HB   ALA  12          2HB       ALA  12   9.547   0.780   6.501
   77   3HB   ALA  12          3HB       ALA  12   7.962   0.314   7.163
   78    H    VAL  13           H        VAL  13   7.217   1.797   2.754
   79    HA   VAL  13           HA       VAL  13   9.857   1.334   1.649
   80    HB   VAL  13           HB       VAL  13   7.710   2.448  -0.035
   81   1HG1  VAL  13          1HG1      VAL  13   9.957   0.560  -0.205
   82   2HG1  VAL  13          2HG1      VAL  13   8.507   0.031  -1.091
   83   3HG1  VAL  13          3HG1      VAL  13   9.243   1.611  -1.451
   84   1HG2  VAL  13          1HG2      VAL  13   7.308  -0.041   1.598
   85   2HG2  VAL  13          2HG2      VAL  13   6.139   1.219   1.133
   86   3HG2  VAL  13          3HG2      VAL  13   6.684   0.024  -0.068
   87    HA   PRO  14           HA       PRO  14  10.937   5.520   1.794
   88   1HB   PRO  14          1HB       PRO  14  12.948   5.577  -0.056
   89   2HB   PRO  14          2HB       PRO  14  13.174   5.017   1.589
   90   1HG   PRO  14          1HG       PRO  14  12.979   3.431  -0.898
   91   2HG   PRO  14          2HG       PRO  14  13.617   2.952   0.663
   92   1HD   PRO  14          1HD       PRO  14  11.070   2.235  -0.444
   93   2HD   PRO  14          2HD       PRO  14  11.660   1.853   1.161
   94    H    ALA  15           H        ALA  15   9.193   4.204  -0.598
   95    HA   ALA  15           HA       ALA  15   7.695   5.317  -1.881
   96   1HB   ALA  15          1HB       ALA  15   9.330   7.825  -2.048
   97   2HB   ALA  15          2HB       ALA  15   7.565   7.618  -1.953
   98   3HB   ALA  15          3HB       ALA  15   8.563   7.435  -0.490
   99    H    LYS  16           H        LYS  16  11.200   5.312  -2.265
  100    HA   LYS  16           HA       LYS  16  10.967   5.527  -5.151
  101   1HB   LYS  16          1HB       LYS  16  13.401   5.576  -5.127
  102   2HB   LYS  16          2HB       LYS  16  12.745   6.768  -4.023
  103   1HG   LYS  16          1HG       LYS  16  14.203   5.851  -2.515
  104   2HG   LYS  16          2HG       LYS  16  12.971   4.620  -2.326
  105   1HD   LYS  16          1HD       LYS  16  15.050   3.460  -2.729
  106   2HD   LYS  16          2HD       LYS  16  14.095   3.299  -4.189
  107   1HE   LYS  16          1HE       LYS  16  15.352   5.099  -5.288
  108   2HE   LYS  16          2HE       LYS  16  16.202   5.476  -3.802
  109   1HZ   LYS  16          1HZ       LYS  16  16.393   2.744  -4.676
  110   2HZ   LYS  16          2HZ       LYS  16  17.138   3.837  -5.634
  111   3HZ   LYS  16          3HZ       LYS  16  17.543   3.724  -4.056
  112    H    ASP  17           H        ASP  17  10.041   3.212  -3.179
  113    HA   ASP  17           HA       ASP  17  11.151   1.156  -4.907
  114   1HB   ASP  17          1HB       ASP  17  11.604   1.440  -2.089
  115   2HB   ASP  17          2HB       ASP  17  10.504   0.089  -2.279
  116    H    ARG  18           H        ARG  18   8.544   2.859  -4.495
  117    HA   ARG  18           HA       ARG  18   6.640   1.005  -3.562
  118   1HB   ARG  18          1HB       ARG  18   6.126   3.468  -5.295
  119   2HB   ARG  18          2HB       ARG  18   4.992   2.696  -4.205
  120   1HG   ARG  18          1HG       ARG  18   7.609   3.992  -3.307
  121   2HG   ARG  18          2HG       ARG  18   6.054   4.799  -3.270
  122   1HD   ARG  18          1HD       ARG  18   5.249   2.732  -1.860
  123   2HD   ARG  18          2HD       ARG  18   6.954   2.390  -1.647
  124    HE   ARG  18           HE       ARG  18   7.021   4.113  -0.085
  125   1HH1  ARG  18          1HH1      ARG  18   4.417   4.781  -2.356
  126   2HH1  ARG  18          2HH1      ARG  18   3.906   6.222  -1.543
  127   1HH2  ARG  18          1HH2      ARG  18   6.348   6.015   0.988
  128   2HH2  ARG  18          2HH2      ARG  18   5.012   6.929   0.372
  129    H    VAL  19           H        VAL  19   6.025  -0.799  -4.714
  130    HA   VAL  19           HA       VAL  19   6.594  -1.035  -7.479
  131    HB   VAL  19           HB       VAL  19   4.771  -2.771  -5.816
  132   1HG1  VAL  19          1HG1      VAL  19   6.204  -3.026  -8.414
  133   2HG1  VAL  19          2HG1      VAL  19   6.172  -4.466  -7.367
  134   3HG1  VAL  19          3HG1      VAL  19   4.647  -3.709  -7.887
  135   1HG2  VAL  19          1HG2      VAL  19   7.689  -2.316  -5.575
  136   2HG2  VAL  19          2HG2      VAL  19   6.519  -2.946  -4.390
  137   3HG2  VAL  19          3HG2      VAL  19   7.180  -4.020  -5.646
  138    H    ASP  20           H        ASP  20   4.146   0.585  -5.742
  139    HA   ASP  20           HA       ASP  20   2.274   1.522  -6.303
  140   1HB   ASP  20          1HB       ASP  20   3.611   2.334  -8.267
  141   2HB   ASP  20          2HB       ASP  20   3.114   0.923  -9.180
  142    H    CYS  21           H        CYS  21   0.361   0.420  -5.854
  143    HA   CYS  21           HA       CYS  21  -0.031  -2.204  -6.905
  144   1HB   CYS  21          1HB       CYS  21  -0.858  -0.825  -4.639
  145   2HB   CYS  21          2HB       CYS  21  -2.329  -0.991  -5.577
  146    H    GLY  22           H        GLY  22  -0.517   0.985  -8.019
  147   1HA   GLY  22          1HA       GLY  22  -1.731   0.291 -10.401
  148   2HA   GLY  22          2HA       GLY  22  -1.698   1.897  -9.699
  149    H    TYR  23           H        TYR  23  -3.396   2.432  -8.013
  150    HA   TYR  23           HA       TYR  23  -5.920   1.253  -8.863
  151   1HB   TYR  23          1HB       TYR  23  -4.608   0.398  -6.573
  152   2HB   TYR  23          2HB       TYR  23  -5.439   1.796  -5.921
  153    HD1  TYR  23           HD1      TYR  23  -6.417  -0.915  -8.338
  154    HD2  TYR  23           HD2      TYR  23  -7.318   1.181  -4.719
  155    HE1  TYR  23           HE1      TYR  23  -8.533  -2.296  -8.056
  156    HE2  TYR  23           HE2      TYR  23  -9.431  -0.207  -4.450
  157    HH   TYR  23           HH       TYR  23  -9.997  -3.003  -6.296
  158    HA   PRO  24           HA       PRO  24  -7.081   5.415  -8.553
  159   1HB   PRO  24          1HB       PRO  24  -9.797   5.172  -8.733
  160   2HB   PRO  24          2HB       PRO  24  -8.738   5.138 -10.129
  161   1HG   PRO  24          1HG       PRO  24 -10.139   2.893  -8.810
  162   2HG   PRO  24          2HG       PRO  24  -9.439   2.959 -10.415
  163   1HD   PRO  24          1HD       PRO  24  -8.327   1.665  -8.110
  164   2HD   PRO  24          2HD       PRO  24  -7.574   1.831  -9.683
  165    H    HIS  25           H        HIS  25  -9.827   3.964  -6.926
  166    HA   HIS  25           HA       HIS  25  -9.727   5.886  -4.899
  167   1HB   HIS  25          1HB       HIS  25 -11.725   5.049  -4.348
  168   2HB   HIS  25          2HB       HIS  25 -11.571   4.104  -5.816
  169    HD1  HIS  25           HD1      HIS  25 -12.199   3.726  -2.282
  170    HD2  HIS  25           HD2      HIS  25 -10.284   1.427  -5.221
  171    HE1  HIS  25           HE1      HIS  25 -12.078   1.349  -1.364
  172    HE2  HIS  25           HE2      HIS  25 -10.940  -0.028  -3.236
  173    H    VAL  26           H        VAL  26  -7.764   6.023  -3.810
  174    HA   VAL  26           HA       VAL  26  -7.067   3.620  -2.272
  175    HB   VAL  26           HB       VAL  26  -4.701   4.359  -2.473
  176   1HG1  VAL  26          1HG1      VAL  26  -6.323   3.445  -4.833
  177   2HG1  VAL  26          2HG1      VAL  26  -4.578   3.740  -5.024
  178   3HG1  VAL  26          3HG1      VAL  26  -5.153   2.545  -3.837
  179   1HG2  VAL  26          1HG2      VAL  26  -5.850   6.684  -3.582
  180   2HG2  VAL  26          2HG2      VAL  26  -4.121   6.295  -3.419
  181   3HG2  VAL  26          3HG2      VAL  26  -4.989   5.879  -4.916
  182    H    THR  27           H        THR  27  -7.085   3.936  -0.101
  183    HA   THR  27           HA       THR  27  -6.598   6.641   0.895
  184    HB   THR  27           HB       THR  27  -8.704   6.846   1.886
  185    HG1  THR  27           HG1      THR  27  -9.272   5.069   3.076
  186   1HG2  THR  27          1HG2      THR  27  -9.335   4.756  -0.265
  187   2HG2  THR  27          2HG2      THR  27 -10.506   5.866   0.486
  188   3HG2  THR  27          3HG2      THR  27  -9.215   6.507  -0.558
  189    HA   PRO  28           HA       PRO  28  -4.613   4.626   4.128
  190   1HB   PRO  28          1HB       PRO  28  -5.302   5.985   6.397
  191   2HB   PRO  28          2HB       PRO  28  -4.123   6.579   5.244
  192   1HG   PRO  28          1HG       PRO  28  -6.907   7.474   5.677
  193   2HG   PRO  28          2HG       PRO  28  -5.602   8.307   4.856
  194   1HD   PRO  28          1HD       PRO  28  -7.806   6.942   3.629
  195   2HD   PRO  28          2HD       PRO  28  -6.440   7.674   2.811
  196    H    LYS  29           H        LYS  29  -6.945   3.282   3.308
  197    HA   LYS  29           HA       LYS  29  -7.131   1.446   5.386
  198   1HB   LYS  29          1HB       LYS  29  -8.440   3.527   6.302
  199   2HB   LYS  29          2HB       LYS  29  -9.710   2.983   5.224
  200   1HG   LYS  29          1HG       LYS  29  -8.368   1.009   7.099
  201   2HG   LYS  29          2HG       LYS  29  -9.627   2.069   7.702
  202   1HD   LYS  29          1HD       LYS  29 -11.250   1.190   6.122
  203   2HD   LYS  29          2HD       LYS  29 -10.012   0.337   5.222
  204   1HE   LYS  29          1HE       LYS  29 -10.842  -1.417   6.513
  205   2HE   LYS  29          2HE       LYS  29  -9.552  -0.862   7.561
  206   1HZ   LYS  29          1HZ       LYS  29 -12.014   0.531   7.938
  207   2HZ   LYS  29          2HZ       LYS  29 -12.114  -1.064   8.274
  208   3HZ   LYS  29          3HZ       LYS  29 -11.014  -0.135   9.044
  209    H    GLU  30           H        GLU  30  -8.915   3.067   2.692
  210    HA   GLU  30           HA       GLU  30 -10.137   0.667   1.883
  211   1HB   GLU  30          1HB       GLU  30 -10.132   3.474   1.095
  212   2HB   GLU  30          2HB       GLU  30 -10.047   2.453  -0.327
  213   1HG   GLU  30          1HG       GLU  30 -12.383   2.707   0.104
  214   2HG   GLU  30          2HG       GLU  30 -11.996   1.097   0.675
  215    H    CYS  31           H        CYS  31  -7.137   2.425   1.004
  216    HA   CYS  31           HA       CYS  31  -6.584   0.782  -1.235
  217   1HB   CYS  31          1HB       CYS  31  -5.564   2.829  -1.398
  218   2HB   CYS  31          2HB       CYS  31  -5.136   2.890   0.300
  219    H    ASN  32           H        ASN  32  -5.978   0.727   2.277
  220    HA   ASN  32           HA       ASN  32  -4.121  -1.447   1.986
  221   1HB   ASN  32          1HB       ASN  32  -3.439  -0.873   4.110
  222   2HB   ASN  32          2HB       ASN  32  -4.371   0.588   3.848
  223   2HD2  ASN  32          2HD2      ASN  32  -3.774  -1.636   6.044
  224   1HD2  ASN  32          1HD2      ASN  32  -5.287  -1.775   6.876
  225    H    ASN  33           H        ASN  33  -7.421  -1.095   1.806
  226    HA   ASN  33           HA       ASN  33  -8.017  -3.405   3.449
  227   1HB   ASN  33          1HB       ASN  33  -9.599  -1.620   3.794
  228   2HB   ASN  33          2HB       ASN  33  -9.711  -1.272   2.080
  229   2HD2  ASN  33          2HD2      ASN  33 -12.017  -1.409   2.575
  230   1HD2  ASN  33          1HD2      ASN  33 -12.820  -2.942   2.498
  231    H    ARG  34           H        ARG  34  -8.122  -2.081   0.093
  232    HA   ARG  34           HA       ARG  34  -9.471  -4.156  -1.089
  233   1HB   ARG  34          1HB       ARG  34  -8.469  -1.783  -1.959
  234   2HB   ARG  34          2HB       ARG  34  -7.229  -2.837  -2.611
  235   1HG   ARG  34          1HG       ARG  34  -9.141  -2.411  -4.208
  236   2HG   ARG  34          2HG       ARG  34  -8.857  -4.111  -3.890
  237   1HD   ARG  34          1HD       ARG  34 -10.768  -2.820  -2.002
  238   2HD   ARG  34          2HD       ARG  34 -11.317  -2.857  -3.666
  239    HE   ARG  34           HE       ARG  34 -10.307  -5.437  -3.130
  240   1HH1  ARG  34          1HH1      ARG  34 -12.880  -3.367  -1.914
  241   2HH1  ARG  34          2HH1      ARG  34 -13.899  -4.689  -1.452
  242   1HH2  ARG  34          1HH2      ARG  34 -11.652  -7.181  -2.522
  243   2HH2  ARG  34          2HH2      ARG  34 -13.196  -6.873  -1.801
  244    H    GLY  35           H        GLY  35  -6.206  -3.945   0.177
  245   1HA   GLY  35          1HA       GLY  35  -5.587  -6.583  -1.013
  246   2HA   GLY  35          2HA       GLY  35  -5.140  -6.084   0.606
  247    H    CYS  36           H        CYS  36  -3.683  -4.089   0.793
  248    HA   CYS  36           HA       CYS  36  -1.365  -4.489  -0.594
  249   1HB   CYS  36          1HB       CYS  36  -3.148  -3.292  -2.331
  250   2HB   CYS  36          2HB       CYS  36  -2.236  -1.928  -1.716
  251    H    CYS  37           H        CYS  37  -0.599  -1.592  -0.732
  252    HA   CYS  37           HA       CYS  37  -0.970  -0.905   2.093
  253   1HB   CYS  37          1HB       CYS  37   1.514  -1.259   0.532
  254   2HB   CYS  37          2HB       CYS  37   1.450   0.194   1.509
  255    H    PHE  38           H        PHE  38  -1.022   1.427   2.511
  256    HA   PHE  38           HA       PHE  38  -1.516   2.979   0.067
  257   1HB   PHE  38          1HB       PHE  38  -3.569   2.576   1.399
  258   2HB   PHE  38          2HB       PHE  38  -2.737   2.984   2.887
  259    HD1  PHE  38           HD1      PHE  38  -4.062   4.389  -0.263
  260    HD2  PHE  38           HD2      PHE  38  -2.575   5.233   3.621
  261    HE1  PHE  38           HE1      PHE  38  -4.827   6.769  -0.487
  262    HE2  PHE  38           HE2      PHE  38  -3.339   7.614   3.396
  263    HZ   PHE  38           HZ       PHE  38  -4.456   8.353   1.345
  264    H    ASP  39           H        ASP  39  -1.403   5.489   0.669
  265    HA   ASP  39           HA       ASP  39   0.256   6.268   2.734
  266   1HB   ASP  39          1HB       ASP  39   2.122   5.212   1.667
  267   2HB   ASP  39          2HB       ASP  39   1.600   5.707   0.069
  268    H    SER  40           H        SER  40   0.452   8.632   2.706
  269    HA   SER  40           HA       SER  40  -0.579   9.914   0.319
  270   1HB   SER  40          1HB       SER  40  -2.108  11.324   1.638
  271   2HB   SER  40          2HB       SER  40  -2.514   9.631   1.834
  272    HG   SER  40           HG       SER  40  -2.000   9.706   3.928
  273    H    ARG  41           H        ARG  41   2.028   9.520   2.052
  274    HA   ARG  41           HA       ARG  41   2.602  11.974   3.191
  275   1HB   ARG  41          1HB       ARG  41   3.835   9.576   3.205
  276   2HB   ARG  41          2HB       ARG  41   4.794  10.312   1.937
  277   1HG   ARG  41          1HG       ARG  41   5.546  12.088   3.382
  278   2HG   ARG  41          2HG       ARG  41   4.322  11.735   4.586
  279   1HD   ARG  41          1HD       ARG  41   5.756   9.302   4.273
  280   2HD   ARG  41          2HD       ARG  41   6.984  10.552   4.259
  281    HE   ARG  41           HE       ARG  41   5.236  11.204   6.379
  282   1HH1  ARG  41          1HH1      ARG  41   7.393   8.559   5.523
  283   2HH1  ARG  41          2HH1      ARG  41   7.727   8.130   7.168
  284   1HH2  ARG  41          1HH2      ARG  41   5.675  10.638   8.549
  285   2HH2  ARG  41          2HH2      ARG  41   6.743   9.321   8.900
  286    H    ILE  42           H        ILE  42   3.251  10.591  -0.093
  287    HA   ILE  42           HA       ILE  42   3.487  13.305  -1.101
  288    HB   ILE  42           HB       ILE  42   5.496  12.071  -2.481
  289   1HG1  ILE  42          1HG1      ILE  42   7.022  11.124  -0.766
  290   2HG1  ILE  42          2HG1      ILE  42   5.726  11.191   0.412
  291   1HG2  ILE  42          1HG2      ILE  42   5.386  14.387  -1.573
  292   2HG2  ILE  42          2HG2      ILE  42   5.849  13.742   0.020
  293   3HG2  ILE  42          3HG2      ILE  42   6.968  13.599  -1.357
  294   1HD1  ILE  42          1HD1      ILE  42   4.939   9.867  -2.122
  295   2HD1  ILE  42          2HD1      ILE  42   6.246   9.037  -1.245
  296   3HD1  ILE  42          3HD1      ILE  42   4.689   9.343  -0.439
  297    HA   PRO  43           HA       PRO  43   1.056  11.374  -4.124
  298   1HB   PRO  43          1HB       PRO  43   0.799  13.474  -5.855
  299   2HB   PRO  43          2HB       PRO  43  -0.197  13.282  -4.426
  300   1HG   PRO  43          1HG       PRO  43   2.054  15.144  -4.880
  301   2HG   PRO  43          2HG       PRO  43   0.796  15.218  -3.661
  302   1HD   PRO  43          1HD       PRO  43   3.513  14.383  -3.275
  303   2HD   PRO  43          2HD       PRO  43   2.227  14.348  -2.086
  304    H    GLY  44           H        GLY  44   3.964  13.073  -5.054
  305   1HA   GLY  44          1HA       GLY  44   5.640  12.319  -6.390
  306   2HA   GLY  44          2HA       GLY  44   4.374  12.376  -7.601
  307    H    VAL  45           H        VAL  45   4.825  10.159  -4.760
  308    HA   VAL  45           HA       VAL  45   5.417   7.975  -6.563
  309    HB   VAL  45           HB       VAL  45   6.200   6.872  -4.728
  310   1HG1  VAL  45          1HG1      VAL  45   6.997   9.460  -4.960
  311   2HG1  VAL  45          2HG1      VAL  45   6.470   9.432  -3.260
  312   3HG1  VAL  45          3HG1      VAL  45   7.714   8.291  -3.824
  313   1HG2  VAL  45          1HG2      VAL  45   4.142   8.378  -3.093
  314   2HG2  VAL  45          2HG2      VAL  45   4.216   6.634  -3.440
  315   3HG2  VAL  45          3HG2      VAL  45   5.421   7.379  -2.363
  316    HA   PRO  46           HA       PRO  46   1.472   6.209  -6.474
  317   1HB   PRO  46          1HB       PRO  46   1.893   3.526  -6.167
  318   2HB   PRO  46          2HB       PRO  46   2.120   4.363  -7.689
  319   1HG   PRO  46          1HG       PRO  46   4.163   3.366  -5.800
  320   2HG   PRO  46          2HG       PRO  46   4.350   3.810  -7.485
  321   1HD   PRO  46          1HD       PRO  46   5.143   5.358  -5.204
  322   2HD   PRO  46          2HD       PRO  46   5.223   5.850  -6.884
  323    H    TRP  47           H        TRP  47   0.608   7.324  -4.685
  324    HA   TRP  47           HA       TRP  47   0.852   6.952  -2.128
  325   1HB   TRP  47          1HB       TRP  47  -1.581   7.249  -3.810
  326   2HB   TRP  47          2HB       TRP  47  -1.822   6.854  -2.120
  327    HD1  TRP  47           HD1      TRP  47   1.096   9.170  -3.095
  328    HE1  TRP  47           HE1      TRP  47   0.714  11.623  -2.199
  329    HE3  TRP  47           HE3      TRP  47  -3.676   8.411  -1.512
  330    HZ2  TRP  47           HZ2      TRP  47  -1.491  12.940  -0.956
  331    HZ3  TRP  47           HZ3      TRP  47  -4.873  10.332  -0.468
  332    HH2  TRP  47           HH2      TRP  47  -3.857  12.536  -0.179
  333    H    CYS  48           H        CYS  48  -1.179   4.689  -4.136
  334    HA   CYS  48           HA       CYS  48  -1.077   2.774  -1.971
  335   1HB   CYS  48          1HB       CYS  48  -3.145   3.375  -3.403
  336   2HB   CYS  48          2HB       CYS  48  -2.421   2.356  -4.631
  337    H    PHE  49           H        PHE  49   0.554   1.269  -1.894
  338    HA   PHE  49           HA       PHE  49   1.607   0.291  -4.430
  339   1HB   PHE  49          1HB       PHE  49   3.928   0.501  -3.247
  340   2HB   PHE  49          2HB       PHE  49   3.213   2.001  -3.804
  341    HD1  PHE  49           HD1      PHE  49   3.476  -0.143  -0.771
  342    HD2  PHE  49           HD2      PHE  49   2.941   3.772  -2.320
  343    HE1  PHE  49           HE1      PHE  49   3.643   0.798   1.550
  344    HE2  PHE  49           HE2      PHE  49   3.108   4.713   0.001
  345    HZ   PHE  49           HZ       PHE  49   3.457   3.215   1.908
  346    H    LYS  50           H        LYS  50   3.105  -1.676  -4.010
  347    HA   LYS  50           HA       LYS  50   1.656  -3.479  -2.371
  348   1HB   LYS  50          1HB       LYS  50   4.228  -3.753  -3.950
  349   2HB   LYS  50          2HB       LYS  50   3.455  -5.080  -3.107
  350   1HG   LYS  50          1HG       LYS  50   1.315  -4.037  -4.513
  351   2HG   LYS  50          2HG       LYS  50   2.634  -3.693  -5.614
  352   1HD   LYS  50          1HD       LYS  50   3.116  -6.340  -4.714
  353   2HD   LYS  50          2HD       LYS  50   1.384  -6.265  -4.975
  354   1HE   LYS  50          1HE       LYS  50   2.444  -4.919  -7.210
  355   2HE   LYS  50          2HE       LYS  50   3.573  -6.234  -6.951
  356   1HZ   LYS  50          1HZ       LYS  50   1.436  -7.611  -6.723
  357   2HZ   LYS  50          2HZ       LYS  50   0.724  -6.378  -7.524
  358   3HZ   LYS  50          3HZ       LYS  50   1.957  -7.196  -8.214
  359    HA   PRO  51           HA       PRO  51   3.951  -3.295   1.279
  360   1HB   PRO  51          1HB       PRO  51   4.022  -5.885   2.149
  361   2HB   PRO  51          2HB       PRO  51   2.618  -4.852   2.329
  362   1HG   PRO  51          1HG       PRO  51   3.057  -7.069   0.424
  363   2HG   PRO  51          2HG       PRO  51   1.548  -6.319   0.907
  364   1HD   PRO  51          1HD       PRO  51   2.961  -5.903  -1.555
  365   2HD   PRO  51          2HD       PRO  51   1.515  -5.068  -1.022
  366    H    LEU  52           H        LEU  52   5.992  -2.752   1.688
  367    HA   LEU  52           HA       LEU  52   8.053  -3.272   0.114
  368   1HB   LEU  52          1HB       LEU  52   8.246  -1.788   1.952
  369   2HB   LEU  52          2HB       LEU  52   7.983  -3.070   3.118
  370    HG   LEU  52           HG       LEU  52  10.408  -2.868   1.312
  371   1HD1  LEU  52          1HD1      LEU  52   9.934  -1.912   4.132
  372   2HD1  LEU  52          2HD1      LEU  52  11.562  -2.300   3.527
  373   3HD1  LEU  52          3HD1      LEU  52  10.602  -1.024   2.741
  374   1HD2  LEU  52          1HD2      LEU  52   9.407  -4.935   3.131
  375   2HD2  LEU  52          2HD2      LEU  52  10.638  -5.024   1.848
  376   3HD2  LEU  52          3HD2      LEU  52  11.082  -4.438   3.469
  377    H    GLN  53           H        GLN  53   9.365  -4.935  -0.517
  378    HA   GLN  53           HA       GLN  53   8.525  -7.524   0.041
  379   1HB   GLN  53          1HB       GLN  53  10.742  -8.134  -1.124
  380   2HB   GLN  53          2HB       GLN  53   9.604  -7.169  -2.043
  381   1HG   GLN  53          1HG       GLN  53  11.425  -5.508  -0.413
  382   2HG   GLN  53          2HG       GLN  53  12.289  -6.526  -1.548
  383   2HE2  GLN  53          2HE2      GLN  53  10.803  -3.623  -1.118
  384   1HE2  GLN  53          1HE2      GLN  53  10.475  -3.165  -2.756
  385    H    GLU  54           H        GLU  54   8.505  -7.452   2.455
  386    HA   GLU  54           HA       GLU  54  10.604  -6.976   4.050
  387   1HB   GLU  54          1HB       GLU  54   9.443  -8.152   5.718
  388   2HB   GLU  54          2HB       GLU  54   8.168  -7.753   4.584
  389   1HG   GLU  54          1HG       GLU  54   8.549 -10.042   3.495
  390   2HG   GLU  54          2HG       GLU  54   9.629 -10.421   4.822
  391    H    ALA  55           H        ALA  55  12.669  -7.736   4.163
  392    HA   ALA  55           HA       ALA  55  13.177 -10.542   3.975
  393   1HB   ALA  55          1HB       ALA  55  14.040 -10.707   1.885
  394   2HB   ALA  55          2HB       ALA  55  13.095  -9.237   1.548
  395   3HB   ALA  55          3HB       ALA  55  14.817  -9.108   1.978
  396    H    GLU  56           H        GLU  56  15.744 -10.824   4.052
  397    HA   GLU  56           HA       GLU  56  16.528  -9.381   6.321
  398   1HB   GLU  56          1HB       GLU  56  17.400 -11.698   4.848
  399   2HB   GLU  56          2HB       GLU  56  18.792 -10.659   5.081
  400   1HG   GLU  56          1HG       GLU  56  17.634 -10.522   7.581
  401   2HG   GLU  56          2HG       GLU  56  17.174 -12.144   7.102
  402    H    CYS  57           H        CYS  57  18.036  -7.692   6.584
  403    HA   CYS  57           HA       CYS  57  18.499  -6.171   4.175
  404   1HB   CYS  57          1HB       CYS  57  17.734  -5.379   6.604
  405   2HB   CYS  57          2HB       CYS  57  19.466  -5.257   6.843
  406    H    THR  58           H        THR  58  20.029  -7.852   3.293
  407    HA   THR  58           HA       THR  58  22.436  -8.426   4.691
  408    HB   THR  58           HB       THR  58  21.320  -9.876   2.939
  409    HG1  THR  58           HG1      THR  58  23.956  -8.793   2.238
  410   1HG2  THR  58          1HG2      THR  58  21.921  -7.447   1.289
  411   2HG2  THR  58          2HG2      THR  58  22.378  -9.004   0.558
  412   3HG2  THR  58          3HG2      THR  58  20.689  -8.708   1.037
  413    H    PHE  59           H        PHE  59  24.628  -7.842   3.997
  414    HA   PHE  59           HA       PHE  59  25.180  -5.248   4.169
  415   1HB   PHE  59          1HB       PHE  59  26.679  -7.393   3.936
  416   2HB   PHE  59          2HB       PHE  59  26.580  -7.149   2.203
  417    HD1  PHE  59           HD1      PHE  59  27.224  -4.936   5.154
  418    HD2  PHE  59           HD2      PHE  59  28.493  -6.241   1.320
  419    HE1  PHE  59           HE1      PHE  59  29.176  -3.362   5.264
  420    HE2  PHE  59           HE2      PHE  59  30.445  -4.667   1.431
  421    HZ   PHE  59           HZ       PHE  59  30.763  -3.246   3.401

  No H/Q in entry =         421
  Start of MODEL   77
    1    H    GLU   1           H        GLU   1  11.883 -13.819  20.294
    2    HA   GLU   1           HA       GLU   1   9.742 -14.044  21.029
    3   1HB   GLU   1          1HB       GLU   1  11.020 -11.619  22.344
    4   2HB   GLU   1          2HB       GLU   1   9.518 -12.298  22.937
    5   1HG   GLU   1          1HG       GLU   1  11.014 -13.521  24.227
    6   2HG   GLU   1          2HG       GLU   1  10.886 -14.597  22.850
    7    H    GLU   2           H        GLU   2  10.361 -10.593  20.094
    8    HA   GLU   2           HA       GLU   2   7.543 -10.157  19.846
    9   1HB   GLU   2          1HB       GLU   2  10.019  -8.445  19.523
   10   2HB   GLU   2          2HB       GLU   2   8.477  -7.865  18.926
   11   1HG   GLU   2          1HG       GLU   2   7.814  -7.309  21.021
   12   2HG   GLU   2          2HG       GLU   2   8.081  -8.947  21.585
   13    H    TYR   3           H        TYR   3   6.643  -9.171  17.760
   14    HA   TYR   3           HA       TYR   3   8.004  -9.532  15.329
   15   1HB   TYR   3          1HB       TYR   3   7.452 -11.945  16.287
   16   2HB   TYR   3          2HB       TYR   3   5.775 -11.547  15.971
   17    HD1  TYR   3           HD1      TYR   3   5.291 -10.680  13.488
   18    HD2  TYR   3           HD2      TYR   3   8.653 -13.064  14.640
   19    HE1  TYR   3           HE1      TYR   3   5.562 -11.472  11.087
   20    HE2  TYR   3           HE2      TYR   3   8.912 -13.847  12.235
   21    HH   TYR   3           HH       TYR   3   6.572 -12.875   9.761
   22    H    VAL   4           H        VAL   4   7.007  -8.246  13.838
   23    HA   VAL   4           HA       VAL   4   4.235  -8.085  13.543
   24    HB   VAL   4           HB       VAL   4   4.362  -6.954  15.718
   25   1HG1  VAL   4          1HG1      VAL   4   6.636  -6.033  15.526
   26   2HG1  VAL   4          2HG1      VAL   4   6.071  -4.897  14.278
   27   3HG1  VAL   4          3HG1      VAL   4   5.452  -4.771  15.942
   28   1HG2  VAL   4          1HG2      VAL   4   3.514  -5.423  13.266
   29   2HG2  VAL   4          2HG2      VAL   4   2.516  -6.248  14.488
   30   3HG2  VAL   4          3HG2      VAL   4   3.322  -4.712  14.887
   31    H    GLY   5           H        GLY   5   3.874  -7.382  11.482
   32   1HA   GLY   5          1HA       GLY   5   5.688  -7.079   9.577
   33   2HA   GLY   5          2HA       GLY   5   5.724  -5.474  10.280
   34    H    LEU   6           H        LEU   6   2.725  -5.928  11.088
   35    HA   LEU   6           HA       LEU   6   1.550  -5.716   8.422
   36   1HB   LEU   6          1HB       LEU   6  -0.477  -6.321   9.359
   37   2HB   LEU   6          2HB       LEU   6   0.699  -7.337  10.168
   38    HG   LEU   6           HG       LEU   6  -0.339  -4.774  11.391
   39   1HD1  LEU   6          1HD1      LEU   6  -1.495  -7.563  11.552
   40   2HD1  LEU   6          2HD1      LEU   6  -1.830  -6.293  12.755
   41   3HD1  LEU   6          3HD1      LEU   6  -2.303  -6.056  11.055
   42   1HD2  LEU   6          1HD2      LEU   6   1.422  -7.001  12.277
   43   2HD2  LEU   6          2HD2      LEU   6   1.470  -5.265  12.668
   44   3HD2  LEU   6          3HD2      LEU   6   0.290  -6.327  13.474
   45    H    SER   7           H        SER   7   1.014  -3.772   7.579
   46    HA   SER   7           HA       SER   7   0.627  -1.645   7.401
   47   1HB   SER   7          1HB       SER   7  -0.884  -0.626   8.853
   48   2HB   SER   7          2HB       SER   7  -1.144  -2.316   9.239
   49    HG   SER   7           HG       SER   7   0.543  -1.965  10.982
   50    H    ALA   8           H        ALA   8   1.981   0.162   7.377
   51    HA   ALA   8           HA       ALA   8   3.523   1.625   8.081
   52   1HB   ALA   8          1HB       ALA   8   4.011   1.879  10.310
   53   2HB   ALA   8          2HB       ALA   8   4.244   0.133  10.570
   54   3HB   ALA   8          3HB       ALA   8   2.599   0.808  10.478
   55    H    ASN   9           H        ASN   9   4.715  -1.461   9.577
   56    HA   ASN   9           HA       ASN   9   7.248  -1.258   8.710
   57   1HB   ASN   9          1HB       ASN   9   5.478  -3.395   9.668
   58   2HB   ASN   9          2HB       ASN   9   6.613  -4.034   8.496
   59   2HD2  ASN   9          2HD2      ASN   9   8.541  -4.590   9.166
   60   1HD2  ASN   9          1HD2      ASN   9   9.323  -4.097  10.631
   61    H    GLN  10           H        GLN  10   4.969  -3.680   7.229
   62    HA   GLN  10           HA       GLN  10   6.333  -4.111   4.960
   63   1HB   GLN  10          1HB       GLN  10   4.431  -5.220   4.195
   64   2HB   GLN  10          2HB       GLN  10   4.094  -5.132   5.912
   65   1HG   GLN  10          1HG       GLN  10   2.736  -3.060   5.536
   66   2HG   GLN  10          2HG       GLN  10   3.070  -3.155   3.818
   67   2HE2  GLN  10          2HE2      GLN  10   2.131  -5.444   6.388
   68   1HE2  GLN  10          1HE2      GLN  10   0.785  -6.158   5.563
   69    H    CYS  11           H        CYS  11   4.256  -1.331   5.765
   70    HA   CYS  11           HA       CYS  11   4.577  -0.333   3.045
   71   1HB   CYS  11          1HB       CYS  11   2.978   1.180   5.034
   72   2HB   CYS  11          2HB       CYS  11   2.705   0.922   3.322
   73    H    ALA  12           H        ALA  12   6.928  -0.510   4.632
   74    HA   ALA  12           HA       ALA  12   7.320   2.260   5.525
   75   1HB   ALA  12          1HB       ALA  12   9.032  -0.178   6.130
   76   2HB   ALA  12          2HB       ALA  12   7.671   0.341   7.153
   77   3HB   ALA  12          3HB       ALA  12   9.075   1.412   6.930
   78    H    VAL  13           H        VAL  13   7.181   1.745   2.741
   79    HA   VAL  13           HA       VAL  13   9.869   1.358   1.791
   80    HB   VAL  13           HB       VAL  13   7.760   2.433   0.017
   81   1HG1  VAL  13          1HG1      VAL  13  10.053   0.568  -0.079
   82   2HG1  VAL  13          2HG1      VAL  13   8.655   0.098  -1.074
   83   3HG1  VAL  13          3HG1      VAL  13   9.425   1.685  -1.314
   84   1HG2  VAL  13          1HG2      VAL  13   7.416  -0.096   1.609
   85   2HG2  VAL  13          2HG2      VAL  13   6.214   1.138   1.160
   86   3HG2  VAL  13          3HG2      VAL  13   6.811  -0.009  -0.063
   87    HA   PRO  14           HA       PRO  14  10.974   5.537   1.838
   88   1HB   PRO  14          1HB       PRO  14  12.978   5.566  -0.019
   89   2HB   PRO  14          2HB       PRO  14  13.208   5.021   1.631
   90   1HG   PRO  14          1HG       PRO  14  12.995   3.412  -0.840
   91   2HG   PRO  14          2HG       PRO  14  13.636   2.944   0.722
   92   1HD   PRO  14          1HD       PRO  14  11.081   2.230  -0.367
   93   2HD   PRO  14          2HD       PRO  14  11.676   1.861   1.239
   94    H    ALA  15           H        ALA  15   9.158   4.237  -0.476
   95    HA   ALA  15           HA       ALA  15   7.693   5.310  -1.805
   96   1HB   ALA  15          1HB       ALA  15   8.718   7.463  -0.417
   97   2HB   ALA  15          2HB       ALA  15   7.441   7.557  -1.653
   98   3HB   ALA  15          3HB       ALA  15   9.136   7.869  -2.099
   99    H    LYS  16           H        LYS  16  11.171   5.227  -2.150
  100    HA   LYS  16           HA       LYS  16  10.979   5.538  -5.038
  101   1HB   LYS  16          1HB       LYS  16  13.421   5.563  -4.980
  102   2HB   LYS  16          2HB       LYS  16  12.747   6.760  -3.892
  103   1HG   LYS  16          1HG       LYS  16  14.314   5.802  -2.469
  104   2HG   LYS  16          2HG       LYS  16  12.936   4.784  -2.099
  105   1HD   LYS  16          1HD       LYS  16  14.947   3.402  -2.503
  106   2HD   LYS  16          2HD       LYS  16  13.726   3.075  -3.717
  107   1HE   LYS  16          1HE       LYS  16  14.931   4.124  -5.427
  108   2HE   LYS  16          2HE       LYS  16  15.729   5.238  -4.334
  109   1HZ   LYS  16          1HZ       LYS  16  16.799   3.083  -3.450
  110   2HZ   LYS  16          2HZ       LYS  16  16.395   2.469  -4.908
  111   3HZ   LYS  16          3HZ       LYS  16  17.377   3.770  -4.814
  112    H    ASP  17           H        ASP  17  10.080   3.184  -3.062
  113    HA   ASP  17           HA       ASP  17  11.164   1.159  -4.844
  114   1HB   ASP  17          1HB       ASP  17  11.650   1.402  -2.025
  115   2HB   ASP  17          2HB       ASP  17  10.562   0.043  -2.229
  116    H    ARG  18           H        ARG  18   8.561   2.840  -4.401
  117    HA   ARG  18           HA       ARG  18   6.664   1.016  -3.425
  118   1HB   ARG  18          1HB       ARG  18   6.161   3.419  -5.245
  119   2HB   ARG  18          2HB       ARG  18   5.011   2.678  -4.151
  120   1HG   ARG  18          1HG       ARG  18   7.607   4.028  -3.272
  121   2HG   ARG  18          2HG       ARG  18   6.032   4.794  -3.238
  122   1HD   ARG  18          1HD       ARG  18   5.275   2.763  -1.777
  123   2HD   ARG  18          2HD       ARG  18   6.983   2.413  -1.597
  124    HE   ARG  18           HE       ARG  18   7.094   4.153  -0.056
  125   1HH1  ARG  18          1HH1      ARG  18   4.440   4.807  -2.272
  126   2HH1  ARG  18          2HH1      ARG  18   3.953   6.259  -1.462
  127   1HH2  ARG  18          1HH2      ARG  18   6.452   6.067   1.014
  128   2HH2  ARG  18          2HH2      ARG  18   5.105   6.980   0.420
  129    H    VAL  19           H        VAL  19   5.830  -0.748  -4.500
  130    HA   VAL  19           HA       VAL  19   6.473  -1.147  -7.251
  131    HB   VAL  19           HB       VAL  19   4.718  -2.711  -5.347
  132   1HG1  VAL  19          1HG1      VAL  19   5.783  -3.293  -8.111
  133   2HG1  VAL  19          2HG1      VAL  19   5.402  -4.608  -6.972
  134   3HG1  VAL  19          3HG1      VAL  19   4.128  -3.474  -7.480
  135   1HG2  VAL  19          1HG2      VAL  19   7.672  -2.918  -6.003
  136   2HG2  VAL  19          2HG2      VAL  19   6.922  -2.592  -4.421
  137   3HG2  VAL  19          3HG2      VAL  19   6.749  -4.196  -5.175
  138    H    ASP  20           H        ASP  20   4.003   0.530  -5.544
  139    HA   ASP  20           HA       ASP  20   2.158   1.490  -6.152
  140   1HB   ASP  20          1HB       ASP  20   3.247   2.501  -8.018
  141   2HB   ASP  20          2HB       ASP  20   3.382   0.981  -8.880
  142    H    CYS  21           H        CYS  21   0.286   0.335  -5.653
  143    HA   CYS  21           HA       CYS  21  -0.127  -2.271  -6.680
  144   1HB   CYS  21          1HB       CYS  21  -0.953  -0.950  -4.459
  145   2HB   CYS  21          2HB       CYS  21  -2.400  -0.836  -5.441
  146    H    GLY  22           H        GLY  22  -0.627   0.926  -7.857
  147   1HA   GLY  22          1HA       GLY  22  -1.735   0.120 -10.286
  148   2HA   GLY  22          2HA       GLY  22  -1.675   1.756  -9.661
  149    H    TYR  23           H        TYR  23  -3.381   2.325  -7.924
  150    HA   TYR  23           HA       TYR  23  -5.925   1.216  -8.839
  151   1HB   TYR  23          1HB       TYR  23  -4.677   0.435  -6.478
  152   2HB   TYR  23          2HB       TYR  23  -5.520   1.863  -5.911
  153    HD1  TYR  23           HD1      TYR  23  -6.518  -0.827  -8.336
  154    HD2  TYR  23           HD2      TYR  23  -7.359   1.193  -4.660
  155    HE1  TYR  23           HE1      TYR  23  -8.651  -2.185  -8.069
  156    HE2  TYR  23           HE2      TYR  23  -9.488  -0.172  -4.405
  157    HH   TYR  23           HH       TYR  23 -10.278  -2.729  -6.723
  158    HA   PRO  24           HA       PRO  24  -6.975   5.417  -8.720
  159   1HB   PRO  24          1HB       PRO  24  -9.690   5.238  -8.980
  160   2HB   PRO  24          2HB       PRO  24  -8.588   5.126 -10.338
  161   1HG   PRO  24          1HG       PRO  24 -10.091   2.968  -8.988
  162   2HG   PRO  24          2HG       PRO  24  -9.339   2.958 -10.570
  163   1HD   PRO  24          1HD       PRO  24  -8.336   1.719  -8.186
  164   2HD   PRO  24          2HD       PRO  24  -7.530   1.809  -9.739
  165    H    HIS  25           H        HIS  25  -9.733   3.977  -7.076
  166    HA   HIS  25           HA       HIS  25  -9.659   6.008  -5.123
  167   1HB   HIS  25          1HB       HIS  25 -11.700   5.255  -4.599
  168   2HB   HIS  25          2HB       HIS  25 -11.547   4.289  -6.053
  169    HD1  HIS  25           HD1      HIS  25 -12.365   3.956  -2.579
  170    HD2  HIS  25           HD2      HIS  25 -10.296   1.588  -5.355
  171    HE1  HIS  25           HE1      HIS  25 -12.338   1.590  -1.622
