*HEADER    HYDROLASE                               15-APR-02   1GXX
*TITLE     SOLUTION STRUCTURE OF LYSOZYME AT LOW AND HIGH PRESSURE
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: LYSOZYME C;
*COMPND   3 SYNONYM: 1,4-BETA-N-ACETYLMURAMIDASE C, ALLERGEN GAL D 4;
*COMPND   4 CHAIN: A;
*COMPND   5 EC: 3.2.1.17
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: GALLUS GALLUS;
*SOURCE   3 ORGANISM_COMMON: CHICKEN;
*SOURCE   4 ORGAN: EGG-WHITE
*KEYWDS    HYDROLASE, SACCHARIDE DEGRADATION,GLYCOSIDASE, BACTERIOLYTIC
*KEYWDS   2 ENZYME, ALLERGEN, EGG-WHITE, SIGNAL
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE
*AUTHOR    M.REFAEE,K.AKASAKA,M.WILLIAMSON
*REVDAT   1   15-APR-02 1GXX    0




! HN protons
OBSE (resid 2 and (name HN))	    8.5840
OBSE (resid 3 and (name HN))	    9.2440
OBSE (resid 4 and (name HN))	    8.6300
OBSE (resid 5 and (name HN))	    8.5340
OBSE (resid 6 and (name HN))	    8.2950
OBSE (resid 7 and (name HN))	    7.8940
OBSE (resid 8 and (name HN))	    8.3940
OBSE (resid 9 and (name HN))	    8.2490
OBSE (resid 10 and (name HN))	    8.3970
OBSE (resid 11 and (name HN))	    8.5850
OBSE (resid 12 and (name HN))	    8.9200
OBSE (resid 13 and (name HN))	    7.8110
OBSE (resid 14 and (name HN))	    8.7170
OBSE (resid 15 and (name HN))	    7.9650
OBSE (resid 16 and (name HN))	    7.2240
OBSE (resid 17 and (name HN))	    8.9760
OBSE (resid 18 and (name HN))	    8.3200
OBSE (resid 19 and (name HN))	    9.2180
OBSE (resid 20 and (name HN))	    7.3530
OBSE (resid 21 and (name HN))	    8.4080
OBSE (resid 22 and (name HN))	    6.9000
OBSE (resid 23 and (name HN))	    7.4330
OBSE (resid 24 and (name HN))	    8.9810
OBSE (resid 25 and (name HN))	    9.2290
OBSE (resid 26 and (name HN))	    8.1430
OBSE (resid 27 and (name HN))	    8.1370
OBSE (resid 28 and (name HN))	    7.6600
OBSE (resid 29 and (name HN))	    9.5070
OBSE (resid 30 and (name HN))	    7.8330
OBSE (resid 31 and (name HN))	    7.9560
OBSE (resid 32 and (name HN))	    8.6890
OBSE (resid 33 and (name HN))	    8.9550
OBSE (resid 34 and (name HN))	    8.1960
OBSE (resid 35 and (name HN))	    8.1870
OBSE (resid 36 and (name HN))	    8.9390
OBSE (resid 37 and (name HN))	    8.7750
OBSE (resid 38 and (name HN))	    7.3110
OBSE (resid 39 and (name HN))	    8.5410
OBSE (resid 40 and (name HN))	    9.4930
OBSE (resid 41 and (name HN))	    8.1500
OBSE (resid 42 and (name HN))	    8.1480
OBSE (resid 43 and (name HN))	    8.6520
OBSE (resid 44 and (name HN))	    9.1250
OBSE (resid 45 and (name HN))	    8.4640
OBSE (resid 46 and (name HN))	    8.8700
OBSE (resid 47 and (name HN))	    8.5890
OBSE (resid 48 and (name HN))	    8.2730
OBSE (resid 49 and (name HN))	    7.4890
OBSE (resid 50 and (name HN))	    8.3360
OBSE (resid 51 and (name HN))	    8.6880
OBSE (resid 52 and (name HN))	    7.8660
OBSE (resid 53 and (name HN))	    8.8750
OBSE (resid 54 and (name HN))	    8.3840
OBSE (resid 55 and (name HN))	    8.5440
OBSE (resid 56 and (name HN))	    7.8540
OBSE (resid 57 and (name HN))	    7.2090
OBSE (resid 58 and (name HN))	    7.9940
OBSE (resid 59 and (name HN))	    9.4210
OBSE (resid 60 and (name HN))	    8.9130
OBSE (resid 61 and (name HN))	    7.5230
OBSE (resid 62 and (name HN))	    8.5220
OBSE (resid 63 and (name HN))	    8.2260
OBSE (resid 64 and (name HN))	    9.1610
OBSE (resid 65 and (name HN))	    9.4870
OBSE (resid 66 and (name HN))	    9.0610
OBSE (resid 67 and (name HN))	    9.5180
OBSE (resid 68 and (name HN))	    7.7100
OBSE (resid 69 and (name HN))	    8.4970
OBSE (resid 71 and (name HN))	    8.8200
OBSE (resid 72 and (name HN))	    8.4940
OBSE (resid 73 and (name HN))	    8.4520
OBSE (resid 74 and (name HN))	    8.7610
OBSE (resid 75 and (name HN))	    8.1850
OBSE (resid 76 and (name HN))	    8.7440
OBSE (resid 77 and (name HN))	    8.2750
OBSE (resid 78 and (name HN))	    8.0000
OBSE (resid 80 and (name HN))	    9.4720
OBSE (resid 81 and (name HN))	    8.0580
OBSE (resid 82 and (name HN))	    7.4830
OBSE (resid 83 and (name HN))	    7.4270
OBSE (resid 84 and (name HN))	    7.5390
OBSE (resid 85 and (name HN))	    7.7390
OBSE (resid 86 and (name HN))	    8.8710
OBSE (resid 87 and (name HN))	    7.7260
OBSE (resid 88 and (name HN))	    7.9600
OBSE (resid 89 and (name HN))	    7.5950
OBSE (resid 90 and (name HN))	    7.9570
OBSE (resid 91 and (name HN))	    8.2960
OBSE (resid 92 and (name HN))	    8.8370
OBSE (resid 93 and (name HN))	    8.2080
OBSE (resid 94 and (name HN))	    8.2630
OBSE (resid 95 and (name HN))	    8.5670
OBSE (resid 96 and (name HN))	    8.1630
OBSE (resid 97 and (name HN))	    7.1150
OBSE (resid 98 and (name HN))	    8.9760
OBSE (resid 99 and (name HN))	    8.7530
OBSE (resid 100 and (name HN))	    7.5460
OBSE (resid 101 and (name HN))	    9.0920
OBSE (resid 102 and (name HN))	    8.0920
OBSE (resid 103 and (name HN))	    8.6570
OBSE (resid 104 and (name HN))	    8.4930
OBSE (resid 105 and (name HN))	    8.7000
OBSE (resid 106 and (name HN))	    8.6680
OBSE (resid 107 and (name HN))	    7.7250
OBSE (resid 108 and (name HN))	    9.0430
OBSE (resid 109 and (name HN))	    9.0640
OBSE (resid 110 and (name HN))	    8.6080
OBSE (resid 111 and (name HN))	    8.1660
OBSE (resid 112 and (name HN))	    8.7100
OBSE (resid 113 and (name HN))	    8.4360
OBSE (resid 114 and (name HN))	    8.9000
OBSE (resid 115 and (name HN))	    7.3360
OBSE (resid 116 and (name HN))	    8.2760
OBSE (resid 117 and (name HN))	    8.3640
OBSE (resid 118 and (name HN))	    7.8540
OBSE (resid 119 and (name HN))	    9.0980
OBSE (resid 120 and (name HN))	    8.6510
OBSE (resid 121 and (name HN))	    8.1620
OBSE (resid 122 and (name HN))	    8.4010
OBSE (resid 123 and (name HN))	    6.8020
OBSE (resid 124 and (name HN))	    7.4050
OBSE (resid 125 and (name HN))	    9.2990
OBSE (resid 126 and (name HN))	    8.4110
OBSE (resid 127 and (name HN))	    8.2240
OBSE (resid 128 and (name HN))	    8.0940
OBSE (resid 129 and (name HN))	    8.3740
!HA protons
OBSE (resid 2 and (name HA))	    4.7480
OBSE (resid 3 and (name HA))	    5.2000
OBSE (resid 8 and (name HA))	    4.0020
OBSE (resid 9 and (name HA))	    4.0840
OBSE (resid 11 and (name HA))	    4.2170
OBSE (resid 15 and (name HA))	    4.8030
OBSE (resid 17 and (name HA))	    4.0640
OBSE (resid 19 and (name HA))	    3.8110
OBSE (resid 21 and (name HA))	    4.2110
OBSE (resid 23 and (name HA))	    4.5530
OBSE (resid 28 and (name HA))	    5.0880
OBSE (resid 29 and (name HA))	    4.1690
OBSE (resid 32 and (name HA))	    4.3250
OBSE (resid 34 and (name HA))	    5.2280
OBSE (resid 36 and (name HA))	    4.5020
OBSE (resid 37 and (name HA))	    3.9790
OBSE (resid 38 and (name HA))	    5.1820
OBSE (resid 39 and (name HA))	    5.3480
OBSE (resid 41 and (name HA))	    4.3670
OBSE (resid 43 and (name HA))	    4.6260
OBSE (resid 45 and (name HA))	    4.5810
OBSE (resid 46 and (name HA))	    5.0750
OBSE (resid 48 and (name HA))	    4.4940
OBSE (resid 52 and (name HA))	    4.8840
OBSE (resid 55 and (name HA))	    4.1340
OBSE (resid 56 and (name HA))	    4.2430
OBSE (resid 58 and (name HA))	    4.8700
OBSE (resid 59 and (name HA))	    4.8800
OBSE (resid 61 and (name HA))	    4.3900
OBSE (resid 62 and (name HA))	    5.1680
OBSE (resid 63 and (name HA))	    6.1570