  172    HE2  HIS  25           HE2      HIS  25 -11.101   0.171  -3.397
  173    H    VAL  26           H        VAL  26  -7.780   6.121  -3.917
  174    HA   VAL  26           HA       VAL  26  -7.178   3.708  -2.354
  175    HB   VAL  26           HB       VAL  26  -4.792   4.488  -2.431
  176   1HG1  VAL  26          1HG1      VAL  26  -6.345   3.275  -4.644
  177   2HG1  VAL  26          2HG1      VAL  26  -4.710   3.835  -5.068
  178   3HG1  VAL  26          3HG1      VAL  26  -4.934   2.656  -3.753
  179   1HG2  VAL  26          1HG2      VAL  26  -5.847   6.251  -4.668
  180   2HG2  VAL  26          2HG2      VAL  26  -5.136   6.795  -3.129
  181   3HG2  VAL  26          3HG2      VAL  26  -4.128   5.943  -4.323
  182    H    THR  27           H        THR  27  -7.133   4.012  -0.167
  183    HA   THR  27           HA       THR  27  -6.822   6.751   0.817
  184    HB   THR  27           HB       THR  27  -8.896   6.725   1.960
  185    HG1  THR  27           HG1      THR  27  -8.639   3.846   1.460
  186   1HG2  THR  27          1HG2      THR  27  -9.464   4.886  -0.424
  187   2HG2  THR  27          2HG2      THR  27 -10.655   5.886   0.441
  188   3HG2  THR  27          3HG2      THR  27  -9.377   6.661  -0.526
  189    HA   PRO  28           HA       PRO  28  -4.610   4.906   4.003
  190   1HB   PRO  28          1HB       PRO  28  -5.306   6.274   6.264
  191   2HB   PRO  28          2HB       PRO  28  -4.197   6.908   5.064
  192   1HG   PRO  28          1HG       PRO  28  -7.013   7.657   5.564
  193   2HG   PRO  28          2HG       PRO  28  -5.781   8.542   4.687
  194   1HD   PRO  28          1HD       PRO  28  -7.941   7.032   3.557
  195   2HD   PRO  28          2HD       PRO  28  -6.643   7.820   2.682
  196    H    LYS  29           H        LYS  29  -6.850   3.392   3.281
  197    HA   LYS  29           HA       LYS  29  -6.879   1.595   5.386
  198   1HB   LYS  29          1HB       LYS  29  -8.256   3.620   6.334
  199   2HB   LYS  29          2HB       LYS  29  -9.540   2.992   5.320
  200   1HG   LYS  29          1HG       LYS  29  -8.156   0.881   6.871
  201   2HG   LYS  29          2HG       LYS  29  -8.908   2.094   7.888
  202   1HD   LYS  29          1HD       LYS  29 -10.860   1.614   5.932
  203   2HD   LYS  29          2HD       LYS  29 -10.166   0.026   6.193
  204   1HE   LYS  29          1HE       LYS  29 -10.932  -0.112   8.375
  205   2HE   LYS  29          2HE       LYS  29 -10.721   1.602   8.676
  206   1HZ   LYS  29          1HZ       LYS  29 -12.647   1.850   7.053
  207   2HZ   LYS  29          2HZ       LYS  29 -12.935   0.266   7.326
  208   3HZ   LYS  29          3HZ       LYS  29 -12.983   1.329   8.564
  209    H    GLU  30           H        GLU  30  -9.109   3.050   2.913
  210    HA   GLU  30           HA       GLU  30 -10.175   0.618   2.144
  211   1HB   GLU  30          1HB       GLU  30 -10.550   3.314   1.497
  212   2HB   GLU  30          2HB       GLU  30 -10.008   2.618  -0.017
  213   1HG   GLU  30          1HG       GLU  30 -12.463   2.470   0.144
  214   2HG   GLU  30          2HG       GLU  30 -11.768   0.862   0.140
  215    H    CYS  31           H        CYS  31  -7.345   2.499   0.929
  216    HA   CYS  31           HA       CYS  31  -6.820   0.844  -1.255
  217   1HB   CYS  31          1HB       CYS  31  -5.745   2.841  -1.438
  218   2HB   CYS  31          2HB       CYS  31  -5.348   2.928   0.266
  219    H    ASN  32           H        ASN  32  -6.073   0.704   2.234
  220    HA   ASN  32           HA       ASN  32  -4.291  -1.515   1.811
  221   1HB   ASN  32          1HB       ASN  32  -3.448  -0.934   3.865
  222   2HB   ASN  32          2HB       ASN  32  -4.438   0.507   3.736
  223   2HD2  ASN  32          2HD2      ASN  32  -3.858  -2.401   5.376
  224   1HD2  ASN  32          1HD2      ASN  32  -5.205  -2.398   6.465
  225    H    ASN  33           H        ASN  33  -7.547  -1.145   1.688
  226    HA   ASN  33           HA       ASN  33  -8.143  -3.417   3.393
  227   1HB   ASN  33          1HB       ASN  33  -9.542  -1.304   3.584
  228   2HB   ASN  33          2HB       ASN  33 -10.046  -1.521   1.919
  229   2HD2  ASN  33          2HD2      ASN  33 -11.568  -1.498   4.430
  230   1HD2  ASN  33          1HD2      ASN  33 -12.457  -2.983   4.500
  231    H    ARG  34           H        ARG  34  -8.166  -2.132   0.045
  232    HA   ARG  34           HA       ARG  34  -9.670  -4.157  -1.094
  233   1HB   ARG  34          1HB       ARG  34  -8.858  -1.846  -2.059
  234   2HB   ARG  34          2HB       ARG  34  -7.413  -2.713  -2.540
  235   1HG   ARG  34          1HG       ARG  34 -10.245  -3.561  -3.309
  236   2HG   ARG  34          2HG       ARG  34  -9.198  -2.602  -4.337
  237   1HD   ARG  34          1HD       ARG  34  -7.526  -4.717  -3.690
  238   2HD   ARG  34          2HD       ARG  34  -9.087  -5.513  -3.716
  239    HE   ARG  34           HE       ARG  34  -8.624  -3.753  -6.021
  240   1HH1  ARG  34          1HH1      ARG  34  -8.239  -7.005  -4.732
  241   2HH1  ARG  34          2HH1      ARG  34  -8.125  -7.748  -6.293
  242   1HH2  ARG  34          1HH2      ARG  34  -8.473  -4.733  -8.080
  243   2HH2  ARG  34          2HH2      ARG  34  -8.259  -6.447  -8.210
  244    H    GLY  35           H        GLY  35  -6.270  -3.912  -0.109
  245   1HA   GLY  35          1HA       GLY  35  -5.727  -6.546  -1.342
  246   2HA   GLY  35          2HA       GLY  35  -5.336  -6.191   0.329
  247    H    CYS  36           H        CYS  36  -3.956  -4.087   0.664
  248    HA   CYS  36           HA       CYS  36  -1.534  -4.447  -0.546
  249   1HB   CYS  36          1HB       CYS  36  -3.271  -3.141  -2.343
  250   2HB   CYS  36          2HB       CYS  36  -2.195  -1.901  -1.730
  251    H    CYS  37           H        CYS  37  -0.716  -1.603  -0.590
  252    HA   CYS  37           HA       CYS  37  -1.368  -0.883   2.176
  253   1HB   CYS  37          1HB       CYS  37   1.260  -1.246   0.857
  254   2HB   CYS  37          2HB       CYS  37   1.102   0.178   1.866
  255    H    PHE  38           H        PHE  38  -1.287   1.488   2.581
  256    HA   PHE  38           HA       PHE  38  -1.624   3.003   0.087
  257   1HB   PHE  38          1HB       PHE  38  -3.745   2.700   1.340
  258   2HB   PHE  38          2HB       PHE  38  -2.962   3.119   2.851
  259    HD1  PHE  38           HD1      PHE  38  -4.325   4.436  -0.283
  260    HD2  PHE  38           HD2      PHE  38  -2.530   5.428   3.432
  261    HE1  PHE  38           HE1      PHE  38  -4.995   6.835  -0.600
  262    HE2  PHE  38           HE2      PHE  38  -3.199   7.826   3.115
  263    HZ   PHE  38           HZ       PHE  38  -4.424   8.501   1.103
  264    H    ASP  39           H        ASP  39  -1.454   5.523   0.661
  265    HA   ASP  39           HA       ASP  39   0.147   6.281   2.774
  266   1HB   ASP  39          1HB       ASP  39   2.005   5.116   1.790
  267   2HB   ASP  39          2HB       ASP  39   1.587   5.647   0.173
  268    H    SER  40           H        SER  40   0.280   8.617   2.775
  269    HA   SER  40           HA       SER  40  -0.621   9.879   0.310
  270   1HB   SER  40          1HB       SER  40  -2.043  11.412   1.611
  271   2HB   SER  40          2HB       SER  40  -2.529   9.750   1.880
  272    HG   SER  40           HG       SER  40  -1.421   9.759   3.905
  273    H    ARG  41           H        ARG  41   1.996   9.414   2.029
  274    HA   ARG  41           HA       ARG  41   2.769  11.781   3.132
  275   1HB   ARG  41          1HB       ARG  41   3.929   9.333   2.803
  276   2HB   ARG  41          2HB       ARG  41   4.835  10.224   1.597
  277   1HG   ARG  41          1HG       ARG  41   4.587  11.738   4.112
  278   2HG   ARG  41          2HG       ARG  41   5.340  10.176   4.367
  279   1HD   ARG  41          1HD       ARG  41   7.113  10.647   2.812
  280   2HD   ARG  41          2HD       ARG  41   6.247  11.994   2.100
  281    HE   ARG  41           HE       ARG  41   6.711  12.419   4.938
  282   1HH1  ARG  41          1HH1      ARG  41   8.242  12.598   1.775
  283   2HH1  ARG  41          2HH1      ARG  41   9.395  13.796   2.259
  284   1HH2  ARG  41          1HH2      ARG  41   8.232  14.000   5.577
  285   2HH2  ARG  41          2HH2      ARG  41   9.389  14.599   4.437
  286    H    ILE  42           H        ILE  42   3.414  10.539  -0.232
  287    HA   ILE  42           HA       ILE  42   3.409  13.301  -1.154
  288    HB   ILE  42           HB       ILE  42   5.464  12.259  -2.615
  289   1HG1  ILE  42          1HG1      ILE  42   7.081  11.327  -0.986
  290   2HG1  ILE  42          2HG1      ILE  42   5.821  11.273   0.231
  291   1HG2  ILE  42          1HG2      ILE  42   5.191  14.520  -1.547
  292   2HG2  ILE  42          2HG2      ILE  42   5.824  13.810  -0.043
  293   3HG2  ILE  42          3HG2      ILE  42   6.840  13.850  -1.504
  294   1HD1  ILE  42          1HD1      ILE  42   4.974  10.014  -2.298
  295   2HD1  ILE  42          2HD1      ILE  42   6.414   9.242  -1.590
  296   3HD1  ILE  42          3HD1      ILE  42   4.916   9.375  -0.637
  297    HA   PRO  43           HA       PRO  43   1.086  11.377  -4.255
  298   1HB   PRO  43          1HB       PRO  43   0.869  13.459  -6.012
  299   2HB   PRO  43          2HB       PRO  43  -0.152  13.288  -4.598
  300   1HG   PRO  43          1HG       PRO  43   2.116  15.133  -5.035
  301   2HG   PRO  43          2HG       PRO  43   0.839  15.227  -3.839
  302   1HD   PRO  43          1HD       PRO  43   3.544  14.383  -3.398
  303   2HD   PRO  43          2HD       PRO  43   2.238  14.368  -2.230
  304    H    GLY  44           H        GLY  44   3.999  13.078  -5.185
  305   1HA   GLY  44          1HA       GLY  44   5.690  12.326  -6.496
  306   2HA   GLY  44          2HA       GLY  44   4.429  12.309  -7.713
  307    H    VAL  45           H        VAL  45   4.664  10.191  -4.798
  308    HA   VAL  45           HA       VAL  45   5.398   7.956  -6.515
  309    HB   VAL  45           HB       VAL  45   6.197   6.935  -4.644
  310   1HG1  VAL  45          1HG1      VAL  45   7.366   9.101  -4.956
  311   2HG1  VAL  45          2HG1      VAL  45   6.275   9.839  -3.759
  312   3HG1  VAL  45          3HG1      VAL  45   7.391   8.543  -3.266
  313   1HG2  VAL  45          1HG2      VAL  45   4.097   8.448  -3.071
  314   2HG2  VAL  45          2HG2      VAL  45   4.214   6.695  -3.357
  315   3HG2  VAL  45          3HG2      VAL  45   5.394   7.505  -2.298
  316    HA   PRO  46           HA       PRO  46   1.464   6.170  -6.389
  317   1HB   PRO  46          1HB       PRO  46   1.917   3.496  -6.056
  318   2HB   PRO  46          2HB       PRO  46   2.123   4.319  -7.589
  319   1HG   PRO  46          1HG       PRO  46   4.192   3.365  -5.706
  320   2HG   PRO  46          2HG       PRO  46   4.360   3.793  -7.397
  321   1HD   PRO  46          1HD       PRO  46   5.154   5.375  -5.140
  322   2HD   PRO  46          2HD       PRO  46   5.215   5.849  -6.826
  323    H    TRP  47           H        TRP  47   0.566   7.275  -4.622
  324    HA   TRP  47           HA       TRP  47   0.854   6.923  -2.052
  325   1HB   TRP  47          1HB       TRP  47  -1.603   7.206  -3.711
  326   2HB   TRP  47          2HB       TRP  47  -1.809   6.855  -2.006
  327    HD1  TRP  47           HD1      TRP  47   1.117   9.117  -3.054
  328    HE1  TRP  47           HE1      TRP  47   0.759  11.599  -2.231
  329    HE3  TRP  47           HE3      TRP  47  -3.669   8.456  -1.466
  330    HZ2  TRP  47           HZ2      TRP  47  -1.437  12.976  -1.035
  331    HZ3  TRP  47           HZ3      TRP  47  -4.848  10.420  -0.483
  332    HH2  TRP  47           HH2      TRP  47  -3.809  12.621  -0.256
  333    H    CYS  48           H        CYS  48  -1.141   4.648  -4.078
  334    HA   CYS  48           HA       CYS  48  -1.077   2.746  -1.897
  335   1HB   CYS  48          1HB       CYS  48  -3.117   3.350  -3.394
  336   2HB   CYS  48          2HB       CYS  48  -2.377   2.277  -4.566
  337    H    PHE  49           H        PHE  49   0.560   1.248  -1.791
  338    HA   PHE  49           HA       PHE  49   1.634   0.241  -4.304
  339   1HB   PHE  49          1HB       PHE  49   3.953   0.502  -3.148
  340   2HB   PHE  49          2HB       PHE  49   3.213   1.993  -3.696
  341    HD1  PHE  49           HD1      PHE  49   3.495  -0.154  -0.663
  342    HD2  PHE  49           HD2      PHE  49   2.977   3.762  -2.212
  343    HE1  PHE  49           HE1      PHE  49   3.674   0.787   1.657
  344    HE2  PHE  49           HE2      PHE  49   3.156   4.703   0.108
  345    HZ   PHE  49           HZ       PHE  49   3.503   3.204   2.015
  346    H    LYS  50           H        LYS  50   3.161  -1.699  -3.835
  347    HA   LYS  50           HA       LYS  50   1.731  -3.447  -2.088
  348   1HB   LYS  50          1HB       LYS  50   4.204  -3.861  -3.793
  349   2HB   LYS  50          2HB       LYS  50   3.369  -5.130  -2.921
  350   1HG   LYS  50          1HG       LYS  50   1.251  -3.998  -4.250
  351   2HG   LYS  50          2HG       LYS  50   2.539  -3.656  -5.389
  352   1HD   LYS  50          1HD       LYS  50   3.010  -6.329  -4.625
  353   2HD   LYS  50          2HD       LYS  50   1.264  -6.228  -4.734
  354   1HE   LYS  50          1HE       LYS  50   2.137  -4.826  -7.011
  355   2HE   LYS  50          2HE       LYS  50   3.279  -6.150  -6.889
  356   1HZ   LYS  50          1HZ       LYS  50   1.216  -7.564  -6.558
  357   2HZ   LYS  50          2HZ       LYS  50   0.374  -6.295  -7.148
  358   3HZ   LYS  50          3HZ       LYS  50   1.519  -7.013  -8.066
  359    HA   PRO  51           HA       PRO  51   4.297  -3.245   1.376
  360   1HB   PRO  51          1HB       PRO  51   4.414  -5.821   2.281
  361   2HB   PRO  51          2HB       PRO  51   3.035  -4.774   2.547
  362   1HG   PRO  51          1HG       PRO  51   3.314  -7.024   0.651
  363   2HG   PRO  51          2HG       PRO  51   1.852  -6.254   1.233
  364   1HD   PRO  51          1HD       PRO  51   3.080  -5.889  -1.334
  365   2HD   PRO  51          2HD       PRO  51   1.684  -5.033  -0.708
  366    H    LEU  52           H        LEU  52   6.372  -2.747   1.677
  367    HA   LEU  52           HA       LEU  52   8.318  -3.239  -0.028
  368   1HB   LEU  52          1HB       LEU  52   8.625  -1.850   1.886
  369   2HB   LEU  52          2HB       LEU  52   8.475  -3.208   2.983
  370    HG   LEU  52           HG       LEU  52  10.733  -2.855   0.993
  371   1HD1  LEU  52          1HD1      LEU  52  10.310  -1.759   3.689
  372   2HD1  LEU  52          2HD1      LEU  52  11.859  -2.610   3.475
  373   3HD1  LEU  52          3HD1      LEU  52  11.431  -1.257   2.399
  374   1HD2  LEU  52          1HD2      LEU  52   9.911  -5.051   2.752
  375   2HD2  LEU  52          2HD2      LEU  52  11.018  -5.040   1.359
  376   3HD2  LEU  52          3HD2      LEU  52  11.608  -4.557   2.967
  377    H    GLN  53           H        GLN  53   9.712  -4.857  -0.700
  378    HA   GLN  53           HA       GLN  53   8.814  -7.464  -0.343
  379   1HB   GLN  53          1HB       GLN  53  11.005  -6.081  -1.774
  380   2HB   GLN  53          2HB       GLN  53  11.419  -7.713  -1.290
  381   1HG   GLN  53          1HG       GLN  53  10.337  -7.585  -3.566
  382   2HG   GLN  53          2HG       GLN  53   9.491  -8.640  -2.451
  383   2HE2  GLN  53          2HE2      GLN  53   9.575  -5.096  -2.651
  384   1HE2  GLN  53          1HE2      GLN  53   7.882  -4.845  -2.918
  385    H    GLU  54           H        GLU  54   8.747  -7.510   2.084
  386    HA   GLU  54           HA       GLU  54  10.757  -7.180   3.778
  387   1HB   GLU  54          1HB       GLU  54   9.598  -8.579   5.278
  388   2HB   GLU  54          2HB       GLU  54   8.346  -8.080   4.158
  389   1HG   GLU  54          1HG       GLU  54   9.900 -10.708   4.025
  390   2HG   GLU  54          2HG       GLU  54   8.252 -10.529   4.593
  391    H    ALA  55           H        ALA  55  12.780  -8.008   4.161
  392    HA   ALA  55           HA       ALA  55  13.407 -10.717   3.569
  393   1HB   ALA  55          1HB       ALA  55  14.325 -10.548   1.522
  394   2HB   ALA  55          2HB       ALA  55  13.605  -8.924   1.408
  395   3HB   ALA  55          3HB       ALA  55  15.272  -9.119   2.003
  396    H    GLU  56           H        GLU  56  13.561  -9.939   5.988
  397    HA   GLU  56           HA       GLU  56  14.780  -9.463   7.722
  398   1HB   GLU  56          1HB       GLU  56  16.899 -10.427   5.787
  399   2HB   GLU  56          2HB       GLU  56  17.369  -9.876   7.383
  400   1HG   GLU  56          1HG       GLU  56  15.338 -11.499   8.130
  401   2HG   GLU  56          2HG       GLU  56  15.725 -12.278   6.608
  402    H    CYS  57           H        CYS  57  14.189  -7.203   7.757
  403    HA   CYS  57           HA       CYS  57  16.471  -5.497   7.155
  404   1HB   CYS  57          1HB       CYS  57  13.719  -5.238   6.035
  405   2HB   CYS  57          2HB       CYS  57  14.547  -3.769   6.514
  406    H    THR  58           H        THR  58  16.233  -3.349   8.389
  407    HA   THR  58           HA       THR  58  15.034  -3.933  10.989
  408    HB   THR  58           HB       THR  58  17.080  -1.889   9.982
  409    HG1  THR  58           HG1      THR  58  18.134  -3.836  10.310
  410   1HG2  THR  58          1HG2      THR  58  16.085  -2.486  12.819
  411   2HG2  THR  58          2HG2      THR  58  17.490  -1.469  12.418
  412   3HG2  THR  58          3HG2      THR  58  15.854  -0.953  11.944
  413    H    PHE  59           H        PHE  59  13.771  -2.333  12.138
  414    HA   PHE  59           HA       PHE  59  11.572  -1.503  10.883
  415   1HB   PHE  59          1HB       PHE  59  13.217  -0.648  13.250
  416   2HB   PHE  59          2HB       PHE  59  12.044   0.547  12.731
  417    HD1  PHE  59           HD1      PHE  59   9.599  -0.337  12.400
  418    HD2  PHE  59           HD2      PHE  59  12.555  -2.326  14.706
  419    HE1  PHE  59           HE1      PHE  59   7.800  -1.560  13.651
  420    HE2  PHE  59           HE2      PHE  59  10.755  -3.549  15.957
  421    HZ   PHE  59           HZ       PHE  59   8.399  -3.152  15.415

  No H/Q in entry =         421
  Start of MODEL   78
    1    H    GLU   1           H        GLU   1  11.075 -10.719  23.109
    2    HA   GLU   1           HA       GLU   1  10.279 -12.690  21.984
    3   1HB   GLU   1          1HB       GLU   1   8.847 -11.842  24.528
    4   2HB   GLU   1          2HB       GLU   1   8.655 -13.448  23.856
    5   1HG   GLU   1          1HG       GLU   1  11.068 -13.876  24.026
    6   2HG   GLU   1          2HG       GLU   1  11.373 -12.218  24.506
    7    H    GLU   2           H        GLU   2   9.202 -10.880  20.223
    8    HA   GLU   2           HA       GLU   2   6.822 -12.120  19.531
    9   1HB   GLU   2          1HB       GLU   2   5.204 -10.288  19.826
   10   2HB   GLU   2          2HB       GLU   2   5.851 -10.784  21.377
   11   1HG   GLU   2          1HG       GLU   2   7.007  -8.802  21.695
   12   2HG   GLU   2          2HG       GLU   2   7.365  -8.607  19.990
   13    H    TYR   3           H        TYR   3   5.639 -10.431  17.763
   14    HA   TYR   3           HA       TYR   3   7.636  -8.859  16.397
   15   1HB   TYR   3          1HB       TYR   3   7.738 -10.322  14.480
   16   2HB   TYR   3          2HB       TYR   3   7.787 -11.448  15.822
   17    HD1  TYR   3           HD1      TYR   3   5.533 -12.493  16.578
   18    HD2  TYR   3           HD2      TYR   3   6.083 -10.518  12.823
   19    HE1  TYR   3           HE1      TYR   3   3.488 -13.681  15.645
   20    HE2  TYR   3           HE2      TYR   3   4.036 -11.712  11.903
   21    HH   TYR   3           HH       TYR   3   2.875 -14.172  12.708
   22    H    VAL   4           H        VAL   4   6.657  -7.882  14.331
   23    HA   VAL   4           HA       VAL   4   3.907  -7.990  13.879
   24    HB   VAL   4           HB       VAL   4   3.801  -6.981  16.121
   25   1HG1  VAL   4          1HG1      VAL   4   6.067  -5.656  15.535
   26   2HG1  VAL   4          2HG1      VAL   4   4.885  -4.381  15.153
   27   3HG1  VAL   4          3HG1      VAL   4   4.917  -5.108  16.778
   28   1HG2  VAL   4          1HG2      VAL   4   2.346  -6.329  13.942
   29   2HG2  VAL   4          2HG2      VAL   4   2.041  -5.657  15.562
   30   3HG2  VAL   4          3HG2      VAL   4   2.977  -4.721  14.373
   31    H    GLY   5           H        GLY   5   3.977  -7.645  11.724
   32   1HA   GLY   5          1HA       GLY   5   5.646  -6.947   9.979
   33   2HA   GLY   5          2HA       GLY   5   5.625  -5.383  10.771
   34    H    LEU   6           H        LEU   6   2.540  -6.501  11.263
   35    HA   LEU   6           HA       LEU   6   1.535  -5.851   8.621
   36   1HB   LEU   6          1HB       LEU   6  -0.538  -6.684   9.372
   37   2HB   LEU   6          2HB       LEU   6   0.705  -7.799   9.904
   38    HG   LEU   6           HG       LEU   6   0.240  -5.886  11.995
   39   1HD1  LEU   6          1HD1      LEU   6  -1.945  -5.514  10.953
   40   2HD1  LEU   6          2HD1      LEU   6  -2.273  -7.263  11.007
   41   3HD1  LEU   6          3HD1      LEU   6  -2.099  -6.343  12.521
   42   1HD2  LEU   6          1HD2      LEU   6   1.043  -8.397  11.912
   43   2HD2  LEU   6          2HD2      LEU   6   0.202  -7.740  13.337
   44   3HD2  LEU   6          3HD2      LEU   6  -0.690  -8.724  12.152
   45    H    SER   7           H        SER   7   2.837  -3.655   9.432
   46    HA   SER   7           HA       SER   7   1.007  -1.692   9.301
   47   1HB   SER   7          1HB       SER   7   1.125  -0.767  11.717
   48   2HB   SER   7          2HB       SER   7   0.026  -2.097  11.413
   49    HG   SER   7           HG       SER   7   1.857  -3.535  12.135
   50    H    ALA   8           H        ALA   8   2.429  -0.386   8.196
   51    HA   ALA   8           HA       ALA   8   4.076   1.115   7.978
   52   1HB   ALA   8          1HB       ALA   8   5.103   1.961   9.821
   53   2HB   ALA   8          2HB       ALA   8   5.642   0.360  10.380
   54   3HB   ALA   8          3HB       ALA   8   3.980   0.904  10.710
   55    H    ASN   9           H        ASN   9   5.735  -1.545   9.811
   56    HA   ASN   9           HA       ASN   9   7.922  -1.754   8.354
   57   1HB   ASN   9          1HB       ASN   9   7.279  -3.199  10.337
   58   2HB   ASN   9          2HB       ASN   9   6.261  -4.157   9.281
   59   2HD2  ASN   9          2HD2      ASN   9   9.406  -3.551  10.438
   60   1HD2  ASN   9          1HD2      ASN   9  10.284  -4.718   9.506
   61    H    GLN  10           H        GLN  10   4.623  -2.686   7.420
   62    HA   GLN  10           HA       GLN  10   5.534  -4.184   5.152
   63   1HB   GLN  10          1HB       GLN  10   3.324  -4.423   6.690
   64   2HB   GLN  10          2HB       GLN  10   2.660  -3.367   5.459
   65   1HG   GLN  10          1HG       GLN  10   2.344  -5.218   4.182
   66   2HG   GLN  10          2HG       GLN  10   4.083  -5.271   3.965
   67   2HE2  GLN  10          2HE2      GLN  10   1.359  -6.443   5.826
   68   1HE2  GLN  10          1HE2      GLN  10   2.110  -7.851   6.501
   69    H    CYS  11           H        CYS  11   3.956  -1.023   5.884
   70    HA   CYS  11           HA       CYS  11   4.362  -0.309   3.073
   71   1HB   CYS  11          1HB       CYS  11   2.643   1.344   4.859
   72   2HB   CYS  11          2HB       CYS  11   2.531   1.061   3.134
   73    H    ALA  12           H        ALA  12   6.648  -0.363   4.632
   74    HA   ALA  12           HA       ALA  12   7.016   2.442   5.430
   75   1HB   ALA  12          1HB       ALA  12   9.091   1.288   6.598
   76   2HB   ALA  12          2HB       ALA  12   7.478   1.211   7.348
   77   3HB   ALA  12          3HB       ALA  12   8.101  -0.182   6.432
   78    H    VAL  13           H        VAL  13   6.988   2.014   2.719
   79    HA   VAL  13           HA       VAL  13   9.696   1.448   1.869
   80    HB   VAL  13           HB       VAL  13   7.706   2.515  -0.033
   81   1HG1  VAL  13          1HG1      VAL  13   9.930   0.584   0.056
   82   2HG1  VAL  13          2HG1      VAL  13   8.548   0.062  -0.936
   83   3HG1  VAL  13          3HG1      VAL  13   9.353   1.613  -1.276
   84   1HG2  VAL  13          1HG2      VAL  13   7.150   0.122   1.688
   85   2HG2  VAL  13          2HG2      VAL  13   6.034   1.351   1.045
   86   3HG2  VAL  13          3HG2      VAL  13   6.676   0.084  -0.028
   87    HA   PRO  14           HA       PRO  14  10.905   5.597   1.803
   88   1HB   PRO  14          1HB       PRO  14  12.941   5.527  -0.018
   89   2HB   PRO  14          2HB       PRO  14  13.129   5.021   1.649
   90   1HG   PRO  14          1HG       PRO  14  12.918   3.352  -0.781
   91   2HG   PRO  14          2HG       PRO  14  13.521   2.912   0.804
   92   1HD   PRO  14          1HD       PRO  14  10.968   2.230  -0.311
   93   2HD   PRO  14          2HD       PRO  14  11.526   1.890   1.315
   94    H    ALA  15           H        ALA  15   9.141   4.254  -0.551
   95    HA   ALA  15           HA       ALA  15   7.711   5.335  -1.921
   96   1HB   ALA  15          1HB       ALA  15   9.304   7.842  -2.162
   97   2HB   ALA  15          2HB       ALA  15   7.551   7.615  -1.953
   98   3HB   ALA  15          3HB       ALA  15   8.638   7.485  -0.550
   99    H    LYS  16           H        LYS  16  11.209   5.233  -2.197
  100    HA   LYS  16           HA       LYS  16  11.074   5.440  -5.094
  101   1HB   LYS  16          1HB       LYS  16  13.511   5.433  -4.990
  102   2HB   LYS  16          2HB       LYS  16  12.841   6.661  -3.935
  103   1HG   LYS  16          1HG       LYS  16  14.291   5.731  -2.407
  104   2HG   LYS  16          2HG       LYS  16  12.962   4.619  -2.148
  105   1HD   LYS  16          1HD       LYS  16  14.977   3.299  -2.469
  106   2HD   LYS  16          2HD       LYS  16  13.963   3.074  -3.880
  107   1HE   LYS  16          1HE       LYS  16  15.477   5.300  -4.604
  108   2HE   LYS  16          2HE       LYS  16  16.624   4.371  -3.659
  109   1HZ   LYS  16          1HZ       LYS  16  15.013   3.164  -5.791
  110   2HZ   LYS  16          2HZ       LYS  16  16.487   3.813  -6.061
  111   3HZ   LYS  16          3HZ       LYS  16  16.329   2.534  -5.057
  112    H    ASP  17           H        ASP  17  10.099   3.157  -3.067
  113    HA   ASP  17           HA       ASP  17  11.201   1.062  -4.758
  114   1HB   ASP  17          1HB       ASP  17  11.583   1.379  -1.936
  115   2HB   ASP  17          2HB       ASP  17  10.460   0.049  -2.132
  116    H    ARG  18           H        ARG  18   8.613   2.811  -4.454
  117    HA   ARG  18           HA       ARG  18   6.651   1.004  -3.547
  118   1HB   ARG  18          1HB       ARG  18   6.229   3.444  -5.338
  119   2HB   ARG  18          2HB       ARG  18   5.052   2.710  -4.266
  120   1HG   ARG  18          1HG       ARG  18   7.659   4.007  -3.338
  121   2HG   ARG  18          2HG       ARG  18   6.098   4.803  -3.323
  122   1HD   ARG  18          1HD       ARG  18   5.298   2.734  -1.905
  123   2HD   ARG  18          2HD       ARG  18   7.005   2.422  -1.665
  124    HE   ARG  18           HE       ARG  18   7.022   4.162  -0.120
  125   1HH1  ARG  18          1HH1      ARG  18   4.444   4.766  -2.437
  126   2HH1  ARG  18          2HH1      ARG  18   3.899   6.209  -1.648
  127   1HH2  ARG  18          1HH2      ARG  18   6.304   6.065   0.921
  128   2HH2  ARG  18          2HH2      ARG  18   4.965   6.952   0.275
  129    H    VAL  19           H        VAL  19   5.888  -0.749  -4.686
  130    HA   VAL  19           HA       VAL  19   6.576  -1.052  -7.441
  131    HB   VAL  19           HB       VAL  19   4.774  -2.730  -5.688
  132   1HG1  VAL  19          1HG1      VAL  19   5.905  -3.027  -8.417
  133   2HG1  VAL  19          2HG1      VAL  19   5.996  -4.465  -7.372
  134   3HG1  VAL  19          3HG1      VAL  19   4.421  -3.705  -7.705
  135   1HG2  VAL  19          1HG2      VAL  19   7.438  -2.157  -5.194
  136   2HG2  VAL  19          2HG2      VAL  19   6.546  -3.580  -4.605
  137   3HG2  VAL  19          3HG2      VAL  19   7.513  -3.690  -6.095
  138    H    ASP  20           H        ASP  20   4.127   0.622  -5.767
  139    HA   ASP  20           HA       ASP  20   2.273   1.570  -6.367
  140   1HB   ASP  20          1HB       ASP  20   3.656   2.313  -8.336
  141   2HB   ASP  20          2HB       ASP  20   3.118   0.904  -9.228
  142    H    CYS  21           H        CYS  21   0.388   0.443  -5.857
  143    HA   CYS  21           HA       CYS  21  -0.036  -2.178  -6.862
  144   1HB   CYS  21          1HB       CYS  21  -0.825  -0.837  -4.628
  145   2HB   CYS  21          2HB       CYS  21  -2.292  -0.764  -5.584
  146    H    GLY  22           H        GLY  22  -0.669   1.072  -7.926
  147   1HA   GLY  22          1HA       GLY  22  -1.779   0.273 -10.376
  148   2HA   GLY  22          2HA       GLY  22  -1.730   1.900  -9.725
  149    H    TYR  23           H        TYR  23  -3.404   2.399  -7.926
  150    HA   TYR  23           HA       TYR  23  -5.950   1.259  -8.805
  151   1HB   TYR  23          1HB       TYR  23  -4.608   0.540  -6.452
  152   2HB   TYR  23          2HB       TYR  23  -5.551   1.906  -5.889
  153    HD1  TYR  23           HD1      TYR  23  -6.360  -0.842  -8.318
  154    HD2  TYR  23           HD2      TYR  23  -7.332   1.101  -4.633
  155    HE1  TYR  23           HE1      TYR  23  -8.392  -2.346  -8.053
  156    HE2  TYR  23           HE2      TYR  23  -9.361  -0.410  -4.380
  157    HH   TYR  23           HH       TYR  23 -10.823  -1.703  -5.761
  158    HA   PRO  24           HA       PRO  24  -7.071   5.441  -8.649
  159   1HB   PRO  24          1HB       PRO  24  -9.786   5.214  -8.865
  160   2HB   PRO  24          2HB       PRO  24  -8.705   5.130 -10.242
  161   1HG   PRO  24          1HG       PRO  24 -10.145   2.936  -8.880
  162   2HG   PRO  24          2HG       PRO  24  -9.419   2.949 -10.475
  163   1HD   PRO  24          1HD       PRO  24  -8.354   1.716  -8.114
  164   2HD   PRO  24          2HD       PRO  24  -7.575   1.829  -9.680
  165    H    HIS  25           H        HIS  25  -9.791   3.964  -6.980
  166    HA   HIS  25           HA       HIS  25  -9.703   5.977  -5.009
  167   1HB   HIS  25          1HB       HIS  25 -11.718   5.182  -4.412
  168   2HB   HIS  25          2HB       HIS  25 -11.612   4.314  -5.930
  169    HD1  HIS  25           HD1      HIS  25 -12.484   3.717  -2.554
  170    HD2  HIS  25           HD2      HIS  25 -10.182   1.610  -5.357
  171    HE1  HIS  25           HE1      HIS  25 -12.387   1.304  -1.730
  172    HE2  HIS  25           HE2      HIS  25 -11.006   0.047  -3.521
  173    H    VAL  26           H        VAL  26  -7.793   6.084  -3.846
  174    HA   VAL  26           HA       VAL  26  -7.151   3.657  -2.319
  175    HB   VAL  26           HB       VAL  26  -4.781   4.472  -2.401
  176   1HG1  VAL  26          1HG1      VAL  26  -6.288   3.452  -4.790
  177   2HG1  VAL  26          2HG1      VAL  26  -4.551   3.810  -4.938
  178   3HG1  VAL  26          3HG1      VAL  26  -5.116   2.620  -3.741
  179   1HG2  VAL  26          1HG2      VAL  26  -5.931   6.750  -3.558
  180   2HG2  VAL  26          2HG2      VAL  26  -4.197   6.380  -3.406
  181   3HG2  VAL  26          3HG2      VAL  26  -5.073   5.941  -4.892
  182    H    THR  27           H        THR  27  -7.124   3.914  -0.130
  183    HA   THR  27           HA       THR  27  -6.878   6.647   0.904
  184    HB   THR  27           HB       THR  27  -8.898   6.442   2.172
  185    HG1  THR  27           HG1      THR  27  -8.483   3.649   1.408
  186   1HG2  THR  27          1HG2      THR  27  -9.382   6.598  -0.339
  187   2HG2  THR  27          2HG2      THR  27  -9.532   4.824  -0.348
  188   3HG2  THR  27          3HG2      THR  27 -10.666   5.808   0.607
  189    HA   PRO  28           HA       PRO  28  -4.504   4.859   4.004
  190   1HB   PRO  28          1HB       PRO  28  -5.225   6.133   6.311
  191   2HB   PRO  28          2HB       PRO  28  -4.179   6.855   5.104
  192   1HG   PRO  28          1HG       PRO  28  -7.021   7.434   5.681
  193   2HG   PRO  28          2HG       PRO  28  -5.859   8.406   4.800
  194   1HD   PRO  28          1HD       PRO  28  -7.957   6.804   3.678
  195   2HD   PRO  28          2HD       PRO  28  -6.724   7.684   2.796
  196    H    LYS  29           H        LYS  29  -6.834   3.343   3.313
  197    HA   LYS  29           HA       LYS  29  -6.657   1.418   5.300
  198   1HB   LYS  29          1HB       LYS  29  -7.966   3.336   6.496
  199   2HB   LYS  29          2HB       LYS  29  -9.322   2.799   5.527
  200   1HG   LYS  29          1HG       LYS  29  -7.810   0.601   6.858
  201   2HG   LYS  29          2HG       LYS  29  -8.604   1.707   7.961
  202   1HD   LYS  29          1HD       LYS  29 -10.028   0.394   5.602
  203   2HD   LYS  29          2HD       LYS  29 -10.014  -0.292   7.214
  204   1HE   LYS  29          1HE       LYS  29 -11.032   1.842   8.099
  205   2HE   LYS  29          2HE       LYS  29 -11.102   2.464   6.463
  206   1HZ   LYS  29          1HZ       LYS  29 -12.250  -0.130   6.745
  207   2HZ   LYS  29          2HZ       LYS  29 -13.013   1.011   7.630
  208   3HZ   LYS  29          3HZ       LYS  29 -12.853   1.201   6.016
  209    H    GLU  30           H        GLU  30  -8.928   3.014   2.974
  210    HA   GLU  30           HA       GLU  30 -10.089   0.602   2.185
  211   1HB   GLU  30          1HB       GLU  30 -10.744   3.191   1.833
  212   2HB   GLU  30          2HB       GLU  30  -9.961   2.933   0.287
  213   1HG   GLU  30          1HG       GLU  30 -12.255   2.387  -0.094
  214   2HG   GLU  30          2HG       GLU  30 -11.441   0.840   0.020
  215    H    CYS  31           H        CYS  31  -7.092   2.253   1.338
  216    HA   CYS  31           HA       CYS  31  -6.771   0.789  -1.110
  217   1HB   CYS  31          1HB       CYS  31  -5.767   2.823  -1.323
  218   2HB   CYS  31          2HB       CYS  31  -5.270   2.896   0.355
  219    H    ASN  32           H        ASN  32  -5.807   0.661   2.331
  220    HA   ASN  32           HA       ASN  32  -3.992  -1.501   1.800
  221   1HB   ASN  32          1HB       ASN  32  -3.339  -1.284   4.103
  222   2HB   ASN  32          2HB       ASN  32  -3.639   0.359   3.573
  223   2HD2  ASN  32          2HD2      ASN  32  -3.860   0.745   5.872
  224   1HD2  ASN  32          1HD2      ASN  32  -5.387   0.503   6.653
  225    H    ASN  33           H        ASN  33  -7.264  -1.238   1.842
  226    HA   ASN  33           HA       ASN  33  -7.685  -3.579   3.510
  227   1HB   ASN  33          1HB       ASN  33  -9.162  -1.651   4.001
  228   2HB   ASN  33          2HB       ASN  33  -9.638  -1.542   2.319
  229   2HD2  ASN  33          2HD2      ASN  33 -10.549  -2.588   5.275
  230   1HD2  ASN  33          1HD2      ASN  33 -11.685  -3.831   4.870
  231    H    ARG  34           H        ARG  34  -8.055  -2.141   0.235
  232    HA   ARG  34           HA       ARG  34  -9.566  -4.146  -0.889
  233   1HB   ARG  34          1HB       ARG  34  -8.764  -1.779  -1.795
  234   2HB   ARG  34          2HB       ARG  34  -7.418  -2.681  -2.461
  235   1HG   ARG  34          1HG       ARG  34 -10.344  -3.402  -2.958
  236   2HG   ARG  34          2HG       ARG  34  -9.395  -2.402  -4.040
  237   1HD   ARG  34          1HD       ARG  34  -7.693  -4.533  -3.788
  238   2HD   ARG  34          2HD       ARG  34  -9.222  -5.353  -3.537
  239    HE   ARG  34           HE       ARG  34  -8.323  -4.028  -6.021
  240   1HH1  ARG  34          1HH1      ARG  34 -10.996  -5.492  -4.262
  241   2HH1  ARG  34          2HH1      ARG  34 -11.940  -5.784  -5.685
  242   1HH2  ARG  34          1HH2      ARG  34  -9.567  -4.412  -7.898
  243   2HH2  ARG  34          2HH2      ARG  34 -11.122  -5.165  -7.767
  244    H    GLY  35           H        GLY  35  -6.135  -3.949  -0.051
  245   1HA   GLY  35          1HA       GLY  35  -5.646  -6.511  -1.447
  246   2HA   GLY  35          2HA       GLY  35  -5.169  -6.231   0.216
  247    H    CYS  36           H        CYS  36  -3.758  -4.169   0.587
  248    HA   CYS  36           HA       CYS  36  -1.403  -4.452  -0.735
  249   1HB   CYS  36          1HB       CYS  36  -3.194  -3.176  -2.468
  250   2HB   CYS  36          2HB       CYS  36  -2.185  -1.887  -1.843
  251    H    CYS  37           H        CYS  37  -0.659  -1.564  -0.774
  252    HA   CYS  37           HA       CYS  37  -1.197  -0.910   2.031
  253   1HB   CYS  37          1HB       CYS  37   1.395  -1.170   0.597
  254   2HB   CYS  37          2HB       CYS  37   1.236   0.173   1.711
  255    H    PHE  38           H        PHE  38  -1.113   1.458   2.470
  256    HA   PHE  38           HA       PHE  38  -1.549   3.008   0.013
  257   1HB   PHE  38          1HB       PHE  38  -3.625   2.657   1.334
  258   2HB   PHE  38          2HB       PHE  38  -2.798   3.076   2.821
  259    HD1  PHE  38           HD1      PHE  38  -4.246   4.403  -0.279
  260    HD2  PHE  38           HD2      PHE  38  -2.417   5.379   3.424
  261    HE1  PHE  38           HE1      PHE  38  -4.959   6.794  -0.556
  262    HE2  PHE  38           HE2      PHE  38  -3.130   7.769   3.147
  263    HZ   PHE  38           HZ       PHE  38  -4.393   8.448   1.160
  264    H    ASP  39           H        ASP  39  -1.417   5.530   0.671
  265    HA   ASP  39           HA       ASP  39   0.250   6.265   2.730
  266   1HB   ASP  39          1HB       ASP  39   2.092   5.138   1.674
  267   2HB   ASP  39          2HB       ASP  39   1.621   5.691   0.079