OBSE (resid 64 and (name HA))	    4.6730
OBSE (resid 65 and (name HA))	    5.0220
OBSE (resid 76 and (name HA))	    4.8160
OBSE (resid 78 and (name HA))	    4.3010
OBSE (resid 81 and (name HA))	    4.0240
OBSE (resid 82 and (name HA))	    4.0640
OBSE (resid 83 and (name HA))	    4.1180
OBSE (resid 84 and (name HA))	    4.6620
OBSE (resid 85 and (name HA))	    4.3850
OBSE (resid 87 and (name HA))	    5.2960
OBSE (resid 91 and (name HA))	    4.2650
OBSE (resid 94 and (name HA))	    4.5130
OBSE (resid 97 and (name HA))	    4.2430
OBSE (resid 98 and (name HA))	    3.9180
OBSE (resid 107 and (name HA))	    4.2640
OBSE (resid 110 and (name HA))	    4.1960
OBSE (resid 111 and (name HA))	    4.7040
OBSE (resid 113 and (name HA))	    4.5270
OBSE (resid 114 and (name HA))	    4.1990
OBSE (resid 115 and (name HA))	    4.5370
OBSE (resid 119 and (name HA))	    5.1920
OBSE (resid 120 and (name HA))	    4.7120
OBSE (resid 121 and (name HA))	    4.5910
OBSE (resid 122 and (name HA))	    3.7610
OBSE (resid 125 and (name HA))	    4.1470
OBSE (resid 127 and (name HA))	    4.4750
OBSE (resid 128 and (name HA))	    4.0210
OBSE (resid 129 and (name HA))	    4.2350
!Single methyls
OBSE (resid 10 and (name HB#))	    1.6880
OBSE (resid 11 and (name HB#))	    1.4280
OBSE (resid 31 and (name HB#))	    1.6690
OBSE (resid 40 and (name HG2#))	    1.1420
OBSE (resid 43 and (name HG2#))	    1.2210
OBSE (resid 51 and (name HG2#))	    0.6830
OBSE (resid 55 and (name HD1#))	    0.6470
OBSE (resid 58 and (name HD1#))	    0.7370
OBSE (resid 69 and (name HG2#))	    0.9810
OBSE (resid 82 and (name HB#))	    1.5740
OBSE (resid 88 and (name HD1#))	    0.0570
OBSE (resid 89 and (name HG2#))	    1.1170
OBSE (resid 98 and (name HG2#))	   -0.3420
OBSE (resid 98 and (name HD1#))	    0.4830
OBSE (resid 107 and (name HB#))	    1.2310
OBSE (resid 110 and (name HB#))	    1.7400
OBSE (resid 118 and (name HG2#))    0.7920
OBSE (resid 122 and (name HB#))	    0.7570
OBSE (resid 124 and (name HG2#))    0.7290
OBSE (resid 124 and (name HD1#))    1.1150
!Other sidechain protons
OBSE (resid 3 and (name HE1 ))	    7.1930
OBSE (resid 8 and (name HG ))	    1.4140
OBSE (resid 23 and (name HD1 ))	    5.6430
OBSE (resid 23 and (name HE1 ))	    4.5330
OBSE (resid 28 and (name HD1 ))	    6.7550
OBSE (resid 28 and (name HE3 ))	    7.1190
OBSE (resid 28 and (name HZ2 ))	    7.1900
OBSE (resid 38 and (name HD1 ))	    7.1650
OBSE (resid 38 and (name HE1 ))	    7.2460
OBSE (resid 38 and (name HZ ))	    7.1650
OBSE (resid 40 and (name HB ))	    4.2310
OBSE (resid 43 and (name HB ))	    4.1430
OBSE (resid 51 and (name HB ))	    4.4010
OBSE (resid 53 and (name HE1 ))	    6.7580
OBSE (resid 63 and (name HZ3 ))	    7.2690
OBSE (resid 69 and (name HB ))	    4.2440
OBSE (resid 83 and (name HG ))	    1.4870
OBSE (resid 89 and (name HB ))	    4.0280
OBSE (resid 92 and (name HB ))	    1.6880
OBSE (resid 98 and (name HB ))	    1.7280
OBSE (resid 98 and (name HG1))      1.1180
OBSE (resid 99 and (name HG ))	    1.8670
OBSE (resid 108 and (name HZ3 ))    7.1950
OBSE (resid 111 and (name HE3 ))    7.2510
OBSE (resid 111 and (name HZ3 ))    6.6810
OBSE (resid 118 and (name HB ))	    4.5970
OBSE (resid 123 and (name HE3 ))    7.4130
OBSE (resid 123 and (name HZ2 ))    7.9080
OBSE (resid 123 and (name HZ3 ))    6.8970
OBSE (resid 123 and (name HH2 ))    7.5900
OBSE (resid 129 and (name HG ))	    0.7470
!Degenerate methyls (shift of both methyls: only sum is used)
OBSE (resid 8 and (name HD1#)) (resid 8 and (name HD2#)) 0.5170  0.1200 
OBSE (resid 17 and (name HD1#)) (resid 17 and (name HD2#)) -0.0600  -0.0090