  268    H    SER  40           H        SER  40   0.372   8.604   2.762
  269    HA   SER  40           HA       SER  40  -0.594   9.902   0.344
  270   1HB   SER  40          1HB       SER  40  -2.030  11.382   1.692
  271   2HB   SER  40          2HB       SER  40  -2.487   9.706   1.925
  272    HG   SER  40           HG       SER  40  -0.558  10.427   3.761
  273    H    ARG  41           H        ARG  41   2.042   9.442   2.041
  274    HA   ARG  41           HA       ARG  41   2.764  11.837   3.156
  275   1HB   ARG  41          1HB       ARG  41   3.946   9.411   2.960
  276   2HB   ARG  41          2HB       ARG  41   4.839  10.211   1.682
  277   1HG   ARG  41          1HG       ARG  41   4.777  12.051   3.869
  278   2HG   ARG  41          2HG       ARG  41   5.139  10.484   4.566
  279   1HD   ARG  41          1HD       ARG  41   6.847  10.310   2.510
  280   2HD   ARG  41          2HD       ARG  41   6.717  12.057   2.519
  281    HE   ARG  41           HE       ARG  41   8.117  10.436   4.464
  282   1HH1  ARG  41          1HH1      ARG  41   6.241  13.396   4.146
  283   2HH1  ARG  41          2HH1      ARG  41   6.977  14.161   5.515
  284   1HH2  ARG  41          1HH2      ARG  41   9.088  11.444   6.270
  285   2HH2  ARG  41          2HH2      ARG  41   8.607  13.043   6.731
  286    H    ILE  42           H        ILE  42   3.397  10.544  -0.187
  287    HA   ILE  42           HA       ILE  42   3.460  13.295  -1.139
  288    HB   ILE  42           HB       ILE  42   5.487  12.177  -2.591
  289   1HG1  ILE  42          1HG1      ILE  42   7.088  11.252  -0.937
  290   2HG1  ILE  42          2HG1      ILE  42   5.822  11.244   0.275
  291   1HG2  ILE  42          1HG2      ILE  42   5.301  14.466  -1.625
  292   2HG2  ILE  42          2HG2      ILE  42   5.828  13.803  -0.059
  293   3HG2  ILE  42          3HG2      ILE  42   6.919  13.740  -1.464
  294   1HD1  ILE  42          1HD1      ILE  42   4.977   9.950  -2.240
  295   2HD1  ILE  42          2HD1      ILE  42   6.386   9.164  -1.489
  296   3HD1  ILE  42          3HD1      ILE  42   4.875   9.353  -0.566
  297    HA   PRO  43           HA       PRO  43   1.066  11.366  -4.187
  298   1HB   PRO  43          1HB       PRO  43   0.798  13.462  -5.920
  299   2HB   PRO  43          2HB       PRO  43  -0.195  13.269  -4.489
  300   1HG   PRO  43          1HG       PRO  43   2.049  15.138  -4.950
  301   2HG   PRO  43          2HG       PRO  43   0.794  15.209  -3.729
  302   1HD   PRO  43          1HD       PRO  43   3.514  14.385  -3.348
  303   2HD   PRO  43          2HD       PRO  43   2.230  14.346  -2.155
  304    H    GLY  44           H        GLY  44   3.973  13.064  -5.116
  305   1HA   GLY  44          1HA       GLY  44   5.647  12.313  -6.455
  306   2HA   GLY  44          2HA       GLY  44   4.381  12.371  -7.665
  307    H    VAL  45           H        VAL  45   4.820  10.152  -4.826
  308    HA   VAL  45           HA       VAL  45   5.398   7.968  -6.642
  309    HB   VAL  45           HB       VAL  45   6.222   6.866  -4.826
  310   1HG1  VAL  45          1HG1      VAL  45   7.122   9.348  -5.113
  311   2HG1  VAL  45          2HG1      VAL  45   6.458   9.526  -3.471
  312   3HG1  VAL  45          3HG1      VAL  45   7.700   8.293  -3.800
  313   1HG2  VAL  45          1HG2      VAL  45   4.224   8.383  -3.123
  314   2HG2  VAL  45          2HG2      VAL  45   4.237   6.646  -3.511
  315   3HG2  VAL  45          3HG2      VAL  45   5.493   7.331  -2.452
  316    HA   PRO  46           HA       PRO  46   1.455   6.200  -6.465
  317   1HB   PRO  46          1HB       PRO  46   1.881   3.519  -6.156
  318   2HB   PRO  46          2HB       PRO  46   2.078   4.350  -7.686
  319   1HG   PRO  46          1HG       PRO  46   4.158   3.359  -5.834
  320   2HG   PRO  46          2HG       PRO  46   4.311   3.796  -7.524
  321   1HD   PRO  46          1HD       PRO  46   5.151   5.353  -5.266
  322   2HD   PRO  46          2HD       PRO  46   5.197   5.839  -6.950
  323    H    TRP  47           H        TRP  47   0.526   7.263  -4.710
  324    HA   TRP  47           HA       TRP  47   0.856   6.914  -2.135
  325   1HB   TRP  47          1HB       TRP  47  -1.602   7.225  -3.780
  326   2HB   TRP  47          2HB       TRP  47  -1.818   6.831  -2.086
  327    HD1  TRP  47           HD1      TRP  47   1.121   9.112  -3.043
  328    HE1  TRP  47           HE1      TRP  47   0.758  11.574  -2.166
  329    HE3  TRP  47           HE3      TRP  47  -3.687   8.427  -1.539
  330    HZ2  TRP  47           HZ2      TRP  47  -1.450  12.928  -0.968
  331    HZ3  TRP  47           HZ3      TRP  47  -4.875  10.370  -0.525
  332    HH2  TRP  47           HH2      TRP  47  -3.834  12.561  -0.231
  333    H    CYS  48           H        CYS  48  -1.178   4.653  -4.141
  334    HA   CYS  48           HA       CYS  48  -1.078   2.739  -1.973
  335   1HB   CYS  48          1HB       CYS  48  -3.138   3.364  -3.448
  336   2HB   CYS  48          2HB       CYS  48  -2.425   2.269  -4.615
  337    H    PHE  49           H        PHE  49   0.649   1.345  -1.891
  338    HA   PHE  49           HA       PHE  49   1.659   0.334  -4.440
  339   1HB   PHE  49          1HB       PHE  49   3.979   0.545  -3.254
  340   2HB   PHE  49          2HB       PHE  49   3.260   2.045  -3.803
  341    HD1  PHE  49           HD1      PHE  49   3.498  -0.118  -0.779
  342    HD2  PHE  49           HD2      PHE  49   3.011   3.809  -2.313
  343    HE1  PHE  49           HE1      PHE  49   3.660   0.811   1.547
  344    HE2  PHE  49           HE2      PHE  49   3.173   4.737   0.014
  345    HZ   PHE  49           HZ       PHE  49   3.495   3.227   1.916
  346    H    LYS  50           H        LYS  50   3.124  -1.646  -4.062
  347    HA   LYS  50           HA       LYS  50   1.694  -3.467  -2.446
  348   1HB   LYS  50          1HB       LYS  50   4.306  -3.708  -3.965
  349   2HB   LYS  50          2HB       LYS  50   3.507  -5.048  -3.166
  350   1HG   LYS  50          1HG       LYS  50   1.393  -4.091  -4.588
  351   2HG   LYS  50          2HG       LYS  50   2.688  -3.541  -5.632
  352   1HD   LYS  50          1HD       LYS  50   3.408  -6.194  -4.964
  353   2HD   LYS  50          2HD       LYS  50   1.674  -6.265  -5.209
  354   1HE   LYS  50          1HE       LYS  50   2.586  -4.642  -7.328
  355   2HE   LYS  50          2HE       LYS  50   3.820  -5.878  -7.187
  356   1HZ   LYS  50          1HZ       LYS  50   1.141  -6.866  -7.011
  357   2HZ   LYS  50          2HZ       LYS  50   1.511  -6.201  -8.456
  358   3HZ   LYS  50          3HZ       LYS  50   2.408  -7.434  -7.871
  359    HA   PRO  51           HA       PRO  51   3.915  -3.298   1.250
  360   1HB   PRO  51          1HB       PRO  51   4.002  -5.897   2.093
  361   2HB   PRO  51          2HB       PRO  51   2.582  -4.883   2.256
  362   1HG   PRO  51          1HG       PRO  51   3.084  -7.073   0.336
  363   2HG   PRO  51          2HG       PRO  51   1.558  -6.347   0.798
  364   1HD   PRO  51          1HD       PRO  51   3.012  -5.886  -1.631
  365   2HD   PRO  51          2HD       PRO  51   1.547  -5.075  -1.117
  366    H    LEU  52           H        LEU  52   5.942  -2.741   1.711
  367    HA   LEU  52           HA       LEU  52   8.040  -3.215   0.171
  368   1HB   LEU  52          1HB       LEU  52   8.228  -1.752   2.001
  369   2HB   LEU  52          2HB       LEU  52   7.869  -3.011   3.166
  370    HG   LEU  52           HG       LEU  52  10.382  -2.945   1.475
  371   1HD1  LEU  52          1HD1      LEU  52  10.009  -1.006   3.147
  372   2HD1  LEU  52          2HD1      LEU  52  10.293  -2.240   4.399
  373   3HD1  LEU  52          3HD1      LEU  52  11.550  -1.896   3.186
  374   1HD2  LEU  52          1HD2      LEU  52   9.212  -4.912   3.261
  375   2HD2  LEU  52          2HD2      LEU  52  10.608  -5.046   2.165
  376   3HD2  LEU  52          3HD2      LEU  52  10.827  -4.403   3.811
  377    H    GLN  53           H        GLN  53   9.337  -4.867  -0.494
  378    HA   GLN  53           HA       GLN  53   8.531  -7.465   0.018
  379   1HB   GLN  53          1HB       GLN  53  10.851  -7.995  -1.060
  380   2HB   GLN  53          2HB       GLN  53   9.652  -7.154  -2.022
  381   1HG   GLN  53          1HG       GLN  53  11.413  -5.382  -0.387
  382   2HG   GLN  53          2HG       GLN  53  12.238  -6.276  -1.649
  383   2HE2  GLN  53          2HE2      GLN  53  10.906  -3.435  -1.003
  384   1HE2  GLN  53          1HE2      GLN  53  10.308  -2.938  -2.551
  385    H    GLU  54           H        GLU  54   8.446  -7.530   2.404
  386    HA   GLU  54           HA       GLU  54  10.488  -7.030   4.082
  387   1HB   GLU  54          1HB       GLU  54   9.302  -8.273   5.680
  388   2HB   GLU  54          2HB       GLU  54   8.052  -7.879   4.516
  389   1HG   GLU  54          1HG       GLU  54   8.632 -10.148   3.377
  390   2HG   GLU  54          2HG       GLU  54   9.534 -10.520   4.833
  391    H    ALA  55           H        ALA  55  12.573  -7.731   4.189
  392    HA   ALA  55           HA       ALA  55  13.109 -10.546   3.795
  393   1HB   ALA  55          1HB       ALA  55  14.423 -10.372   1.908
  394   2HB   ALA  55          2HB       ALA  55  13.239  -9.092   1.552
  395   3HB   ALA  55          3HB       ALA  55  14.835  -8.669   2.217
  396    H    GLU  56           H        GLU  56  13.503 -10.337   6.111
  397    HA   GLU  56           HA       GLU  56  15.791  -8.670   6.745
  398   1HB   GLU  56          1HB       GLU  56  13.716 -10.064   8.483
  399   2HB   GLU  56          2HB       GLU  56  15.134  -9.280   9.151
  400   1HG   GLU  56          1HG       GLU  56  14.414  -7.160   7.869
  401   2HG   GLU  56          2HG       GLU  56  12.901  -7.978   7.532
  402    H    CYS  57           H        CYS  57  17.405 -10.033   5.724
  403    HA   CYS  57           HA       CYS  57  18.102 -12.276   7.425
  404   1HB   CYS  57          1HB       CYS  57  17.064 -12.570   4.740
  405   2HB   CYS  57          2HB       CYS  57  18.713 -13.157   4.827
  406    H    THR  58           H        THR  58  19.498 -10.240   7.973
  407    HA   THR  58           HA       THR  58  21.388  -9.342   6.068
  408    HB   THR  58           HB       THR  58  21.204  -9.214   9.121
  409    HG1  THR  58           HG1      THR  58  19.669  -7.819   8.304
  410   1HG2  THR  58          1HG2      THR  58  23.569  -8.801   8.292
  411   2HG2  THR  58          2HG2      THR  58  22.920  -7.551   7.204
  412   3HG2  THR  58          3HG2      THR  58  22.802  -7.344   8.968
  413    H    PHE  59           H        PHE  59  21.821 -11.471   8.979
  414    HA   PHE  59           HA       PHE  59  24.408 -12.137   8.588
  415   1HB   PHE  59          1HB       PHE  59  21.937 -13.735   9.459
  416   2HB   PHE  59          2HB       PHE  59  23.543 -14.423   9.595
  417    HD1  PHE  59           HD1      PHE  59  25.163 -13.492  11.192
  418    HD2  PHE  59           HD2      PHE  59  21.197 -12.001  10.960
  419    HE1  PHE  59           HE1      PHE  59  25.451 -12.380  13.423
  420    HE2  PHE  59           HE2      PHE  59  21.484 -10.889  13.192
  421    HZ   PHE  59           HZ       PHE  59  23.608 -11.092  14.397

  No H/Q in entry =         421
  Start of MODEL   79
    1    H    GLU   1           H        GLU   1   2.505  -6.045  17.669
    2    HA   GLU   1           HA       GLU   1   4.244  -7.226  19.263
    3   1HB   GLU   1          1HB       GLU   1   2.968  -5.120  20.795
    4   2HB   GLU   1          2HB       GLU   1   2.530  -6.670  21.485
    5   1HG   GLU   1          1HG       GLU   1   4.884  -7.315  21.705
    6   2HG   GLU   1          2HG       GLU   1   5.406  -5.902  20.810
    7    H    GLU   2           H        GLU   2   2.394  -7.910  17.293
    8    HA   GLU   2           HA       GLU   2   1.329 -10.204  18.253
    9   1HB   GLU   2          1HB       GLU   2  -0.285  -8.018  19.100
   10   2HB   GLU   2          2HB       GLU   2  -1.175  -8.789  17.803
   11   1HG   GLU   2          1HG       GLU   2  -1.518 -10.732  18.998
   12   2HG   GLU   2          2HG       GLU   2   0.067 -10.680  19.745
   13    H    TYR   3           H        TYR   3   0.019  -7.507  16.180
   14    HA   TYR   3           HA       TYR   3   0.934  -8.553  13.779
   15   1HB   TYR   3          1HB       TYR   3  -0.590 -10.439  14.182
   16   2HB   TYR   3          2HB       TYR   3  -1.841  -9.377  14.798
   17    HD1  TYR   3           HD1      TYR   3   0.166  -9.629  11.625
   18    HD2  TYR   3           HD2      TYR   3  -3.690  -9.192  13.425
   19    HE1  TYR   3           HE1      TYR   3  -0.907  -9.547   9.322
   20    HE2  TYR   3           HE2      TYR   3  -4.751  -9.110  11.115
   21    HH   TYR   3           HH       TYR   3  -4.205  -9.922   8.857
   22    H    VAL   4           H        VAL   4   0.980  -6.775  12.504
   23    HA   VAL   4           HA       VAL   4  -1.375  -5.095  12.395
   24    HB   VAL   4           HB       VAL   4  -0.100  -4.162  14.251
   25   1HG1  VAL   4          1HG1      VAL   4   2.164  -3.910  12.243
   26   2HG1  VAL   4          2HG1      VAL   4   2.140  -3.167  13.860
   27   3HG1  VAL   4          3HG1      VAL   4   2.134  -4.939  13.695
   28   1HG2  VAL   4          1HG2      VAL   4  -1.030  -2.791  11.991
   29   2HG2  VAL   4          2HG2      VAL   4  -0.732  -2.117  13.611
   30   3HG2  VAL   4          3HG2      VAL   4   0.541  -2.044  12.369
   31    H    GLY   5           H        GLY   5  -1.755  -4.549  10.302
   32   1HA   GLY   5          1HA       GLY   5  -0.971  -5.399   8.077
   33   2HA   GLY   5          2HA       GLY   5   0.551  -4.616   8.452
   34    H    LEU   6           H        LEU   6  -1.686  -2.679   9.963
   35    HA   LEU   6           HA       LEU   6  -2.169  -1.103   7.534
   36   1HB   LEU   6          1HB       LEU   6  -3.950  -0.026   9.024
   37   2HB   LEU   6          2HB       LEU   6  -4.257  -1.608   8.335
   38    HG   LEU   6           HG       LEU   6  -4.974  -1.308  10.721
   39   1HD1  LEU   6          1HD1      LEU   6  -3.626  -3.512   9.485
   40   2HD1  LEU   6          2HD1      LEU   6  -3.249  -3.499  11.224
   41   3HD1  LEU   6          3HD1      LEU   6  -4.944  -3.523  10.681
   42   1HD2  LEU   6          1HD2      LEU   6  -1.986  -1.192  11.195
   43   2HD2  LEU   6          2HD2      LEU   6  -3.204   0.042  11.598
   44   3HD2  LEU   6          3HD2      LEU   6  -3.192  -1.514  12.463
   45    H    SER   7           H        SER   7   0.400  -0.998   8.518
   46    HA   SER   7           HA       SER   7   0.478   1.736   9.321
   47   1HB   SER   7          1HB       SER   7   1.490   1.533  11.413
   48   2HB   SER   7          2HB       SER   7   0.355   0.199  11.459
   49    HG   SER   7           HG       SER   7   2.014  -1.277  11.038
   50    H    ALA   8           H        ALA   8   3.328   1.520  10.199
   51    HA   ALA   8           HA       ALA   8   4.541   1.663   7.685
   52   1HB   ALA   8          1HB       ALA   8   5.202   2.696   9.969
   53   2HB   ALA   8          2HB       ALA   8   5.995   1.136  10.289
   54   3HB   ALA   8          3HB       ALA   8   6.510   2.128   8.904
   55    H    ASN   9           H        ASN   9   6.998   0.065   8.713
   56    HA   ASN   9           HA       ASN   9   7.901  -1.860   8.291
   57   1HB   ASN   9          1HB       ASN   9   5.199  -2.738   9.366
   58   2HB   ASN   9          2HB       ASN   9   6.308  -3.955   8.766
   59   2HD2  ASN   9          2HD2      ASN   9   5.988  -1.231  10.994
   60   1HD2  ASN   9          1HD2      ASN   9   7.135  -1.763  12.178
   61    H    GLN  10           H        GLN  10   4.652  -3.192   7.509
   62    HA   GLN  10           HA       GLN  10   5.416  -4.239   5.106
   63   1HB   GLN  10          1HB       GLN  10   3.219  -4.463   6.660
   64   2HB   GLN  10          2HB       GLN  10   2.554  -3.390   5.445
   65   1HG   GLN  10          1HG       GLN  10   2.191  -5.241   4.177
   66   2HG   GLN  10          2HG       GLN  10   3.921  -5.283   3.904
   67   2HE2  GLN  10          2HE2      GLN  10   1.416  -6.257   6.223
   68   1HE2  GLN  10          1HE2      GLN  10   2.140  -7.749   6.724
   69    H    CYS  11           H        CYS  11   3.921  -1.051   5.871
   70    HA   CYS  11           HA       CYS  11   4.319  -0.333   3.059
   71   1HB   CYS  11          1HB       CYS  11   2.578   1.300   4.847
   72   2HB   CYS  11          2HB       CYS  11   2.493   1.052   3.114
   73    H    ALA  12           H        ALA  12   6.578  -0.404   4.684
   74    HA   ALA  12           HA       ALA  12   6.937   2.392   5.511
   75   1HB   ALA  12          1HB       ALA  12   9.097   0.903   6.458
   76   2HB   ALA  12          2HB       ALA  12   7.670   1.397   7.399
   77   3HB   ALA  12          3HB       ALA  12   7.715  -0.206   6.628
   78    H    VAL  13           H        VAL  13   6.900   1.914   2.765
   79    HA   VAL  13           HA       VAL  13   9.615   1.437   1.910
   80    HB   VAL  13           HB       VAL  13   7.584   2.502   0.042
   81   1HG1  VAL  13          1HG1      VAL  13   9.853   0.606   0.065
   82   2HG1  VAL  13          2HG1      VAL  13   8.485   0.134  -0.970
   83   3HG1  VAL  13          3HG1      VAL  13   9.284   1.706  -1.214
   84   1HG2  VAL  13          1HG2      VAL  13   7.115   0.071   1.726
   85   2HG2  VAL  13          2HG2      VAL  13   5.955   1.251   1.069
   86   3HG2  VAL  13          3HG2      VAL  13   6.664   0.011   0.005
   87    HA   PRO  14           HA       PRO  14  10.765   5.604   1.924
   88   1HB   PRO  14          1HB       PRO  14  12.841   5.574   0.146
   89   2HB   PRO  14          2HB       PRO  14  13.000   5.059   1.814
   90   1HG   PRO  14          1HG       PRO  14  12.865   3.404  -0.631
   91   2HG   PRO  14          2HG       PRO  14  13.439   2.961   0.964
   92   1HD   PRO  14          1HD       PRO  14  10.920   2.252  -0.211
   93   2HD   PRO  14          2HD       PRO  14  11.447   1.909   1.425
   94    H    ALA  15           H        ALA  15   9.075   4.251  -0.481
   95    HA   ALA  15           HA       ALA  15   7.654   5.331  -1.866
   96   1HB   ALA  15          1HB       ALA  15   9.260   7.842  -2.055
   97   2HB   ALA  15          2HB       ALA  15   7.499   7.617  -1.928
   98   3HB   ALA  15          3HB       ALA  15   8.520   7.481  -0.477
   99    H    LYS  16           H        LYS  16  11.093   4.998  -2.068
  100    HA   LYS  16           HA       LYS  16  11.057   5.324  -4.966
  101   1HB   LYS  16          1HB       LYS  16  13.505   5.161  -4.782
  102   2HB   LYS  16          2HB       LYS  16  12.849   6.456  -3.801
  103   1HG   LYS  16          1HG       LYS  16  14.530   5.222  -2.504
  104   2HG   LYS  16          2HG       LYS  16  12.951   4.985  -1.782
  105   1HD   LYS  16          1HD       LYS  16  12.786   2.753  -2.528
  106   2HD   LYS  16          2HD       LYS  16  13.901   3.002  -3.857
  107   1HE   LYS  16          1HE       LYS  16  15.304   3.556  -1.385
  108   2HE   LYS  16          2HE       LYS  16  14.481   2.018  -1.214
  109   1HZ   LYS  16          1HZ       LYS  16  15.452   1.522  -3.484
  110   2HZ   LYS  16          2HZ       LYS  16  16.452   2.788  -3.228
  111   3HZ   LYS  16          3HZ       LYS  16  16.478   1.508  -2.213
  112    H    ASP  17           H        ASP  17   9.989   3.040  -2.950
  113    HA   ASP  17           HA       ASP  17  10.999   0.936  -4.688
  114   1HB   ASP  17          1HB       ASP  17  11.349   1.189  -1.834
  115   2HB   ASP  17          2HB       ASP  17  10.251  -0.147  -2.114
  116    H    ARG  18           H        ARG  18   8.485   2.763  -4.384
  117    HA   ARG  18           HA       ARG  18   6.453   1.048  -3.460
  118   1HB   ARG  18          1HB       ARG  18   6.131   3.473  -5.291
  119   2HB   ARG  18          2HB       ARG  18   4.923   2.803  -4.213
  120   1HG   ARG  18          1HG       ARG  18   7.568   4.049  -3.321
  121   2HG   ARG  18          2HG       ARG  18   6.011   4.852  -3.268
  122   1HD   ARG  18          1HD       ARG  18   5.247   2.766  -1.839
  123   2HD   ARG  18          2HD       ARG  18   6.963   2.484  -1.622
  124    HE   ARG  18           HE       ARG  18   6.958   4.219  -0.073
  125   1HH1  ARG  18          1HH1      ARG  18   4.389   4.815  -2.403
  126   2HH1  ARG  18          2HH1      ARG  18   3.844   6.262  -1.624
  127   1HH2  ARG  18          1HH2      ARG  18   6.239   6.129   0.955
  128   2HH2  ARG  18          2HH2      ARG  18   4.903   7.015   0.299
  129    H    VAL  19           H        VAL  19   6.151  -0.875  -4.596
  130    HA   VAL  19           HA       VAL  19   6.651  -1.159  -7.330
  131    HB   VAL  19           HB       VAL  19   4.763  -2.829  -5.674
  132   1HG1  VAL  19          1HG1      VAL  19   5.985  -3.069  -8.292
  133   2HG1  VAL  19          2HG1      VAL  19   6.469  -4.423  -7.242
  134   3HG1  VAL  19          3HG1      VAL  19   4.744  -4.085  -7.520
  135   1HG2  VAL  19          1HG2      VAL  19   7.711  -2.457  -5.407
  136   2HG2  VAL  19          2HG2      VAL  19   6.490  -2.878  -4.183
  137   3HG2  VAL  19          3HG2      VAL  19   7.083  -4.120  -5.311
  138    H    ASP  20           H        ASP  20   4.036   0.323  -5.588
  139    HA   ASP  20           HA       ASP  20   2.155   1.210  -6.198
  140   1HB   ASP  20          1HB       ASP  20   3.274   2.479  -7.877
  141   2HB   ASP  20          2HB       ASP  20   3.561   1.072  -8.881
  142    H    CYS  21           H        CYS  21   0.326  -0.086  -5.952
  143    HA   CYS  21           HA       CYS  21   0.142  -2.538  -7.435
  144   1HB   CYS  21          1HB       CYS  21  -2.249  -2.054  -6.006
  145   2HB   CYS  21          2HB       CYS  21  -0.972  -3.201  -5.653
  146    H    GLY  22           H        GLY  22  -0.591   0.753  -7.933
  147   1HA   GLY  22          1HA       GLY  22  -1.879   0.364 -10.373
  148   2HA   GLY  22          2HA       GLY  22  -1.819   1.856  -9.457
  149    H    TYR  23           H        TYR  23  -3.597   2.518  -8.192
  150    HA   TYR  23           HA       TYR  23  -6.064   1.179  -8.829
  151   1HB   TYR  23          1HB       TYR  23  -4.646   0.404  -6.547
  152   2HB   TYR  23          2HB       TYR  23  -5.593   1.730  -5.900
  153    HD1  TYR  23           HD1      TYR  23  -6.484  -0.879  -8.444
  154    HD2  TYR  23           HD2      TYR  23  -7.268   0.788  -4.583
  155    HE1  TYR  23           HE1      TYR  23  -8.480  -2.431  -8.171
  156    HE2  TYR  23           HE2      TYR  23  -9.261  -0.769  -4.323
  157    HH   TYR  23           HH       TYR  23 -10.557  -2.487  -6.932
  158    HA   PRO  24           HA       PRO  24  -7.336   5.304  -8.476
  159   1HB   PRO  24          1HB       PRO  24 -10.049   4.985  -8.576
  160   2HB   PRO  24          2HB       PRO  24  -9.030   4.981 -10.002
  161   1HG   PRO  24          1HG       PRO  24 -10.328   2.697  -8.647
  162   2HG   PRO  24          2HG       PRO  24  -9.677   2.784 -10.271
  163   1HD   PRO  24          1HD       PRO  24  -8.462   1.520  -8.001
  164   2HD   PRO  24          2HD       PRO  24  -7.761   1.708  -9.596
  165    H    HIS  25           H        HIS  25 -10.094   3.949  -6.835
  166    HA   HIS  25           HA       HIS  25  -9.967   5.814  -4.801
  167   1HB   HIS  25          1HB       HIS  25 -11.541   4.228  -3.623
  168   2HB   HIS  25          2HB       HIS  25 -12.027   4.763  -5.219
  169    HD1  HIS  25           HD1      HIS  25 -13.557   2.620  -5.409
  170    HD2  HIS  25           HD2      HIS  25  -9.445   1.839  -5.127
  171    HE1  HIS  25           HE1      HIS  25 -13.246   0.178  -6.080
  172    HE2  HIS  25           HE2      HIS  25 -10.694  -0.228  -5.940
  173    H    VAL  26           H        VAL  26  -7.798   5.947  -4.013
  174    HA   VAL  26           HA       VAL  26  -7.019   3.619  -2.395
  175    HB   VAL  26           HB       VAL  26  -4.706   4.400  -2.697
  176   1HG1  VAL  26          1HG1      VAL  26  -6.401   3.615  -5.051
  177   2HG1  VAL  26          2HG1      VAL  26  -4.668   3.949  -5.284
  178   3HG1  VAL  26          3HG1      VAL  26  -5.185   2.671  -4.159
  179   1HG2  VAL  26          1HG2      VAL  26  -5.977   6.752  -3.692
  180   2HG2  VAL  26          2HG2      VAL  26  -4.240   6.442  -3.458
  181   3HG2  VAL  26          3HG2      VAL  26  -5.012   6.051  -5.014
  182    H    THR  27           H        THR  27  -7.295   3.954  -0.257
  183    HA   THR  27           HA       THR  27  -6.820   6.680   0.741
  184    HB   THR  27           HB       THR  27  -8.863   6.638   1.951
  185    HG1  THR  27           HG1      THR  27  -9.888   4.516   2.307
  186   1HG2  THR  27          1HG2      THR  27  -9.388   4.947  -0.550
  187   2HG2  THR  27          2HG2      THR  27 -10.659   5.698   0.444
  188   3HG2  THR  27          3HG2      THR  27  -9.501   6.720  -0.443
  189    HA   PRO  28           HA       PRO  28  -4.521   4.825   3.856
  190   1HB   PRO  28          1HB       PRO  28  -5.117   6.234   6.121
  191   2HB   PRO  28          2HB       PRO  28  -4.037   6.832   4.877
  192   1HG   PRO  28          1HG       PRO  28  -6.821   7.639   5.460
  193   2HG   PRO  28          2HG       PRO  28  -5.602   8.490   4.531
  194   1HD   PRO  28          1HD       PRO  28  -7.826   7.006   3.492
  195   2HD   PRO  28          2HD       PRO  28  -6.544   7.759   2.565
  196    H    LYS  29           H        LYS  29  -6.875   3.391   3.234
  197    HA   LYS  29           HA       LYS  29  -6.847   1.599   5.356
  198   1HB   LYS  29          1HB       LYS  29  -8.132   3.661   6.341
  199   2HB   LYS  29          2HB       LYS  29  -9.468   3.073   5.374
  200   1HG   LYS  29          1HG       LYS  29  -8.100   0.922   6.886
  201   2HG   LYS  29          2HG       LYS  29  -8.783   2.160   7.922
  202   1HD   LYS  29          1HD       LYS  29 -10.996   1.897   6.828
  203   2HD   LYS  29          2HD       LYS  29 -10.329   0.722   5.713
  204   1HE   LYS  29          1HE       LYS  29 -10.515  -0.964   7.233
  205   2HE   LYS  29          2HE       LYS  29  -9.717  -0.027   8.480
  206   1HZ   LYS  29          1HZ       LYS  29 -11.808   1.101   8.878
  207   2HZ   LYS  29          2HZ       LYS  29 -12.548   0.209   7.727
  208   3HZ   LYS  29          3HZ       LYS  29 -11.973  -0.512   9.075
  209    H    GLU  30           H        GLU  30  -8.606   3.107   2.624
  210    HA   GLU  30           HA       GLU  30  -9.928   0.663   2.009
  211   1HB   GLU  30          1HB       GLU  30 -10.885   2.947   1.539
  212   2HB   GLU  30          2HB       GLU  30  -9.640   3.194   0.331
  213   1HG   GLU  30          1HG       GLU  30 -10.719   1.900  -1.208
  214   2HG   GLU  30          2HG       GLU  30 -11.021   0.621  -0.048
  215    H    CYS  31           H        CYS  31  -6.987   2.419   0.996
  216    HA   CYS  31           HA       CYS  31  -6.540   0.781  -1.279
  217   1HB   CYS  31          1HB       CYS  31  -5.510   2.790  -1.552
  218   2HB   CYS  31          2HB       CYS  31  -5.097   2.951   0.143
  219    H    ASN  32           H        ASN  32  -5.868   0.686   2.200
  220    HA   ASN  32           HA       ASN  32  -3.984  -1.467   1.823
  221   1HB   ASN  32          1HB       ASN  32  -3.127  -0.740   3.815
  222   2HB   ASN  32          2HB       ASN  32  -4.263   0.592   3.741
  223   2HD2  ASN  32          2HD2      ASN  32  -6.583  -0.076   4.367
  224   1HD2  ASN  32          1HD2      ASN  32  -6.751  -0.983   5.833
  225    H    ASN  33           H        ASN  33  -7.274  -1.126   1.785
  226    HA   ASN  33           HA       ASN  33  -7.802  -3.387   3.517
  227   1HB   ASN  33          1HB       ASN  33  -9.386  -1.626   3.895
  228   2HB   ASN  33          2HB       ASN  33  -9.530  -1.264   2.186
  229   2HD2  ASN  33          2HD2      ASN  33 -10.964  -2.708   4.779
  230   1HD2  ASN  33          1HD2      ASN  33 -12.080  -3.775   3.993
  231    H    ARG  34           H        ARG  34  -8.110  -2.144   0.135
  232    HA   ARG  34           HA       ARG  34  -9.478  -4.270  -0.920
  233   1HB   ARG  34          1HB       ARG  34  -8.572  -1.907  -1.904
  234   2HB   ARG  34          2HB       ARG  34  -7.339  -2.949  -2.587
  235   1HG   ARG  34          1HG       ARG  34 -10.355  -3.155  -2.995
  236   2HG   ARG  34          2HG       ARG  34  -9.149  -2.765  -4.205
  237   1HD   ARG  34          1HD       ARG  34  -8.118  -5.100  -3.709
  238   2HD   ARG  34          2HD       ARG  34  -9.592  -5.447  -2.827
  239    HE   ARG  34           HE       ARG  34 -10.063  -4.404  -5.530
  240   1HH1  ARG  34          1HH1      ARG  34  -9.522  -7.293  -3.595
  241   2HH1  ARG  34          2HH1      ARG  34 -10.261  -8.357  -4.745
  242   1HH2  ARG  34          1HH2      ARG  34 -11.037  -5.807  -7.048
  243   2HH2  ARG  34          2HH2      ARG  34 -11.128  -7.506  -6.722
  244    H    GLY  35           H        GLY  35  -6.101  -3.920   0.056
  245   1HA   GLY  35          1HA       GLY  35  -5.500  -6.572  -1.115
  246   2HA   GLY  35          2HA       GLY  35  -5.032  -6.098   0.506
  247    H    CYS  36           H        CYS  36  -3.616  -4.070   0.704
  248    HA   CYS  36           HA       CYS  36  -1.316  -4.401  -0.739
  249   1HB   CYS  36          1HB       CYS  36  -3.124  -3.245  -2.438
  250   2HB   CYS  36          2HB       CYS  36  -2.328  -1.834  -1.770
  251    H    CYS  37           H        CYS  37  -0.629  -1.471  -0.822
  252    HA   CYS  37           HA       CYS  37  -0.996  -0.827   2.009
  253   1HB   CYS  37          1HB       CYS  37   1.548  -1.059   0.456
  254   2HB   CYS  37          2HB       CYS  37   1.426   0.187   1.682
  255    H    PHE  38           H        PHE  38  -1.078   1.485   2.433
  256    HA   PHE  38           HA       PHE  38  -1.451   3.061  -0.016
  257   1HB   PHE  38          1HB       PHE  38  -3.533   2.709   1.283
  258   2HB   PHE  38          2HB       PHE  38  -2.715   3.096   2.784
  259    HD1  PHE  38           HD1      PHE  38  -4.117   4.493  -0.309
  260    HD2  PHE  38           HD2      PHE  38  -2.348   5.380   3.444
  261    HE1  PHE  38           HE1      PHE  38  -4.819   6.892  -0.545
  262    HE2  PHE  38           HE2      PHE  38  -3.049   7.779   3.208
  263    HZ   PHE  38           HZ       PHE  38  -4.276   8.506   1.216
  264    H    ASP  39           H        ASP  39  -1.306   5.574   0.621
  265    HA   ASP  39           HA       ASP  39   0.368   6.287   2.701
  266   1HB   ASP  39          1HB       ASP  39   2.214   5.224   1.609
  267   2HB   ASP  39          2HB       ASP  39   1.693   5.752   0.022
  268    H    SER  40           H        SER  40   0.493   8.630   2.771
  269    HA   SER  40           HA       SER  40  -0.520   9.974   0.401
  270   1HB   SER  40          1HB       SER  40  -1.952  11.417   1.820
  271   2HB   SER  40          2HB       SER  40  -2.421   9.733   1.941
  272    HG   SER  40           HG       SER  40  -2.029   9.798   4.039
  273    H    ARG  41           H        ARG  41   2.101   9.506   2.170
  274    HA   ARG  41           HA       ARG  41   2.773  11.920   3.284
  275   1HB   ARG  41          1HB       ARG  41   3.969   9.487   3.143
  276   2HB   ARG  41          2HB       ARG  41   4.917  10.301   1.915
  277   1HG   ARG  41          1HG       ARG  41   5.051  12.223   3.800
  278   2HG   ARG  41          2HG       ARG  41   4.745  10.870   4.871
  279   1HD   ARG  41          1HD       ARG  41   6.685   9.742   3.332
  280   2HD   ARG  41          2HD       ARG  41   7.143  11.422   3.143
  281    HE   ARG  41           HE       ARG  41   6.781  11.246   5.858
  282   1HH1  ARG  41          1HH1      ARG  41   8.585   9.261   3.580
  283   2HH1  ARG  41          2HH1      ARG  41   9.774   8.780   4.745
  284   1HH2  ARG  41          1HH2      ARG  41   8.350  10.613   7.394
  285   2HH2  ARG  41          2HH2      ARG  41   9.640   9.555   6.928
  286    H    ILE  42           H        ILE  42   3.398  10.596  -0.039
  287    HA   ILE  42           HA       ILE  42   3.581  13.337  -0.998
  288    HB   ILE  42           HB       ILE  42   5.564  12.121  -2.442
  289   1HG1  ILE  42          1HG1      ILE  42   7.127  11.169  -0.759
  290   2HG1  ILE  42          2HG1      ILE  42   5.849  11.216   0.439
  291   1HG2  ILE  42          1HG2      ILE  42   5.586  13.986  -0.077
  292   2HG2  ILE  42          2HG2      ILE  42   7.089  13.512  -0.903
  293   3HG2  ILE  42          3HG2      ILE  42   5.805  14.351  -1.805
  294   1HD1  ILE  42          1HD1      ILE  42   4.984   9.922  -2.069
  295   2HD1  ILE  42          2HD1      ILE  42   6.362   9.099  -1.299
  296   3HD1  ILE  42          3HD1      ILE  42   4.851   9.346  -0.391
  297    HA   PRO  43           HA       PRO  43   1.096  11.472  -4.018
  298   1HB   PRO  43          1HB       PRO  43   0.818  13.604  -5.706
  299   2HB   PRO  43          2HB       PRO  43  -0.155  13.390  -4.264
  300   1HG   PRO  43          1HG       PRO  43   2.096  15.251  -4.723
  301   2HG   PRO  43          2HG       PRO  43   0.860  15.308  -3.482
  302   1HD   PRO  43          1HD       PRO  43   3.580  14.456  -3.157
  303   2HD   PRO  43          2HD       PRO  43   2.313  14.404  -1.947
  304    H    GLY  44           H        GLY  44   3.995  13.175  -4.967
  305   1HA   GLY  44          1HA       GLY  44   5.644  12.442  -6.346
  306   2HA   GLY  44          2HA       GLY  44   4.357  12.520  -7.533
  307    H    VAL  45           H        VAL  45   4.901  10.262  -4.739
  308    HA   VAL  45           HA       VAL  45   5.450   8.106  -6.580
  309    HB   VAL  45           HB       VAL  45   6.268   6.985  -4.779
  310   1HG1  VAL  45          1HG1      VAL  45   7.104   9.516  -4.976
  311   2HG1  VAL  45          2HG1      VAL  45   6.455   9.584  -3.320
  312   3HG1  VAL  45          3HG1      VAL  45   7.723   8.404  -3.731
  313   1HG2  VAL  45          1HG2      VAL  45   4.214   8.425  -3.076
  314   2HG2  VAL  45          2HG2      VAL  45   4.268   6.698  -3.504
  315   3HG2  VAL  45          3HG2      VAL  45   5.491   7.381  -2.406
  316    HA   PRO  46           HA       PRO  46   1.508   6.330  -6.479
  317   1HB   PRO  46          1HB       PRO  46   1.934   3.645  -6.204
  318   2HB   PRO  46          2HB       PRO  46   2.149   4.499  -7.719
  319   1HG   PRO  46          1HG       PRO  46   4.207   3.483  -5.856
  320   2HG   PRO  46          2HG       PRO  46   4.380   3.945  -7.537
  321   1HD   PRO  46          1HD       PRO  46   5.190   5.469  -5.246
  322   2HD   PRO  46          2HD       PRO  46   5.257   5.979  -6.921
  323    H    TRP  47           H        TRP  47   0.621   7.405  -4.688
  324    HA   TRP  47           HA       TRP  47   0.897   7.010  -2.129
  325   1HB   TRP  47          1HB       TRP  47  -1.541   7.336  -3.797
  326   2HB   TRP  47          2HB       TRP  47  -1.781   6.907  -2.114
  327    HD1  TRP  47           HD1      TRP  47   1.148   9.232  -3.016
  328    HE1  TRP  47           HE1      TRP  47   0.764  11.670  -2.083
  329    HE3  TRP  47           HE3      TRP  47  -3.649   8.467  -1.516
  330    HZ2  TRP  47           HZ2      TRP  47  -1.454  12.976  -0.849
  331    HZ3  TRP  47           HZ3      TRP  47  -4.853  10.375  -0.456
  332    HH2  TRP  47           HH2      TRP  47  -3.832  12.569  -0.114
  333    H    CYS  48           H        CYS  48  -1.130   4.768  -4.164
  334    HA   CYS  48           HA       CYS  48  -1.045   2.832  -2.020
  335   1HB   CYS  48          1HB       CYS  48  -3.096   3.434  -3.468
  336   2HB   CYS  48          2HB       CYS  48  -2.349   2.443  -4.706
  337    H    PHE  49           H        PHE  49   0.421   1.147  -1.985
  338    HA   PHE  49           HA       PHE  49   1.557   0.245  -4.490
  339   1HB   PHE  49          1HB       PHE  49   3.879   0.459  -3.315
  340   2HB   PHE  49          2HB       PHE  49   3.164   1.960  -3.869
  341    HD1  PHE  49           HD1      PHE  49   3.382  -0.190  -0.832
  342    HD2  PHE  49           HD2      PHE  49   2.952   3.734  -2.390
  343    HE1  PHE  49           HE1      PHE  49   3.556   0.751   1.489
  344    HE2  PHE  49           HE2      PHE  49   3.126   4.674  -0.069
  345    HZ   PHE  49           HZ       PHE  49   3.427   3.171   1.842
  346    H    LYS  50           H        LYS  50   3.067  -1.716  -4.048
  347    HA   LYS  50           HA       LYS  50   1.610  -3.504  -2.388
  348   1HB   LYS  50          1HB       LYS  50   4.271  -4.005  -3.740
  349   2HB   LYS  50          2HB       LYS  50   3.071  -5.186  -3.256
  350   1HG   LYS  50          1HG       LYS  50   1.435  -4.106  -4.871
  351   2HG   LYS  50          2HG       LYS  50   2.725  -3.051  -5.413
  352   1HD   LYS  50          1HD       LYS  50   2.922  -4.759  -6.985
  353   2HD   LYS  50          2HD       LYS  50   4.050  -5.336  -5.774
  354   1HE   LYS  50          1HE       LYS  50   2.528  -6.964  -4.940
  355   2HE   LYS  50          2HE       LYS  50   1.131  -6.146  -5.610
  356   1HZ   LYS  50          1HZ       LYS  50   2.153  -6.655  -7.830
  357   2HZ   LYS  50          2HZ       LYS  50   3.169  -7.672  -7.054
  358   3HZ   LYS  50          3HZ       LYS  50   1.557  -7.932  -7.005
  359    HA   PRO  51           HA       PRO  51   3.966  -3.339   1.224
  360   1HB   PRO  51          1HB       PRO  51   4.105  -5.935   2.067
  361   2HB   PRO  51          2HB       PRO  51   2.682  -4.934   2.278
  362   1HG   PRO  51          1HG       PRO  51   3.139  -7.123   0.344
  363   2HG   PRO  51          2HG       PRO  51   1.622  -6.410   0.858