OBSE (resid 99 and (name HG1#)) (resid 99 and (name HG2#)) 0.9810  0.6560
!Other degenerate
OBSE (resid 88 and (name HG1 )) (resid 88 and (name HG2)) 0.1790  0.6530 
  Entry H atom name         Submitted Coord H atom name
    1    H1   LYS   1          1H        LYS   1   3.615  10.174  12.137
    2    H2   LYS   1          2H        LYS   1   4.078   8.654  11.525
    3    H3   LYS   1          3H        LYS   1   4.872  10.060  10.992
    4    HA   LYS   1           HA       LYS   1   3.334   9.306   9.293
    5   1HB   LYS   1          1HB       LYS   1   1.815   8.174  11.007
    6   2HB   LYS   1          2HB       LYS   1   1.163   9.771  11.358
    7   1HG   LYS   1          1HG       LYS   1   1.114   9.538   8.541
    8   2HG   LYS   1          2HG       LYS   1   0.528   7.999   9.157
    9   1HD   LYS   1          1HD       LYS   1  -1.077   9.219  10.615
   10   2HD   LYS   1          2HD       LYS   1  -0.529  10.736   9.915
   11   1HE   LYS   1          1HE       LYS   1  -1.112   9.204   7.678
   12   2HE   LYS   1          2HE       LYS   1  -2.377   8.744   8.816
   13   1HZ   LYS   1          1HZ       LYS   1  -2.495  11.297   9.209
   14   2HZ   LYS   1          2HZ       LYS   1  -1.782  11.387   7.675
   15   3HZ   LYS   1          3HZ       LYS   1  -3.299  10.616   7.858
   16    H    VAL   2           H        VAL   2   2.171  10.908   8.066
   17    HA   VAL   2           HA       VAL   2   2.489  13.682   9.072
   18    HB   VAL   2           HB       VAL   2   2.155  12.832   6.192
   19   1HG1  VAL   2          1HG1      VAL   2   2.938  15.300   7.622
   20   2HG1  VAL   2          2HG1      VAL   2   3.452  15.044   5.981
   21   3HG1  VAL   2          3HG1      VAL   2   1.773  15.103   6.378
   22   1HG2  VAL   2          1HG2      VAL   2   4.687  13.283   7.688
   23   2HG2  VAL   2          2HG2      VAL   2   4.144  11.773   7.104
   24   3HG2  VAL   2          3HG2      VAL   2   4.592  13.006   5.988
   25    H    PHE   3           H        PHE   3   0.761  15.225   8.339
   26    HA   PHE   3           HA       PHE   3  -1.856  13.884   7.815
   27   1HB   PHE   3          1HB       PHE   3  -1.032  15.366  10.230
   28   2HB   PHE   3          2HB       PHE   3  -2.588  15.844   9.562
   29    HD1  PHE   3           HD1      PHE   3  -4.435  14.202   9.362
   30    HD2  PHE   3           HD2      PHE   3  -0.694  13.180  11.193
   31    HE1  PHE   3           HE1      PHE   3  -5.496  12.220  10.432
   32    HE2  PHE   3           HE2      PHE   3  -1.744  11.213  12.257
   33    HZ   PHE   3           HZ       PHE   3  -4.147  10.731  11.884
   34    H    GLY   4           H        GLY   4  -2.386  14.793   5.866
   35   1HA   GLY   4          2HA       GLY   4  -2.761  16.456   4.242
   36   2HA   GLY   4          1HA       GLY   4  -1.558  17.442   5.069
   37    H    ARG   5           H        ARG   5  -3.205  19.121   4.371
   38    HA   ARG   5           HA       ARG   5  -4.571  20.255   6.546
   39   1HB   ARG   5          1HB       ARG   5  -3.948  21.411   4.408
   40   2HB   ARG   5          2HB       ARG   5  -5.310  20.617   3.628
   41   1HG   ARG   5          1HG       ARG   5  -6.768  22.119   4.477
   42   2HG   ARG   5          2HG       ARG   5  -6.147  21.880   6.108
   43   1HD   ARG   5          1HD       ARG   5  -5.075  23.856   6.012
   44   2HD   ARG   5          2HD       ARG   5  -4.189  23.328   4.586
   45    HE   ARG   5           HE       ARG   5  -6.746  24.052   3.654
   46   1HH1  ARG   5          1HH1      ARG   5  -7.178  26.099   2.864
   47   2HH1  ARG   5          2HH1      ARG   5  -6.172  27.425   3.352
   48   1HH2  ARG   5          1HH2      ARG   5  -4.150  25.499   5.363
   49   2HH2  ARG   5          2HH2      ARG   5  -4.495  27.112   4.808
   50    H    CYS   6           H        CYS   6  -6.334  18.858   3.745
   51    HA   CYS   6           HA       CYS   6  -8.849  18.769   4.997
   52   1HB   CYS   6          1HB       CYS   6  -7.631  17.411   2.664
   53   2HB   CYS   6          2HB       CYS   6  -9.089  16.672   3.321
   54    H    GLU   7           H        GLU   7  -6.433  16.097   4.921
   55    HA   GLU   7           HA       GLU   7  -7.958  14.214   6.377
   56   1HB   GLU   7          1HB       GLU   7  -5.734  13.763   5.282
   57   2HB   GLU   7          2HB       GLU   7  -4.959  14.664   6.579
   58   1HG   GLU   7          1HG       GLU   7  -5.979  13.077   8.224
   59   2HG   GLU   7          2HG       GLU   7  -6.614  12.146   6.881
   60    H    LEU   8           H        LEU   8  -5.514  16.547   7.615
   61    HA   LEU   8           HA       LEU   8  -5.899  16.112  10.393
   62   1HB   LEU   8          1HB       LEU   8  -4.109  17.490   9.299
   63   2HB   LEU   8          2HB       LEU   8  -5.300  18.760   9.025
   64    HG   LEU   8           HG       LEU   8  -5.784  18.481  11.585
   65   1HD1  LEU   8          1HD1      LEU   8  -3.754  16.776  11.505
   66   2HD1  LEU   8          2HD1      LEU   8  -3.159  17.727  12.008
   67   3HD1  LEU   8          3HD1      LEU   8  -4.144  17.254  12.567
   68   1HD2  LEU   8          1HD2      LEU   8  -3.375  19.846  10.466
   69   2HD2  LEU   8          2HD2      LEU   8  -4.817  20.488  10.679
   70   3HD2  LEU   8          3HD2      LEU   8  -3.921  20.120  11.941
   71    H    ALA   9           H        ALA   9  -7.681  18.267   8.131
   72    HA   ALA   9           HA       ALA   9  -9.298  19.603  10.079
   73   1HB   ALA   9          3HB       ALA   9 -10.713  20.188   8.191
   74   2HB   ALA   9          2HB       ALA   9 -10.049  18.920   7.235
   75   3HB   ALA   9          1HB       ALA   9  -9.074  20.268   7.674
   76    H    ALA  10           H        ALA  10  -9.919  16.709   8.098
   77    HA   ALA  10           HA       ALA  10 -12.485  16.072   9.206
   78   1HB   ALA  10          3HB       ALA  10 -11.933  14.914   7.233
   79   2HB   ALA  10          1HB       ALA  10 -10.334  14.509   7.802
   80   3HB   ALA  10          2HB       ALA  10 -11.728  13.683   8.450
   81    H    ALA  11           H        ALA  11  -9.191  15.083  10.050
   82    HA   ALA  11           HA       ALA  11  -9.847  13.360  12.223
   83   1HB   ALA  11          2HB       ALA  11  -7.365  15.069  12.127
   84   2HB   ALA  11          1HB       ALA  11  -7.581  13.724  11.016
   85   3HB   ALA  11          3HB       ALA  11  -7.539  13.432  12.749
   86    H    MET  12           H        MET  12  -8.784  16.796  12.297
   87    HA   MET  12           HA       MET  12  -9.165  17.225  15.061
   88   1HB   MET  12          1HB       MET  12  -9.436  19.047  12.667
   89   2HB   MET  12          2HB       MET  12  -9.603  19.644  14.318
   90   1HG   MET  12          1HG       MET  12  -7.240  17.945  13.900
   91   2HG   MET  12          2HG       MET  12  -7.214  19.431  12.971
   92   1HE   MET  12          1HE       MET  12  -5.658  18.087  15.539
   93   2HE   MET  12          2HE       MET  12  -4.913  19.434  14.875
   94   3HE   MET  12          3HE       MET  12  -5.223  19.372  16.532
   95    H    LYS  13           H        LYS  13 -11.576  17.046  12.485