  364   1HD   PRO  51          1HD       PRO  51   2.988  -5.940  -1.621
  365   2HD   PRO  51          2HD       PRO  51   1.533  -5.141  -1.057
  366    H    LEU  52           H        LEU  52   6.007  -2.855   1.747
  367    HA   LEU  52           HA       LEU  52   8.068  -3.222   0.122
  368   1HB   LEU  52          1HB       LEU  52   8.419  -1.878   1.964
  369   2HB   LEU  52          2HB       LEU  52   7.883  -3.096   3.104
  370    HG   LEU  52           HG       LEU  52  10.447  -3.365   1.523
  371   1HD1  LEU  52          1HD1      LEU  52   9.954  -1.381   3.411
  372   2HD1  LEU  52          2HD1      LEU  52  10.803  -2.654   4.320
  373   3HD1  LEU  52          3HD1      LEU  52  11.543  -1.962   2.857
  374   1HD2  LEU  52          1HD2      LEU  52   9.009  -5.128   3.215
  375   2HD2  LEU  52          2HD2      LEU  52  10.610  -5.360   2.473
  376   3HD2  LEU  52          3HD2      LEU  52  10.476  -4.629   4.091
  377    H    GLN  53           H        GLN  53   9.545  -4.784  -0.504
  378    HA   GLN  53           HA       GLN  53   8.694  -7.421  -0.283
  379   1HB   GLN  53          1HB       GLN  53  10.880  -5.931  -1.570
  380   2HB   GLN  53          2HB       GLN  53  11.397  -7.519  -1.040
  381   1HG   GLN  53          1HG       GLN  53  10.476  -8.258  -2.996
  382   2HG   GLN  53          2HG       GLN  53   8.947  -8.129  -2.150
  383   2HE2  GLN  53          2HE2      GLN  53   8.465  -5.508  -1.953
  384   1HE2  GLN  53          1HE2      GLN  53   8.302  -4.753  -3.504
  385    H    GLU  54           H        GLU  54   8.467  -7.621   2.104
  386    HA   GLU  54           HA       GLU  54  10.338  -7.269   3.956
  387   1HB   GLU  54          1HB       GLU  54   9.122  -8.751   5.314
  388   2HB   GLU  54          2HB       GLU  54   7.940  -8.294   4.103
  389   1HG   GLU  54          1HG       GLU  54   8.701 -10.382   2.774
  390   2HG   GLU  54          2HG       GLU  54   9.571 -10.866   4.216
  391    H    ALA  55           H        ALA  55  12.362  -8.034   4.451
  392    HA   ALA  55           HA       ALA  55  13.178 -10.667   3.987
  393   1HB   ALA  55          1HB       ALA  55  14.285 -10.633   1.985
  394   2HB   ALA  55          2HB       ALA  55  13.082  -9.376   1.605
  395   3HB   ALA  55          3HB       ALA  55  14.718  -8.913   2.132
  396    H    GLU  56           H        GLU  56  14.725 -11.013   5.507
  397    HA   GLU  56           HA       GLU  56  16.220 -10.630   7.034
  398   1HB   GLU  56          1HB       GLU  56  17.163  -8.480   5.089
  399   2HB   GLU  56          2HB       GLU  56  18.077  -8.982   6.497
  400   1HG   GLU  56          1HG       GLU  56  19.006 -10.374   4.866
  401   2HG   GLU  56          2HG       GLU  56  17.757 -11.423   5.507
  402    H    CYS  57           H        CYS  57  17.176  -8.875   8.636
  403    HA   CYS  57           HA       CYS  57  16.881  -7.181  10.017
  404   1HB   CYS  57          1HB       CYS  57  14.665  -6.082   8.289
  405   2HB   CYS  57          2HB       CYS  57  15.629  -5.231   9.480
  406    H    THR  58           H        THR  58  13.547  -7.745   8.653
  407    HA   THR  58           HA       THR  58  12.741  -8.632  11.346
  408    HB   THR  58           HB       THR  58  11.843  -6.379  10.581
  409    HG1  THR  58           HG1      THR  58  10.518  -7.583  12.001
  410   1HG2  THR  58          1HG2      THR  58  11.262  -7.923   8.175
  411   2HG2  THR  58          2HG2      THR  58   9.741  -7.353   8.903
  412   3HG2  THR  58          3HG2      THR  58  11.009  -6.185   8.462
  413    H    PHE  59           H        PHE  59  11.133 -10.308  11.485
  414    HA   PHE  59           HA       PHE  59  11.656 -12.533  10.117
  415   1HB   PHE  59          1HB       PHE  59  10.113 -12.378  12.049
  416   2HB   PHE  59          2HB       PHE  59   9.002 -11.372  11.140
  417    HD1  PHE  59           HD1      PHE  59  10.421 -14.797  11.299
  418    HD2  PHE  59           HD2      PHE  59   7.261 -12.335   9.896
  419    HE1  PHE  59           HE1      PHE  59   9.137 -16.840  10.605
  420    HE2  PHE  59           HE2      PHE  59   5.978 -14.378   9.203
  421    HZ   PHE  59           HZ       PHE  59   6.931 -16.606   9.566

  No H/Q in entry =         421
  Start of MODEL   80
    1    H    GLU   1           H        GLU   1   2.975  -4.301  18.274
    2    HA   GLU   1           HA       GLU   1   2.945  -3.517  20.623
    3   1HB   GLU   1          1HB       GLU   1   0.500  -5.049  20.512
    4   2HB   GLU   1          2HB       GLU   1   1.555  -5.789  21.699
    5   1HG   GLU   1          1HG       GLU   1   1.893  -3.109  22.294
    6   2HG   GLU   1          2HG       GLU   1   0.228  -3.122  21.745
    7    H    GLU   2           H        GLU   2   2.404  -7.038  19.855
    8    HA   GLU   2           HA       GLU   2   5.204  -7.424  20.583
    9   1HB   GLU   2          1HB       GLU   2   2.953  -8.533  21.818
   10   2HB   GLU   2          2HB       GLU   2   3.490  -9.819  20.756
   11   1HG   GLU   2          1HG       GLU   2   5.698  -8.467  22.221
   12   2HG   GLU   2          2HG       GLU   2   4.548  -9.280  23.264
   13    H    TYR   3           H        TYR   3   2.443  -8.700  18.604
   14    HA   TYR   3           HA       TYR   3   4.447  -9.547  16.620
   15   1HB   TYR   3          1HB       TYR   3   3.360 -11.511  17.565
   16   2HB   TYR   3          2HB       TYR   3   1.821 -10.684  17.706
   17    HD1  TYR   3           HD1      TYR   3   4.234 -11.541  14.948
   18    HD2  TYR   3           HD2      TYR   3   0.166 -11.418  16.268
   19    HE1  TYR   3           HE1      TYR   3   3.480 -12.556  12.743
   20    HE2  TYR   3           HE2      TYR   3  -0.574 -12.434  14.058
   21    HH   TYR   3           HH       TYR   3   1.790 -13.090  11.495
   22    H    VAL   4           H        VAL   4   4.427  -8.007  15.037
   23    HA   VAL   4           HA       VAL   4   1.790  -7.345  13.942
   24    HB   VAL   4           HB       VAL   4   2.923  -5.574  15.475
   25   1HG1  VAL   4          1HG1      VAL   4   5.080  -5.929  13.903
   26   2HG1  VAL   4          2HG1      VAL   4   4.293  -4.601  13.017
   27   3HG1  VAL   4          3HG1      VAL   4   4.723  -4.395  14.732
   28   1HG2  VAL   4          1HG2      VAL   4   1.152  -5.457  13.300
   29   2HG2  VAL   4          2HG2      VAL   4   1.384  -4.232  14.571
   30   3HG2  VAL   4          3HG2      VAL   4   2.294  -4.116  13.046
   31    H    GLY   5           H        GLY   5   2.910  -5.640  11.872
   32   1HA   GLY   5          1HA       GLY   5   4.208  -7.736  10.253
   33   2HA   GLY   5          2HA       GLY   5   4.880  -6.119  10.323
   34    H    LEU   6           H        LEU   6   1.476  -5.991  10.714
   35    HA   LEU   6           HA       LEU   6   1.162  -5.458   7.840
   36   1HB   LEU   6          1HB       LEU   6  -1.292  -6.048   9.287
   37   2HB   LEU   6          2HB       LEU   6  -0.702  -6.659   7.754
   38    HG   LEU   6           HG       LEU   6   0.919  -8.046   9.390
   39   1HD1  LEU   6          1HD1      LEU   6  -1.129  -6.954  11.139
   40   2HD1  LEU   6          2HD1      LEU   6  -1.125  -8.734  11.152
   41   3HD1  LEU   6          3HD1      LEU   6   0.365  -7.838  11.534
   42   1HD2  LEU   6          1HD2      LEU   6  -1.770  -8.595   8.229
   43   2HD2  LEU   6          2HD2      LEU   6  -0.192  -9.346   7.890
   44   3HD2  LEU   6          3HD2      LEU   6  -1.092  -9.790   9.361
   45    H    SER   7           H        SER   7   2.246  -3.479   9.444
   46    HA   SER   7           HA       SER   7   0.330  -1.474   9.095
   47   1HB   SER   7          1HB       SER   7   0.203  -0.730  11.507
   48   2HB   SER   7          2HB       SER   7  -0.657  -2.219  11.168
   49    HG   SER   7           HG       SER   7   0.482  -2.910  12.870
   50    H    ALA   8           H        ALA   8   1.861  -0.223   8.029
   51    HA   ALA   8           HA       ALA   8   3.503   1.281   7.895
   52   1HB   ALA   8          1HB       ALA   8   4.532   2.160   9.795
   53   2HB   ALA   8          2HB       ALA   8   4.575   0.587  10.627
   54   3HB   ALA   8          3HB       ALA   8   3.039   1.474  10.481
   55    H    ASN   9           H        ASN   9   4.645  -1.566   9.854
   56    HA   ASN   9           HA       ASN   9   7.138  -1.690   8.784
   57   1HB   ASN   9          1HB       ASN   9   5.309  -3.500  10.234
   58   2HB   ASN   9          2HB       ASN   9   6.365  -4.390   9.155
   59   2HD2  ASN   9          2HD2      ASN   9   7.442  -5.309  10.897
   60   1HD2  ASN   9          1HD2      ASN   9   8.607  -4.448  11.847
   61    H    GLN  10           H        GLN  10   3.981  -2.679   7.478
   62    HA   GLN  10           HA       GLN  10   5.178  -4.235   5.389
   63   1HB   GLN  10          1HB       GLN  10   2.776  -4.412   6.657
   64   2HB   GLN  10          2HB       GLN  10   2.287  -3.463   5.268
   65   1HG   GLN  10          1HG       GLN  10   3.467  -5.204   3.793
   66   2HG   GLN  10          2HG       GLN  10   3.665  -6.185   5.231
   67   2HE2  GLN  10          2HE2      GLN  10   1.066  -4.151   3.878
   68   1HE2  GLN  10          1HE2      GLN  10  -0.198  -5.332   3.952
   69    H    CYS  11           H        CYS  11   3.715  -1.008   5.900
   70    HA   CYS  11           HA       CYS  11   4.312  -0.411   3.094
   71   1HB   CYS  11          1HB       CYS  11   2.563   1.407   4.658
   72   2HB   CYS  11          2HB       CYS  11   2.517   0.976   2.960
   73    H    ALA  12           H        ALA  12   6.471  -0.509   4.829
   74    HA   ALA  12           HA       ALA  12   6.869   2.248   5.731
   75   1HB   ALA  12          1HB       ALA  12   7.989  -0.445   6.462
   76   2HB   ALA  12          2HB       ALA  12   9.000   0.998   6.710
   77   3HB   ALA  12          3HB       ALA  12   7.416   0.871   7.514
   78    H    VAL  13           H        VAL  13   6.764   1.866   2.936
   79    HA   VAL  13           HA       VAL  13   9.524   1.621   2.069
   80    HB   VAL  13           HB       VAL  13   7.488   2.407   0.115
   81   1HG1  VAL  13          1HG1      VAL  13   9.866   0.748   0.326
   82   2HG1  VAL  13          2HG1      VAL  13   8.549  -0.111  -0.508
   83   3HG1  VAL  13          3HG1      VAL  13   9.104   1.469  -1.112
   84   1HG2  VAL  13          1HG2      VAL  13   7.053   0.000   1.879
   85   2HG2  VAL  13          2HG2      VAL  13   5.879   1.213   1.313
   86   3HG2  VAL  13          3HG2      VAL  13   6.519  -0.002   0.180
   87    HA   PRO  14           HA       PRO  14  10.168   5.890   1.902
   88   1HB   PRO  14          1HB       PRO  14  12.053   6.101  -0.065
   89   2HB   PRO  14          2HB       PRO  14  12.431   5.617   1.577
   90   1HG   PRO  14          1HG       PRO  14  12.262   3.946  -0.857
   91   2HG   PRO  14          2HG       PRO  14  13.035   3.582   0.673
   92   1HD   PRO  14          1HD       PRO  14  10.519   2.572  -0.261
   93   2HD   PRO  14          2HD       PRO  14  11.237   2.301   1.314
   94    H    ALA  15           H        ALA  15  10.132   4.734  -1.444
   95    HA   ALA  15           HA       ALA  15   7.789   5.687  -2.265
   96   1HB   ALA  15          1HB       ALA  15   9.569   7.937  -1.578
   97   2HB   ALA  15          2HB       ALA  15   7.806   7.907  -1.821
   98   3HB   ALA  15          3HB       ALA  15   8.896   8.033  -3.223
   99    H    LYS  16           H        LYS  16  11.242   5.277  -2.732
  100    HA   LYS  16           HA       LYS  16  10.916   5.171  -5.623
  101   1HB   LYS  16          1HB       LYS  16  13.329   5.078  -5.704
  102   2HB   LYS  16          2HB       LYS  16  12.828   6.402  -4.672
  103   1HG   LYS  16          1HG       LYS  16  14.524   5.372  -3.395
  104   2HG   LYS  16          2HG       LYS  16  13.063   4.703  -2.697
  105   1HD   LYS  16          1HD       LYS  16  13.398   2.590  -3.650
  106   2HD   LYS  16          2HD       LYS  16  14.294   3.224  -5.016
  107   1HE   LYS  16          1HE       LYS  16  16.248   3.691  -3.558
  108   2HE   LYS  16          2HE       LYS  16  15.352   3.161  -2.149
  109   1HZ   LYS  16          1HZ       LYS  16  15.118   0.994  -3.298
  110   2HZ   LYS  16          2HZ       LYS  16  16.162   1.517  -4.440
  111   3HZ   LYS  16          3HZ       LYS  16  16.653   1.372  -2.889
  112    H    ASP  17           H        ASP  17  10.183   3.191  -3.103
  113    HA   ASP  17           HA       ASP  17  11.060   0.844  -4.595
  114   1HB   ASP  17          1HB       ASP  17  11.205   1.529  -1.757
  115   2HB   ASP  17          2HB       ASP  17  10.252   0.074  -1.970
  116    H    ARG  18           H        ARG  18   8.537   2.792  -4.462
  117    HA   ARG  18           HA       ARG  18   6.493   1.104  -3.487
  118   1HB   ARG  18          1HB       ARG  18   6.141   3.484  -5.365
  119   2HB   ARG  18          2HB       ARG  18   4.977   2.859  -4.214
  120   1HG   ARG  18          1HG       ARG  18   7.649   4.160  -3.504
  121   2HG   ARG  18          2HG       ARG  18   6.078   4.923  -3.364
  122   1HD   ARG  18          1HD       ARG  18   5.434   2.929  -1.813
  123   2HD   ARG  18          2HD       ARG  18   7.146   2.556  -1.769
  124    HE   ARG  18           HE       ARG  18   7.400   4.306  -0.258
  125   1HH1  ARG  18          1HH1      ARG  18   4.608   4.997  -2.285
  126   2HH1  ARG  18          2HH1      ARG  18   4.216   6.470  -1.463
  127   1HH2  ARG  18          1HH2      ARG  18   6.883   6.250   0.827
  128   2HH2  ARG  18          2HH2      ARG  18   5.518   7.188   0.318
  129    H    VAL  19           H        VAL  19   6.107  -0.812  -4.592
  130    HA   VAL  19           HA       VAL  19   6.645  -1.146  -7.322
  131    HB   VAL  19           HB       VAL  19   4.697  -2.788  -5.720
  132   1HG1  VAL  19          1HG1      VAL  19   6.630  -3.319  -7.983
  133   2HG1  VAL  19          2HG1      VAL  19   5.963  -4.633  -6.985
  134   3HG1  VAL  19          3HG1      VAL  19   4.872  -3.589  -7.928
  135   1HG2  VAL  19          1HG2      VAL  19   7.592  -2.346  -5.210
  136   2HG2  VAL  19          2HG2      VAL  19   6.291  -2.844  -4.102
  137   3HG2  VAL  19          3HG2      VAL  19   7.034  -4.036  -5.195
  138    H    ASP  20           H        ASP  20   4.084   0.457  -5.644
  139    HA   ASP  20           HA       ASP  20   2.232   1.383  -6.285
  140   1HB   ASP  20          1HB       ASP  20   3.655   2.316  -8.118
  141   2HB   ASP  20          2HB       ASP  20   3.289   0.922  -9.115
  142    H    CYS  21           H        CYS  21   0.319   0.229  -5.999
  143    HA   CYS  21           HA       CYS  21   0.043  -2.352  -7.190
  144   1HB   CYS  21          1HB       CYS  21  -2.325  -1.183  -5.906
  145   2HB   CYS  21          2HB       CYS  21  -1.539  -2.728  -5.648
  146    H    GLY  22           H        GLY  22  -0.881   0.993  -7.835
  147   1HA   GLY  22          1HA       GLY  22  -1.879   0.317 -10.427
  148   2HA   GLY  22          2HA       GLY  22  -1.793   1.906  -9.693
  149    H    TYR  23           H        TYR  23  -3.463   2.422  -7.945
  150    HA   TYR  23           HA       TYR  23  -6.029   1.349  -8.833
  151   1HB   TYR  23          1HB       TYR  23  -4.738   0.439  -6.552
  152   2HB   TYR  23          2HB       TYR  23  -5.529   1.855  -5.888
  153    HD1  TYR  23           HD1      TYR  23  -6.615  -0.766  -8.357
  154    HD2  TYR  23           HD2      TYR  23  -7.392   1.237  -4.657
  155    HE1  TYR  23           HE1      TYR  23  -8.767  -2.091  -8.084
  156    HE2  TYR  23           HE2      TYR  23  -9.542  -0.095  -4.397
  157    HH   TYR  23           HH       TYR  23 -10.322  -2.708  -6.600
  158    HA   PRO  24           HA       PRO  24  -7.059   5.544  -8.493
  159   1HB   PRO  24          1HB       PRO  24  -9.779   5.384  -8.703
  160   2HB   PRO  24          2HB       PRO  24  -8.707   5.335 -10.088
  161   1HG   PRO  24          1HG       PRO  24 -10.188   3.118  -8.811
  162   2HG   PRO  24          2HG       PRO  24  -9.470   3.182 -10.408
  163   1HD   PRO  24          1HD       PRO  24  -8.421   1.828  -8.107
  164   2HD   PRO  24          2HD       PRO  24  -7.648   1.989  -9.671
  165    H    HIS  25           H        HIS  25  -9.823   4.089  -6.884
  166    HA   HIS  25           HA       HIS  25  -9.704   6.007  -4.840
  167   1HB   HIS  25          1HB       HIS  25 -11.729   5.216  -4.322
  168   2HB   HIS  25          2HB       HIS  25 -11.583   4.276  -5.794
  169    HD1  HIS  25           HD1      HIS  25 -12.257   3.894  -2.270
  170    HD2  HIS  25           HD2      HIS  25 -10.366   1.566  -5.202
  171    HE1  HIS  25           HE1      HIS  25 -12.202   1.509  -1.363
  172    HE2  HIS  25           HE2      HIS  25 -11.078   0.116  -3.232
  173    H    VAL  26           H        VAL  26  -7.774   6.090  -3.703
  174    HA   VAL  26           HA       VAL  26  -7.126   3.637  -2.224
  175    HB   VAL  26           HB       VAL  26  -4.746   4.389  -2.359
  176   1HG1  VAL  26          1HG1      VAL  26  -6.327   3.473  -4.746
  177   2HG1  VAL  26          2HG1      VAL  26  -4.579   3.770  -4.906
  178   3HG1  VAL  26          3HG1      VAL  26  -5.175   2.574  -3.730
  179   1HG2  VAL  26          1HG2      VAL  26  -5.862   6.721  -3.443
  180   2HG2  VAL  26          2HG2      VAL  26  -4.135   6.305  -3.331
  181   3HG2  VAL  26          3HG2      VAL  26  -5.049   5.921  -4.809
  182    H    THR  27           H        THR  27  -7.196   3.891  -0.048
  183    HA   THR  27           HA       THR  27  -6.878   6.627   0.987
  184    HB   THR  27           HB       THR  27  -8.853   6.396   2.290
  185    HG1  THR  27           HG1      THR  27  -8.453   3.569   1.608
  186   1HG2  THR  27          1HG2      THR  27  -9.386   6.326  -0.250
  187   2HG2  THR  27          2HG2      THR  27  -9.568   4.567  -0.049
  188   3HG2  THR  27          3HG2      THR  27 -10.642   5.679   0.833
  189    HA   PRO  28           HA       PRO  28  -4.300   4.910   3.959
  190   1HB   PRO  28          1HB       PRO  28  -4.903   6.228   6.277
  191   2HB   PRO  28          2HB       PRO  28  -3.932   6.932   4.999
  192   1HG   PRO  28          1HG       PRO  28  -6.741   7.502   5.720
  193   2HG   PRO  28          2HG       PRO  28  -5.638   8.465   4.756
  194   1HD   PRO  28          1HD       PRO  28  -7.782   6.824   3.786
  195   2HD   PRO  28          2HD       PRO  28  -6.607   7.694   2.819
  196    H    LYS  29           H        LYS  29  -6.529   3.283   3.407
  197    HA   LYS  29           HA       LYS  29  -6.269   1.466   5.480
  198   1HB   LYS  29          1HB       LYS  29  -7.683   3.427   6.548
  199   2HB   LYS  29          2HB       LYS  29  -9.006   2.677   5.679
  200   1HG   LYS  29          1HG       LYS  29  -7.156   0.955   7.352
  201   2HG   LYS  29          2HG       LYS  29  -8.417   1.883   8.140
  202   1HD   LYS  29          1HD       LYS  29 -10.125   0.816   6.641
  203   2HD   LYS  29          2HD       LYS  29  -8.858  -0.125   5.879
  204   1HE   LYS  29          1HE       LYS  29  -9.701  -1.623   7.498
  205   2HE   LYS  29          2HE       LYS  29  -8.291  -0.958   8.298
  206   1HZ   LYS  29          1HZ       LYS  29 -10.677   0.564   8.691
  207   2HZ   LYS  29          2HZ       LYS  29 -10.751  -0.945   9.311
  208   3HZ   LYS  29          3HZ       LYS  29  -9.563   0.073   9.780
  209    H    GLU  30           H        GLU  30  -8.738   2.836   3.198
  210    HA   GLU  30           HA       GLU  30  -9.751   0.347   2.503
  211   1HB   GLU  30          1HB       GLU  30 -10.427   2.970   2.002
  212   2HB   GLU  30          2HB       GLU  30  -9.844   2.477   0.425
  213   1HG   GLU  30          1HG       GLU  30 -11.445   0.682   0.272
  214   2HG   GLU  30          2HG       GLU  30 -11.827   0.769   1.980
  215    H    CYS  31           H        CYS  31  -7.064   2.341   1.202
  216    HA   CYS  31           HA       CYS  31  -6.664   0.836  -1.118
  217   1HB   CYS  31          1HB       CYS  31  -5.620   2.847  -1.262
  218   2HB   CYS  31          2HB       CYS  31  -5.143   2.863   0.424
  219    H    ASN  32           H        ASN  32  -5.508   0.602   2.281
  220    HA   ASN  32           HA       ASN  32  -3.779  -1.574   1.623
  221   1HB   ASN  32          1HB       ASN  32  -2.806  -0.960   3.597
  222   2HB   ASN  32          2HB       ASN  32  -4.015   0.298   3.758
  223   2HD2  ASN  32          2HD2      ASN  32  -6.102  -0.304   4.704
  224   1HD2  ASN  32          1HD2      ASN  32  -6.152  -1.471   5.983
  225    H    ASN  33           H        ASN  33  -7.078  -1.238   1.845
  226    HA   ASN  33           HA       ASN  33  -7.484  -3.670   3.365
  227   1HB   ASN  33          1HB       ASN  33  -8.913  -1.615   3.813
  228   2HB   ASN  33          2HB       ASN  33  -9.536  -1.727   2.179
  229   2HD2  ASN  33          2HD2      ASN  33 -11.614  -1.915   3.141
  230   1HD2  ASN  33          1HD2      ASN  33 -12.198  -3.431   3.741
  231    H    ARG  34           H        ARG  34  -7.830  -2.130   0.138
  232    HA   ARG  34           HA       ARG  34  -9.354  -4.106  -1.042
  233   1HB   ARG  34          1HB       ARG  34  -8.451  -1.673  -1.837
  234   2HB   ARG  34          2HB       ARG  34  -7.272  -2.661  -2.677
  235   1HG   ARG  34          1HG       ARG  34  -9.212  -2.236  -4.139
  236   2HG   ARG  34          2HG       ARG  34  -9.101  -3.946  -3.772
  237   1HD   ARG  34          1HD       ARG  34 -10.694  -2.754  -1.697
  238   2HD   ARG  34          2HD       ARG  34 -11.287  -2.121  -3.220
  239    HE   ARG  34           HE       ARG  34 -11.044  -4.800  -3.778
  240   1HH1  ARG  34          1HH1      ARG  34 -12.572  -3.056  -1.131
  241   2HH1  ARG  34          2HH1      ARG  34 -13.778  -4.270  -0.859
  242   1HH2  ARG  34          1HH2      ARG  34 -12.635  -6.401  -3.420
  243   2HH2  ARG  34          2HH2      ARG  34 -13.814  -6.185  -2.169
  244    H    GLY  35           H        GLY  35  -6.017  -4.033  -0.030
  245   1HA   GLY  35          1HA       GLY  35  -5.484  -6.503  -1.571
  246   2HA   GLY  35          2HA       GLY  35  -4.980  -6.241   0.087
  247    H    CYS  36           H        CYS  36  -3.590  -4.153   0.452
  248    HA   CYS  36           HA       CYS  36  -1.257  -4.410  -0.935
  249   1HB   CYS  36          1HB       CYS  36  -3.040  -3.190  -2.638
  250   2HB   CYS  36          2HB       CYS  36  -2.214  -1.818  -1.927
  251    H    CYS  37           H        CYS  37  -0.600  -1.468  -0.918
  252    HA   CYS  37           HA       CYS  37  -1.053  -0.910   1.919
  253   1HB   CYS  37          1HB       CYS  37   1.515  -1.218   0.472
  254   2HB   CYS  37          2HB       CYS  37   1.402   0.162   1.546
  255    H    PHE  38           H        PHE  38  -0.964   1.440   2.412
  256    HA   PHE  38           HA       PHE  38  -1.426   3.048  -0.002
  257   1HB   PHE  38          1HB       PHE  38  -3.459   2.703   1.388
  258   2HB   PHE  38          2HB       PHE  38  -2.573   3.090   2.849
  259    HD1  PHE  38           HD1      PHE  38  -4.185   4.463  -0.133
  260    HD2  PHE  38           HD2      PHE  38  -2.065   5.396   3.423
  261    HE1  PHE  38           HE1      PHE  38  -4.874   6.867  -0.353
  262    HE2  PHE  38           HE2      PHE  38  -2.754   7.800   3.203
  263    HZ   PHE  38           HZ       PHE  38  -4.150   8.506   1.318
  264    H    ASP  39           H        ASP  39  -1.200   5.546   0.645
  265    HA   ASP  39           HA       ASP  39   0.534   6.230   2.674
  266   1HB   ASP  39          1HB       ASP  39   2.318   5.074   1.546
  267   2HB   ASP  39          2HB       ASP  39   1.813   5.663  -0.026
  268    H    SER  40           H        SER  40   0.717   8.567   2.719
  269    HA   SER  40           HA       SER  40  -0.234   9.923   0.334
  270   1HB   SER  40          1HB       SER  40  -1.710  11.367   1.675
  271   2HB   SER  40          2HB       SER  40  -2.175   9.687   1.850
  272    HG   SER  40           HG       SER  40  -0.984  11.448   3.744
  273    H    ARG  41           H        ARG  41   2.382   9.418   1.972
  274    HA   ARG  41           HA       ARG  41   3.029  11.862   3.146
  275   1HB   ARG  41          1HB       ARG  41   4.167   9.362   3.096
  276   2HB   ARG  41          2HB       ARG  41   5.234  10.193   1.982
  277   1HG   ARG  41          1HG       ARG  41   4.747  11.907   4.279
  278   2HG   ARG  41          2HG       ARG  41   5.240  10.323   4.844
  279   1HD   ARG  41          1HD       ARG  41   6.771  11.680   2.598
  280   2HD   ARG  41          2HD       ARG  41   7.090  12.113   4.265
  281    HE   ARG  41           HE       ARG  41   7.133   9.289   4.165
  282   1HH1  ARG  41          1HH1      ARG  41   8.944  11.964   2.771
  283   2HH1  ARG  41          2HH1      ARG  41  10.419  11.065   2.640
  284   1HH2  ARG  41          1HH2      ARG  41   9.079   8.102   3.994
  285   2HH2  ARG  41          2HH2      ARG  41  10.496   8.854   3.341
  286    H    ILE  42           H        ILE  42   3.213  10.548  -0.163
  287    HA   ILE  42           HA       ILE  42   3.753  13.181  -1.171
  288    HB   ILE  42           HB       ILE  42   5.666  11.849  -2.583
  289   1HG1  ILE  42          1HG1      ILE  42   7.165  10.794  -0.907
  290   2HG1  ILE  42          2HG1      ILE  42   5.895  10.919   0.294
  291   1HG2  ILE  42          1HG2      ILE  42   5.517  14.158  -1.291
  292   2HG2  ILE  42          2HG2      ILE  42   6.514  13.282  -0.105
  293   3HG2  ILE  42          3HG2      ILE  42   7.077  13.456  -1.785
  294   1HD1  ILE  42          1HD1      ILE  42   5.280   9.584  -2.349
  295   2HD1  ILE  42          2HD1      ILE  42   6.171   8.687  -1.096
  296   3HD1  ILE  42          3HD1      ILE  42   4.540   9.312  -0.754
  297    HA   PRO  43           HA       PRO  43   1.105  11.291  -4.055
  298   1HB   PRO  43          1HB       PRO  43   0.629  13.484  -5.615
  299   2HB   PRO  43          2HB       PRO  43  -0.253  13.149  -4.138
  300   1HG   PRO  43          1HG       PRO  43   1.873  15.147  -4.615
  301   2HG   PRO  43          2HG       PRO  43   0.704  15.078  -3.312
  302   1HD   PRO  43          1HD       PRO  43   3.476  14.358  -3.170
  303   2HD   PRO  43          2HD       PRO  43   2.281  14.179  -1.901
  304    H    GLY  44           H        GLY  44   3.939  13.081  -4.971
  305   1HA   GLY  44          1HA       GLY  44   5.501  12.590  -6.522
  306   2HA   GLY  44          2HA       GLY  44   4.145  12.557  -7.631
  307    H    VAL  45           H        VAL  45   4.271  10.243  -4.945
  308    HA   VAL  45           HA       VAL  45   5.166   8.174  -6.823
  309    HB   VAL  45           HB       VAL  45   6.188   7.118  -5.108
  310   1HG1  VAL  45          1HG1      VAL  45   6.036   9.999  -4.181
  311   2HG1  VAL  45          2HG1      VAL  45   7.099   8.787  -3.426
  312   3HG1  VAL  45          3HG1      VAL  45   7.314   9.216  -5.141
  313   1HG2  VAL  45          1HG2      VAL  45   3.912   8.124  -3.421
  314   2HG2  VAL  45          2HG2      VAL  45   4.478   6.459  -3.694
  315   3HG2  VAL  45          3HG2      VAL  45   5.405   7.552  -2.639
  316    HA   PRO  46           HA       PRO  46   1.348   6.164  -6.505
  317   1HB   PRO  46          1HB       PRO  46   1.921   3.514  -6.158
  318   2HB   PRO  46          2HB       PRO  46   2.041   4.326  -7.706
  319   1HG   PRO  46          1HG       PRO  46   4.210   3.480  -5.884
  320   2HG   PRO  46          2HG       PRO  46   4.304   3.893  -7.584
  321   1HD   PRO  46          1HD       PRO  46   5.108   5.533  -5.373
  322   2HD   PRO  46          2HD       PRO  46   5.093   5.989  -7.065
  323    H    TRP  47           H        TRP  47   0.481   7.263  -4.714
  324    HA   TRP  47           HA       TRP  47   0.889   6.902  -2.145
  325   1HB   TRP  47          1HB       TRP  47  -1.607   7.247  -3.722
  326   2HB   TRP  47          2HB       TRP  47  -1.785   6.839  -2.027
  327    HD1  TRP  47           HD1      TRP  47   1.143   9.109  -3.051
  328    HE1  TRP  47           HE1      TRP  47   0.824  11.564  -2.136
  329    HE3  TRP  47           HE3      TRP  47  -3.618   8.436  -1.398
  330    HZ2  TRP  47           HZ2      TRP  47  -1.335  12.918  -0.852
  331    HZ3  TRP  47           HZ3      TRP  47  -4.760  10.376  -0.325
  332    HH2  TRP  47           HH2      TRP  47  -3.696  12.557  -0.041
  333    H    CYS  48           H        CYS  48  -1.157   4.652  -4.144
  334    HA   CYS  48           HA       CYS  48  -1.036   2.728  -1.978
  335   1HB   CYS  48          1HB       CYS  48  -3.136   3.367  -3.373
  336   2HB   CYS  48          2HB       CYS  48  -2.457   2.308  -4.593
  337    H    PHE  49           H        PHE  49   0.681   1.321  -1.952
  338    HA   PHE  49           HA       PHE  49   1.615   0.314  -4.530
  339   1HB   PHE  49          1HB       PHE  49   3.974   0.531  -3.435
  340   2HB   PHE  49          2HB       PHE  49   3.231   2.034  -3.946
  341    HD1  PHE  49           HD1      PHE  49   3.458  -0.156  -0.930
  342    HD2  PHE  49           HD2      PHE  49   3.171   3.795  -2.452
  343    HE1  PHE  49           HE1      PHE  49   3.709   0.758   1.394
  344    HE2  PHE  49           HE2      PHE  49   3.422   4.709  -0.128
  345    HZ   PHE  49           HZ       PHE  49   3.688   3.179   1.768
  346    H    LYS  50           H        LYS  50   3.066  -1.674  -4.212
  347    HA   LYS  50           HA       LYS  50   1.696  -3.511  -2.597
  348   1HB   LYS  50          1HB       LYS  50   4.381  -3.733  -3.990
  349   2HB   LYS  50          2HB       LYS  50   3.482  -5.074  -3.310
  350   1HG   LYS  50          1HG       LYS  50   1.499  -4.158  -4.823
  351   2HG   LYS  50          2HG       LYS  50   2.783  -3.349  -5.700
  352   1HD   LYS  50          1HD       LYS  50   3.788  -5.945  -5.381
  353   2HD   LYS  50          2HD       LYS  50   2.076  -6.219  -5.633
  354   1HE   LYS  50          1HE       LYS  50   2.840  -4.211  -7.522
  355   2HE   LYS  50          2HE       LYS  50   4.100  -5.428  -7.572
  356   1HZ   LYS  50          1HZ       LYS  50   2.250  -7.077  -7.730
  357   2HZ   LYS  50          2HZ       LYS  50   1.228  -5.829  -7.985
  358   3HZ   LYS  50          3HZ       LYS  50   2.443  -6.117  -9.037
  359    HA   PRO  51           HA       PRO  51   3.822  -3.287   1.151
  360   1HB   PRO  51          1HB       PRO  51   3.901  -5.879   2.014
  361   2HB   PRO  51          2HB       PRO  51   2.473  -4.871   2.137
  362   1HG   PRO  51          1HG       PRO  51   3.031  -7.072   0.244
  363   2HG   PRO  51          2HG       PRO  51   1.490  -6.350   0.665
  364   1HD   PRO  51          1HD       PRO  51   2.999  -5.899  -1.732
  365   2HD   PRO  51          2HD       PRO  51   1.519  -5.091  -1.258
  366    H    LEU  52           H        LEU  52   5.835  -2.728   1.676
  367    HA   LEU  52           HA       LEU  52   7.970  -3.225   0.170
  368   1HB   LEU  52          1HB       LEU  52   8.279  -1.713   1.866
  369   2HB   LEU  52          2HB       LEU  52   7.621  -2.772   3.097
  370    HG   LEU  52           HG       LEU  52  10.281  -3.289   1.751
  371   1HD1  LEU  52          1HD1      LEU  52   9.575  -1.337   3.848
  372   2HD1  LEU  52          2HD1      LEU  52  10.951  -2.399   4.233
  373   3HD1  LEU  52          3HD1      LEU  52  10.979  -1.406   2.755
  374   1HD2  LEU  52          1HD2      LEU  52   8.658  -4.725   3.662
  375   2HD2  LEU  52          2HD2      LEU  52  10.164  -5.215   2.848
  376   3HD2  LEU  52          3HD2      LEU  52  10.233  -4.296   4.371
  377    H    GLN  53           H        GLN  53   9.264  -4.900  -0.427
  378    HA   GLN  53           HA       GLN  53   8.466  -7.481   0.200
  379   1HB   GLN  53          1HB       GLN  53  10.573  -8.150  -0.998
  380   2HB   GLN  53          2HB       GLN  53   9.595  -7.004  -1.893
  381   1HG   GLN  53          1HG       GLN  53  11.509  -5.648  -0.108
  382   2HG   GLN  53          2HG       GLN  53  12.318  -6.720  -1.234
  383   2HE2  GLN  53          2HE2      GLN  53  10.864  -3.726  -0.763
  384   1HE2  GLN  53          1HE2      GLN  53  10.792  -3.160  -2.398
  385    H    GLU  54           H        GLU  54   8.411  -7.387   2.600
  386    HA   GLU  54           HA       GLU  54  10.468  -6.817   4.223
  387   1HB   GLU  54          1HB       GLU  54   9.317  -8.007   5.892
  388   2HB   GLU  54          2HB       GLU  54   8.049  -7.649   4.737
  389   1HG   GLU  54          1HG       GLU  54   8.567  -9.953   3.671
  390   2HG   GLU  54          2HG       GLU  54   9.542 -10.283   5.090
  391    H    ALA  55           H        ALA  55  12.556  -7.506   4.361
  392    HA   ALA  55           HA       ALA  55  13.176 -10.277   4.320
  393   1HB   ALA  55          1HB       ALA  55  12.999 -10.106   1.937
  394   2HB   ALA  55          2HB       ALA  55  14.738 -10.059   2.315
  395   3HB   ALA  55          3HB       ALA  55  13.873  -8.555   1.915
  396    H    GLU  56           H        GLU  56  14.522  -6.963   3.670
  397    HA   GLU  56           HA       GLU  56  16.919  -7.565   5.007
  398   1HB   GLU  56          1HB       GLU  56  15.636  -5.118   3.828
  399   2HB   GLU  56          2HB       GLU  56  16.940  -4.864   4.971
  400   1HG   GLU  56          1HG       GLU  56  18.337  -6.519   3.598
  401   2HG   GLU  56          2HG       GLU  56  17.060  -6.503   2.399
  402    H    CYS  57           H        CYS  57  14.245  -5.239   5.859
  403    HA   CYS  57           HA       CYS  57  15.151  -5.264   8.591
  404   1HB   CYS  57          1HB       CYS  57  12.927  -3.775   7.187
  405   2HB   CYS  57          2HB       CYS  57  13.248  -3.644   8.905
  406    H    THR  58           H        THR  58  14.725  -7.621   8.915
  407    HA   THR  58           HA       THR  58  12.267  -8.078  10.171
  408    HB   THR  58           HB       THR  58  11.410  -8.086   7.816
  409    HG1  THR  58           HG1      THR  58  10.670  -9.606   9.561
  410   1HG2  THR  58          1HG2      THR  58  13.773  -9.845   7.444
  411   2HG2  THR  58          2HG2      THR  58  12.261 -10.557   6.832
  412   3HG2  THR  58          3HG2      THR  58  12.811  -8.977   6.223
  413    H    PHE  59           H        PHE  59  14.633  -8.319  11.268
  414    HA   PHE  59           HA       PHE  59  14.745 -11.000  12.006
  415   1HB   PHE  59          1HB       PHE  59  15.784 -11.249   9.738
  416   2HB   PHE  59          2HB       PHE  59  16.886  -9.929  10.073
  417    HD1  PHE  59           HD1      PHE  59  15.910 -13.045  11.901
  418    HD2  PHE  59           HD2      PHE  59  19.047 -10.656  10.334
  419    HE1  PHE  59           HE1      PHE  59  17.597 -14.678  12.789
  420    HE2  PHE  59           HE2      PHE  59  20.734 -12.289  11.222
  421    HZ   PHE  59           HZ       PHE  59  19.989 -14.280  12.439

  No H/Q in entry =         421
  Start of MODEL   81
    1    H    GLU   1           H        GLU   1   2.153 -11.187  18.497
    2    HA   GLU   1           HA       GLU   1   3.574 -11.232  20.425
    3   1HB   GLU   1          1HB       GLU   1   6.052 -11.194  20.072
    4   2HB   GLU   1          2HB       GLU   1   5.316 -12.699  19.560
    5   1HG   GLU   1          1HG       GLU   1   5.439 -10.626  17.428
    6   2HG   GLU   1          2HG       GLU   1   7.009 -11.151  18.003
    7    H    GLU   2           H        GLU   2   2.170  -9.246  20.013
    8    HA   GLU   2           HA       GLU   2   1.958  -7.087  19.945
    9   1HB   GLU   2          1HB       GLU   2   4.989  -7.181  20.128
   10   2HB   GLU   2          2HB       GLU   2   4.129  -5.656  20.054
   11   1HG   GLU   2          1HG       GLU   2   2.702  -7.083  21.998
   12   2HG   GLU   2          2HG       GLU   2   4.359  -7.574  22.292
   13    H    TYR   3           H        TYR   3   5.055  -7.056  18.084
   14    HA   TYR   3           HA       TYR   3   3.734  -5.685  15.933
   15   1HB   TYR   3          1HB       TYR   3   5.986  -4.999  16.428
   16   2HB   TYR   3          2HB       TYR   3   6.499  -6.637  16.782
   17    HD1  TYR   3           HD1      TYR   3   5.206  -4.669  13.852
   18    HD2  TYR   3           HD2      TYR   3   7.932  -7.647  15.267
   19    HE1  TYR   3           HE1      TYR   3   6.213  -4.864  11.525
   20    HE2  TYR   3           HE2      TYR   3   8.930  -7.831  12.936
   21    HH   TYR   3           HH       TYR   3   8.583  -5.594  10.647
   22    H    VAL   4           H        VAL   4   2.469  -6.836  14.542
   23    HA   VAL   4           HA       VAL   4   3.582  -8.688  12.815
   24    HB   VAL   4           HB       VAL   4   3.753 -10.244  14.591
   25   1HG1  VAL   4          1HG1      VAL   4   1.424  -8.922  15.608
   26   2HG1  VAL   4          2HG1      VAL   4   1.079 -10.663  15.479
   27   3HG1  VAL   4          3HG1      VAL   4   2.483 -10.101  16.417
   28   1HG2  VAL   4          1HG2      VAL   4   1.305 -10.799  12.889
   29   2HG2  VAL   4          2HG2      VAL   4   2.990 -11.269  12.562
   30   3HG2  VAL   4          3HG2      VAL   4   2.103 -12.019  13.910
   31    H    GLY   5           H        GLY   5   2.445  -7.000  11.587
   32   1HA   GLY   5          1HA       GLY   5  -0.396  -7.705  11.262
   33   2HA   GLY   5          2HA       GLY   5   0.649  -6.990  10.051
   34    H    LEU   6           H        LEU   6   1.217  -5.644  13.178
   35    HA   LEU   6           HA       LEU   6  -0.585  -3.411  12.546
   36   1HB   LEU   6          1HB       LEU   6  -1.459  -4.004  14.517
   37   2HB   LEU   6          2HB       LEU   6  -0.033  -4.890  15.020