   96    HA   LYS  13           HA       LYS  13 -13.727  18.167  14.103
   97   1HB   LYS  13          1HB       LYS  13 -13.402  17.767  11.424
   98   2HB   LYS  13          2HB       LYS  13 -14.422  16.400  11.830
   99   1HG   LYS  13          1HG       LYS  13 -16.220  17.705  12.279
  100   2HG   LYS  13          2HG       LYS  13 -15.255  18.952  13.052
  101   1HD   LYS  13          1HD       LYS  13 -15.258  18.514  10.073
  102   2HD   LYS  13          2HD       LYS  13 -16.369  19.604  10.858
  103   1HE   LYS  13          1HE       LYS  13 -14.265  20.638  11.925
  104   2HE   LYS  13          2HE       LYS  13 -13.403  19.805  10.661
  105   1HZ   LYS  13          1HZ       LYS  13 -15.706  21.206   9.716
  106   2HZ   LYS  13          2HZ       LYS  13 -14.530  22.230  10.413
  107   3HZ   LYS  13          3HZ       LYS  13 -14.124  21.199   9.106
  108    H    ARG  14           H        ARG  14 -12.839  14.894  12.999
  109    HA   ARG  14           HA       ARG  14 -14.895  13.458  14.341
  110   1HB   ARG  14          1HB       ARG  14 -13.478  12.367  12.689
  111   2HB   ARG  14          2HB       ARG  14 -12.041  12.663  13.666
  112   1HG   ARG  14          1HG       ARG  14 -14.227  11.217  15.055
  113   2HG   ARG  14          2HG       ARG  14 -13.476  10.337  13.727
  114   1HD   ARG  14          1HD       ARG  14 -11.596  11.703  15.577
  115   2HD   ARG  14          2HD       ARG  14 -12.485  10.343  16.257
  116    HE   ARG  14           HE       ARG  14 -11.519   9.484  13.748
  117   1HH1  ARG  14          1HH1      ARG  14  -9.601   8.377  13.522
  118   2HH1  ARG  14          2HH1      ARG  14  -8.359   8.497  14.736
  119   1HH2  ARG  14          1HH2      ARG  14 -10.222  10.625  16.728
  120   2HH2  ARG  14          2HH2      ARG  14  -8.731   9.745  16.574
  121    H    HIS  15           H        HIS  15 -11.998  14.963  15.512
  122    HA   HIS  15           HA       HIS  15 -12.081  13.544  18.101
  123   1HB   HIS  15          1HB       HIS  15 -10.341  15.779  17.019
  124   2HB   HIS  15          2HB       HIS  15 -10.169  15.099  18.633
  125    HD1  HIS  15           HD1      HIS  15 -10.005  14.053  14.987
  126    HD2  HIS  15           HD2      HIS  15  -8.685  12.764  18.730
  127    HE1  HIS  15           HE1      HIS  15  -8.402  12.123  14.572
  128    H    GLY  16           H        GLY  16 -13.342  16.385  16.656
  129   1HA   GLY  16          2HA       GLY  16 -14.674  17.172  19.142
  130   2HA   GLY  16          1HA       GLY  16 -14.851  17.962  17.572
  131    H    LEU  17           H        LEU  17 -12.283  18.585  16.910
  132    HA   LEU  17           HA       LEU  17 -11.132  20.148  19.215
  133   1HB   LEU  17          1HB       LEU  17 -10.016  18.726  16.899
  134   2HB   LEU  17          2HB       LEU  17  -9.368  20.355  17.083
  135    HG   LEU  17           HG       LEU  17  -9.454  18.219  19.227
  136   1HD1  LEU  17          1HD1      LEU  17  -7.736  17.903  17.462
  137   2HD1  LEU  17          2HD1      LEU  17  -7.117  19.504  17.808
  138   3HD1  LEU  17          3HD1      LEU  17  -7.026  18.250  19.028
  139   1HD2  LEU  17          1HD2      LEU  17  -9.055  21.148  19.300
  140   2HD2  LEU  17          2HD2      LEU  17  -9.503  20.051  20.593
  141   3HD2  LEU  17          3HD2      LEU  17  -7.819  20.218  20.139
  142    H    ASP  18           H        ASP  18 -12.474  20.409  15.966
  143    HA   ASP  18           HA       ASP  18 -11.759  23.061  15.321
  144   1HB   ASP  18          1HB       ASP  18 -13.119  21.183  14.003
  145   2HB   ASP  18          2HB       ASP  18 -14.501  22.074  14.623
  146    H    ASN  19           H        ASN  19 -12.075  24.769  16.606
  147    HA   ASN  19           HA       ASN  19 -13.235  26.451  17.781
  148   1HB   ASN  19          1HB       ASN  19 -15.755  24.786  17.571
  149   2HB   ASN  19          2HB       ASN  19 -15.606  26.532  17.741
  150   1HD2  ASN  19          2HD2      ASN  19 -15.549  23.889  15.440
  151   2HD2  ASN  19          1HD2      ASN  19 -15.416  24.861  14.055
  152    H    TYR  20           H        TYR  20 -12.391  23.547  18.771
  153    HA   TYR  20           HA       TYR  20 -13.877  22.983  21.126
  154   1HB   TYR  20          1HB       TYR  20 -11.996  21.614  20.060
  155   2HB   TYR  20          2HB       TYR  20 -10.870  22.699  20.862
  156    HD1  TYR  20           HD1      TYR  20 -14.057  20.937  21.829
  157    HD2  TYR  20           HD2      TYR  20  -9.961  21.800  22.793
  158    HE1  TYR  20           HE1      TYR  20 -14.259  19.607  23.914
  159    HE2  TYR  20           HE2      TYR  20 -10.170  20.475  24.874
  160    HH   TYR  20           HH       TYR  20 -12.472  18.307  25.448
  161    H    ARG  21           H        ARG  21 -14.275  24.396  22.760
  162    HA   ARG  21           HA       ARG  21 -13.987  26.172  24.213
  163   1HB   ARG  21          1HB       ARG  21 -11.053  25.504  23.883
  164   2HB   ARG  21          2HB       ARG  21 -11.745  26.476  25.183
  165   1HG   ARG  21          1HG       ARG  21 -13.261  24.102  25.148
  166   2HG   ARG  21          2HG       ARG  21 -11.589  23.582  24.951
  167   1HD   ARG  21          1HD       ARG  21 -11.438  25.549  26.909
  168   2HD   ARG  21          2HD       ARG  21 -12.925  24.693  27.307
  169    HE   ARG  21           HE       ARG  21 -10.320  23.729  27.840
  170   1HH1  ARG  21          1HH1      ARG  21  -9.769  21.598  28.039
  171   2HH1  ARG  21          2HH1      ARG  21 -10.798  20.384  27.328
  172   1HH2  ARG  21          1HH2      ARG  21 -13.175  22.622  26.241
  173   2HH2  ARG  21          2HH2      ARG  21 -12.721  20.953  26.362
  174    H    GLY  22           H        GLY  22 -13.712  26.450  21.161
  175   1HA   GLY  22          2HA       GLY  22 -12.782  29.293  21.227
  176   2HA   GLY  22          1HA       GLY  22 -13.901  28.619  20.043
  177    H    TYR  23           H        TYR  23 -10.984  26.956  21.026
  178    HA   TYR  23           HA       TYR  23  -9.190  27.932  19.070
  179   1HB   TYR  23          1HB       TYR  23  -9.420  25.342  20.573
  180   2HB   TYR  23          2HB       TYR  23  -8.195  25.537  19.324
  181    HD1  TYR  23           HD1      TYR  23  -6.559  27.439  19.474
  182    HD2  TYR  23           HD2      TYR  23  -9.160  26.371  22.716
  183    HE1  TYR  23           HE1      TYR  23  -5.118  28.701  21.044
  184    HE2  TYR  23           HE2      TYR  23  -7.713  27.628  24.289
  185    HH   TYR  23           HH       TYR  23  -5.887  29.825  23.738
  186    H    SER  24           H        SER  24 -10.475  28.186  17.149
  187    HA   SER  24           HA       SER  24 -11.753  26.011  15.767
  188   1HB   SER  24          1HB       SER  24 -12.124  27.534  14.066
  189   2HB   SER  24          2HB       SER  24 -11.857  28.626  15.422
  190    HG   SER  24           HG       SER  24 -10.578  29.200  13.616
  191    H    LEU  25           H        LEU  25 -11.006  24.929  13.790
  192    HA   LEU  25           HA       LEU  25  -8.488  23.703  13.924
  193   1HB   LEU  25          1HB       LEU  25 -10.584  24.007  11.903
  194   2HB   LEU  25          2HB       LEU  25  -8.983  23.863  11.187