   38    HG   LEU   6           HG       LEU   6   1.073  -2.763  15.631
   39   1HD1  LEU   6          1HD1      LEU   6  -1.342  -1.624  14.357
   40   2HD1  LEU   6          2HD1      LEU   6  -0.820  -0.846  15.870
   41   3HD1  LEU   6          3HD1      LEU   6   0.309  -0.972  14.499
   42   1HD2  LEU   6          1HD2      LEU   6  -1.421  -3.756  16.895
   43   2HD2  LEU   6          2HD2      LEU   6   0.229  -3.615  17.547
   44   3HD2  LEU   6          3HD2      LEU   6  -0.816  -2.177  17.453
   45    H    SER   7           H        SER   7   0.679  -1.998  11.403
   46    HA   SER   7           HA       SER   7   2.273  -0.258  12.459
   47   1HB   SER   7          1HB       SER   7   4.671  -1.214  11.880
   48   2HB   SER   7          2HB       SER   7   3.934  -1.566  13.431
   49    HG   SER   7           HG       SER   7   3.735  -3.652  12.914
   50    H    ALA   8           H        ALA   8   4.343   0.305  10.720
   51    HA   ALA   8           HA       ALA   8   2.976   0.200   8.127
   52   1HB   ALA   8          1HB       ALA   8   4.260   2.284   9.677
   53   2HB   ALA   8          2HB       ALA   8   5.075   2.104   8.104
   54   3HB   ALA   8          3HB       ALA   8   3.324   2.419   8.169
   55    H    ASN   9           H        ASN   9   4.966  -1.743   9.655
   56    HA   ASN   9           HA       ASN   9   7.383  -1.740   8.462
   57   1HB   ASN   9          1HB       ASN   9   6.933  -3.366  10.185
   58   2HB   ASN   9          2HB       ASN   9   5.549  -4.016   9.329
   59   2HD2  ASN   9          2HD2      ASN   9   9.034  -3.816   9.475
   60   1HD2  ASN   9          1HD2      ASN   9   9.404  -5.178   8.470
   61    H    GLN  10           H        GLN  10   4.292  -3.299   7.339
   62    HA   GLN  10           HA       GLN  10   5.423  -4.314   4.988
   63   1HB   GLN  10          1HB       GLN  10   2.931  -4.524   4.320
   64   2HB   GLN  10          2HB       GLN  10   3.461  -5.401   5.741
   65   1HG   GLN  10          1HG       GLN  10   2.632  -2.668   6.432
   66   2HG   GLN  10          2HG       GLN  10   1.349  -3.527   5.601
   67   2HE2  GLN  10          2HE2      GLN  10   2.133  -2.703   8.496
   68   1HE2  GLN  10          1HE2      GLN  10   1.748  -4.096   9.450
   69    H    CYS  11           H        CYS  11   3.902  -1.223   5.900
   70    HA   CYS  11           HA       CYS  11   4.212  -0.354   3.120
   71   1HB   CYS  11          1HB       CYS  11   2.591   1.256   5.018
   72   2HB   CYS  11          2HB       CYS  11   2.393   1.001   3.296
   73    H    ALA  12           H        ALA  12   6.540  -0.544   4.594
   74    HA   ALA  12           HA       ALA  12   6.998   2.218   5.499
   75   1HB   ALA  12          1HB       ALA  12   9.053   0.862   6.594
   76   2HB   ALA  12          2HB       ALA  12   7.479   1.035   7.407
   77   3HB   ALA  12          3HB       ALA  12   7.861  -0.458   6.517
   78    H    VAL  13           H        VAL  13   6.999   2.030   2.831
   79    HA   VAL  13           HA       VAL  13   9.723   1.378   2.007
   80    HB   VAL  13           HB       VAL  13   7.783   2.336   0.016
   81   1HG1  VAL  13          1HG1      VAL  13  10.010   0.447   0.262
   82   2HG1  VAL  13          2HG1      VAL  13   8.649  -0.200  -0.685
   83   3HG1  VAL  13          3HG1      VAL  13   9.412   1.337  -1.159
   84   1HG2  VAL  13          1HG2      VAL  13   7.200  -0.097   1.715
   85   2HG2  VAL  13          2HG2      VAL  13   6.113   1.240   1.266
   86   3HG2  VAL  13          3HG2      VAL  13   6.613   0.049   0.040
   87    HA   PRO  14           HA       PRO  14  10.792   5.564   1.873
   88   1HB   PRO  14          1HB       PRO  14  12.882   5.515   0.114
   89   2HB   PRO  14          2HB       PRO  14  13.038   5.061   1.799
   90   1HG   PRO  14          1HG       PRO  14  12.955   3.321  -0.590
   91   2HG   PRO  14          2HG       PRO  14  13.525   2.944   1.024
   92   1HD   PRO  14          1HD       PRO  14  11.030   2.146  -0.145
   93   2HD   PRO  14          2HD       PRO  14  11.551   1.868   1.505
   94    H    ALA  15           H        ALA  15   9.137   4.103  -0.487
   95    HA   ALA  15           HA       ALA  15   7.714   5.099  -1.925
   96   1HB   ALA  15          1HB       ALA  15   9.246   7.645  -2.189
   97   2HB   ALA  15          2HB       ALA  15   7.493   7.374  -2.041
   98   3HB   ALA  15          3HB       ALA  15   8.528   7.314  -0.594
   99    H    LYS  16           H        LYS  16  11.197   4.987  -2.095
  100    HA   LYS  16           HA       LYS  16  11.176   5.191  -4.994
  101   1HB   LYS  16          1HB       LYS  16  13.620   5.093  -4.779
  102   2HB   LYS  16          2HB       LYS  16  12.927   6.378  -3.811
  103   1HG   LYS  16          1HG       LYS  16  14.619   5.198  -2.486
  104   2HG   LYS  16          2HG       LYS  16  13.038   4.912  -1.784
  105   1HD   LYS  16          1HD       LYS  16  12.970   2.674  -2.479
  106   2HD   LYS  16          2HD       LYS  16  14.023   2.951  -3.852
  107   1HE   LYS  16          1HE       LYS  16  15.895   2.480  -2.639
  108   2HE   LYS  16          2HE       LYS  16  15.409   3.538  -1.330
  109   1HZ   LYS  16          1HZ       LYS  16  13.801   1.220  -1.435
  110   2HZ   LYS  16          2HZ       LYS  16  15.381   0.829  -1.296
  111   3HZ   LYS  16          3HZ       LYS  16  14.682   1.810  -0.193
  112    H    ASP  17           H        ASP  17  10.209   2.908  -2.874
  113    HA   ASP  17           HA       ASP  17  11.269   0.798  -4.581
  114   1HB   ASP  17          1HB       ASP  17  11.540   1.122  -1.725
  115   2HB   ASP  17          2HB       ASP  17  10.483  -0.248  -2.003
  116    H    ARG  18           H        ARG  18   8.719   2.546  -4.467
  117    HA   ARG  18           HA       ARG  18   6.694   0.827  -3.516
  118   1HB   ARG  18          1HB       ARG  18   6.330   3.141  -5.473
  119   2HB   ARG  18          2HB       ARG  18   5.156   2.521  -4.329
  120   1HG   ARG  18          1HG       ARG  18   7.805   3.614  -3.333
  121   2HG   ARG  18          2HG       ARG  18   6.507   4.715  -3.746
  122   1HD   ARG  18          1HD       ARG  18   5.171   2.825  -2.200
  123   2HD   ARG  18          2HD       ARG  18   6.746   2.866  -1.431
  124    HE   ARG  18           HE       ARG  18   5.540   5.506  -2.006
  125   1HH1  ARG  18          1HH1      ARG  18   6.088   2.957   0.358
  126   2HH1  ARG  18          2HH1      ARG  18   5.775   3.979   1.722
  127   1HH2  ARG  18          1HH2      ARG  18   5.126   6.854  -0.207
  128   2HH2  ARG  18          2HH2      ARG  18   5.224   6.210   1.397
  129    H    VAL  19           H        VAL  19   5.492  -0.713  -4.656
  130    HA   VAL  19           HA       VAL  19   6.412  -1.282  -7.349
  131    HB   VAL  19           HB       VAL  19   4.452  -2.836  -5.664
  132   1HG1  VAL  19          1HG1      VAL  19   6.187  -3.460  -8.058
  133   2HG1  VAL  19          2HG1      VAL  19   5.553  -4.743  -7.000
  134   3HG1  VAL  19          3HG1      VAL  19   4.429  -3.666  -7.863
  135   1HG2  VAL  19          1HG2      VAL  19   6.537  -2.398  -4.373
  136   2HG2  VAL  19          2HG2      VAL  19   6.292  -4.119  -4.755
  137   3HG2  VAL  19          3HG2      VAL  19   7.470  -3.160  -5.683
  138    H    ASP  20           H        ASP  20   4.283   0.859  -6.082
  139    HA   ASP  20           HA       ASP  20   2.384   1.752  -6.677
  140   1HB   ASP  20          1HB       ASP  20   3.948   2.218  -8.658
  141   2HB   ASP  20          2HB       ASP  20   3.165   0.896  -9.501
  142    H    CYS  21           H        CYS  21   0.713   0.385  -5.857
  143    HA   CYS  21           HA       CYS  21   0.092  -2.105  -6.945
  144   1HB   CYS  21          1HB       CYS  21  -0.636  -0.670  -4.710
  145   2HB   CYS  21          2HB       CYS  21  -2.126  -0.702  -5.633
  146    H    GLY  22           H        GLY  22  -0.544   1.184  -7.940
  147   1HA   GLY  22          1HA       GLY  22  -1.676   0.453 -10.392
  148   2HA   GLY  22          2HA       GLY  22  -1.660   2.056  -9.684
  149    H    TYR  23           H        TYR  23  -3.353   2.542  -7.962
  150    HA   TYR  23           HA       TYR  23  -5.866   1.323  -8.811
  151   1HB   TYR  23          1HB       TYR  23  -4.480   0.636  -6.458
  152   2HB   TYR  23          2HB       TYR  23  -5.507   1.938  -5.891
  153    HD1  TYR  23           HD1      TYR  23  -5.823  -1.142  -8.026
  154    HD2  TYR  23           HD2      TYR  23  -7.556   1.335  -4.997
  155    HE1  TYR  23           HE1      TYR  23  -7.767  -2.764  -7.801
  156    HE2  TYR  23           HE2      TYR  23  -9.494  -0.296  -4.783
  157    HH   TYR  23           HH       TYR  23  -9.429  -3.390  -6.360
  158    HA   PRO  24           HA       PRO  24  -7.080   5.478  -8.597
  159   1HB   PRO  24          1HB       PRO  24  -9.787   5.189  -8.838
  160   2HB   PRO  24          2HB       PRO  24  -8.694   5.156 -10.207
  161   1HG   PRO  24          1HG       PRO  24 -10.091   2.904  -8.897
  162   2HG   PRO  24          2HG       PRO  24  -9.353   2.963 -10.485
  163   1HD   PRO  24          1HD       PRO  24  -8.277   1.713  -8.139
  164   2HD   PRO  24          2HD       PRO  24  -7.489   1.873  -9.696
  165    H    HIS  25           H        HIS  25  -9.816   3.963  -7.001
  166    HA   HIS  25           HA       HIS  25  -9.786   5.921  -4.992
  167   1HB   HIS  25          1HB       HIS  25 -11.783   5.062  -4.436
  168   2HB   HIS  25          2HB       HIS  25 -11.626   4.191  -5.949
  169    HD1  HIS  25           HD1      HIS  25 -12.382   3.619  -2.496
  170    HD2  HIS  25           HD2      HIS  25 -10.255   1.503  -5.428
  171    HE1  HIS  25           HE1      HIS  25 -12.252   1.204  -1.682
  172    HE2  HIS  25           HE2      HIS  25 -10.982  -0.059  -3.550
  173    H    VAL  26           H        VAL  26  -7.884   6.074  -3.818
  174    HA   VAL  26           HA       VAL  26  -7.194   3.661  -2.293
  175    HB   VAL  26           HB       VAL  26  -4.836   4.509  -2.380
  176   1HG1  VAL  26          1HG1      VAL  26  -6.294   3.523  -4.830
  177   2HG1  VAL  26          2HG1      VAL  26  -4.534   3.789  -4.853
  178   3HG1  VAL  26          3HG1      VAL  26  -5.244   2.627  -3.706
  179   1HG2  VAL  26          1HG2      VAL  26  -6.028   6.353  -4.471
  180   2HG2  VAL  26          2HG2      VAL  26  -5.129   6.799  -3.000
  181   3HG2  VAL  26          3HG2      VAL  26  -4.288   5.995  -4.348
  182    H    THR  27           H        THR  27  -7.417   3.941  -0.136
  183    HA   THR  27           HA       THR  27  -7.163   6.690   0.886
  184    HB   THR  27           HB       THR  27  -9.171   6.415   2.144
  185    HG1  THR  27           HG1      THR  27  -8.647   3.615   1.460
  186   1HG2  THR  27          1HG2      THR  27  -9.627   4.734  -0.378
  187   2HG2  THR  27          2HG2      THR  27 -10.902   5.477   0.617
  188   3HG2  THR  27          3HG2      THR  27  -9.771   6.506  -0.293
  189    HA   PRO  28           HA       PRO  28  -4.666   5.051   3.970
  190   1HB   PRO  28          1HB       PRO  28  -5.388   6.364   6.256
  191   2HB   PRO  28          2HB       PRO  28  -4.386   7.085   5.012
  192   1HG   PRO  28          1HG       PRO  28  -7.234   7.591   5.622
  193   2HG   PRO  28          2HG       PRO  28  -6.118   8.575   4.696
  194   1HD   PRO  28          1HD       PRO  28  -8.182   6.879   3.653
  195   2HD   PRO  28          2HD       PRO  28  -6.992   7.773   2.727
  196    H    LYS  29           H        LYS  29  -6.868   3.390   3.346
  197    HA   LYS  29           HA       LYS  29  -6.631   1.570   5.420
  198   1HB   LYS  29          1HB       LYS  29  -8.087   3.497   6.472
  199   2HB   LYS  29          2HB       LYS  29  -9.384   2.762   5.553
  200   1HG   LYS  29          1HG       LYS  29  -7.686   0.820   7.044
  201   2HG   LYS  29          2HG       LYS  29  -8.569   1.936   8.065
  202   1HD   LYS  29          1HD       LYS  29 -10.218   0.844   5.862
  203   2HD   LYS  29          2HD       LYS  29  -9.601  -0.400   6.930
  204   1HE   LYS  29          1HE       LYS  29 -11.305   0.121   8.343
  205   2HE   LYS  29          2HE       LYS  29 -10.437   1.597   8.713
  206   1HZ   LYS  29          1HZ       LYS  29 -11.583   2.625   6.830
  207   2HZ   LYS  29          2HZ       LYS  29 -12.453   1.261   6.603
  208   3HZ   LYS  29          3HZ       LYS  29 -12.620   2.116   7.984
  209    H    GLU  30           H        GLU  30  -9.006   2.927   3.039
  210    HA   GLU  30           HA       GLU  30 -10.015   0.439   2.329
  211   1HB   GLU  30          1HB       GLU  30 -10.753   2.990   1.826
  212   2HB   GLU  30          2HB       GLU  30  -9.953   2.656   0.303
  213   1HG   GLU  30          1HG       GLU  30 -12.327   2.079   0.105
  214   2HG   GLU  30          2HG       GLU  30 -11.371   0.614   0.006
  215    H    CYS  31           H        CYS  31  -7.269   2.405   1.104
  216    HA   CYS  31           HA       CYS  31  -6.782   0.871  -1.175
  217   1HB   CYS  31          1HB       CYS  31  -5.691   2.848  -1.314
  218   2HB   CYS  31          2HB       CYS  31  -5.333   2.914   0.400
  219    H    ASN  32           H        ASN  32  -5.764   0.656   2.270
  220    HA   ASN  32           HA       ASN  32  -4.047  -1.555   1.695
  221   1HB   ASN  32          1HB       ASN  32  -3.315  -0.115   3.489
  222   2HB   ASN  32          2HB       ASN  32  -4.901  -0.095   4.232
  223   2HD2  ASN  32          2HD2      ASN  32  -5.095  -1.254   5.976
  224   1HD2  ASN  32          1HD2      ASN  32  -4.239  -2.704   6.383
  225    H    ASN  33           H        ASN  33  -7.358  -1.125   1.879
  226    HA   ASN  33           HA       ASN  33  -7.856  -3.523   3.413
  227   1HB   ASN  33          1HB       ASN  33  -9.279  -1.476   3.782
  228   2HB   ASN  33          2HB       ASN  33  -9.793  -1.538   2.107
  229   2HD2  ASN  33          2HD2      ASN  33 -11.923  -1.853   2.498
  230   1HD2  ASN  33          1HD2      ASN  33 -12.600  -3.298   3.174
  231    H    ARG  34           H        ARG  34  -7.996  -2.096   0.127
  232    HA   ARG  34           HA       ARG  34  -9.514  -4.104  -1.041
  233   1HB   ARG  34          1HB       ARG  34  -8.596  -1.684  -1.873
  234   2HB   ARG  34          2HB       ARG  34  -7.398  -2.693  -2.660
  235   1HG   ARG  34          1HG       ARG  34  -9.434  -2.213  -4.088
  236   2HG   ARG  34          2HG       ARG  34  -9.095  -3.920  -3.884
  237   1HD   ARG  34          1HD       ARG  34 -10.871  -2.807  -1.777
  238   2HD   ARG  34          2HD       ARG  34 -11.550  -2.703  -3.389
  239    HE   ARG  34           HE       ARG  34 -10.408  -5.322  -2.964
  240   1HH1  ARG  34          1HH1      ARG  34 -13.193  -3.347  -2.113
  241   2HH1  ARG  34          2HH1      ARG  34 -14.240  -4.705  -1.864
  242   1HH2  ARG  34          1HH2      ARG  34 -11.788  -7.113  -2.636
  243   2HH2  ARG  34          2HH2      ARG  34 -13.435  -6.861  -2.163
  244    H    GLY  35           H        GLY  35  -6.202  -3.964   0.056
  245   1HA   GLY  35          1HA       GLY  35  -5.602  -6.470  -1.401
  246   2HA   GLY  35          2HA       GLY  35  -5.158  -6.168   0.267
  247    H    CYS  36           H        CYS  36  -3.788  -4.076   0.642
  248    HA   CYS  36           HA       CYS  36  -1.413  -4.339  -0.671
  249   1HB   CYS  36          1HB       CYS  36  -3.178  -3.106  -2.417
  250   2HB   CYS  36          2HB       CYS  36  -2.298  -1.759  -1.723
  251    H    CYS  37           H        CYS  37  -0.744  -1.411  -0.663
  252    HA   CYS  37           HA       CYS  37  -1.304  -0.806   2.145
  253   1HB   CYS  37          1HB       CYS  37   1.336  -1.037   0.772
  254   2HB   CYS  37          2HB       CYS  37   1.138   0.227   1.969
  255    H    PHE  38           H        PHE  38  -1.305   1.530   2.603
  256    HA   PHE  38           HA       PHE  38  -1.640   3.108   0.149
  257   1HB   PHE  38          1HB       PHE  38  -3.715   2.789   1.489
  258   2HB   PHE  38          2HB       PHE  38  -2.871   3.215   2.965
  259    HD1  PHE  38           HD1      PHE  38  -4.352   4.519  -0.123
  260    HD2  PHE  38           HD2      PHE  38  -2.422   5.525   3.520
  261    HE1  PHE  38           HE1      PHE  38  -5.032   6.916  -0.425
  262    HE2  PHE  38           HE2      PHE  38  -3.103   7.922   3.219
  263    HZ   PHE  38           HZ       PHE  38  -4.399   8.589   1.250
  264    H    ASP  39           H        ASP  39  -1.441   5.623   0.788
  265    HA   ASP  39           HA       ASP  39   0.192   6.376   2.844
  266   1HB   ASP  39          1HB       ASP  39   1.979   5.047   1.826
  267   2HB   ASP  39          2HB       ASP  39   1.678   5.757   0.253
  268    H    SER  40           H        SER  40   0.303   8.695   2.813
  269    HA   SER  40           HA       SER  40  -0.462   9.922   0.284
  270   1HB   SER  40          1HB       SER  40  -1.930  11.481   1.465
  271   2HB   SER  40          2HB       SER  40  -2.420   9.836   1.825
  272    HG   SER  40           HG       SER  40  -1.826  10.054   3.901
  273    H    ARG  41           H        ARG  41   2.120   9.445   1.964
  274    HA   ARG  41           HA       ARG  41   2.875  11.848   3.078
  275   1HB   ARG  41          1HB       ARG  41   3.985   9.388   2.991
  276   2HB   ARG  41          2HB       ARG  41   4.928  10.109   1.702
  277   1HG   ARG  41          1HG       ARG  41   5.076  12.094   3.614
  278   2HG   ARG  41          2HG       ARG  41   4.981  10.670   4.631
  279   1HD   ARG  41          1HD       ARG  41   6.938   9.677   3.572
  280   2HD   ARG  41          2HD       ARG  41   6.943  10.885   2.303
  281    HE   ARG  41           HE       ARG  41   8.056  12.350   3.743
  282   1HH1  ARG  41          1HH1      ARG  41   6.527   9.820   5.652
  283   2HH1  ARG  41          2HH1      ARG  41   7.247  10.333   7.142
  284   1HH2  ARG  41          1HH2      ARG  41   9.005  13.027   5.708
  285   2HH2  ARG  41          2HH2      ARG  41   8.666  12.169   7.174
  286    H    ILE  42           H        ILE  42   3.394  10.470  -0.239
  287    HA   ILE  42           HA       ILE  42   3.651  13.187  -1.238
  288    HB   ILE  42           HB       ILE  42   5.611  11.926  -2.666
  289   1HG1  ILE  42          1HG1      ILE  42   7.157  10.950  -0.984
  290   2HG1  ILE  42          2HG1      ILE  42   5.884  11.027   0.217
  291   1HG2  ILE  42          1HG2      ILE  42   5.483  14.248  -1.638
  292   2HG2  ILE  42          2HG2      ILE  42   6.161  13.522  -0.161
  293   3HG2  ILE  42          3HG2      ILE  42   7.087  13.477  -1.681
  294   1HD1  ILE  42          1HD1      ILE  42   5.027   9.733  -2.307
  295   2HD1  ILE  42          2HD1      ILE  42   6.346   8.879  -1.469
  296   3HD1  ILE  42          3HD1      ILE  42   4.812   9.196  -0.623
  297    HA   PRO  43           HA       PRO  43   1.152  11.341  -4.252
  298   1HB   PRO  43          1HB       PRO  43   1.009  13.413  -6.029
  299   2HB   PRO  43          2HB       PRO  43   0.006  13.309  -4.596
  300   1HG   PRO  43          1HG       PRO  43   2.356  15.032  -5.091
  301   2HG   PRO  43          2HG       PRO  43   1.107  15.203  -3.874
  302   1HD   PRO  43          1HD       PRO  43   3.774  14.227  -3.470
  303   2HD   PRO  43          2HD       PRO  43   2.489  14.289  -2.280
  304    H    GLY  44           H        GLY  44   4.132  12.880  -5.247
  305   1HA   GLY  44          1HA       GLY  44   5.765  12.004  -6.562
  306   2HA   GLY  44          2HA       GLY  44   4.497  12.090  -7.769
  307    H    VAL  45           H        VAL  45   4.981   9.932  -4.881
  308    HA   VAL  45           HA       VAL  45   5.384   7.677  -6.641
  309    HB   VAL  45           HB       VAL  45   6.208   6.598  -4.815
  310   1HG1  VAL  45          1HG1      VAL  45   7.137   9.090  -5.151
  311   2HG1  VAL  45          2HG1      VAL  45   6.568   9.236  -3.470
  312   3HG1  VAL  45          3HG1      VAL  45   7.766   7.991  -3.900
  313   1HG2  VAL  45          1HG2      VAL  45   4.125   8.099  -3.246
  314   2HG2  VAL  45          2HG2      VAL  45   4.410   6.347  -3.369
  315   3HG2  VAL  45          3HG2      VAL  45   5.512   7.362  -2.410
  316    HA   PRO  46           HA       PRO  46   1.377   6.079  -6.340
  317   1HB   PRO  46          1HB       PRO  46   1.696   3.393  -5.949
  318   2HB   PRO  46          2HB       PRO  46   1.900   4.166  -7.508
  319   1HG   PRO  46          1HG       PRO  46   3.969   3.148  -5.658
  320   2HG   PRO  46          2HG       PRO  46   4.111   3.524  -7.364
  321   1HD   PRO  46          1HD       PRO  46   5.054   5.116  -5.173
  322   2HD   PRO  46          2HD       PRO  46   5.091   5.544  -6.871
  323    H    TRP  47           H        TRP  47   0.406   7.161  -4.656
  324    HA   TRP  47           HA       TRP  47   0.796   6.916  -2.055
  325   1HB   TRP  47          1HB       TRP  47  -1.668   7.250  -3.685
  326   2HB   TRP  47          2HB       TRP  47  -1.877   6.922  -1.976
  327    HD1  TRP  47           HD1      TRP  47   1.105   9.085  -3.088
  328    HE1  TRP  47           HE1      TRP  47   0.836  11.582  -2.276
  329    HE3  TRP  47           HE3      TRP  47  -3.665   8.576  -1.402
  330    HZ2  TRP  47           HZ2      TRP  47  -1.294  13.031  -1.048
  331    HZ3  TRP  47           HZ3      TRP  47  -4.767  10.580  -0.410
  332    HH2  TRP  47           HH2      TRP  47  -3.659  12.751  -0.219
  333    H    CYS  48           H        CYS  48  -1.142   4.592  -4.063
  334    HA   CYS  48           HA       CYS  48  -1.139   2.763  -1.801
  335   1HB   CYS  48          1HB       CYS  48  -3.230   3.361  -3.161
  336   2HB   CYS  48          2HB       CYS  48  -2.554   2.360  -4.432
  337    H    PHE  49           H        PHE  49   0.786   1.620  -1.721
  338    HA   PHE  49           HA       PHE  49   1.692   0.460  -4.262
  339   1HB   PHE  49          1HB       PHE  49   3.995   0.605  -3.024
  340   2HB   PHE  49          2HB       PHE  49   3.323   2.123  -3.586
  341    HD1  PHE  49           HD1      PHE  49   3.389  -0.051  -0.557
  342    HD2  PHE  49           HD2      PHE  49   3.137   3.893  -2.103
  343    HE1  PHE  49           HE1      PHE  49   3.520   0.871   1.774
  344    HE2  PHE  49           HE2      PHE  49   3.268   4.815   0.228
  345    HZ   PHE  49           HZ       PHE  49   3.458   3.292   2.139
  346    H    LYS  50           H        LYS  50   3.099  -1.557  -3.892
  347    HA   LYS  50           HA       LYS  50   1.610  -3.357  -2.299
  348   1HB   LYS  50          1HB       LYS  50   4.187  -3.634  -3.866
  349   2HB   LYS  50          2HB       LYS  50   3.419  -4.968  -3.030
  350   1HG   LYS  50          1HG       LYS  50   1.282  -3.871  -4.435
  351   2HG   LYS  50          2HG       LYS  50   2.615  -3.599  -5.540
  352   1HD   LYS  50          1HD       LYS  50   3.033  -6.231  -4.623
  353   2HD   LYS  50          2HD       LYS  50   1.293  -6.124  -4.797
  354   1HE   LYS  50          1HE       LYS  50   2.336  -4.839  -7.106
  355   2HE   LYS  50          2HE       LYS  50   3.352  -6.249  -6.878
  356   1HZ   LYS  50          1HZ       LYS  50   1.221  -7.507  -6.618
  357   2HZ   LYS  50          2HZ       LYS  50   0.439  -6.185  -7.172
  358   3HZ   LYS  50          3HZ       LYS  50   1.530  -6.945  -8.119
  359    HA   PRO  51           HA       PRO  51   3.849  -3.299   1.390
  360   1HB   PRO  51          1HB       PRO  51   3.870  -5.910   2.199
  361   2HB   PRO  51          2HB       PRO  51   2.477  -4.861   2.381
  362   1HG   PRO  51          1HG       PRO  51   2.916  -7.039   0.430
  363   2HG   PRO  51          2HG       PRO  51   1.411  -6.279   0.907
  364   1HD   PRO  51          1HD       PRO  51   2.868  -5.824  -1.521
  365   2HD   PRO  51          2HD       PRO  51   1.426  -4.982  -0.991
  366    H    LEU  52           H        LEU  52   5.891  -2.740   1.756
  367    HA   LEU  52           HA       LEU  52   7.961  -3.296   0.219
  368   1HB   LEU  52          1HB       LEU  52   8.320  -1.815   1.952
  369   2HB   LEU  52          2HB       LEU  52   7.749  -2.929   3.179
  370    HG   LEU  52           HG       LEU  52  10.215  -3.726   1.715
  371   1HD1  LEU  52          1HD1      LEU  52  10.066  -1.105   2.600
  372   2HD1  LEU  52          2HD1      LEU  52  10.863  -1.958   3.943
  373   3HD1  LEU  52          3HD1      LEU  52  11.550  -2.043   2.303
  374   1HD2  LEU  52          1HD2      LEU  52   8.908  -4.819   3.768
  375   2HD2  LEU  52          2HD2      LEU  52  10.675  -4.931   3.585
  376   3HD2  LEU  52          3HD2      LEU  52   9.969  -3.720   4.683
  377    H    GLN  53           H        GLN  53   8.784  -5.102  -0.676
  378    HA   GLN  53           HA       GLN  53   8.301  -7.592   0.682
  379   1HB   GLN  53          1HB       GLN  53   8.953  -8.645  -1.407
  380   2HB   GLN  53          2HB       GLN  53   7.862  -7.324  -1.775
  381   1HG   GLN  53          1HG       GLN  53  10.679  -6.448  -1.697
  382   2HG   GLN  53          2HG       GLN  53  10.417  -7.720  -2.874
  383   2HE2  GLN  53          2HE2      GLN  53  10.306  -4.458  -2.301
  384   1HE2  GLN  53          1HE2      GLN  53   9.312  -3.929  -3.616
  385    H    GLU  54           H        GLU  54  10.168  -5.714   1.927
  386    HA   GLU  54           HA       GLU  54  12.651  -7.191   1.520
  387   1HB   GLU  54          1HB       GLU  54  12.188  -4.414   1.431
  388   2HB   GLU  54          2HB       GLU  54  12.921  -4.670   3.002
  389   1HG   GLU  54          1HG       GLU  54  14.927  -5.478   2.101
  390   2HG   GLU  54          2HG       GLU  54  14.161  -6.080   0.644
  391    H    ALA  55           H        ALA  55  10.657  -8.379   3.080
  392    HA   ALA  55           HA       ALA  55  11.681  -7.926   5.800
  393   1HB   ALA  55          1HB       ALA  55   8.921  -8.313   4.706
  394   2HB   ALA  55          2HB       ALA  55   9.480  -7.317   6.072
  395   3HB   ALA  55          3HB       ALA  55   9.300  -9.077   6.268
  396    H    GLU  56           H        GLU  56  12.275  -9.762   7.002
  397    HA   GLU  56           HA       GLU  56  11.617 -12.325   6.457
  398   1HB   GLU  56          1HB       GLU  56  13.674 -11.312   4.586
  399   2HB   GLU  56          2HB       GLU  56  14.162 -12.772   5.422
  400   1HG   GLU  56          1HG       GLU  56  12.686 -14.062   4.257
  401   2HG   GLU  56          2HG       GLU  56  11.367 -12.938   4.522
  402    H    CYS  57           H        CYS  57  12.620 -13.764   7.966
  403    HA   CYS  57           HA       CYS  57  13.504 -12.750  10.278
  404   1HB   CYS  57          1HB       CYS  57  14.169 -14.899  10.909
  405   2HB   CYS  57          2HB       CYS  57  12.879 -15.133   9.747
  406    H    THR  58           H        THR  58  15.421 -11.886  11.091
  407    HA   THR  58           HA       THR  58  17.960 -12.453  10.036
  408    HB   THR  58           HB       THR  58  17.100 -11.141   8.089
  409    HG1  THR  58           HG1      THR  58  19.217 -10.510   8.249
  410   1HG2  THR  58          1HG2      THR  58  15.519  -9.660   9.493
  411   2HG2  THR  58          2HG2      THR  58  16.972  -8.793  10.044
  412   3HG2  THR  58          3HG2      THR  58  16.534  -8.790   8.318
  413    H    PHE  59           H        PHE  59  15.923  -9.901  11.590
  414    HA   PHE  59           HA       PHE  59  17.880  -8.788  13.153
  415   1HB   PHE  59          1HB       PHE  59  15.964  -7.962  14.419
  416   2HB   PHE  59          2HB       PHE  59  15.383  -8.173  12.779
  417    HD1  PHE  59           HD1      PHE  59  15.252  -9.479  16.197
  418    HD2  PHE  59           HD2      PHE  59  13.793  -9.919  12.237
  419    HE1  PHE  59           HE1      PHE  59  13.416 -10.970  17.039
  420    HE2  PHE  59           HE2      PHE  59  11.957 -11.410  13.078
  421    HZ   PHE  59           HZ       PHE  59  11.791 -11.918  15.469

  No H/Q in entry =         421
  Start of MODEL   82
    1    H    GLU   1           H        GLU   1   8.303 -14.443  16.326
    2    HA   GLU   1           HA       GLU   1   6.748 -16.326  17.060
    3   1HB   GLU   1          1HB       GLU   1   6.292 -13.451  16.638
    4   2HB   GLU   1          2HB       GLU   1   4.792 -14.357  16.620
    5   1HG   GLU   1          1HG       GLU   1   4.933 -14.134  18.902
    6   2HG   GLU   1          2HG       GLU   1   5.978 -15.535  18.775
    7    H    GLU   2           H        GLU   2   5.015 -14.302  14.641
    8    HA   GLU   2           HA       GLU   2   4.756 -16.454  12.821
    9   1HB   GLU   2          1HB       GLU   2   3.025 -16.698  14.907
   10   2HB   GLU   2          2HB       GLU   2   2.075 -15.641  13.882
   11   1HG   GLU   2          1HG       GLU   2   3.394 -18.082  12.667
   12   2HG   GLU   2          2HG       GLU   2   1.921 -18.280  13.597
   13    H    TYR   3           H        TYR   3   5.606 -13.592  12.980
   14    HA   TYR   3           HA       TYR   3   5.440 -11.721  11.804
   15   1HB   TYR   3          1HB       TYR   3   5.513 -12.944   9.760
   16   2HB   TYR   3          2HB       TYR   3   4.098 -13.892  10.172
   17    HD1  TYR   3           HD1      TYR   3   4.902 -10.276   9.510
   18    HD2  TYR   3           HD2      TYR   3   2.236 -13.556   8.842
   19    HE1  TYR   3           HE1      TYR   3   3.474  -8.817   7.994
   20    HE2  TYR   3           HE2      TYR   3   0.818 -12.086   7.330
   21    HH   TYR   3           HH       TYR   3   1.556  -9.795   5.839
   22    H    VAL   4           H        VAL   4   4.153  -9.831  11.532
   23    HA   VAL   4           HA       VAL   4   1.340  -9.919  11.588
   24    HB   VAL   4           HB       VAL   4   2.795  -9.763  14.169
   25   1HG1  VAL   4          1HG1      VAL   4   0.562  -7.887  13.402
   26   2HG1  VAL   4          2HG1      VAL   4   0.759  -8.439  15.082
   27   3HG1  VAL   4          3HG1      VAL   4   2.072  -7.544  14.280
   28   1HG2  VAL   4          1HG2      VAL   4   0.433 -11.074  13.008
   29   2HG2  VAL   4          2HG2      VAL   4   1.497 -11.591  14.338
   30   3HG2  VAL   4          3HG2      VAL   4   0.170 -10.446  14.652
   31    H    GLY   5           H        GLY   5   1.356  -8.414   9.943
   32   1HA   GLY   5          1HA       GLY   5   2.070  -6.529   8.821
   33   2HA   GLY   5          2HA       GLY   5   3.024  -6.038  10.207
   34    H    LEU   6           H        LEU   6   2.190  -4.563  11.675
   35    HA   LEU   6           HA       LEU   6  -0.642  -3.875  11.292
   36   1HB   LEU   6          1HB       LEU   6  -0.658  -3.183  13.639
   37   2HB   LEU   6          2HB       LEU   6  -0.360  -4.896  13.427
   38    HG   LEU   6           HG       LEU   6   2.193  -4.039  13.578
   39   1HD1  LEU   6          1HD1      LEU   6   0.731  -1.731  14.273
   40   2HD1  LEU   6          2HD1      LEU   6   1.413  -2.369  15.788
   41   3HD1  LEU   6          3HD1      LEU   6   2.484  -2.006  14.413
   42   1HD2  LEU   6          1HD2      LEU   6   0.557  -5.614  15.065
   43   2HD2  LEU   6          2HD2      LEU   6   2.253  -5.254  15.469
   44   3HD2  LEU   6          3HD2      LEU   6   0.940  -4.330  16.236
   45    H    SER   7           H        SER   7   2.601  -2.593  12.305
   46    HA   SER   7           HA       SER   7   1.727   0.052  11.691
   47   1HB   SER   7          1HB       SER   7   4.420   0.300  12.075
   48   2HB   SER   7          2HB       SER   7   3.248   0.286  13.378
   49    HG   SER   7           HG       SER   7   4.599  -1.305  14.027
   50    H    ALA   8           H        ALA   8   3.970   1.243  10.495
   51    HA   ALA   8           HA       ALA   8   3.571   1.038   7.864
   52   1HB   ALA   8          1HB       ALA   8   5.138   2.639   8.010
   53   2HB   ALA   8          2HB       ALA   8   5.609   2.066   9.629
   54   3HB   ALA   8          3HB       ALA   8   6.381   1.377   8.181
   55    H    ASN   9           H        ASN   9   6.676  -0.374   9.017
   56    HA   ASN   9           HA       ASN   9   7.829  -2.024   8.138
   57   1HB   ASN   9          1HB       ASN   9   5.226  -3.243   9.093
   58   2HB   ASN   9          2HB       ASN   9   6.375  -4.293   8.289
   59   2HD2  ASN   9          2HD2      ASN   9   7.854  -5.221   9.477
   60   1HD2  ASN   9          1HD2      ASN   9   8.419  -4.717  11.035
   61    H    GLN  10           H        GLN  10   4.788  -3.629   7.132
   62    HA   GLN  10           HA       GLN  10   5.623  -4.294   4.655
   63   1HB   GLN  10          1HB       GLN  10   2.710  -3.633   5.005
   64   2HB   GLN  10          2HB       GLN  10   3.448  -5.052   4.289
   65   1HG   GLN  10          1HG       GLN  10   4.342  -5.484   6.760
   66   2HG   GLN  10          2HG       GLN  10   3.038  -4.407   7.219
   67   2HE2  GLN  10          2HE2      GLN  10   0.980  -5.079   7.197
   68   1HE2  GLN  10          1HE2      GLN  10   0.444  -6.665   6.755
   69    H    CYS  11           H        CYS  11   3.998  -1.270   5.724
   70    HA   CYS  11           HA       CYS  11   4.300  -0.264   2.992
   71   1HB   CYS  11          1HB       CYS  11   2.711   1.253   4.990
   72   2HB   CYS  11          2HB       CYS  11   2.471   1.059   3.265
   73    H    ALA  12           H        ALA  12   6.649  -0.514   4.474
   74    HA   ALA  12           HA       ALA  12   7.109   2.222   5.449
   75   1HB   ALA  12          1HB       ALA  12   9.110   0.204   6.175
   76   2HB   ALA  12          2HB       ALA  12   7.481  -0.215   6.755
   77   3HB   ALA  12          3HB       ALA  12   8.213   1.342   7.209
   78    H    VAL  13           H        VAL  13   7.047   1.915   2.714
   79    HA   VAL  13           HA       VAL  13   9.761   1.359   1.848
   80    HB   VAL  13           HB       VAL  13   7.760   2.418  -0.045
   81   1HG1  VAL  13          1HG1      VAL  13  10.012   0.526   0.027
   82   2HG1  VAL  13          2HG1      VAL  13   8.638  -0.022  -0.962
   83   3HG1  VAL  13          3HG1      VAL  13   9.409   1.546  -1.301
   84   1HG2  VAL  13          1HG2      VAL  13   7.234  -0.011   1.639
   85   2HG2  VAL  13          2HG2      VAL  13   6.104   1.222   1.032
   86   3HG2  VAL  13          3HG2      VAL  13   6.749  -0.015  -0.073
   87    HA   PRO  14           HA       PRO  14  10.902   5.527   1.829
   88   1HB   PRO  14          1HB       PRO  14  12.923   5.520  -0.010
   89   2HB   PRO  14          2HB       PRO  14  13.134   4.990   1.647
   90   1HG   PRO  14          1HG       PRO  14  12.929   3.357  -0.808
   91   2HG   PRO  14          2HG       PRO  14  13.553   2.901   0.765
   92   1HD   PRO  14          1HD       PRO  14  11.001   2.196  -0.340
   93   2HD   PRO  14          2HD       PRO  14  11.579   1.839   1.275
   94    H    ALA  15           H        ALA  15   9.102   4.214  -0.494
   95    HA   ALA  15           HA       ALA  15   7.653   5.291  -1.840
   96   1HB   ALA  15          1HB       ALA  15   8.624   7.439  -0.460
   97   2HB   ALA  15          2HB       ALA  15   7.452   7.559  -1.794
   98   3HB   ALA  15          3HB       ALA  15   9.185   7.822  -2.106
   99    H    LYS  16           H        LYS  16  11.170   5.363  -2.181
  100    HA   LYS  16           HA       LYS  16  10.985   5.570  -5.064
  101   1HB   LYS  16          1HB       LYS  16  13.415   5.607  -4.999
  102   2HB   LYS  16          2HB       LYS  16  12.753   6.780  -3.878
  103   1HG   LYS  16          1HG       LYS  16  14.298   5.791  -2.465
  104   2HG   LYS  16          2HG       LYS  16  12.942   4.726  -2.151
  105   1HD   LYS  16          1HD       LYS  16  14.267   2.999  -2.795
  106   2HD   LYS  16          2HD       LYS  16  14.134   3.602  -4.436
  107   1HE   LYS  16          1HE       LYS  16  16.209   4.730  -4.342
  108   2HE   LYS  16          2HE       LYS  16  16.186   4.849  -2.594
  109   1HZ   LYS  16          1HZ       LYS  16  16.329   2.239  -3.899
  110   2HZ   LYS  16          2HZ       LYS  16  17.678   3.127  -3.660
  111   3HZ   LYS  16          3HZ       LYS  16  16.780   2.646  -2.383
  112    H    ASP  17           H        ASP  17  10.145   3.220  -2.997
  113    HA   ASP  17           HA       ASP  17  11.171   1.183  -4.804
  114   1HB   ASP  17          1HB       ASP  17  11.725   1.450  -2.001
  115   2HB   ASP  17          2HB       ASP  17  10.627   0.094  -2.162
  116    H    ARG  18           H        ARG  18   8.591   2.824  -4.487
  117    HA   ARG  18           HA       ARG  18   6.699   1.055  -3.376
  118   1HB   ARG  18          1HB       ARG  18   6.147   3.350  -5.315
  119   2HB   ARG  18          2HB       ARG  18   5.045   2.685  -4.126
  120   1HG   ARG  18          1HG       ARG  18   7.700   3.859  -3.239
  121   2HG   ARG  18          2HG       ARG  18   6.348   4.918  -3.585
  122   1HD   ARG  18          1HD       ARG  18   5.192   2.916  -1.989
  123   2HD   ARG  18          2HD       ARG  18   6.778   3.128  -1.274
  124    HE   ARG  18           HE       ARG  18   5.307   5.625  -1.861
  125   1HH1  ARG  18          1HH1      ARG  18   6.158   3.191   0.534
  126   2HH1  ARG  18          2HH1      ARG  18   5.784   4.207   1.886
  127   1HH2  ARG  18          1HH2      ARG  18   4.813   6.965  -0.077
  128   2HH2  ARG  18          2HH2      ARG  18   5.014   6.368   1.536
  129    H    VAL  19           H        VAL  19   6.013  -0.819  -4.362
  130    HA   VAL  19           HA       VAL  19   6.616  -1.363  -7.064
  131    HB   VAL  19           HB       VAL  19   4.708  -2.760  -5.179
  132   1HG1  VAL  19          1HG1      VAL  19   6.008  -3.537  -7.788
  133   2HG1  VAL  19          2HG1      VAL  19   5.515  -4.770  -6.603
  134   3HG1  VAL  19          3HG1      VAL  19   4.303  -3.667  -7.296
  135   1HG2  VAL  19          1HG2      VAL  19   7.709  -2.976  -5.513
  136   2HG2  VAL  19          2HG2      VAL  19   6.779  -2.649  -4.030
  137   3HG2  VAL  19          3HG2      VAL  19   6.726  -4.264  -4.776
  138    H    ASP  20           H        ASP  20   4.073   0.394  -5.483
  139    HA   ASP  20           HA       ASP  20   2.206   1.267  -6.159
  140   1HB   ASP  20          1HB       ASP  20   3.427   2.481  -7.806
  141   2HB   ASP  20          2HB       ASP  20   3.721   1.051  -8.776
  142    H    CYS  21           H        CYS  21   0.429  -0.106  -5.856
  143    HA   CYS  21           HA       CYS  21   0.210  -2.511  -7.388
  144   1HB   CYS  21          1HB       CYS  21  -2.191  -2.081  -6.005
  145   2HB   CYS  21          2HB       CYS  21  -0.874  -3.156  -5.580
  146    H    GLY  22           H        GLY  22  -0.576   0.814  -7.778
  147   1HA   GLY  22          1HA       GLY  22  -1.800   0.466 -10.271
  148   2HA   GLY  22          2HA       GLY  22  -1.762   1.938  -9.320
  149    H    TYR  23           H        TYR  23  -3.571   2.578  -8.101
  150    HA   TYR  23           HA       TYR  23  -6.012   1.211  -8.781
  151   1HB   TYR  23          1HB       TYR  23  -4.616   0.474  -6.465
  152   2HB   TYR  23          2HB       TYR  23  -5.616   1.774  -5.847
  153    HD1  TYR  23           HD1      TYR  23  -6.369  -0.866  -8.404
  154    HD2  TYR  23           HD2      TYR  23  -7.294   0.785  -4.567
  155    HE1  TYR  23           HE1      TYR  23  -8.326  -2.473  -8.176
  156    HE2  TYR  23           HE2      TYR  23  -9.247  -0.828  -4.352
  157    HH   TYR  23           HH       TYR  23  -9.644  -3.471  -6.485
  158    HA   PRO  24           HA       PRO  24  -7.330   5.325  -8.465
  159   1HB   PRO  24          1HB       PRO  24 -10.035   4.977  -8.639
  160   2HB   PRO  24          2HB       PRO  24  -8.978   4.986 -10.037
  161   1HG   PRO  24          1HG       PRO  24 -10.288   2.687  -8.720
  162   2HG   PRO  24          2HG       PRO  24  -9.595   2.783 -10.327
  163   1HD   PRO  24          1HD       PRO  24  -8.428   1.529  -8.026
  164   2HD   PRO  24          2HD       PRO  24  -7.686   1.726  -9.601
  165    H    HIS  25           H        HIS  25 -10.104   3.915  -6.893
  166    HA   HIS  25           HA       HIS  25 -10.067   5.785  -4.859
  167   1HB   HIS  25          1HB       HIS  25 -11.637   4.167  -3.718
  168   2HB   HIS  25          2HB       HIS  25 -12.094   4.692  -5.326
  169    HD1  HIS  25           HD1      HIS  25 -13.572   2.524  -5.572
  170    HD2  HIS  25           HD2      HIS  25  -9.459   1.816  -5.149
  171    HE1  HIS  25           HE1      HIS  25 -13.195   0.087  -6.228
  172    HE2  HIS  25           HE2      HIS  25 -10.642  -0.274  -6.001
  173    H    VAL  26           H        VAL  26  -7.884   5.939  -4.069
  174    HA   VAL  26           HA       VAL  26  -7.103   3.633  -2.421
  175    HB   VAL  26           HB       VAL  26  -4.805   4.488  -2.658
  176   1HG1  VAL  26          1HG1      VAL  26  -6.419   3.644  -5.047
  177   2HG1  VAL  26          2HG1      VAL  26  -4.695   4.042  -5.248
  178   3HG1  VAL  26          3HG1      VAL  26  -5.185   2.746  -4.130
  179   1HG2  VAL  26          1HG2      VAL  26  -6.076   6.473  -4.571
  180   2HG2  VAL  26          2HG2      VAL  26  -5.210   6.836  -3.059
  181   3HG2  VAL  26          3HG2      VAL  26  -4.328   6.161  -4.449
  182    H    THR  27           H        THR  27  -7.427   3.942  -0.286
  183    HA   THR  27           HA       THR  27  -7.151   6.697   0.719
  184    HB   THR  27           HB       THR  27  -9.130   6.399   2.021
  185    HG1  THR  27           HG1      THR  27  -8.551   3.613   1.342
  186   1HG2  THR  27          1HG2      THR  27  -9.703   6.446  -0.462
  187   2HG2  THR  27          2HG2      THR  27  -9.680   4.666  -0.443
  188   3HG2  THR  27          3HG2      THR  27 -10.884   5.551   0.525
  189    HA   PRO  28           HA       PRO  28  -4.578   5.114   3.768
  190   1HB   PRO  28          1HB       PRO  28  -5.272   6.441   6.054
  191   2HB   PRO  28          2HB       PRO  28  -4.301   7.161   4.786
  192   1HG   PRO  28          1HG       PRO  28  -7.143   7.642   5.443
  193   2HG   PRO  28          2HG       PRO  28  -6.055   8.630   4.488
  194   1HD   PRO  28          1HD       PRO  28  -8.119   6.902   3.499
  195   2HD   PRO  28          2HD       PRO  28  -6.957   7.799   2.543
  196    H    LYS  29           H        LYS  29  -6.776   3.425   3.201
  197    HA   LYS  29           HA       LYS  29  -6.482   1.636   5.301
  198   1HB   LYS  29          1HB       LYS  29  -7.955   3.546   6.343
  199   2HB   LYS  29          2HB       LYS  29  -9.250   2.800   5.428
  200   1HG   LYS  29          1HG       LYS  29  -7.562   0.848   6.899
  201   2HG   LYS  29          2HG       LYS  29  -8.387   1.986   7.945
  202   1HD   LYS  29          1HD       LYS  29 -10.543   1.312   7.204
  203   2HD   LYS  29          2HD       LYS  29  -9.924   0.610   5.723
  204   1HE   LYS  29          1HE       LYS  29  -9.126  -0.521   8.431
  205   2HE   LYS  29          2HE       LYS  29 -10.627  -1.002   7.665
  206   1HZ   LYS  29          1HZ       LYS  29  -8.431  -1.087   5.875
  207   2HZ   LYS  29          2HZ       LYS  29  -8.198  -2.055   7.169
  208   3HZ   LYS  29          3HZ       LYS  29  -9.522  -2.248   6.233
  209    H    GLU  30           H        GLU  30  -8.873   2.917   2.896
  210    HA   GLU  30           HA       GLU  30  -9.847   0.398   2.238
  211   1HB   GLU  30          1HB       GLU  30 -10.671   2.898   1.715
  212   2HB   GLU  30          2HB       GLU  30  -9.826   2.620   0.205
  213   1HG   GLU  30          1HG       GLU  30 -11.216   0.761  -0.375
  214   2HG   GLU  30          2HG       GLU  30 -11.793   0.563   1.268
  215    H    CYS  31           H        CYS  31  -7.151   2.401   0.960
  216    HA   CYS  31           HA       CYS  31  -6.647   0.824  -1.290
  217   1HB   CYS  31          1HB       CYS  31  -5.619   2.830  -1.494
  218   2HB   CYS  31          2HB       CYS  31  -5.242   2.951   0.213
  219    H    ASN  32           H        ASN  32  -5.750   0.645   2.167
  220    HA   ASN  32           HA       ASN  32  -3.939  -1.525   1.619
  221   1HB   ASN  32          1HB       ASN  32  -3.192   0.030   3.328
  222   2HB   ASN  32          2HB       ASN  32  -4.743  -0.006   4.143
  223   2HD2  ASN  32          2HD2      ASN  32  -4.297  -0.798   6.075
  224   1HD2  ASN  32          1HD2      ASN  32  -3.534  -2.315   6.416
  225    H    ASN  33           H        ASN  33  -7.229  -1.157   1.794
  226    HA   ASN  33           HA       ASN  33  -7.682  -3.459   3.485
  227   1HB   ASN  33          1HB       ASN  33  -9.133  -1.420   3.756
  228   2HB   ASN  33          2HB       ASN  33  -9.655  -1.573   2.090
  229   2HD2  ASN  33          2HD2      ASN  33 -11.410  -2.683   1.678
  230   1HD2  ASN  33          1HD2      ASN  33 -12.194  -3.825   2.719
  231    H    ARG  34           H        ARG  34  -7.959  -2.201   0.127
  232    HA   ARG  34           HA       ARG  34  -9.422  -4.315  -0.899
  233   1HB   ARG  34          1HB       ARG  34  -8.586  -1.919  -1.878
  234   2HB   ARG  34          2HB       ARG  34  -7.383  -2.940  -2.640
  235   1HG   ARG  34          1HG       ARG  34 -10.404  -3.049  -2.953
  236   2HG   ARG  34          2HG       ARG  34  -9.195  -2.832  -4.203
  237   1HD   ARG  34          1HD       ARG  34  -8.370  -5.174  -3.792
  238   2HD   ARG  34          2HD       ARG  34  -9.613  -5.387  -2.576
  239    HE   ARG  34           HE       ARG  34 -11.022  -4.553  -4.828
  240   1HH1  ARG  34          1HH1      ARG  34  -8.790  -7.182  -4.133
  241   2HH1  ARG  34          2HH1      ARG  34  -9.490  -8.255  -5.298
  242   1HH2  ARG  34          1HH2      ARG  34 -11.947  -5.968  -6.365
  243   2HH2  ARG  34          2HH2      ARG  34 -11.298  -7.560  -6.576
  244    H    GLY  35           H        GLY  35  -6.070  -3.996   0.066
  245   1HA   GLY  35          1HA       GLY  35  -5.431  -6.561  -1.268
  246   2HA   GLY  35          2HA       GLY  35  -4.978  -6.183   0.382
  247    H    CYS  36           H        CYS  36  -3.652  -4.057   0.669
  248    HA   CYS  36           HA       CYS  36  -1.297  -4.302  -0.698
  249   1HB   CYS  36          1HB       CYS  36  -3.088  -3.186  -2.446
  250   2HB   CYS  36          2HB       CYS  36  -2.346  -1.760  -1.748
  251    H    CYS  37           H        CYS  37  -0.657  -1.380  -0.730
  252    HA   CYS  37           HA       CYS  37  -1.184  -0.733   2.075
  253   1HB   CYS  37          1HB       CYS  37   1.447  -0.958   0.673
  254   2HB   CYS  37          2HB       CYS  37   1.248   0.294   1.883
  255    H    PHE  38           H        PHE  38  -1.205   1.604   2.493
  256    HA   PHE  38           HA       PHE  38  -1.525   3.151   0.017
  257   1HB   PHE  38          1HB       PHE  38  -3.628   2.836   1.299
  258   2HB   PHE  38          2HB       PHE  38  -2.824   3.248   2.801
  259    HD1  PHE  38           HD1      PHE  38  -2.300   5.573   3.336
  260    HD2  PHE  38           HD2      PHE  38  -4.322   4.561  -0.256
  261    HE1  PHE  38           HE1      PHE  38  -2.978   7.972   3.041
  262    HE2  PHE  38           HE2      PHE  38  -4.999   6.959  -0.551
  263    HZ   PHE  38           HZ       PHE  38  -4.319   8.636   1.101
  264    H    ASP  39           H        ASP  39  -1.363   5.672   0.629
  265    HA   ASP  39           HA       ASP  39   0.283   6.401   2.720
  266   1HB   ASP  39          1HB       ASP  39   2.132   5.280   1.686
  267   2HB   ASP  39          2HB       ASP  39   1.660   5.800   0.081
  268    H    SER  40           H        SER  40   0.418   8.739   2.755
  269    HA   SER  40           HA       SER  40  -0.497  10.053   0.328
  270   1HB   SER  40          1HB       SER  40  -1.979  11.519   1.650
  271   2HB   SER  40          2HB       SER  40  -2.448   9.840   1.824
  272    HG   SER  40           HG       SER  40  -0.583  10.591   3.746
  273    H    ARG  41           H        ARG  41   2.113   9.592   1.991
  274    HA   ARG  41           HA       ARG  41   2.757  12.018   3.165
  275   1HB   ARG  41          1HB       ARG  41   3.932   9.574   3.102
  276   2HB   ARG  41          2HB       ARG  41   4.915  10.350   1.876
  277   1HG   ARG  41          1HG       ARG  41   5.496  12.174   3.460
  278   2HG   ARG  41          2HG       ARG  41   4.457  11.468   4.683
  279   1HD   ARG  41          1HD       ARG  41   6.024   9.294   4.094
  280   2HD   ARG  41          2HD       ARG  41   7.160  10.582   3.745
  281    HE   ARG  41           HE       ARG  41   5.972  11.244   6.219
  282   1HH1  ARG  41          1HH1      ARG  41   7.950   8.644   4.911
  283   2HH1  ARG  41          2HH1      ARG  41   8.700   8.279   6.429
  284   1HH2  ARG  41          1HH2      ARG  41   6.961  10.763   8.222
  285   2HH2  ARG  41          2HH2      ARG  41   8.133   9.493   8.325
  286    H    ILE  42           H        ILE  42   3.247  10.673  -0.153
  287    HA   ILE  42           HA       ILE  42   3.547  13.380  -1.138
  288    HB   ILE  42           HB       ILE  42   5.541  12.150  -2.538
  289   1HG1  ILE  42          1HG1      ILE  42   7.070  11.166  -0.850
  290   2HG1  ILE  42          2HG1      ILE  42   5.788  11.233   0.342
  291   1HG2  ILE  42          1HG2      ILE  42   5.275  14.229  -0.507
  292   2HG2  ILE  42          2HG2      ILE  42   6.884  13.468  -0.509
  293   3HG2  ILE  42          3HG2      ILE  42   6.242  14.196  -2.001
  294   1HD1  ILE  42          1HD1      ILE  42   5.018   9.933  -2.225
  295   2HD1  ILE  42          2HD1      ILE  42   6.259   9.073  -1.282
  296   3HD1  ILE  42          3HD1      ILE  42   4.677   9.436  -0.551
  297    HA   PRO  43           HA       PRO  43   1.078  11.466  -4.145
  298   1HB   PRO  43          1HB       PRO  43   0.774  13.592  -5.836
  299   2HB   PRO  43          2HB       PRO  43  -0.200  13.365  -4.396
  300   1HG   PRO  43          1HG       PRO  43   2.024  15.259  -4.850
  301   2HG   PRO  43          2HG       PRO  43   0.783  15.299  -3.613
  302   1HD   PRO  43          1HD       PRO  43   3.514  14.488  -3.280
  303   2HD   PRO  43          2HD       PRO  43   2.246  14.418  -2.073
  304    H    GLY  44           H        GLY  44   3.940  13.232  -5.106
  305   1HA   GLY  44          1HA       GLY  44   5.587  12.585  -6.516
  306   2HA   GLY  44          2HA       GLY  44   4.279  12.504  -7.680
  307    H    VAL  45           H        VAL  45   4.400  10.371  -4.818
  308    HA   VAL  45           HA       VAL  45   5.316   8.180  -6.527
  309    HB   VAL  45           HB       VAL  45   6.183   7.205  -4.675
  310   1HG1  VAL  45          1HG1      VAL  45   6.052  10.134  -3.888
  311   2HG1  VAL  45          2HG1      VAL  45   7.109   8.928  -3.115
  312   3HG1  VAL  45          3HG1      VAL  45   7.322   9.324  -4.837
  313   1HG2  VAL  45          1HG2      VAL  45   3.948   8.508  -3.102
  314   2HG2  VAL  45          2HG2      VAL  45   4.220   6.778  -3.418
  315   3HG2  VAL  45          3HG2      VAL  45   5.307   7.664  -2.322
  316    HA   PRO  46           HA       PRO  46   1.447   6.254  -6.402
  317   1HB   PRO  46          1HB       PRO  46   1.983   3.601  -6.027
  318   2HB   PRO  46          2HB       PRO  46   2.177   4.409  -7.570
  319   1HG   PRO  46          1HG       PRO  46   4.257   3.548  -5.654
  320   2HG   PRO  46          2HG       PRO  46   4.428   3.957  -7.350
  321   1HD   PRO  46          1HD       PRO  46   5.149   5.595  -5.108
  322   2HD   PRO  46          2HD       PRO  46   5.211   6.048  -6.799
  323    H    TRP  47           H        TRP  47   0.550   7.386  -4.633
  324    HA   TRP  47           HA       TRP  47   0.826   7.033  -2.060
  325   1HB   TRP  47          1HB       TRP  47  -1.617   7.332  -3.735
  326   2HB   TRP  47          2HB       TRP  47  -1.841   6.970  -2.035
  327    HD1  TRP  47           HD1      TRP  47   1.091   9.238  -3.069
  328    HE1  TRP  47           HE1      TRP  47   0.738  11.712  -2.221
  329    HE3  TRP  47           HE3      TRP  47  -3.684   8.561  -1.459
  330    HZ2  TRP  47           HZ2      TRP  47  -1.451  13.077  -1.000
  331    HZ3  TRP  47           HZ3      TRP  47  -4.858  10.516  -0.451
  332    HH2  TRP  47           HH2      TRP  47  -3.818  12.715  -0.210
  333    H    CYS  48           H        CYS  48  -1.077   4.740  -4.146
  334    HA   CYS  48           HA       CYS  48  -1.062   2.842  -1.952
  335   1HB   CYS  48          1HB       CYS  48  -3.098   3.443  -3.443
  336   2HB   CYS  48          2HB       CYS  48  -2.347   2.400  -4.634
  337    H    PHE  49           H        PHE  49   0.513   1.275  -1.855
  338    HA   PHE  49           HA       PHE  49   1.631   0.312  -4.360
  339   1HB   PHE  49          1HB       PHE  49   3.936   0.538  -3.151
  340   2HB   PHE  49          2HB       PHE  49   3.226   2.033  -3.727
  341    HD1  PHE  49           HD1      PHE  49   3.358  -0.097  -0.668
  342    HD2  PHE  49           HD2      PHE  49   3.030   3.820  -2.268
  343    HE1  PHE  49           HE1      PHE  49   3.495   0.860   1.648
  344    HE2  PHE  49           HE2      PHE  49   3.166   4.777   0.049
  345    HZ   PHE  49           HZ       PHE  49   3.397   3.286   1.979
  346    H    LYS  50           H        LYS  50   3.053  -1.677  -3.957
  347    HA   LYS  50           HA       LYS  50   1.613  -3.437  -2.264
  348   1HB   LYS  50          1HB       LYS  50   4.248  -3.962  -3.659
  349   2HB   LYS  50          2HB       LYS  50   3.057  -5.137  -3.139
  350   1HG   LYS  50          1HG       LYS  50   1.387  -3.972  -4.717
  351   2HG   LYS  50          2HG       LYS  50   2.742  -3.056  -5.347
  352   1HD   LYS  50          1HD       LYS  50   2.728  -4.854  -6.836
  353   2HD   LYS  50          2HD       LYS  50   3.868  -5.445  -5.644
  354   1HE   LYS  50          1HE       LYS  50   2.327  -6.962  -4.709
  355   2HE   LYS  50          2HE       LYS  50   0.933  -6.032  -5.224
  356   1HZ   LYS  50          1HZ       LYS  50   2.044  -6.666  -7.550
  357   2HZ   LYS  50          2HZ       LYS  50   2.439  -7.986  -6.673
  358   3HZ   LYS  50          3HZ       LYS  50   0.874  -7.549  -6.831
  359    HA   PRO  51           HA       PRO  51   4.005  -3.278   1.324
  360   1HB   PRO  51          1HB       PRO  51   4.076  -5.866   2.198
  361   2HB   PRO  51          2HB       PRO  51   2.686  -4.820   2.411
  362   1HG   PRO  51          1HG       PRO  51   3.055  -7.046   0.501
  363   2HG   PRO  51          2HG       PRO  51   1.567  -6.281   1.021
  364   1HD   PRO  51          1HD       PRO  51   2.919  -5.883  -1.477
  365   2HD   PRO  51          2HD       PRO  51   1.496  -5.033  -0.909
  366    H    LEU  52           H        LEU  52   6.063  -2.779   1.720
  367    HA   LEU  52           HA       LEU  52   8.082  -3.299   0.088
  368   1HB   LEU  52          1HB       LEU  52   8.353  -1.841   1.926
  369   2HB   LEU  52          2HB       LEU  52   8.065  -3.117   3.092
  370    HG   LEU  52           HG       LEU  52  10.476  -2.994   1.260
  371   1HD1  LEU  52          1HD1      LEU  52   9.964  -1.829   3.961
  372   2HD1  LEU  52          2HD1      LEU  52  11.567  -2.529   3.630
  373   3HD1  LEU  52          3HD1      LEU  52  10.942  -1.213   2.608
  374   1HD2  LEU  52          1HD2      LEU  52   9.425  -5.023   3.077
  375   2HD2  LEU  52          2HD2      LEU  52  10.685  -5.140   1.826
  376   3HD2  LEU  52          3HD2      LEU  52  11.100  -4.557   3.456
  377    H    GLN  53           H        GLN  53   9.549  -4.921  -0.432
  378    HA   GLN  53           HA       GLN  53   8.652  -7.510  -0.158
  379   1HB   GLN  53          1HB       GLN  53  11.065  -6.144  -1.212
  380   2HB   GLN  53          2HB       GLN  53  11.354  -7.795  -0.702
  381   1HG   GLN  53          1HG       GLN  53  10.649  -7.597  -3.118
  382   2HG   GLN  53          2HG       GLN  53   9.615  -8.649  -2.172
  383   2HE2  GLN  53          2HE2      GLN  53   9.813  -5.105  -2.290
  384   1HE2  GLN  53          1HE2      GLN  53   8.188  -4.806  -2.810
  385    H    GLU  54           H        GLU  54   8.212  -7.840   2.127
  386    HA   GLU  54           HA       GLU  54  10.031  -7.450   4.124
  387   1HB   GLU  54          1HB       GLU  54   8.643  -8.933   5.461
  388   2HB   GLU  54          2HB       GLU  54   7.600  -7.996   4.410
  389   1HG   GLU  54          1HG       GLU  54   6.701 -10.005   3.808
  390   2HG   GLU  54          2HG       GLU  54   8.128 -10.188   2.808
  391    H    ALA  55           H        ALA  55  12.142  -8.147   4.003
  392    HA   ALA  55           HA       ALA  55  12.528 -11.027   3.827
  393   1HB   ALA  55          1HB       ALA  55  13.540 -10.983   1.820
  394   2HB   ALA  55          2HB       ALA  55  14.606  -9.654   2.338
  395   3HB   ALA  55          3HB       ALA  55  13.007  -9.294   1.642
  396    H    GLU  56           H        GLU  56  14.181  -7.800   4.117
  397    HA   GLU  56           HA       GLU  56  16.121  -8.924   5.855
  398   1HB   GLU  56          1HB       GLU  56  15.547  -6.234   4.663
  399   2HB   GLU  56          2HB       GLU  56  16.488  -6.248   6.141
  400   1HG   GLU  56          1HG       GLU  56  18.028  -7.970   5.061
  401   2HG   GLU  56          2HG       GLU  56  17.141  -7.752   3.565
  402    H    CYS  57           H        CYS  57  14.548  -9.843   7.450
  403    HA   CYS  57           HA       CYS  57  14.460  -8.380   9.755
  404   1HB   CYS  57          1HB       CYS  57  12.537  -7.343   8.059
  405   2HB   CYS  57          2HB       CYS  57  11.619  -8.453   9.056
  406    H    THR  58           H        THR  58  12.266 -10.510   7.771
  407    HA   THR  58           HA       THR  58  12.966 -12.818   9.267
  408    HB   THR  58           HB       THR  58  11.473 -11.565  10.908
  409    HG1  THR  58           HG1      THR  58  10.291 -13.932   9.646
  410   1HG2  THR  58          1HG2      THR  58   9.657 -11.701   8.520
  411   2HG2  THR  58          2HG2      THR  58   8.930 -12.140  10.084
  412   3HG2  THR  58          3HG2      THR  58   9.667 -10.535   9.865
  413    H    PHE  59           H        PHE  59  11.707 -14.754   8.532
  414    HA   PHE  59           HA       PHE  59  11.785 -15.105   5.907
  415   1HB   PHE  59          1HB       PHE  59  10.151 -16.151   8.204
  416   2HB   PHE  59          2HB       PHE  59   9.496 -16.545   6.628
  417    HD1  PHE  59           HD1      PHE  59  12.487 -16.891   8.774
  418    HD2  PHE  59           HD2      PHE  59  10.472 -18.237   5.290
  419    HE1  PHE  59           HE1      PHE  59  14.092 -18.812   8.587
  420    HE2  PHE  59           HE2      PHE  59  12.077 -20.157   5.104
  421    HZ   PHE  59           HZ       PHE  59  13.868 -20.422   6.754

  No H/Q in entry =         421
  Start of MODEL   83
    1    H    GLU   1           H        GLU   1   5.824 -13.808  18.627
    2    HA   GLU   1           HA       GLU   1   7.219 -13.108  20.289
    3   1HB   GLU   1          1HB       GLU   1   8.835 -15.501  19.429
    4   2HB   GLU   1          2HB       GLU   1   9.674 -14.182  20.222
    5   1HG   GLU   1          1HG       GLU   1   8.399 -14.401  22.224
    6   2HG   GLU   1          2HG       GLU   1   7.121 -15.295  21.426
    7    H    GLU   2           H        GLU   2   6.653 -12.167  17.655
    8    HA   GLU   2           HA       GLU   2   8.314 -10.160  17.316
    9   1HB   GLU   2          1HB       GLU   2   9.653 -12.622  16.371
   10   2HB   GLU   2          2HB       GLU   2   9.620 -11.353  15.163
   11   1HG   GLU   2          1HG       GLU   2  10.351 -10.510  17.949
   12   2HG   GLU   2          2HG       GLU   2  11.522 -11.510  17.112
   13    H    TYR   3           H        TYR   3   8.118  -9.084  15.110
   14    HA   TYR   3           HA       TYR   3   5.805 -10.205  13.673
   15   1HB   TYR   3          1HB       TYR   3   6.155  -7.802  15.162
   16   2HB   TYR   3          2HB       TYR   3   6.396  -7.284  13.505
   17    HD1  TYR   3           HD1      TYR   3   4.390  -9.542  12.455
   18    HD2  TYR   3           HD2      TYR   3   4.142  -6.410  15.359
   19    HE1  TYR   3           HE1      TYR   3   1.871  -9.429  12.128
   20    HE2  TYR   3           HE2      TYR   3   1.624  -6.308  15.022
   21    HH   TYR   3           HH       TYR   3  -0.116  -8.647  13.723
   22    H    VAL   4           H        VAL   4   5.719  -8.531  11.493
   23    HA   VAL   4           HA       VAL   4   8.078  -7.847  10.280
   24    HB   VAL   4           HB       VAL   4   8.934 -10.015  10.380
   25   1HG1  VAL   4          1HG1      VAL   4   6.843 -11.145  11.070
   26   2HG1  VAL   4          2HG1      VAL   4   6.275 -11.095   9.384
   27   3HG1  VAL   4          3HG1      VAL   4   7.716 -12.048   9.810
   28   1HG2  VAL   4          1HG2      VAL   4   8.228  -8.891   7.881
   29   2HG2  VAL   4          2HG2      VAL   4   9.557 -10.019   8.239
   30   3HG2  VAL   4          3HG2      VAL   4   7.969 -10.646   7.738
   31    H    GLY   5           H        GLY   5   6.742  -6.194   9.497
   32   1HA   GLY   5          1HA       GLY   5   4.821  -7.068   7.428
   33   2HA   GLY   5          2HA       GLY   5   5.764  -5.592   7.386
   34    H    LEU   6           H        LEU   6   5.485  -4.555   9.969
   35    HA   LEU   6           HA       LEU   6   2.750  -4.612  10.774
   36   1HB   LEU   6          1HB       LEU   6   3.449  -2.916  12.384
   37   2HB   LEU   6          2HB       LEU   6   4.473  -4.337  12.408
   38    HG   LEU   6           HG       LEU   6   5.674  -2.480  10.616
   39   1HD1  LEU   6          1HD1      LEU   6   4.100  -0.948  12.124
   40   2HD1  LEU   6          2HD1      LEU   6   5.471  -1.101  13.248
   41   3HD1  LEU   6          3HD1      LEU   6   5.728  -0.440  11.616
   42   1HD2  LEU   6          1HD2      LEU   6   6.592  -4.297  12.260
   43   2HD2  LEU   6          2HD2      LEU   6   7.566  -2.858  11.873
   44   3HD2  LEU   6          3HD2      LEU   6   6.668  -2.939  13.408
   45    H    SER   7           H        SER   7   2.145  -1.922  11.292
   46    HA   SER   7           HA       SER   7   0.984  -1.194   8.931
   47   1HB   SER   7          1HB       SER   7   0.139   0.615  10.111
   48   2HB   SER   7          2HB       SER   7   0.644  -0.403  11.446
   49    HG   SER   7           HG       SER   7   1.751   2.029  10.502
   50    H    ALA   8           H        ALA   8   4.284  -0.891   9.947
   51    HA   ALA   8           HA       ALA   8   4.764   1.108   7.844
   52   1HB   ALA   8          1HB       ALA   8   5.402   1.265  10.520
   53   2HB   ALA   8          2HB       ALA   8   6.244   2.139   9.218
   54   3HB   ALA   8          3HB       ALA   8   6.899   0.599   9.824
   55    H    ASN   9           H        ASN   9   6.775  -1.360   9.587
   56    HA   ASN   9           HA       ASN   9   8.570  -2.029   7.945
   57   1HB   ASN   9          1HB       ASN   9   7.365  -3.432   9.937
   58   2HB   ASN   9          2HB       ASN   9   6.828  -4.412   8.587
   59   2HD2  ASN   9          2HD2      ASN   9   8.430  -5.481  10.486
   60   1HD2  ASN   9          1HD2      ASN   9  10.017  -5.804   9.872
   61    H    GLN  10           H        GLN  10   5.122  -3.069   7.438
   62    HA   GLN  10           HA       GLN  10   5.675  -4.311   4.978
   63   1HB   GLN  10          1HB       GLN  10   3.614  -4.444   6.737
   64   2HB   GLN  10          2HB       GLN  10   2.908  -3.327   5.585
   65   1HG   GLN  10          1HG       GLN  10   3.671  -5.033   3.753
   66   2HG   GLN  10          2HG       GLN  10   3.898  -6.158   5.078
   67   2HE2  GLN  10          2HE2      GLN  10   1.888  -5.589   6.785
   68   1HE2  GLN  10          1HE2      GLN  10   0.339  -5.901   6.076
   69    H    CYS  11           H        CYS  11   3.891  -1.249   5.821
   70    HA   CYS  11           HA       CYS  11   4.333  -0.385   3.072
   71   1HB   CYS  11          1HB       CYS  11   2.638   1.155   4.988
   72   2HB   CYS  11          2HB       CYS  11   2.497   0.984   3.249
   73    H    ALA  12           H        ALA  12   6.660  -0.464   4.586
   74    HA   ALA  12           HA       ALA  12   7.023   2.336   5.409
   75   1HB   ALA  12          1HB       ALA  12   9.106   1.156   6.566
   76   2HB   ALA  12          2HB       ALA  12   7.500   1.135   7.333
   77   3HB   ALA  12          3HB       ALA  12   8.075  -0.288   6.432
   78    H    VAL  13           H        VAL  13   7.012   2.045   2.732
   79    HA   VAL  13           HA       VAL  13   9.733   1.454   1.888
   80    HB   VAL  13           HB       VAL  13   7.761   2.439  -0.063
   81   1HG1  VAL  13          1HG1      VAL  13  10.035   0.629   0.094
   82   2HG1  VAL  13          2HG1      VAL  13   8.661  -0.118  -0.756
   83   3HG1  VAL  13          3HG1      VAL  13   9.316   1.438  -1.320
   84   1HG2  VAL  13          1HG2      VAL  13   7.194   0.042   1.672
   85   2HG2  VAL  13          2HG2      VAL  13   6.089   1.318   1.106
   86   3HG2  VAL  13          3HG2      VAL  13   6.667   0.073  -0.028
   87    HA   PRO  14           HA       PRO  14  10.821   5.635   1.777
   88   1HB   PRO  14          1HB       PRO  14  12.886   5.593  -0.013
   89   2HB   PRO  14          2HB       PRO  14  13.063   5.122   1.665
   90   1HG   PRO  14          1HG       PRO  14  12.938   3.406  -0.739
   91   2HG   PRO  14          2HG       PRO  14  13.529   3.010   0.863
   92   1HD   PRO  14          1HD       PRO  14  11.013   2.236  -0.278
   93   2HD   PRO  14          2HD       PRO  14  11.556   1.940   1.362
   94    H    ALA  15           H        ALA  15   9.165   4.185  -0.609
   95    HA   ALA  15           HA       ALA  15   7.720   5.196  -2.018
   96   1HB   ALA  15          1HB       ALA  15   9.245   7.759  -2.221
   97   2HB   ALA  15          2HB       ALA  15   7.490   7.477  -2.120
   98   3HB   ALA  15          3HB       ALA  15   8.491   7.390  -0.651
   99    H    LYS  16           H        LYS  16  11.241   5.330  -2.228
  100    HA   LYS  16           HA       LYS  16  11.166   5.482  -5.120
  101   1HB   LYS  16          1HB       LYS  16  13.583   5.575  -4.967
  102   2HB   LYS  16          2HB       LYS  16  12.866   6.737  -3.869
  103   1HG   LYS  16          1HG       LYS  16  14.471   5.741  -2.483
  104   2HG   LYS  16          2HG       LYS  16  13.049   4.798  -2.082
  105   1HD   LYS  16          1HD       LYS  16  13.990   2.888  -2.878
  106   2HD   LYS  16          2HD       LYS  16  14.382   3.643  -4.410
  107   1HE   LYS  16          1HE       LYS  16  16.565   3.518  -3.785
  108   2HE   LYS  16          2HE       LYS  16  16.226   4.811  -2.651
  109   1HZ   LYS  16          1HZ       LYS  16  15.364   2.754  -1.272
  110   2HZ   LYS  16          2HZ       LYS  16  16.502   1.988  -2.158
  111   3HZ   LYS  16          3HZ       LYS  16  16.918   3.256  -1.217
  112    H    ASP  17           H        ASP  17  10.247   3.160  -3.076
  113    HA   ASP  17           HA       ASP  17  11.404   1.105  -4.780
  114   1HB   ASP  17          1HB       ASP  17  12.545   0.858  -2.667
  115   2HB   ASP  17          2HB       ASP  17  11.070   1.114  -1.756
  116    H    ARG  18           H        ARG  18   8.786   2.732  -4.608
  117    HA   ARG  18           HA       ARG  18   6.861   0.923  -3.613
  118   1HB   ARG  18          1HB       ARG  18   6.357   3.232  -5.545
  119   2HB   ARG  18          2HB       ARG  18   5.229   2.548  -4.392
  120   1HG   ARG  18          1HG       ARG  18   7.835   3.708  -3.379
  121   2HG   ARG  18          2HG       ARG  18   6.540   4.799  -3.831
  122   1HD   ARG  18          1HD       ARG  18   5.171   2.926  -2.303
  123   2HD   ARG  18          2HD       ARG  18   6.729   2.955  -1.502
  124    HE   ARG  18           HE       ARG  18   5.537   5.599  -2.104
  125   1HH1  ARG  18          1HH1      ARG  18   6.091   3.066   0.276
  126   2HH1  ARG  18          2HH1      ARG  18   5.775   4.096   1.633
  127   1HH2  ARG  18          1HH2      ARG  18   5.120   6.957  -0.314
  128   2HH2  ARG  18          2HH2      ARG  18   5.219   6.324   1.295
  129    H    VAL  19           H        VAL  19   5.566  -0.566  -4.768
  130    HA   VAL  19           HA       VAL  19   6.513  -1.157  -7.453
  131    HB   VAL  19           HB       VAL  19   4.482  -2.760  -5.945
  132   1HG1  VAL  19          1HG1      VAL  19   6.215  -3.093  -8.260
  133   2HG1  VAL  19          2HG1      VAL  19   6.440  -4.404  -7.077
  134   3HG1  VAL  19          3HG1      VAL  19   4.820  -4.063  -7.730
  135   1HG2  VAL  19          1HG2      VAL  19   7.438  -2.578  -5.310
  136   2HG2  VAL  19          2HG2      VAL  19   6.054  -2.405  -4.203
  137   3HG2  VAL  19          3HG2      VAL  19   6.447  -3.997  -4.896
  138    H    ASP  20           H        ASP  20   4.384   0.987  -6.195
  139    HA   ASP  20           HA       ASP  20   2.475   1.867  -6.786
  140   1HB   ASP  20          1HB       ASP  20   4.060   2.344  -8.757
  141   2HB   ASP  20          2HB       ASP  20   3.262   1.042  -9.616
  142    H    CYS  21           H        CYS  21   0.856   0.425  -5.953
  143    HA   CYS  21           HA       CYS  21   0.241  -2.029  -7.127
  144   1HB   CYS  21          1HB       CYS  21  -0.458  -0.681  -4.821
  145   2HB   CYS  21          2HB       CYS  21  -1.968  -0.727  -5.710
  146    H    GLY  22           H        GLY  22  -0.296   1.226  -8.121
  147   1HA   GLY  22          1HA       GLY  22  -1.511   0.613 -10.520
  148   2HA   GLY  22          2HA       GLY  22  -1.535   2.180  -9.735
  149    H    TYR  23           H        TYR  23  -3.198   2.434  -7.874
  150    HA   TYR  23           HA       TYR  23  -5.690   1.190  -8.786
  151   1HB   TYR  23          1HB       TYR  23  -4.271   0.465  -6.490
  152   2HB   TYR  23          2HB       TYR  23  -5.256   1.768  -5.855
  153    HD1  TYR  23           HD1      TYR  23  -5.553  -1.405  -7.826
  154    HD2  TYR  23           HD2      TYR  23  -7.425   1.319  -5.109
  155    HE1  TYR  23           HE1      TYR  23  -7.511  -3.004  -7.560
  156    HE2  TYR  23           HE2      TYR  23  -9.377  -0.290  -4.852
  157    HH   TYR  23           HH       TYR  23 -10.392  -2.055  -5.835
  158    HA   PRO  24           HA       PRO  24  -7.074   5.284  -8.477
  159   1HB   PRO  24          1HB       PRO  24  -9.770   4.886  -8.681
  160   2HB   PRO  24          2HB       PRO  24  -8.699   4.922 -10.068
  161   1HG   PRO  24          1HG       PRO  24  -9.980   2.592  -8.775
  162   2HG   PRO  24          2HG       PRO  24  -9.272   2.709 -10.374
  163   1HD   PRO  24          1HD       PRO  24  -8.106   1.466  -8.067
  164   2HD   PRO  24          2HD       PRO  24  -7.351   1.685  -9.633
  165    H    HIS  25           H        HIS  25  -9.906   3.951  -6.989
  166    HA   HIS  25           HA       HIS  25  -9.843   5.768  -4.917
  167   1HB   HIS  25          1HB       HIS  25 -11.492   4.177  -3.840
  168   2HB   HIS  25          2HB       HIS  25 -11.898   4.766  -5.439
  169    HD1  HIS  25           HD1      HIS  25 -13.478   2.599  -5.579
  170    HD2  HIS  25           HD2      HIS  25  -9.351   1.852  -5.501
  171    HE1  HIS  25           HE1      HIS  25 -13.174   0.188  -6.355
  172    HE2  HIS  25           HE2      HIS  25 -10.615  -0.196  -6.339
  173    H    VAL  26           H        VAL  26  -7.868   5.932  -3.830
  174    HA   VAL  26           HA       VAL  26  -7.172   3.551  -2.256
  175    HB   VAL  26           HB       VAL  26  -4.819   4.272  -2.436
  176   1HG1  VAL  26          1HG1      VAL  26  -6.370   3.526  -4.915
  177   2HG1  VAL  26          2HG1      VAL  26  -4.598   3.693  -4.950
  178   3HG1  VAL  26          3HG1      VAL  26  -5.359   2.501  -3.868
  179   1HG2  VAL  26          1HG2      VAL  26  -5.990   6.614  -3.595
  180   2HG2  VAL  26          2HG2      VAL  26  -4.284   6.295  -3.202
  181   3HG2  VAL  26          3HG2      VAL  26  -4.925   5.856  -4.803
  182    H    THR  27           H        THR  27  -7.353   3.890  -0.104
  183    HA   THR  27           HA       THR  27  -6.928   6.625   0.873
  184    HB   THR  27           HB       THR  27  -9.008   6.629   2.016
  185    HG1  THR  27           HG1      THR  27  -9.935   4.622   2.622
  186   1HG2  THR  27          1HG2      THR  27  -9.515   4.882  -0.450
  187   2HG2  THR  27          2HG2      THR  27 -10.772   5.739   0.472
  188   3HG2  THR  27          3HG2      THR  27  -9.539   6.661  -0.421
  189    HA   PRO  28           HA       PRO  28  -4.737   4.760   4.058
  190   1HB   PRO  28          1HB       PRO  28  -5.331   6.238   6.278
  191   2HB   PRO  28          2HB       PRO  28  -4.209   6.773   5.044
  192   1HG   PRO  28          1HG       PRO  28  -6.976   7.680   5.552
  193   2HG   PRO  28          2HG       PRO  28  -5.713   8.472   4.630
  194   1HD   PRO  28          1HD       PRO  28  -7.963   7.035   3.579
  195   2HD   PRO  28          2HD       PRO  28  -6.639   7.727   2.662
  196    H    LYS  29           H        LYS  29  -7.068   3.344   3.416
  197    HA   LYS  29           HA       LYS  29  -7.152   1.605   5.559
  198   1HB   LYS  29          1HB       LYS  29  -8.384   3.750   6.483
  199   2HB   LYS  29          2HB       LYS  29  -9.736   3.131   5.557
  200   1HG   LYS  29          1HG       LYS  29  -8.191   1.298   7.422
  201   2HG   LYS  29          2HG       LYS  29  -9.437   2.356   8.055
  202   1HD   LYS  29          1HD       LYS  29 -10.877   1.322   6.040
  203   2HD   LYS  29          2HD       LYS  29  -9.713   0.018   6.163
  204   1HE   LYS  29          1HE       LYS  29 -11.013   1.037   8.697
  205   2HE   LYS  29          2HE       LYS  29 -11.949   0.007   7.632
  206   1HZ   LYS  29          1HZ       LYS  29  -9.304  -0.949   8.106
  207   2HZ   LYS  29          2HZ       LYS  29 -10.211  -0.863   9.462
  208   3HZ   LYS  29          3HZ       LYS  29 -10.729  -1.744   8.188
  209    H    GLU  30           H        GLU  30  -8.766   3.134   2.765
  210    HA   GLU  30           HA       GLU  30 -10.166   0.708   2.176
  211   1HB   GLU  30          1HB       GLU  30 -10.942   3.169   1.736
  212   2HB   GLU  30          2HB       GLU  30  -9.907   3.098   0.323
  213   1HG   GLU  30          1HG       GLU  30 -11.145   1.194  -0.582
  214   2HG   GLU  30          2HG       GLU  30 -12.059   1.013   0.903
  215    H    CYS  31           H        CYS  31  -7.126   2.296   1.372
  216    HA   CYS  31           HA       CYS  31  -6.733   0.740  -1.006
  217   1HB   CYS  31          1HB       CYS  31  -5.691   2.751  -1.251
  218   2HB   CYS  31          2HB       CYS  31  -5.257   2.876   0.442
  219    H    ASN  32           H        ASN  32  -6.185   0.546   2.468
  220    HA   ASN  32           HA       ASN  32  -4.231  -1.546   2.122
  221   1HB   ASN  32          1HB       ASN  32  -5.228  -1.048   4.868
  222   2HB   ASN  32          2HB       ASN  32  -3.579  -1.035   4.273
  223   2HD2  ASN  32          2HD2      ASN  32  -5.040   0.784   6.070
  224   1HD2  ASN  32          1HD2      ASN  32  -4.887   2.377   5.408
  225    H    ASN  33           H        ASN  33  -7.531  -1.274   1.913
  226    HA   ASN  33           HA       ASN  33  -8.053  -3.689   3.439
  227   1HB   ASN  33          1HB       ASN  33  -9.552  -1.726   3.857
  228   2HB   ASN  33          2HB       ASN  33  -9.969  -1.670   2.156
  229   2HD2  ASN  33          2HD2      ASN  33 -11.479  -2.189   4.717
  230   1HD2  ASN  33          1HD2      ASN  33 -12.388  -3.637   4.438
  231    H    ARG  34           H        ARG  34  -8.246  -2.105   0.209
  232    HA   ARG  34           HA       ARG  34  -9.636  -4.080  -1.099
  233   1HB   ARG  34          1HB       ARG  34  -8.656  -1.639  -1.799
  234   2HB   ARG  34          2HB       ARG  34  -7.442  -2.637  -2.576
  235   1HG   ARG  34          1HG       ARG  34  -9.466  -2.044  -4.025
  236   2HG   ARG  34          2HG       ARG  34  -9.070  -3.750  -3.950
  237   1HD   ARG  34          1HD       ARG  34 -10.964  -2.794  -1.841
  238   2HD   ARG  34          2HD       ARG  34 -11.583  -2.737  -3.479
  239    HE   ARG  34           HE       ARG  34 -10.258  -5.271  -2.810
  240   1HH1  ARG  34          1HH1      ARG  34 -13.295  -3.494  -2.786
  241   2HH1  ARG  34          2HH1      ARG  34 -14.277  -4.920  -2.738
  242   1HH2  ARG  34          1HH2      ARG  34 -11.552  -7.153  -2.747
  243   2HH2  ARG  34          2HH2      ARG  34 -13.279  -7.016  -2.716
  244    H    GLY  35           H        GLY  35  -6.244  -3.840  -0.084
  245   1HA   GLY  35          1HA       GLY  35  -5.668  -6.388  -1.476
  246   2HA   GLY  35          2HA       GLY  35  -5.211  -6.075   0.186
  247    H    CYS  36           H        CYS  36  -3.762  -4.111   0.594
  248    HA   CYS  36           HA       CYS  36  -1.435  -4.319  -0.759
  249   1HB   CYS  36          1HB       CYS  36  -3.270  -2.974  -2.429
  250   2HB   CYS  36          2HB       CYS  36  -2.179  -1.744  -1.822
  251    H    CYS  37           H        CYS  37  -0.618  -1.495  -0.722
  252    HA   CYS  37           HA       CYS  37  -1.182  -0.866   2.085
  253   1HB   CYS  37          1HB       CYS  37   1.419  -1.021   0.620
  254   2HB   CYS  37          2HB       CYS  37   1.233   0.196   1.867
  255    H    PHE  38           H        PHE  38  -1.245   1.453   2.565
  256    HA   PHE  38           HA       PHE  38  -1.640   3.060   0.140
  257   1HB   PHE  38          1HB       PHE  38  -3.695   2.678   1.491
  258   2HB   PHE  38          2HB       PHE  38  -2.847   3.092   2.967
  259    HD1  PHE  38           HD1      PHE  38  -4.280   4.450  -0.138
  260    HD2  PHE  38           HD2      PHE  38  -2.540   5.375   3.620
  261    HE1  PHE  38           HE1      PHE  38  -5.012   6.838  -0.387
  262    HE2  PHE  38           HE2      PHE  38  -3.272   7.763   3.371
  263    HZ   PHE  38           HZ       PHE  38  -4.499   8.466   1.371
  264    H    ASP  39           H        ASP  39  -1.471   5.563   0.786
  265    HA   ASP  39           HA       ASP  39   0.156   6.327   2.848
  266   1HB   ASP  39          1HB       ASP  39   1.973   5.063   1.826
  267   2HB   ASP  39          2HB       ASP  39   1.630   5.737   0.245
  268    H    SER  40           H        SER  40   0.260   8.654   2.830
  269    HA   SER  40           HA       SER  40  -0.570   9.889   0.326
  270   1HB   SER  40          1HB       SER  40  -2.052  11.407   1.532
  271   2HB   SER  40          2HB       SER  40  -2.497   9.755   1.911
  272    HG   SER  40           HG       SER  40  -0.628  10.531   3.722
  273    H    ARG  41           H        ARG  41   2.040   9.436   1.977
  274    HA   ARG  41           HA       ARG  41   2.783  11.833   3.101
  275   1HB   ARG  41          1HB       ARG  41   3.931   9.383   2.924
  276   2HB   ARG  41          2HB       ARG  41   4.850  10.174   1.659
  277   1HG   ARG  41          1HG       ARG  41   6.046  11.431   3.147
  278   2HG   ARG  41          2HG       ARG  41   4.623  11.848   4.080
  279   1HD   ARG  41          1HD       ARG  41   4.798   9.247   4.808
  280   2HD   ARG  41          2HD       ARG  41   6.484   9.499   4.400
  281    HE   ARG  41           HE       ARG  41   5.130  10.525   6.728
  282   1HH1  ARG  41          1HH1      ARG  41   7.585  11.403   4.365
  283   2HH1  ARG  41          2HH1      ARG  41   8.414  12.481   5.438
  284   1HH2  ARG  41          1HH2      ARG  41   6.224  11.947   8.144
  285   2HH2  ARG  41          2HH2      ARG  41   7.635  12.792   7.601
  286    H    ILE  42           H        ILE  42   3.352  10.502  -0.235
  287    HA   ILE  42           HA       ILE  42   3.488  13.239  -1.210
  288    HB   ILE  42           HB       ILE  42   5.488  12.073  -2.656
  289   1HG1  ILE  42          1HG1      ILE  42   7.073  11.119  -1.004
  290   2HG1  ILE  42          2HG1      ILE  42   5.812  11.145   0.213
  291   1HG2  ILE  42          1HG2      ILE  42   5.250  14.085  -0.518
  292   2HG2  ILE  42          2HG2      ILE  42   6.885  13.417  -0.738
  293   3HG2  ILE  42          3HG2      ILE  42   6.042  14.176  -2.110
  294   1HD1  ILE  42          1HD1      ILE  42   4.962   9.853  -2.314
  295   2HD1  ILE  42          2HD1      ILE  42   6.319   9.031  -1.506
  296   3HD1  ILE  42          3HD1      ILE  42   4.789   9.289  -0.635
  297    HA   PRO  43           HA       PRO  43   1.056  11.340  -4.245
  298   1HB   PRO  43          1HB       PRO  43   0.866  13.412  -6.017
  299   2HB   PRO  43          2HB       PRO  43  -0.139  13.278  -4.588
  300   1HG   PRO  43          1HG       PRO  43   2.167  15.063  -5.072
  301   2HG   PRO  43          2HG       PRO  43   0.910  15.199  -3.859
  302   1HD   PRO  43          1HD       PRO  43   3.600  14.291  -3.449
  303   2HD   PRO  43          2HD       PRO  43   2.311  14.317  -2.262
  304    H    GLY  44           H        GLY  44   3.995  12.964  -5.234
  305   1HA   GLY  44          1HA       GLY  44   5.656  12.129  -6.543
  306   2HA   GLY  44          2HA       GLY  44   4.391  12.191  -7.753
  307    H    VAL  45           H        VAL  45   4.836  10.029  -4.867
  308    HA   VAL  45           HA       VAL  45   5.321   7.791  -6.639
  309    HB   VAL  45           HB       VAL  45   6.140   6.705  -4.805
  310   1HG1  VAL  45          1HG1      VAL  45   7.028   9.240  -5.162
  311   2HG1  VAL  45          2HG1      VAL  45   6.550   9.314  -3.449
  312   3HG1  VAL  45          3HG1      VAL  45   7.733   8.099  -3.991
  313   1HG2  VAL  45          1HG2      VAL  45   4.087   8.244  -3.230
  314   2HG2  VAL  45          2HG2      VAL  45   4.343   6.486  -3.347
  315   3HG2  VAL  45          3HG2      VAL  45   5.472   7.489  -2.404
  316    HA   PRO  46           HA       PRO  46   1.347   6.112  -6.346
  317   1HB   PRO  46          1HB       PRO  46   1.719   3.432  -5.962
  318   2HB   PRO  46          2HB       PRO  46   1.910   4.213  -7.520
  319   1HG   PRO  46          1HG       PRO  46   3.997   3.231  -5.671
  320   2HG   PRO  46          2HG       PRO  46   4.132   3.614  -7.375
  321   1HD   PRO  46          1HD       PRO  46   5.042   5.218  -5.178
  322   2HD   PRO  46          2HD       PRO  46   5.072   5.652  -6.876
  323    H    TRP  47           H        TRP  47   0.377   7.187  -4.650
  324    HA   TRP  47           HA       TRP  47   0.766   6.928  -2.052
  325   1HB   TRP  47          1HB       TRP  47  -1.702   7.242  -3.680
  326   2HB   TRP  47          2HB       TRP  47  -1.908   6.899  -1.974
  327    HD1  TRP  47           HD1      TRP  47   1.041   9.113  -3.085
  328    HE1  TRP  47           HE1      TRP  47   0.743  11.598  -2.250
  329    HE3  TRP  47           HE3      TRP  47  -3.708   8.520  -1.367
  330    HZ2  TRP  47           HZ2      TRP  47  -1.398  13.006  -0.993
  331    HZ3  TRP  47           HZ3      TRP  47  -4.830  10.500  -0.350
  332    HH2  TRP  47           HH2      TRP  47  -3.752  12.685  -0.149
  333    H    CYS  48           H        CYS  48  -1.152   4.594  -4.068
  334    HA   CYS  48           HA       CYS  48  -1.111   2.750  -1.818
  335   1HB   CYS  48          1HB       CYS  48  -3.219   3.344  -3.168
  336   2HB   CYS  48          2HB       CYS  48  -2.547   2.335  -4.433
  337    H    PHE  49           H        PHE  49   0.892   1.721  -1.784
  338    HA   PHE  49           HA       PHE  49   1.772   0.576  -4.342
  339   1HB   PHE  49          1HB       PHE  49   4.071   0.705  -3.087
  340   2HB   PHE  49          2HB       PHE  49   3.393   2.228  -3.626
  341    HD1  PHE  49           HD1      PHE  49   3.486   0.002  -0.638
  342    HD2  PHE  49           HD2      PHE  49   3.154   3.968  -2.110
  343    HE1  PHE  49           HE1      PHE  49   3.596   0.883   1.710
  344    HE2  PHE  49           HE2      PHE  49   3.264   4.849   0.237
  345    HZ   PHE  49           HZ       PHE  49   3.484   3.296   2.120
  346    H    LYS  50           H        LYS  50   3.178  -1.445  -4.033
  347    HA   LYS  50           HA       LYS  50   1.705  -3.300  -2.501
  348   1HB   LYS  50          1HB       LYS  50   4.257  -3.449  -4.110
  349   2HB   LYS  50          2HB       LYS  50   3.647  -4.829  -3.219
  350   1HG   LYS  50          1HG       LYS  50   1.394  -3.775  -4.603
  351   2HG   LYS  50          2HG       LYS  50   2.712  -3.719  -5.756
  352   1HD   LYS  50          1HD       LYS  50   2.928  -6.238  -4.411
  353   2HD   LYS  50          2HD       LYS  50   1.231  -6.030  -4.796
  354   1HE   LYS  50          1HE       LYS  50   2.391  -5.192  -7.155
  355   2HE   LYS  50          2HE       LYS  50   3.561  -6.386  -6.628
  356   1HZ   LYS  50          1HZ       LYS  50   0.825  -7.198  -6.369
  357   2HZ   LYS  50          2HZ       LYS  50   1.319  -6.968  -7.908
  358   3HZ   LYS  50          3HZ       LYS  50   2.108  -8.026  -6.947
  359    HA   PRO  51           HA       PRO  51   3.878  -3.309   1.227
  360   1HB   PRO  51          1HB       PRO  51   3.910  -5.939   1.971
  361   2HB   PRO  51          2HB       PRO  51   2.505  -4.908   2.155
  362   1HG   PRO  51          1HG       PRO  51   2.997  -7.032   0.159
  363   2HG   PRO  51          2HG       PRO  51   1.477  -6.298   0.628
  364   1HD   PRO  51          1HD       PRO  51   2.971  -5.770  -1.762
  365   2HD   PRO  51          2HD       PRO  51   1.513  -4.953  -1.236
  366    H    LEU  52           H        LEU  52   5.910  -2.698   1.570
  367    HA   LEU  52           HA       LEU  52   7.999  -3.274   0.051
  368   1HB   LEU  52          1HB       LEU  52   8.132  -1.710   1.840
  369   2HB   LEU  52          2HB       LEU  52   7.895  -2.958   3.047
  370    HG   LEU  52           HG       LEU  52  10.322  -2.740   1.244
  371   1HD1  LEU  52          1HD1      LEU  52   9.735  -1.010   3.247
  372   2HD1  LEU  52          2HD1      LEU  52  10.603  -2.275   4.149
  373   3HD1  LEU  52          3HD1      LEU  52  11.386  -1.470   2.768
  374   1HD2  LEU  52          1HD2      LEU  52   9.375  -4.792   3.128
  375   2HD2  LEU  52          2HD2      LEU  52  10.554  -4.898   1.799
  376   3HD2  LEU  52          3HD2      LEU  52  11.058  -4.270   3.386
  377    H    GLN  53           H        GLN  53   9.390  -4.936  -0.433
  378    HA   GLN  53           HA       GLN  53   8.538  -7.510   0.151
  379   1HB   GLN  53          1HB       GLN  53  10.916  -8.084  -0.790
  380   2HB   GLN  53          2HB       GLN  53   9.748  -7.315  -1.846
  381   1HG   GLN  53          1HG       GLN  53  11.373  -5.394  -0.265
  382   2HG   GLN  53          2HG       GLN  53  12.320  -6.383  -1.358
  383   2HE2  GLN  53          2HE2      GLN  53  11.161  -3.495  -1.186
  384   1HE2  GLN  53          1HE2      GLN  53  10.601  -3.173  -2.793
  385    H    GLU  54           H        GLU  54   8.348  -7.447   2.536
  386    HA   GLU  54           HA       GLU  54  10.392  -6.903   4.238
  387   1HB   GLU  54          1HB       GLU  54   9.130  -8.067   5.902
  388   2HB   GLU  54          2HB       GLU  54   7.949  -7.430   4.775
  389   1HG   GLU  54          1HG       GLU  54   8.302  -9.803   3.574
  390   2HG   GLU  54          2HG       GLU  54   8.855 -10.285   5.165
  391    H    ALA  55           H        ALA  55  12.447  -7.700   4.259
  392    HA   ALA  55           HA       ALA  55  12.803 -10.560   4.316
  393   1HB   ALA  55          1HB       ALA  55  14.348 -10.622   2.428
  394   2HB   ALA  55          2HB       ALA  55  12.772 -10.005   1.879
  395   3HB   ALA  55          3HB       ALA  55  14.124  -8.879   2.147
  396    H    GLU  56           H        GLU  56  14.766  -7.566   3.654
  397    HA   GLU  56           HA       GLU  56  16.882  -8.344   5.206
  398   1HB   GLU  56          1HB       GLU  56  16.356  -6.238   3.556
  399   2HB   GLU  56          2HB       GLU  56  16.262  -5.419   5.102
  400   1HG   GLU  56          1HG       GLU  56  18.575  -7.247   4.950
  401   2HG   GLU  56          2HG       GLU  56  18.613  -6.027   3.692
  402    H    CYS  57           H        CYS  57  17.662  -7.155   7.279
  403    HA   CYS  57           HA       CYS  57  16.171  -7.837   9.391
  404   1HB   CYS  57          1HB       CYS  57  18.314  -5.832   8.957
  405   2HB   CYS  57          2HB       CYS  57  17.403  -5.685  10.447
  406    H    THR  58           H        THR  58  14.914  -6.462  10.996
  407    HA   THR  58           HA       THR  58  12.670  -5.378   9.985
  408    HB   THR  58           HB       THR  58  13.273  -5.916  12.411
  409    HG1  THR  58           HG1      THR  58  11.660  -4.406  12.980
  410   1HG2  THR  58          1HG2      THR  58  14.513  -3.128  12.165
  411   2HG2  THR  58          2HG2      THR  58  14.024  -3.846  13.719
  412   3HG2  THR  58          3HG2      THR  58  15.310  -4.607  12.753
  413    H    PHE  59           H        PHE  59  11.815  -3.163   9.830
  414    HA   PHE  59           HA       PHE  59  11.840  -1.170   8.889
  415   1HB   PHE  59          1HB       PHE  59  14.385  -1.338  10.519
  416   2HB   PHE  59          2HB       PHE  59  14.281   0.013   9.407
  417    HD1  PHE  59           HD1      PHE  59  12.509   1.717   9.692
  418    HD2  PHE  59           HD2      PHE  59  13.052  -1.410  12.509
  419    HE1  PHE  59           HE1      PHE  59  11.145   2.991  11.369
  420    HE2  PHE  59           HE2      PHE  59  11.688  -0.135  14.187
  421    HZ   PHE  59           HZ       PHE  59  10.751   2.050  13.597

  No H/Q in entry =         421
  Start of MODEL   84
    1    H    GLU   1           H        GLU   1   2.460  -8.313  19.439
    2    HA   GLU   1           HA       GLU   1   5.248  -8.193  20.176
    3   1HB   GLU   1          1HB       GLU   1   2.982  -8.531  22.085
    4   2HB   GLU   1          2HB       GLU   1   4.294  -9.677  22.280
    5   1HG   GLU   1          1HG       GLU   1   5.251  -6.909  21.862
    6   2HG   GLU   1          2HG       GLU   1   4.239  -7.066  23.284
    7    H    GLU   2           H        GLU   2   3.984  -9.350  17.892
    8    HA   GLU   2           HA       GLU   2   5.073 -11.847  17.916
    9   1HB   GLU   2          1HB       GLU   2   2.971 -13.282  17.838
   10   2HB   GLU   2          2HB       GLU   2   3.398 -12.668  19.423
   11   1HG   GLU   2          1HG       GLU   2   1.808 -10.631  18.701
   12   2HG   GLU   2          2HG       GLU   2   1.138 -11.824  17.606
   13    H    TYR   3           H        TYR   3   2.440  -9.719  16.734
   14    HA   TYR   3           HA       TYR   3   3.240 -10.442  14.005
   15   1HB   TYR   3          1HB       TYR   3   1.110 -11.594  14.547
   16   2HB   TYR   3          2HB       TYR   3   0.480 -10.159  15.332
   17    HD1  TYR   3           HD1      TYR   3   1.789 -11.186  11.962
   18    HD2  TYR   3           HD2      TYR   3  -1.078  -8.899  14.166
   19    HE1  TYR   3           HE1      TYR   3   0.671 -10.480   9.790
   20    HE2  TYR   3           HE2      TYR   3  -2.186  -8.201  11.987
   21    HH   TYR   3           HH       TYR   3  -1.210  -7.974   9.465
   22    H    VAL   4           H        VAL   4   2.696  -8.750  12.389
   23    HA   VAL   4           HA       VAL   4   1.817  -6.209  13.293
   24    HB   VAL   4           HB       VAL   4   4.190  -6.430  14.199
   25   1HG1  VAL   4          1HG1      VAL   4   5.145  -7.516  12.178
   26   2HG1  VAL   4          2HG1      VAL   4   4.909  -5.997  11.281
   27   3HG1  VAL   4          3HG1      VAL   4   6.030  -6.049  12.663
   28   1HG2  VAL   4          1HG2      VAL   4   2.755  -4.280  13.502
   29   2HG2  VAL   4          2HG2      VAL   4   4.420  -4.159  14.120
   30   3HG2  VAL   4          3HG2      VAL   4   4.113  -4.074  12.369
   31    H    GLY   5           H        GLY   5   2.311  -4.534  11.383
   32   1HA   GLY   5          1HA       GLY   5   1.409  -5.889   8.974
   33   2HA   GLY   5          2HA       GLY   5   2.965  -5.091   8.858
   34    H    LEU   6           H        LEU   6  -0.409  -4.689   8.581
   35    HA   LEU   6           HA       LEU   6  -0.401  -2.202   7.589
   36   1HB   LEU   6          1HB       LEU   6  -2.789  -2.066   8.413
   37   2HB   LEU   6          2HB       LEU   6  -2.356  -3.425   7.395
   38    HG   LEU   6           HG       LEU   6  -2.164  -3.883  10.325
   39   1HD1  LEU   6          1HD1      LEU   6  -4.807  -3.437   8.921
   40   2HD1  LEU   6          2HD1      LEU   6  -4.634  -4.332  10.450
   41   3HD1  LEU   6          3HD1      LEU   6  -4.178  -2.613  10.368
   42   1HD2  LEU   6          1HD2      LEU   6  -2.645  -5.412   7.848
   43   2HD2  LEU   6          2HD2      LEU   6  -1.812  -5.876   9.351
   44   3HD2  LEU   6          3HD2      LEU   6  -3.588  -5.940   9.262
   45    H    SER   7           H        SER   7   0.635  -0.434   8.363
   46    HA   SER   7           HA       SER   7  -0.283   1.071  10.344
   47   1HB   SER   7          1HB       SER   7   1.609   0.579  12.150
   48   2HB   SER   7          2HB       SER   7   0.084  -0.284  12.187
   49    HG   SER   7           HG       SER   7   2.575  -1.307  11.922
   50    H    ALA   8           H        ALA   8   2.620  -0.331   8.802
   51    HA   ALA   8           HA       ALA   8   3.486   1.841   7.511
   52   1HB   ALA   8          1HB       ALA   8   4.253   1.980  10.419
   53   2HB   ALA   8          2HB       ALA   8   5.400   2.567   9.191
   54   3HB   ALA   8          3HB       ALA   8   3.776   3.286   9.308
   55    H    ASN   9           H        ASN   9   4.226  -0.985   9.510
   56    HA   ASN   9           HA       ASN   9   6.788  -1.479   8.790
   57   1HB   ASN   9          1HB       ASN   9   5.784  -2.954  10.385
   58   2HB   ASN   9          2HB       ASN   9   4.409  -3.289   9.351
   59   2HD2  ASN   9          2HD2      ASN   9   7.856  -3.800   9.823
   60   1HD2  ASN   9          1HD2      ASN   9   8.008  -5.265   8.910
   61    H    GLN  10           H        GLN  10   4.179  -3.562   7.403
   62    HA   GLN  10           HA       GLN  10   5.482  -4.298   5.180
   63   1HB   GLN  10          1HB       GLN  10   3.117  -4.601   4.177
   64   2HB   GLN  10          2HB       GLN  10   3.463  -5.424   5.685
   65   1HG   GLN  10          1HG       GLN  10   2.319  -3.686   6.978
   66   2HG   GLN  10          2HG       GLN  10   2.139  -2.677   5.556
   67   2HE2  GLN  10          2HE2      GLN  10   1.308  -4.286   3.613
   68   1HE2  GLN  10          1HE2      GLN  10  -0.215  -5.029   3.970
   69    H    CYS  11           H        CYS  11   4.077  -1.161   5.882
   70    HA   CYS  11           HA       CYS  11   4.478  -0.397   3.083
   71   1HB   CYS  11          1HB       CYS  11   2.936   1.304   4.999
   72   2HB   CYS  11          2HB       CYS  11   2.820   1.196   3.254
   73    H    ALA  12           H        ALA  12   6.749  -0.745   4.682
   74    HA   ALA  12           HA       ALA  12   7.393   1.942   5.654
   75   1HB   ALA  12          1HB       ALA  12   9.086   0.902   6.961
   76   2HB   ALA  12          2HB       ALA  12   9.017  -0.597   6.003
   77   3HB   ALA  12          3HB       ALA  12   7.673  -0.173   7.089
   78    H    VAL  13           H        VAL  13   7.109   1.744   2.880
   79    HA   VAL  13           HA       VAL  13   9.775   1.290   1.822
   80    HB   VAL  13           HB       VAL  13   7.665   2.360   0.075
   81   1HG1  VAL  13          1HG1      VAL  13   9.867   0.380   0.017
   82   2HG1  VAL  13          2HG1      VAL  13   8.449  -0.021  -0.981
   83   3HG1  VAL  13          3HG1      VAL  13   9.308   1.518  -1.232
   84   1HG2  VAL  13          1HG2      VAL  13   7.234  -0.146   1.692
   85   2HG2  VAL  13          2HG2      VAL  13   6.086   1.155   1.295
   86   3HG2  VAL  13          3HG2      VAL  13   6.584  -0.006   0.041
   87    HA   PRO  14           HA       PRO  14  10.775   5.496   1.990
   88   1HB   PRO  14          1HB       PRO  14  12.875   5.563   0.242
   89   2HB   PRO  14          2HB       PRO  14  13.028   5.030   1.904
   90   1HG   PRO  14          1HG       PRO  14  12.983   3.407  -0.566
   91   2HG   PRO  14          2HG       PRO  14  13.551   2.960   1.031
   92   1HD   PRO  14          1HD       PRO  14  11.074   2.184  -0.189
   93   2HD   PRO  14          2HD       PRO  14  11.591   1.834   1.448
   94    H    ALA  15           H        ALA  15   9.066   4.172  -0.365
   95    HA   ALA  15           HA       ALA  15   7.660   5.208  -1.778
   96   1HB   ALA  15          1HB       ALA  15   8.632   7.394  -0.378
   97   2HB   ALA  15          2HB       ALA  15   7.371   7.447  -1.634
   98   3HB   ALA  15          3HB       ALA  15   9.067   7.781  -2.060
   99    H    LYS  16           H        LYS  16  11.114   5.007  -1.966
  100    HA   LYS  16           HA       LYS  16  11.084   5.377  -4.857
  101   1HB   LYS  16          1HB       LYS  16  13.533   5.280  -4.660
  102   2HB   LYS  16          2HB       LYS  16  12.837   6.532  -3.652
  103   1HG   LYS  16          1HG       LYS  16  14.522   5.347  -2.346
  104   2HG   LYS  16          2HG       LYS  16  12.946   4.975  -1.676
  105   1HD   LYS  16          1HD       LYS  16  12.963   2.769  -2.476
  106   2HD   LYS  16          2HD       LYS  16  14.023   3.146  -3.819
  107   1HE   LYS  16          1HE       LYS  16  15.924   2.784  -2.586
  108   2HE   LYS  16          2HE       LYS  16  15.291   3.620  -1.182
  109   1HZ   LYS  16          1HZ       LYS  16  13.893   1.628  -0.809
  110   2HZ   LYS  16          2HZ       LYS  16  14.714   0.860  -1.993
  111   3HZ   LYS  16          3HZ       LYS  16  15.495   1.357  -0.647
  112    H    ASP  17           H        ASP  17  10.040   3.029  -2.922
  113    HA   ASP  17           HA       ASP  17  11.135   0.987  -4.682
  114   1HB   ASP  17          1HB       ASP  17  11.436   1.188  -1.819
  115   2HB   ASP  17          2HB       ASP  17  10.374  -0.168  -2.142
  116    H    ARG  18           H        ARG  18   8.570   2.746  -4.372
  117    HA   ARG  18           HA       ARG  18   6.571   0.951  -3.526
  118   1HB   ARG  18          1HB       ARG  18   6.199   3.421  -5.285
  119   2HB   ARG  18          2HB       ARG  18   5.007   2.691  -4.228
  120   1HG   ARG  18          1HG       ARG  18   7.624   3.950  -3.277
  121   2HG   ARG  18          2HG       ARG  18   6.067   4.754  -3.248
  122   1HD   ARG  18          1HD       ARG  18   5.270   2.643  -1.870
  123   2HD   ARG  18          2HD       ARG  18   6.981   2.364  -1.613
  124    HE   ARG  18           HE       ARG  18   6.922   4.072  -0.035
  125   1HH1  ARG  18          1HH1      ARG  18   4.436   4.710  -2.443
  126   2HH1  ARG  18          2HH1      ARG  18   3.869   6.149  -1.663
  127   1HH2  ARG  18          1HH2      ARG  18   6.175   5.970   0.994
  128   2HH2  ARG  18          2HH2      ARG  18   4.865   6.871   0.306
  129    H    VAL  19           H        VAL  19   5.813  -0.778  -4.705
  130    HA   VAL  19           HA       VAL  19   6.512  -1.006  -7.473
  131    HB   VAL  19           HB       VAL  19   4.742  -2.777  -5.781
  132   1HG1  VAL  19          1HG1      VAL  19   5.974  -2.977  -8.479
  133   2HG1  VAL  19          2HG1      VAL  19   6.051  -4.437  -7.464
  134   3HG1  VAL  19          3HG1      VAL  19   4.476  -3.697  -7.840
  135   1HG2  VAL  19          1HG2      VAL  19   7.745  -2.555  -5.932
  136   2HG2  VAL  19          2HG2      VAL  19   6.693  -2.704  -4.504
  137   3HG2  VAL  19          3HG2      VAL  19   6.963  -4.110  -5.562
  138    H    ASP  20           H        ASP  20   4.046   0.573  -5.734
  139    HA   ASP  20           HA       ASP  20   2.175   1.509  -6.300
  140   1HB   ASP  20          1HB       ASP  20   3.204   2.531  -8.192
  141   2HB   ASP  20          2HB       ASP  20   3.341   1.012  -9.055
  142    H    CYS  21           H        CYS  21   0.284   0.385  -5.813
  143    HA   CYS  21           HA       CYS  21  -0.108  -2.241  -6.854
  144   1HB   CYS  21          1HB       CYS  21  -0.923  -0.855  -4.588
  145   2HB   CYS  21          2HB       CYS  21  -2.401  -1.035  -5.512
  146    H    GLY  22           H        GLY  22  -0.586   0.921  -8.012
  147   1HA   GLY  22          1HA       GLY  22  -1.834   0.210 -10.365
  148   2HA   GLY  22          2HA       GLY  22  -1.794   1.822  -9.679
  149    H    TYR  23           H        TYR  23  -3.490   2.420  -8.048
  150    HA   TYR  23           HA       TYR  23  -6.016   1.214  -8.839
  151   1HB   TYR  23          1HB       TYR  23  -4.701   0.379  -6.552
  152   2HB   TYR  23          2HB       TYR  23  -5.496   1.803  -5.909
  153    HD1  TYR  23           HD1      TYR  23  -6.709  -0.721  -8.404
  154    HD2  TYR  23           HD2      TYR  23  -7.218   1.035  -4.536
  155    HE1  TYR  23           HE1      TYR  23  -8.845  -2.059  -8.070
  156    HE2  TYR  23           HE2      TYR  23  -9.352  -0.309  -4.215
  157    HH   TYR  23           HH       TYR  23 -11.045  -1.356  -5.610
  158    HA   PRO  24           HA       PRO  24  -7.184   5.376  -8.582
  159   1HB   PRO  24          1HB       PRO  24  -9.904   5.129  -8.693
  160   2HB   PRO  24          2HB       PRO  24  -8.877   5.064 -10.112
  161   1HG   PRO  24          1HG       PRO  24 -10.246   2.849  -8.712
  162   2HG   PRO  24          2HG       PRO  24  -9.583   2.880 -10.334
  163   1HD   PRO  24          1HD       PRO  24  -8.418   1.637  -8.027
  164   2HD   PRO  24          2HD       PRO  24  -7.701   1.768  -9.621
  165    H    HIS  25           H        HIS  25  -9.889   3.958  -6.859
  166    HA   HIS  25           HA       HIS  25  -9.732   5.926  -4.874
  167   1HB   HIS  25          1HB       HIS  25 -11.721   5.113  -4.248
  168   2HB   HIS  25          2HB       HIS  25 -11.620   4.167  -5.719
  169    HD1  HIS  25           HD1      HIS  25 -12.225   3.780  -2.201
  170    HD2  HIS  25           HD2      HIS  25 -10.285   1.488  -5.130
  171    HE1  HIS  25           HE1      HIS  25 -12.091   1.405  -1.278
  172    HE2  HIS  25           HE2      HIS  25 -10.939   0.032  -3.144
  173    H    VAL  26           H        VAL  26  -7.761   6.068  -3.809
  174    HA   VAL  26           HA       VAL  26  -7.043   3.677  -2.261
  175    HB   VAL  26           HB       VAL  26  -4.676   4.442  -2.500
  176   1HG1  VAL  26          1HG1      VAL  26  -6.313   3.453  -4.825
  177   2HG1  VAL  26          2HG1      VAL  26  -4.562   3.719  -5.008
  178   3HG1  VAL  26          3HG1      VAL  26  -5.164   2.572  -3.788
  179   1HG2  VAL  26          1HG2      VAL  26  -5.288   6.794  -3.194
  180   2HG2  VAL  26          2HG2      VAL  26  -4.036   6.009  -4.187
  181   3HG2  VAL  26          3HG2      VAL  26  -5.704   6.136  -4.795
  182    H    THR  27           H        THR  27  -7.059   4.013  -0.096
  183    HA   THR  27           HA       THR  27  -6.528   6.717   0.878
  184    HB   THR  27           HB       THR  27  -8.625   6.964   1.878
  185    HG1  THR  27           HG1      THR  27  -9.190   5.203   3.090
  186   1HG2  THR  27          1HG2      THR  27  -9.259   4.896  -0.295
  187   2HG2  THR  27          2HG2      THR  27 -10.452   5.953   0.497
  188   3HG2  THR  27          3HG2      THR  27  -9.188   6.658  -0.538
  189    HA   PRO  28           HA       PRO  28  -4.566   4.694   4.121
  190   1HB   PRO  28          1HB       PRO  28  -5.229   6.076   6.383
  191   2HB   PRO  28          2HB       PRO  28  -4.045   6.646   5.224
  192   1HG   PRO  28          1HG       PRO  28  -6.814   7.585   5.658
  193   2HG   PRO  28          2HG       PRO  28  -5.498   8.393   4.829
  194   1HD   PRO  28          1HD       PRO  28  -7.726   7.054   3.615
  195   2HD   PRO  28          2HD       PRO  28  -6.351   7.761   2.790
  196    H    LYS  29           H        LYS  29  -6.917   3.376   3.314
  197    HA   LYS  29           HA       LYS  29  -7.126   1.561   5.409
  198   1HB   LYS  29          1HB       LYS  29  -8.412   3.666   6.304
  199   2HB   LYS  29          2HB       LYS  29  -9.685   3.129   5.226
  200   1HG   LYS  29          1HG       LYS  29  -8.633   0.845   6.699
  201   2HG   LYS  29          2HG       LYS  29  -9.061   2.118   7.824
  202   1HD   LYS  29          1HD       LYS  29 -11.336   2.239   6.945
  203   2HD   LYS  29          2HD       LYS  29 -10.936   1.177   5.610
  204   1HE   LYS  29          1HE       LYS  29 -11.623  -0.559   6.906
  205   2HE   LYS  29          2HE       LYS  29 -10.183  -0.313   7.875
  206   1HZ   LYS  29          1HZ       LYS  29 -11.534   1.394   9.090
  207   2HZ   LYS  29          2HZ       LYS  29 -12.853   0.795   8.337
  208   3HZ   LYS  29          3HZ       LYS  29 -11.972  -0.161   9.325
  209    H    GLU  30           H        GLU  30  -8.898   3.177   2.702
  210    HA   GLU  30           HA       GLU  30 -10.142   0.785   1.912
  211   1HB   GLU  30          1HB       GLU  30 -10.080   3.585   1.077
  212   2HB   GLU  30          2HB       GLU  30 -10.049   2.527  -0.320
  213   1HG   GLU  30          1HG       GLU  30 -12.371   2.875   0.161
  214   2HG   GLU  30          2HG       GLU  30 -12.018   1.254   0.726
  215    H    CYS  31           H        CYS  31  -7.130   2.512   0.998
  216    HA   CYS  31           HA       CYS  31  -6.590   0.842  -1.219
  217   1HB   CYS  31          1HB       CYS  31  -5.542   2.875  -1.386
  218   2HB   CYS  31          2HB       CYS  31  -5.112   2.933   0.312
  219    H    ASN  32           H        ASN  32  -6.136   0.710   2.288
  220    HA   ASN  32           HA       ASN  32  -4.257  -1.464   2.017
  221   1HB   ASN  32          1HB       ASN  32  -3.570  -0.867   4.127
  222   2HB   ASN  32          2HB       ASN  32  -4.533   0.578   3.893
  223   2HD2  ASN  32          2HD2      ASN  32  -3.964  -2.009   5.854
  224   1HD2  ASN  32          1HD2      ASN  32  -5.439  -2.073   6.761
  225    H    ASN  33           H        ASN  33  -7.508  -1.125   1.689
  226    HA   ASN  33           HA       ASN  33  -8.202  -3.367   3.390
  227   1HB   ASN  33          1HB       ASN  33  -9.718  -1.434   3.530
  228   2HB   ASN  33          2HB       ASN  33  -9.889  -1.379   1.787
  229   2HD2  ASN  33          2HD2      ASN  33 -11.034  -3.006   0.698
  230   1HD2  ASN  33          1HD2      ASN  33 -12.212  -3.998   1.490
  231    H    ARG  34           H        ARG  34  -8.122  -2.156  -0.006
  232    HA   ARG  34           HA       ARG  34  -9.435  -4.274  -1.173
  233   1HB   ARG  34          1HB       ARG  34  -8.542  -1.942  -2.119
  234   2HB   ARG  34          2HB       ARG  34  -7.132  -2.880  -2.572
  235   1HG   ARG  34          1HG       ARG  34  -9.948  -3.776  -3.311
  236   2HG   ARG  34          2HG       ARG  34  -9.043  -2.667  -4.322
  237   1HD   ARG  34          1HD       ARG  34  -7.225  -4.772  -3.745
  238   2HD   ARG  34          2HD       ARG  34  -8.754  -5.571  -4.052
  239    HE   ARG  34           HE       ARG  34  -8.280  -3.527  -6.040
  240   1HH1  ARG  34          1HH1      ARG  34  -7.285  -6.770  -5.105
  241   2HH1  ARG  34          2HH1      ARG  34  -6.838  -7.235  -6.712
  242   1HH2  ARG  34          1HH2      ARG  34  -7.690  -4.140  -8.161
  243   2HH2  ARG  34          2HH2      ARG  34  -7.070  -5.728  -8.463
  244    H    GLY  35           H        GLY  35  -6.226  -3.997   0.212
  245   1HA   GLY  35          1HA       GLY  35  -5.552  -6.674  -0.851
  246   2HA   GLY  35          2HA       GLY  35  -5.139  -6.089   0.748
  247    H    CYS  36           H        CYS  36  -3.730  -4.030   0.832
  248    HA   CYS  36           HA       CYS  36  -1.385  -4.504  -0.539
  249   1HB   CYS  36          1HB       CYS  36  -3.168  -3.317  -2.274
  250   2HB   CYS  36          2HB       CYS  36  -2.268  -1.943  -1.662
  251    H    CYS  37           H        CYS  37  -0.640  -1.588  -0.700
  252    HA   CYS  37           HA       CYS  37  -0.985  -0.891   2.124
  253   1HB   CYS  37          1HB       CYS  37   1.507  -1.223   0.546
  254   2HB   CYS  37          2HB       CYS  37   1.435   0.175   1.601
  255    H    PHE  38           H        PHE  38  -1.015   1.445   2.524
  256    HA   PHE  38           HA       PHE  38  -1.497   2.980   0.067
  257   1HB   PHE  38          1HB       PHE  38  -3.545   2.611   1.420
  258   2HB   PHE  38          2HB       PHE  38  -2.698   3.036   2.894
  259    HD1  PHE  38           HD1      PHE  38  -4.020   4.403  -0.276
  260    HD2  PHE  38           HD2      PHE  38  -2.525   5.292   3.595
  261    HE1  PHE  38           HE1      PHE  38  -4.765   6.786  -0.535
  262    HE2  PHE  38           HE2      PHE  38  -3.270   7.675   3.336
  263    HZ   PHE  38           HZ       PHE  38  -4.381   8.394   1.274
  264    H    ASP  39           H        ASP  39  -1.350   5.495   0.645
  265    HA   ASP  39           HA       ASP  39   0.286   6.313   2.689
  266   1HB   ASP  39          1HB       ASP  39   2.128   5.106   1.685
  267   2HB   ASP  39          2HB       ASP  39   1.715   5.672   0.079
  268    H    SER  40           H        SER  40   0.466   8.657   2.601
  269    HA   SER  40           HA       SER  40  -0.354   9.875   0.104
  270   1HB   SER  40          1HB       SER  40  -1.979  11.336   1.257
  271   2HB   SER  40          2HB       SER  40  -2.423   9.649   1.427
  272    HG   SER  40           HG       SER  40  -2.557  10.925   3.438
  273    H    ARG  41           H        ARG  41   2.130   9.526   1.940
  274    HA   ARG  41           HA       ARG  41   2.596  12.026   3.089
  275   1HB   ARG  41          1HB       ARG  41   3.808   9.579   3.245
  276   2HB   ARG  41          2HB       ARG  41   4.928  10.374   2.157
  277   1HG   ARG  41          1HG       ARG  41   4.422  12.301   4.164
  278   2HG   ARG  41          2HG       ARG  41   4.529  10.786   5.038
  279   1HD   ARG  41          1HD       ARG  41   6.787  10.746   4.791
  280   2HD   ARG  41          2HD       ARG  41   6.638  10.844   3.047
  281    HE   ARG  41           HE       ARG  41   6.950  13.189   3.148
  282   1HH1  ARG  41          1HH1      ARG  41   6.581  11.853   6.382
  283   2HH1  ARG  41          2HH1      ARG  41   7.099  13.302   7.178
  284   1HH2  ARG  41          1HH2      ARG  41   7.633  15.100   4.197
  285   2HH2  ARG  41          2HH2      ARG  41   7.701  15.161   5.927
  286    H    ILE  42           H        ILE  42   3.053  10.633  -0.153
  287    HA   ILE  42           HA       ILE  42   3.633  13.250  -1.185
  288    HB   ILE  42           HB       ILE  42   5.636  11.874  -2.439
  289   1HG1  ILE  42          1HG1      ILE  42   7.036  10.943  -0.581
  290   2HG1  ILE  42          2HG1      ILE  42   5.643  11.048   0.478
  291   1HG2  ILE  42          1HG2      ILE  42   5.520  13.898  -0.236
  292   2HG2  ILE  42          2HG2      ILE  42   7.097  13.228  -0.720
  293   3HG2  ILE  42          3HG2      ILE  42   6.080  14.064  -1.918
  294   1HD1  ILE  42          1HD1      ILE  42   4.351   9.569  -1.068
  295   2HD1  ILE  42          2HD1      ILE  42   5.782   9.448  -2.120
  296   3HD1  ILE  42          3HD1      ILE  42   5.830   8.778  -0.472
  297    HA   PRO  43           HA       PRO  43   1.211  11.322  -4.227
  298   1HB   PRO  43          1HB       PRO  43   0.978  13.437  -5.941
  299   2HB   PRO  43          2HB       PRO  43  -0.044  13.228  -4.533
  300   1HG   PRO  43          1HG       PRO  43   2.207  15.102  -4.927
  301   2HG   PRO  43          2HG       PRO  43   0.928  15.160  -3.731
  302   1HD   PRO  43          1HD       PRO  43   3.640  14.331  -3.303
  303   2HD   PRO  43          2HD       PRO  43   2.332  14.279  -2.138
  304    H    GLY  44           H        GLY  44   4.134  13.034  -5.080
  305   1HA   GLY  44          1HA       GLY  44   5.829  12.325  -6.408
  306   2HA   GLY  44          2HA       GLY  44   4.577  12.344  -7.634
  307    H    VAL  45           H        VAL  45   4.669  10.135  -4.795
  308    HA   VAL  45           HA       VAL  45   5.441   7.950  -6.571
  309    HB   VAL  45           HB       VAL  45   6.207   6.847  -4.719
  310   1HG1  VAL  45          1HG1      VAL  45   6.419   9.783  -3.970
  311   2HG1  VAL  45          2HG1      VAL  45   7.385   8.474  -3.247
  312   3HG1  VAL  45          3HG1      VAL  45   7.548   8.848  -4.980
  313   1HG2  VAL  45          1HG2      VAL  45   4.294   8.481  -3.018
  314   2HG2  VAL  45          2HG2      VAL  45   4.139   6.763  -3.457
  315   3HG2  VAL  45          3HG2      VAL  45   5.459   7.293  -2.386
  316    HA   PRO  46           HA       PRO  46   1.499   6.178  -6.469
  317   1HB   PRO  46          1HB       PRO  46   1.930   3.496  -6.169
  318   2HB   PRO  46          2HB       PRO  46   2.146   4.337  -7.691
  319   1HG   PRO  46          1HG       PRO  46   4.203   3.343  -5.815
  320   2HG   PRO  46          2HG       PRO  46   4.379   3.791  -7.500
  321   1HD   PRO  46          1HD       PRO  46   5.180   5.338  -5.221
  322   2HD   PRO  46          2HD       PRO  46   5.249   5.833  -6.900
  323    H    TRP  47           H        TRP  47   0.634   7.284  -4.676
  324    HA   TRP  47           HA       TRP  47   0.901   6.898  -2.118
  325   1HB   TRP  47          1HB       TRP  47  -1.565   7.183  -3.770
  326   2HB   TRP  47          2HB       TRP  47  -1.755   6.847  -2.061
  327    HD1  TRP  47           HD1      TRP  47   1.157   9.101  -3.173
  328    HE1  TRP  47           HE1      TRP  47   0.813  11.588  -2.360
  329    HE3  TRP  47           HE3      TRP  47  -3.597   8.448  -1.491
  330    HZ2  TRP  47           HZ2      TRP  47  -1.360  12.971  -1.132
  331    HZ3  TRP  47           HZ3      TRP  47  -4.759  10.418  -0.499
  332    HH2  TRP  47           HH2      TRP  47  -3.717  12.620  -0.305
  333    H    CYS  48           H        CYS  48  -1.176   4.670  -4.118
  334    HA   CYS  48           HA       CYS  48  -1.074   2.738  -1.971
  335   1HB   CYS  48          1HB       CYS  48  -3.136   3.366  -3.407
  336   2HB   CYS  48          2HB       CYS  48  -2.422   2.333  -4.629
  337    H    PHE  49           H        PHE  49   0.555   1.230  -1.903
  338    HA   PHE  49           HA       PHE  49   1.594   0.255  -4.446
  339   1HB   PHE  49          1HB       PHE  49   3.918   0.445  -3.269
  340   2HB   PHE  49          2HB       PHE  49   3.211   1.954  -3.811
  341    HD1  PHE  49           HD1      PHE  49   3.428  -0.221  -0.793
  342    HD2  PHE  49           HD2      PHE  49   2.998   3.717  -2.316
  343    HE1  PHE  49           HE1      PHE  49   3.607   0.699   1.536
  344    HE2  PHE  49           HE2      PHE  49   3.177   4.637   0.013
  345    HZ   PHE  49           HZ       PHE  49   3.480   3.117   1.911
  346    H    LYS  50           H        LYS  50   3.103  -1.715  -4.022
  347    HA   LYS  50           HA       LYS  50   1.637  -3.524  -2.401
  348   1HB   LYS  50          1HB       LYS  50   4.214  -3.798  -3.972
  349   2HB   LYS  50          2HB       LYS  50   3.435  -5.126  -3.138
  350   1HG   LYS  50          1HG       LYS  50   1.292  -4.126  -4.530
  351   2HG   LYS  50          2HG       LYS  50   2.591  -3.686  -5.621
  352   1HD   LYS  50          1HD       LYS  50   3.194  -6.339  -4.837
  353   2HD   LYS  50          2HD       LYS  50   1.456  -6.334  -5.063
  354   1HE   LYS  50          1HE       LYS  50   2.497  -4.843  -7.252
  355   2HE   LYS  50          2HE       LYS  50   3.574  -6.215  -7.077
  356   1HZ   LYS  50          1HZ       LYS  50   0.645  -6.409  -7.228
  357   2HZ   LYS  50          2HZ       LYS  50   1.666  -6.694  -8.470
  358   3HZ   LYS  50          3HZ       LYS  50   1.686  -7.665  -7.157
  359    HA   PRO  51           HA       PRO  51   3.918  -3.364   1.259
  360   1HB   PRO  51          1HB       PRO  51   3.981  -5.958   2.116
  361   2HB   PRO  51          2HB       PRO  51   2.578  -4.923   2.295
  362   1HG   PRO  51          1HG       PRO  51   3.019  -7.132   0.381
  363   2HG   PRO  51          2HG       PRO  51   1.510  -6.381   0.862
  364   1HD   PRO  51          1HD       PRO  51   2.933  -5.955  -1.592
  365   2HD   PRO  51          2HD       PRO  51   1.488  -5.119  -1.060
  366    H    LEU  52           H        LEU  52   5.960  -2.850   1.711
  367    HA   LEU  52           HA       LEU  52   8.034  -3.314   0.154
  368   1HB   LEU  52          1HB       LEU  52   8.409  -1.939   1.960
  369   2HB   LEU  52          2HB       LEU  52   7.803  -3.100   3.124
  370    HG   LEU  52           HG       LEU  52  10.275  -3.876   1.663
  371   1HD1  LEU  52          1HD1      LEU  52  10.103  -1.477   3.452
  372   2HD1  LEU  52          2HD1      LEU  52  11.548  -2.516   3.508
  373   3HD1  LEU  52          3HD1      LEU  52  11.067  -1.741   1.979
  374   1HD2  LEU  52          1HD2      LEU  52   8.953  -5.068   3.613
  375   2HD2  LEU  52          2HD2      LEU  52  10.730  -5.116   3.531
  376   3HD2  LEU  52          3HD2      LEU  52   9.921  -3.974   4.631
  377    H    GLN  53           H        GLN  53   8.934  -5.044  -0.812
  378    HA   GLN  53           HA       GLN  53   8.386  -7.625   0.320
  379   1HB   GLN  53          1HB       GLN  53   9.639  -8.367  -1.837
  380   2HB   GLN  53          2HB       GLN  53   8.070  -7.607  -2.015
  381   1HG   GLN  53          1HG       GLN  53  10.393  -5.727  -1.967
  382   2HG   GLN  53          2HG       GLN  53  10.333  -6.799  -3.352
  383   2HE2  GLN  53          2HE2      GLN  53   9.739  -3.834  -2.689
  384   1HE2  GLN  53          1HE2      GLN  53   8.256  -3.498  -3.519
  385    H    GLU  54           H        GLU  54  10.045  -6.073   2.002
  386    HA   GLU  54           HA       GLU  54  12.558  -7.514   1.668
  387   1HB   GLU  54          1HB       GLU  54  12.215  -4.710   1.604
  388   2HB   GLU  54          2HB       GLU  54  12.840  -5.038   3.208
  389   1HG   GLU  54          1HG       GLU  54  14.876  -5.820   2.418
  390   2HG   GLU  54          2HG       GLU  54  14.177  -6.507   0.965
  391    H    ALA  55           H        ALA  55  10.313  -8.550   3.055
  392    HA   ALA  55           HA       ALA  55  11.209  -8.256   5.841
  393   1HB   ALA  55          1HB       ALA  55   8.950  -7.285   5.391
  394   2HB   ALA  55          2HB       ALA  55   8.408  -8.883   4.825
  395   3HB   ALA  55          3HB       ALA  55   8.900  -8.660   6.521
  396    H    GLU  56           H        GLU  56  12.558  -9.997   6.114
  397    HA   GLU  56           HA       GLU  56  11.766 -12.491   4.901
  398   1HB   GLU  56          1HB       GLU  56  14.285 -11.312   5.956
  399   2HB   GLU  56          2HB       GLU  56  14.101 -13.026   6.267
  400   1HG   GLU  56          1HG       GLU  56  13.274 -12.804   3.606
  401   2HG   GLU  56          2HG       GLU  56  14.562 -11.619   3.703
  402    H    CYS  57           H        CYS  57  12.727 -11.230   8.175
  403    HA   CYS  57           HA       CYS  57  11.724 -13.607   9.416
  404   1HB   CYS  57          1HB       CYS  57  12.322 -12.430  11.526
  405   2HB   CYS  57          2HB       CYS  57  13.649 -12.658  10.404
  406    H    THR  58           H        THR  58   9.486 -13.391   8.496
  407    HA   THR  58           HA       THR  58   7.909 -11.471  10.077
  408    HB   THR  58           HB       THR  58   7.738 -12.260   7.132
  409    HG1  THR  58           HG1      THR  58   9.032 -10.395   8.169
  410   1HG2  THR  58          1HG2      THR  58   5.422 -12.254   8.241
  411   2HG2  THR  58          2HG2      THR  58   5.740 -10.569   8.717
  412   3HG2  THR  58          3HG2      THR  58   5.650 -11.005   6.994
  413    H    PHE  59           H        PHE  59   5.749 -12.157  10.652
  414    HA   PHE  59           HA       PHE  59   4.445 -13.639  11.652
  415   1HB   PHE  59          1HB       PHE  59   4.341 -13.999   8.969
  416   2HB   PHE  59          2HB       PHE  59   5.065 -15.548   9.355
  417    HD1  PHE  59           HD1      PHE  59   3.808 -16.801  11.389
  418    HD2  PHE  59           HD2      PHE  59   2.049 -13.943   8.792
  419    HE1  PHE  59           HE1      PHE  59   1.535 -17.737  11.898
  420    HE2  PHE  59           HE2      PHE  59  -0.224 -14.879   9.300
  421    HZ   PHE  59           HZ       PHE  59  -0.454 -16.765  10.847

  No H/Q in entry =         421
  Start of MODEL   85
    1    H    GLU   1           H        GLU   1  11.095  -9.404  12.135
    2    HA   GLU   1           HA       GLU   1  10.535  -7.593  14.159
    3   1HB   GLU   1          1HB       GLU   1  11.684  -6.358  11.855
    4   2HB   GLU   1          2HB       GLU   1   9.975  -5.972  11.815
    5   1HG   GLU   1          1HG       GLU   1  10.315  -5.433  14.395
    6   2HG   GLU   1          2HG       GLU   1  12.010  -5.322  13.964
    7    H    GLU   2           H        GLU   2   8.692  -8.806  14.572
    8    HA   GLU   2           HA       GLU   2   6.729  -9.704  14.302
    9   1HB   GLU   2          1HB       GLU   2   6.584  -7.115  12.865
   10   2HB   GLU   2          2HB       GLU   2   5.327  -8.245  12.404
   11   1HG   GLU   2          1HG       GLU   2   4.209  -7.633  14.281
   12   2HG   GLU   2          2HG       GLU   2   5.429  -8.487  15.205
   13    H    TYR   3           H        TYR   3   4.966 -10.419  12.416
   14    HA   TYR   3           HA       TYR   3   6.624 -11.758  10.387
   15   1HB   TYR   3          1HB       TYR   3   4.795 -13.498  10.560
   16   2HB   TYR   3          2HB       TYR   3   5.530 -13.214  12.125
   17    HD1  TYR   3           HD1      TYR   3   4.329 -11.718  13.795
   18    HD2  TYR   3           HD2      TYR   3   2.474 -13.120  10.203
   19    HE1  TYR   3           HE1      TYR   3   2.038 -11.203  14.769
   20    HE2  TYR   3           HE2      TYR   3   0.189 -12.600  11.189
   21    HH   TYR   3           HH       TYR   3  -0.904 -12.072  13.011
   22    H    VAL   4           H        VAL   4   3.401 -10.255  11.075
   23    HA   VAL   4           HA       VAL   4   3.363  -9.241   8.377
   24    HB   VAL   4           HB       VAL   4   1.654 -11.488   9.313
   25   1HG1  VAL   4          1HG1      VAL   4   0.629  -9.202   7.603
   26   2HG1  VAL   4          2HG1      VAL   4  -0.123 -10.815   7.655
   27   3HG1  VAL   4          3HG1      VAL   4  -0.052  -9.818   9.128
   28   1HG2  VAL   4          1HG2      VAL   4   3.106 -10.650   6.835
   29   2HG2  VAL   4          2HG2      VAL   4   3.059 -12.227   7.659
   30   3HG2  VAL   4          3HG2      VAL   4   1.682 -11.704   6.660
   31    H    GLY   5           H        GLY   5   2.401  -7.245   8.341
   32   1HA   GLY   5          1HA       GLY   5   1.746  -5.978  10.758
   33   2HA   GLY   5          2HA       GLY   5   0.257  -6.469   9.975
   34    H    LEU   6           H        LEU   6  -0.527  -5.319   8.204
   35    HA   LEU   6           HA       LEU   6   1.277  -3.522   6.826
   36   1HB   LEU   6          1HB       LEU   6  -1.205  -3.135   5.748
   37   2HB   LEU   6          2HB       LEU   6   0.020  -4.241   5.159
   38    HG   LEU   6           HG       LEU   6  -2.179  -5.301   5.300
   39   1HD1  LEU   6          1HD1      LEU   6   0.249  -6.295   6.440
   40   2HD1  LEU   6          2HD1      LEU   6  -1.129  -6.959   7.349
   41   3HD1  LEU   6          3HD1      LEU   6  -1.038  -7.179   5.585
   42   1HD2  LEU   6          1HD2      LEU   6  -2.079  -4.270   8.092
   43   2HD2  LEU   6          2HD2      LEU   6  -3.448  -4.415   6.964
   44   3HD2  LEU   6          3HD2      LEU   6  -2.847  -5.853   7.823
   45    H    SER   7           H        SER   7   1.397  -1.341   7.129
   46    HA   SER   7           HA       SER   7  -0.489   0.379   7.765
   47   1HB   SER   7          1HB       SER   7  -0.092   0.667  10.349
   48   2HB   SER   7          2HB       SER   7  -1.249  -0.522   9.783
   49    HG   SER   7           HG       SER   7   1.517  -1.165  10.337
   50    H    ALA   8           H        ALA   8   2.781  -0.828   8.285
   51    HA   ALA   8           HA       ALA   8   3.914   1.635   7.503
   52   1HB   ALA   8          1HB       ALA   8   4.278   2.662   9.466
   53   2HB   ALA   8          2HB       ALA   8   5.073   1.207  10.112
   54   3HB   ALA   8          3HB       ALA   8   3.312   1.406  10.276
   55    H    ASN   9           H        ASN   9   4.375  -1.451   9.339
   56    HA   ASN   9           HA       ASN   9   7.010  -1.813   8.823
   57   1HB   ASN   9          1HB       ASN   9   4.779  -3.913   8.894
   58   2HB   ASN   9          2HB       ASN   9   6.485  -4.293   9.021
   59   2HD2  ASN   9          2HD2      ASN   9   4.974  -5.129  11.001
   60   1HD2  ASN   9          1HD2      ASN   9   5.170  -4.199  12.449
   61    H    GLN  10           H        GLN  10   4.247  -3.383   7.018
   62    HA   GLN  10           HA       GLN  10   5.927  -4.094   4.876
   63   1HB   GLN  10          1HB       GLN  10   2.943  -3.977   4.534
   64   2HB   GLN  10          2HB       GLN  10   4.070  -5.220   4.030
   65   1HG   GLN  10          1HG       GLN  10   4.384  -5.367   6.755
   66   2HG   GLN  10          2HG       GLN  10   2.714  -4.842   6.669
   67   2HE2  GLN  10          2HE2      GLN  10   4.641  -7.452   6.846
   68   1HE2  GLN  10          1HE2      GLN  10   3.655  -8.673   6.113
   69    H    CYS  11           H        CYS  11   4.255  -1.192   5.782
   70    HA   CYS  11           HA       CYS  11   4.440  -0.222   3.025
   71   1HB   CYS  11          1HB       CYS  11   2.913   1.259   5.120
   72   2HB   CYS  11          2HB       CYS  11   2.675   1.204   3.385
   73    H    ALA  12           H        ALA  12   6.780  -0.542   4.658
   74    HA   ALA  12           HA       ALA  12   7.317   2.202   5.548
   75   1HB   ALA  12          1HB       ALA  12   9.440   0.701   6.400
   76   2HB   ALA  12          2HB       ALA  12   7.971   0.995   7.362
   77   3HB   ALA  12          3HB       ALA  12   8.136  -0.511   6.427
   78    H    VAL  13           H        VAL  13   7.141   1.875   2.791
   79    HA   VAL  13           HA       VAL  13   9.836   1.379   1.835
   80    HB   VAL  13           HB       VAL  13   7.758   2.393   0.005
   81   1HG1  VAL  13          1HG1      VAL  13  10.064   0.592   0.003
   82   2HG1  VAL  13          2HG1      VAL  13   8.666  -0.079  -0.872
   83   3HG1  VAL  13          3HG1      VAL  13   9.325   1.509  -1.332
   84   1HG2  VAL  13          1HG2      VAL  13   7.342  -0.084   1.669
   85   2HG2  VAL  13          2HG2      VAL  13   6.177   1.182   1.214
   86   3HG2  VAL  13          3HG2      VAL  13   6.728   0.002   0.001
   87    HA   PRO  14           HA       PRO  14  10.882   5.573   1.803
   88   1HB   PRO  14          1HB       PRO  14  12.898   5.591  -0.041
   89   2HB   PRO  14          2HB       PRO  14  13.124   5.084   1.621
   90   1HG   PRO  14          1HG       PRO  14  12.950   3.420  -0.817
   91   2HG   PRO  14          2HG       PRO  14  13.587   2.995   0.760
   92   1HD   PRO  14          1HD       PRO  14  11.050   2.222  -0.331
   93   2HD   PRO  14          2HD       PRO  14  11.639   1.895   1.287
   94    H    ALA  15           H        ALA  15   9.157   4.169  -0.551
   95    HA   ALA  15           HA       ALA  15   7.672   5.193  -1.905
   96   1HB   ALA  15          1HB       ALA  15   8.536   7.376  -0.517
   97   2HB   ALA  15          2HB       ALA  15   7.388   7.455  -1.875
   98   3HB   ALA  15          3HB       ALA  15   9.116   7.780  -2.150
   99    H    LYS  16           H        LYS  16  11.179   5.328  -2.203
  100    HA   LYS  16           HA       LYS  16  11.026   5.561  -5.089
  101   1HB   LYS  16          1HB       LYS  16  13.460   5.638  -4.987
  102   2HB   LYS  16          2HB       LYS  16  12.752   6.809  -3.894
  103   1HG   LYS  16          1HG       LYS  16  14.237   5.883  -2.397
  104   2HG   LYS  16          2HG       LYS  16  12.948   4.718  -2.172
  105   1HD   LYS  16          1HD       LYS  16  14.637   3.217  -2.635
  106   2HD   LYS  16          2HD       LYS  16  14.158   3.543  -4.289
  107   1HE   LYS  16          1HE       LYS  16  16.249   4.306  -4.720
  108   2HE   LYS  16          2HE       LYS  16  15.981   5.625  -3.598
  109   1HZ   LYS  16          1HZ       LYS  16  16.616   3.086  -2.404
  110   2HZ   LYS  16          2HZ       LYS  16  17.824   3.785  -3.252
  111   3HZ   LYS  16          3HZ       LYS  16  17.132   4.583  -2.006
  112    H    ASP  17           H        ASP  17  10.202   3.184  -3.056
  113    HA   ASP  17           HA       ASP  17  11.306   1.179  -4.852
  114   1HB   ASP  17          1HB       ASP  17  12.533   0.926  -2.776
  115   2HB   ASP  17          2HB       ASP  17  11.077   1.094  -1.816
  116    H    ARG  18           H        ARG  18   8.684   2.768  -4.552
  117    HA   ARG  18           HA       ARG  18   6.816   0.936  -3.499
  118   1HB   ARG  18          1HB       ARG  18   6.223   3.248  -5.404
  119   2HB   ARG  18          2HB       ARG  18   5.139   2.547  -4.219
  120   1HG   ARG  18          1HG       ARG  18   7.768   3.746  -3.305
  121   2HG   ARG  18          2HG       ARG  18   6.422   4.805  -3.674
  122   1HD   ARG  18          1HD       ARG  18   5.191   2.866  -2.107
  123   2HD   ARG  18          2HD       ARG  18   6.785   2.944  -1.383
  124    HE   ARG  18           HE       ARG  18   5.532   5.565  -1.893
  125   1HH1  ARG  18          1HH1      ARG  18   6.067   2.968   0.421
  126   2HH1  ARG  18          2HH1      ARG  18   5.730   3.958   1.802
  127   1HH2  ARG  18          1HH2      ARG  18   5.088   6.870  -0.071
  128   2HH2  ARG  18          2HH2      ARG  18   5.169   6.192   1.521
  129    H    VAL  19           H        VAL  19   5.637  -0.665  -4.577
  130    HA   VAL  19           HA       VAL  19   6.451  -1.221  -7.294
  131    HB   VAL  19           HB       VAL  19   4.737  -2.690  -5.283
  132   1HG1  VAL  19          1HG1      VAL  19   5.515  -3.397  -8.119
  133   2HG1  VAL  19          2HG1      VAL  19   5.090  -4.637  -6.915
  134   3HG1  VAL  19          3HG1      VAL  19   3.899  -3.396  -7.372
  135   1HG2  VAL  19          1HG2      VAL  19   7.351  -2.395  -5.067
  136   2HG2  VAL  19          2HG2      VAL  19   6.582  -3.970  -4.756
  137   3HG2  VAL  19          3HG2      VAL  19   7.382  -3.662  -6.316
  138    H    ASP  20           H        ASP  20   4.096   0.670  -5.748
  139    HA   ASP  20           HA       ASP  20   2.237   1.599  -6.370
  140   1HB   ASP  20          1HB       ASP  20   3.381   2.543  -8.237
  141   2HB   ASP  20          2HB       ASP  20   3.498   1.002  -9.063
  142    H    CYS  21           H        CYS  21   0.444   0.356  -5.744
  143    HA   CYS  21           HA       CYS  21  -0.043  -2.202  -6.818
  144   1HB   CYS  21          1HB       CYS  21  -0.819  -0.874  -4.572
  145   2HB   CYS  21          2HB       CYS  21  -2.287  -0.781  -5.525
  146    H    GLY  22           H        GLY  22  -0.544   1.014  -7.947
  147   1HA   GLY  22          1HA       GLY  22  -1.674   0.273 -10.372
  148   2HA   GLY  22          2HA       GLY  22  -1.657   1.888  -9.692
  149    H    TYR  23           H        TYR  23  -3.366   2.345  -7.923
  150    HA   TYR  23           HA       TYR  23  -5.880   1.165  -8.845
  151   1HB   TYR  23          1HB       TYR  23  -4.576   0.442  -6.487
  152   2HB   TYR  23          2HB       TYR  23  -5.499   1.820  -5.921
  153    HD1  TYR  23           HD1      TYR  23  -6.418  -0.823  -8.415
  154    HD2  TYR  23           HD2      TYR  23  -7.221   0.952  -4.606
  155    HE1  TYR  23           HE1      TYR  23  -8.471  -2.300  -8.152
  156    HE2  TYR  23           HE2      TYR  23  -9.271  -0.531  -4.356
  157    HH   TYR  23           HH       TYR  23 -10.559  -2.279  -6.963
  158    HA   PRO  24           HA       PRO  24  -7.096   5.320  -8.700
  159   1HB   PRO  24          1HB       PRO  24  -9.807   5.039  -8.892
  160   2HB   PRO  24          2HB       PRO  24  -8.736   4.964 -10.276
  161   1HG   PRO  24          1HG       PRO  24 -10.124   2.756  -8.884
  162   2HG   PRO  24          2HG       PRO  24  -9.410   2.768 -10.485
  163   1HD   PRO  24          1HD       PRO  24  -8.304   1.576  -8.122
  164   2HD   PRO  24          2HD       PRO  24  -7.540   1.690  -9.695
  165    H    HIS  25           H        HIS  25  -9.823   3.878  -7.029
  166    HA   HIS  25           HA       HIS  25  -9.732   5.885  -5.066
  167   1HB   HIS  25          1HB       HIS  25 -11.734   5.072  -4.444
  168   2HB   HIS  25          2HB       HIS  25 -11.630   4.206  -5.964
  169    HD1  HIS  25           HD1      HIS  25 -12.499   3.592  -2.598
  170    HD2  HIS  25           HD2      HIS  25 -10.149   1.520  -5.388
  171    HE1  HIS  25           HE1      HIS  25 -12.370   1.181  -1.773
  172    HE2  HIS  25           HE2      HIS  25 -10.959  -0.055  -3.556
  173    H    VAL  26           H        VAL  26  -7.849   6.033  -3.875
  174    HA   VAL  26           HA       VAL  26  -7.176   3.627  -2.331
  175    HB   VAL  26           HB       VAL  26  -4.807   4.455  -2.436
  176   1HG1  VAL  26          1HG1      VAL  26  -6.315   3.373  -4.801
  177   2HG1  VAL  26          2HG1      VAL  26  -4.575   3.720  -4.948
  178   3HG1  VAL  26          3HG1      VAL  26  -5.152   2.563  -3.724
  179   1HG2  VAL  26          1HG2      VAL  26  -6.008   6.281  -4.535
  180   2HG2  VAL  26          2HG2      VAL  26  -5.049   6.726  -3.103
  181   3HG2  VAL  26          3HG2      VAL  26  -4.275   5.884  -4.467
  182    H    THR  27           H        THR  27  -7.255   3.927  -0.158
  183    HA   THR  27           HA       THR  27  -6.986   6.682   0.827
  184    HB   THR  27           HB       THR  27  -9.004   6.492   2.078
  185    HG1  THR  27           HG1      THR  27  -8.593   3.662   1.433
  186   1HG2  THR  27          1HG2      THR  27  -9.474   4.814  -0.443
  187   2HG2  THR  27          2HG2      THR  27 -10.759   5.522   0.565
  188   3HG2  THR  27          3HG2      THR  27  -9.642   6.583  -0.328
  189    HA   PRO  28           HA       PRO  28  -4.542   4.990   3.924
  190   1HB   PRO  28          1HB       PRO  28  -5.212   6.358   6.193
  191   2HB   PRO  28          2HB       PRO  28  -4.185   7.025   4.940
  192   1HG   PRO  28          1HG       PRO  28  -7.012   7.644   5.546
  193   2HG   PRO  28          2HG       PRO  28  -5.862   8.574   4.607
  194   1HD   PRO  28          1HD       PRO  28  -7.989   6.943   3.588
  195   2HD   PRO  28          2HD       PRO  28  -6.769   7.780   2.649
  196    H    LYS  29           H        LYS  29  -6.782   3.388   3.321
  197    HA   LYS  29           HA       LYS  29  -6.618   1.601   5.431
  198   1HB   LYS  29          1HB       LYS  29  -8.030   3.597   6.425
  199   2HB   LYS  29          2HB       LYS  29  -9.338   2.865   5.518
  200   1HG   LYS  29          1HG       LYS  29  -7.659   0.968   7.113
  201   2HG   LYS  29          2HG       LYS  29  -8.621   2.095   8.051
  202   1HD   LYS  29          1HD       LYS  29 -10.663   1.395   6.742
  203   2HD   LYS  29          2HD       LYS  29  -9.685   0.221   5.884
  204   1HE   LYS  29          1HE       LYS  29  -9.715  -1.252   7.630
  205   2HE   LYS  29          2HE       LYS  29  -9.350  -0.003   8.805
  206   1HZ   LYS  29          1HZ       LYS  29 -11.946   0.343   7.801
  207   2HZ   LYS  29          2HZ       LYS  29 -11.774  -1.182   8.360
  208   3HZ   LYS  29          3HZ       LYS  29 -11.469   0.086   9.342
  209    H    GLU  30           H        GLU  30  -8.937   2.982   3.008
  210    HA   GLU  30           HA       GLU  30 -10.001   0.505   2.333
  211   1HB   GLU  30          1HB       GLU  30 -10.662   3.079   1.784
  212   2HB   GLU  30          2HB       GLU  30  -9.897   2.671   0.261
  213   1HG   GLU  30          1HG       GLU  30 -11.412   0.795  -0.093
  214   2HG   GLU  30          2HG       GLU  30 -12.049   0.923   1.535
  215    H    CYS  31           H        CYS  31  -7.236   2.419   1.051
  216    HA   CYS  31           HA       CYS  31  -6.771   0.821  -1.187
  217   1HB   CYS  31          1HB       CYS  31  -5.682   2.806  -1.358
  218   2HB   CYS  31          2HB       CYS  31  -5.270   2.872   0.343
  219    H    ASN  32           H        ASN  32  -5.805   0.652   2.267
  220    HA   ASN  32           HA       ASN  32  -4.081  -1.573   1.742
  221   1HB   ASN  32          1HB       ASN  32  -3.342  -0.103   3.508
  222   2HB   ASN  32          2HB       ASN  32  -4.932  -0.050   4.243
  223   2HD2  ASN  32          2HD2      ASN  32  -4.671  -0.880   6.187
  224   1HD2  ASN  32          1HD2      ASN  32  -3.998  -2.429   6.570
  225    H    ASN  33           H        ASN  33  -7.382  -1.132   1.868
  226    HA   ASN  33           HA       ASN  33  -7.921  -3.463   3.486
  227   1HB   ASN  33          1HB       ASN  33  -9.347  -1.384   3.700
  228   2HB   ASN  33          2HB       ASN  33  -9.833  -1.563   2.026
  229   2HD2  ASN  33          2HD2      ASN  33 -11.040  -3.403   1.382
  230   1HD2  ASN  33          1HD2      ASN  33 -12.044  -4.266   2.500
  231    H    ARG  34           H        ARG  34  -8.001  -2.182   0.133
  232    HA   ARG  34           HA       ARG  34  -9.471  -4.259  -0.974
  233   1HB   ARG  34          1HB       ARG  34  -8.670  -1.887  -1.920
  234   2HB   ARG  34          2HB       ARG  34  -7.318  -2.812  -2.542
  235   1HG   ARG  34          1HG       ARG  34 -10.255  -3.477  -3.062
  236   2HG   ARG  34          2HG       ARG  34  -9.220  -2.613  -4.182
  237   1HD   ARG  34          1HD       ARG  34  -7.636  -4.781  -3.772
  238   2HD   ARG  34          2HD       ARG  34  -9.184  -5.524  -3.420
  239    HE   ARG  34           HE       ARG  34  -9.246  -3.945  -5.876
  240   1HH1  ARG  34          1HH1      ARG  34  -8.403  -7.081  -4.520
  241   2HH1  ARG  34          2HH1      ARG  34  -8.568  -7.919  -6.027
  242   1HH2  ARG  34          1HH2      ARG  34  -9.464  -5.050  -7.864
  243   2HH2  ARG  34          2HH2      ARG  34  -9.175  -6.756  -7.942
  244    H    GLY  35           H        GLY  35  -6.132  -3.968   0.087
  245   1HA   GLY  35          1HA       GLY  35  -5.502  -6.562  -1.195
  246   2HA   GLY  35          2HA       GLY  35  -5.063  -6.153   0.452
  247    H    CYS  36           H        CYS  36  -3.714  -4.042   0.712
  248    HA   CYS  36           HA       CYS  36  -1.349  -4.339  -0.630
  249   1HB   CYS  36          1HB       CYS  36  -3.188  -3.103  -2.340
  250   2HB   CYS  36          2HB       CYS  36  -2.195  -1.792  -1.735
  251    H    CYS  37           H        CYS  37  -0.608  -1.470  -0.682
  252    HA   CYS  37           HA       CYS  37  -1.138  -0.787   2.117
  253   1HB   CYS  37          1HB       CYS  37   1.452  -1.050   0.673
  254   2HB   CYS  37          2HB       CYS  37   1.293   0.285   1.797
  255    H    PHE  38           H        PHE  38  -1.127   1.565   2.534
  256    HA   PHE  38           HA       PHE  38  -1.527   3.103   0.064
  257   1HB   PHE  38          1HB       PHE  38  -3.614   2.750   1.364
  258   2HB   PHE  38          2HB       PHE  38  -2.804   3.177   2.858
  259    HD1  PHE  38           HD1      PHE  38  -2.348   5.504   3.408
  260    HD2  PHE  38           HD2      PHE  38  -4.315   4.470  -0.207
  261    HE1  PHE  38           HE1      PHE  38  -3.068   7.891   3.117
  262    HE2  PHE  38           HE2      PHE  38  -5.035   6.856  -0.498
  263    HZ   PHE  38           HZ       PHE  38  -4.403   8.538   1.167
  264    H    ASP  39           H        ASP  39  -1.394   5.623   0.676
  265    HA   ASP  39           HA       ASP  39   0.224   6.400   2.756
  266   1HB   ASP  39          1HB       ASP  39   2.091   5.248   1.774
  267   2HB   ASP  39          2HB       ASP  39   1.662   5.764   0.155
  268    H    SER  40           H        SER  40   0.408   8.747   2.716
  269    HA   SER  40           HA       SER  40  -0.481   9.997   0.249
  270   1HB   SER  40          1HB       SER  40  -2.001  11.483   1.486
  271   2HB   SER  40          2HB       SER  40  -2.455   9.809   1.734
  272    HG   SER  40           HG       SER  40  -0.689  11.124   3.587
  273    H    ARG  41           H        ARG  41   2.086   9.576   2.006
  274    HA   ARG  41           HA       ARG  41   2.710  12.036   3.114
  275   1HB   ARG  41          1HB       ARG  41   3.879   9.595   3.167
  276   2HB   ARG  41          2HB       ARG  41   4.886  10.312   1.925
  277   1HG   ARG  41          1HG       ARG  41   5.754  11.959   3.378
  278   2HG   ARG  41          2HG       ARG  41   4.381  11.877   4.463
  279   1HD   ARG  41          1HD       ARG  41   5.112   9.770   5.398
  280   2HD   ARG  41          2HD       ARG  41   6.278   9.518   4.115
  281    HE   ARG  41           HE       ARG  41   6.637  11.179   6.489
  282   1HH1  ARG  41          1HH1      ARG  41   7.669  10.698   3.159
  283   2HH1  ARG  41          2HH1      ARG  41   9.198  11.480   3.385
  284   1HH2  ARG  41          1HH2      ARG  41   8.654  12.211   6.788
  285   2HH2  ARG  41          2HH2      ARG  41   9.762  12.346   5.463
  286    H    ILE  42           H        ILE  42   3.167  10.623  -0.167
  287    HA   ILE  42           HA       ILE  42   3.557  13.292  -1.207
  288    HB   ILE  42           HB       ILE  42   5.535  11.994  -2.564
  289   1HG1  ILE  42          1HG1      ILE  42   7.030  11.012  -0.844
  290   2HG1  ILE  42          2HG1      ILE  42   5.739  11.126   0.335
  291   1HG2  ILE  42          1HG2      ILE  42   5.351  14.328  -1.456
  292   2HG2  ILE  42          2HG2      ILE  42   6.156  13.556  -0.070
  293   3HG2  ILE  42          3HG2      ILE  42   6.957  13.589  -1.659
  294   1HD1  ILE  42          1HD1      ILE  42   5.006   9.784  -2.233
  295   2HD1  ILE  42          2HD1      ILE  42   6.172   8.917  -1.204
  296   3HD1  ILE  42          3HD1      ILE  42   4.571   9.357  -0.560
  297    HA   PRO  43           HA       PRO  43   1.054  11.341  -4.166
  298   1HB   PRO  43          1HB       PRO  43   0.720  13.459  -5.860
  299   2HB   PRO  43          2HB       PRO  43  -0.241  13.229  -4.413
  300   1HG   PRO  43          1HG       PRO  43   1.964  15.139  -4.888
  301   2HG   PRO  43          2HG       PRO  43   0.732  15.172  -3.642
  302   1HD   PRO  43          1HD       PRO  43   3.472  14.384  -3.326
  303   2HD   PRO  43          2HD       PRO  43   2.212  14.307  -2.110
  304    H    GLY  44           H        GLY  44   3.891  13.130  -5.157
  305   1HA   GLY  44          1HA       GLY  44   5.534  12.491  -6.575
  306   2HA   GLY  44          2HA       GLY  44   4.219  12.397  -7.729
  307    H    VAL  45           H        VAL  45   4.337  10.268  -4.872
  308    HA   VAL  45           HA       VAL  45   5.266   8.079  -6.581
  309    HB   VAL  45           HB       VAL  45   6.175   7.124  -4.744
  310   1HG1  VAL  45          1HG1      VAL  45   5.997  10.041  -3.920
  311   2HG1  VAL  45          2HG1      VAL  45   7.098   8.847  -3.192
  312   3HG1  VAL  45          3HG1      VAL  45   7.262   9.277  -4.912
  313   1HG2  VAL  45          1HG2      VAL  45   3.933   8.378  -3.141
  314   2HG2  VAL  45          2HG2      VAL  45   4.230   6.655  -3.472
  315   3HG2  VAL  45          3HG2      VAL  45   5.314   7.551  -2.381
  316    HA   PRO  46           HA       PRO  46   1.415   6.121  -6.388
  317   1HB   PRO  46          1HB       PRO  46   1.968   3.478  -5.969
  318   2HB   PRO  46          2HB       PRO  46   2.147   4.259  -7.527
  319   1HG   PRO  46          1HG       PRO  46   4.245   3.445  -5.610
  320   2HG   PRO  46          2HG       PRO  46   4.402   3.824  -7.313
  321   1HD   PRO  46          1HD       PRO  46   5.129   5.506  -5.106
  322   2HD   PRO  46          2HD       PRO  46   5.178   5.928  -6.806
  323    H    TRP  47           H        TRP  47   0.463   7.241  -4.662
  324    HA   TRP  47           HA       TRP  47   0.781   6.938  -2.069
  325   1HB   TRP  47          1HB       TRP  47  -1.664   7.233  -3.741
  326   2HB   TRP  47          2HB       TRP  47  -1.888   6.886  -2.038
  327    HD1  TRP  47           HD1      TRP  47   1.058   9.128  -3.083
  328    HE1  TRP  47           HE1      TRP  47   0.716  11.612  -2.258
  329    HE3  TRP  47           HE3      TRP  47  -3.728   8.495  -1.488
  330    HZ2  TRP  47           HZ2      TRP  47  -1.469  13.001  -1.057
  331    HZ3  TRP  47           HZ3      TRP  47  -4.894  10.465  -0.502
  332    HH2  TRP  47           HH2      TRP  47  -3.842  12.659  -0.274
  333    H    CYS  48           H        CYS  48  -1.164   4.639  -4.112
  334    HA   CYS  48           HA       CYS  48  -1.127   2.760  -1.902
  335   1HB   CYS  48          1HB       CYS  48  -3.190   3.359  -3.341
  336   2HB   CYS  48          2HB       CYS  48  -2.470   2.326  -4.561
  337    H    PHE  49           H        PHE  49   0.693   1.485  -1.789
  338    HA   PHE  49           HA       PHE  49   1.694   0.413  -4.326
  339   1HB   PHE  49          1HB       PHE  49   3.994   0.617  -3.101
  340   2HB   PHE  49          2HB       PHE  49   3.286   2.121  -3.657
  341    HD1  PHE  49           HD1      PHE  49   3.380  -0.058  -0.629
  342    HD2  PHE  49           HD2      PHE  49   3.104   3.885  -2.171
  343    HE1  PHE  49           HE1      PHE  49   3.503   0.862   1.703
  344    HE2  PHE  49           HE2      PHE  49   3.228   4.806   0.160
  345    HZ   PHE  49           HZ       PHE  49   3.426   3.283   2.070
  346    H    LYS  50           H        LYS  50   3.136  -1.575  -3.937
  347    HA   LYS  50           HA       LYS  50   1.684  -3.365  -2.278
  348   1HB   LYS  50          1HB       LYS  50   4.302  -3.841  -3.728
  349   2HB   LYS  50          2HB       LYS  50   3.166  -5.051  -3.166
  350   1HG   LYS  50          1HG       LYS  50   1.411  -3.851  -4.679
  351   2HG   LYS  50          2HG       LYS  50   2.776  -3.024  -5.403
  352   1HD   LYS  50          1HD       LYS  50   2.622  -4.878  -6.812
  353   2HD   LYS  50          2HD       LYS  50   3.782  -5.473  -5.641
  354   1HE   LYS  50          1HE       LYS  50   2.203  -6.863  -4.568
  355   2HE   LYS  50          2HE       LYS  50   0.836  -5.906  -5.106
  356   1HZ   LYS  50          1HZ       LYS  50   2.440  -7.149  -7.162
  357   2HZ   LYS  50          2HZ       LYS  50   1.514  -8.142  -6.254
  358   3HZ   LYS  50          3HZ       LYS  50   0.823  -6.925  -7.095
  359    HA   PRO  51           HA       PRO  51   4.093  -3.271   1.302
  360   1HB   PRO  51          1HB       PRO  51   4.164  -5.874   2.132
  361   2HB   PRO  51          2HB       PRO  51   2.776  -4.830   2.368
  362   1HG   PRO  51          1HG       PRO  51   3.135  -7.023   0.419
  363   2HG   PRO  51          2HG       PRO  51   1.649  -6.266   0.958
  364   1HD   PRO  51          1HD       PRO  51   2.992  -5.827  -1.539
  365   2HD   PRO  51          2HD       PRO  51   1.571  -4.986  -0.950
  366    H    LEU  52           H        LEU  52   6.152  -2.770   1.680
  367    HA   LEU  52           HA       LEU  52   8.162  -3.274   0.033
  368   1HB   LEU  52          1HB       LEU  52   8.390  -1.837   1.923
  369   2HB   LEU  52          2HB       LEU  52   8.206  -3.170   3.046
  370    HG   LEU  52           HG       LEU  52  10.535  -2.842   1.134
  371   1HD1  LEU  52          1HD1      LEU  52  10.109  -1.929   3.958
  372   2HD1  LEU  52          2HD1      LEU  52  11.731  -2.438   3.430
  373   3HD1  LEU  52          3HD1      LEU  52  10.901  -1.103   2.595
  374   1HD2  LEU  52          1HD2      LEU  52   9.658  -5.015   2.894
  375   2HD2  LEU  52          2HD2      LEU  52  10.824  -5.018   1.548
  376   3HD2  LEU  52          3HD2      LEU  52  11.341  -4.505   3.172
  377    H    GLN  53           H        GLN  53   9.587  -4.900  -0.546
  378    HA   GLN  53           HA       GLN  53   8.688  -7.503  -0.152
  379   1HB   GLN  53          1HB       GLN  53  10.982  -6.163  -1.498
  380   2HB   GLN  53          2HB       GLN  53  11.275  -7.827  -1.034
  381   1HG   GLN  53          1HG       GLN  53  10.303  -7.603  -3.345
  382   2HG   GLN  53          2HG       GLN  53   9.331  -8.604  -2.285
  383   2HE2  GLN  53          2HE2      GLN  53   9.685  -5.074  -2.438
  384   1HE2  GLN  53          1HE2      GLN  53   8.029  -4.696  -2.778
  385    H    GLU  54           H        GLU  54   8.536  -7.594   2.239
  386    HA   GLU  54           HA       GLU  54  10.787  -7.292   3.835
  387   1HB   GLU  54          1HB       GLU  54   8.027  -7.927   4.170
  388   2HB   GLU  54          2HB       GLU  54   8.917  -9.217   4.953
  389   1HG   GLU  54          1HG       GLU  54   9.763  -6.352   5.441
  390   2HG   GLU  54          2HG       GLU  54   8.347  -6.969   6.268
  391    H    ALA  55           H        ALA  55  12.560  -8.423   2.856
  392    HA   ALA  55           HA       ALA  55  12.399 -11.322   3.263
  393   1HB   ALA  55          1HB       ALA  55  12.371 -11.452   0.988
  394   2HB   ALA  55          2HB       ALA  55  14.112 -11.119   1.148
  395   3HB   ALA  55          3HB       ALA  55  12.982  -9.793   0.782
  396    H    GLU  56           H        GLU  56  13.307 -10.283   5.382
  397    HA   GLU  56           HA       GLU  56  15.976  -9.327   5.153
  398   1HB   GLU  56          1HB       GLU  56  13.904  -9.378   7.155
  399   2HB   GLU  56          2HB       GLU  56  15.342 -10.097   7.853
  400   1HG   GLU  56          1HG       GLU  56  16.655  -8.075   6.952
  401   2HG   GLU  56          2HG       GLU  56  15.112  -7.346   6.556
  402    H    CYS  57           H        CYS  57  14.432 -12.238   6.707
  403    HA   CYS  57           HA       CYS  57  16.982 -13.612   6.256
  404   1HB   CYS  57          1HB       CYS  57  15.082 -14.470   8.405
  405   2HB   CYS  57          2HB       CYS  57  16.806 -14.751   8.261
  406    H    THR  58           H        THR  58  13.429 -14.165   6.867
  407    HA   THR  58           HA       THR  58  12.945 -15.417   4.428
  408    HB   THR  58           HB       THR  58  14.333 -17.268   5.032
  409    HG1  THR  58           HG1      THR  58  11.932 -17.669   4.589
  410   1HG2  THR  58          1HG2      THR  58  12.993 -17.200   7.788
  411   2HG2  THR  58          2HG2      THR  58  14.207 -18.384   7.247
  412   3HG2  THR  58          3HG2      THR  58  14.662 -16.676   7.459
  413    H    PHE  59           H        PHE  59  12.186 -15.328   7.946
  414    HA   PHE  59           HA       PHE  59   9.358 -15.268   7.164
  415   1HB   PHE  59          1HB       PHE  59  10.704 -16.981   8.866
  416   2HB   PHE  59          2HB       PHE  59  10.317 -15.702  10.001
  417    HD1  PHE  59           HD1      PHE  59   8.897 -18.261   7.777
  418    HD2  PHE  59           HD2      PHE  59   8.061 -15.343  10.743
  419    HE1  PHE  59           HE1      PHE  59   6.595 -19.219   8.071
  420    HE2  PHE  59           HE2      PHE  59   5.760 -16.301  11.036
  421    HZ   PHE  59           HZ       PHE  59   5.054 -18.227   9.697

  No H/Q in entry =         421