  195    HG   LEU  25           HG       LEU  25  -9.740  21.987  13.388
  196   1HD1  LEU  25          1HD1      LEU  25 -11.625  21.956  11.807
  197   2HD1  LEU  25          2HD1      LEU  25 -10.531  21.625  10.515
  198   3HD1  LEU  25          3HD1      LEU  25 -10.757  20.456  11.771
  199   1HD2  LEU  25          1HD2      LEU  25  -7.874  22.096  11.082
  200   2HD2  LEU  25          2HD2      LEU  25  -7.562  21.624  12.726
  201   3HD2  LEU  25          3HD2      LEU  25  -8.384  20.527  11.651
  202    H    GLY  26           H        GLY  26  -9.353  26.803  12.477
  203   1HA   GLY  26          2HA       GLY  26  -7.984  28.586  11.755
  204   2HA   GLY  26          1HA       GLY  26  -7.023  27.340  10.959
  205    H    ASN  27           H        ASN  27  -7.629  27.795  14.406
  206    HA   ASN  27           HA       ASN  27  -5.045  28.925  15.036
  207   1HB   ASN  27          1HB       ASN  27  -7.107  27.473  16.722
  208   2HB   ASN  27          2HB       ASN  27  -5.686  28.286  17.383
  209   1HD2  ASN  27          2HD2      ASN  27  -8.792  28.814  15.764
  210   2HD2  ASN  27          1HD2      ASN  27  -8.835  30.489  16.042
  211    H    TRP  28           H        TRP  28  -6.473  25.694  15.336
  212    HA   TRP  28           HA       TRP  28  -4.139  24.382  16.335
  213   1HB   TRP  28          1HB       TRP  28  -6.440  23.285  14.690
  214   2HB   TRP  28          2HB       TRP  28  -5.253  22.298  15.538
  215    HD1  TRP  28           HD1      TRP  28  -8.579  23.550  16.012
  216    HE1  TRP  28           HE1      TRP  28  -9.210  23.675  18.498
  217    HE3  TRP  28           HE3      TRP  28  -3.952  23.160  18.120
  218    HZ2  TRP  28           HZ2      TRP  28  -7.933  23.626  21.043
  219    HZ3  TRP  28           HZ3      TRP  28  -3.684  23.214  20.582
  220    HH2  TRP  28           HH2      TRP  28  -5.669  23.450  22.047
  221    H    VAL  29           H        VAL  29  -5.402  24.659  12.970
  222    HA   VAL  29           HA       VAL  29  -3.218  23.212  11.797
  223    HB   VAL  29           HB       VAL  29  -4.982  25.356  10.579
  224   1HG1  VAL  29          1HG1      VAL  29  -2.734  24.789   9.430
  225   2HG1  VAL  29          2HG1      VAL  29  -3.445  23.207   9.115
  226   3HG1  VAL  29          3HG1      VAL  29  -4.190  24.656   8.450
  227   1HG2  VAL  29          1HG2      VAL  29  -5.863  23.019  11.523
  228   2HG2  VAL  29          2HG2      VAL  29  -6.479  23.684  10.025
  229   3HG2  VAL  29          3HG2      VAL  29  -5.246  22.441   9.990
  230    H    CYS  30           H        CYS  30  -3.739  26.767  12.000
  231    HA   CYS  30           HA       CYS  30  -1.275  27.608  10.953
  232   1HB   CYS  30          1HB       CYS  30  -3.035  29.178  11.654
  233   2HB   CYS  30          2HB       CYS  30  -2.758  28.749  13.336
  234    H    ALA  31           H        ALA  31  -1.995  26.820  14.369
  235    HA   ALA  31           HA       ALA  31   0.631  27.157  15.393
  236   1HB   ALA  31          1HB       ALA  31  -1.461  26.867  16.752
  237   2HB   ALA  31          3HB       ALA  31  -0.149  25.824  17.280
  238   3HB   ALA  31          2HB       ALA  31  -1.466  25.167  16.315
  239    H    ALA  32           H        ALA  32  -1.013  24.092  14.600
  240    HA   ALA  32           HA       ALA  32   1.278  22.449  14.824
  241   1HB   ALA  32          2HB       ALA  32  -0.860  21.792  12.979
  242   2HB   ALA  32          1HB       ALA  32  -1.197  21.824  14.432
  243   3HB   ALA  32          3HB       ALA  32  -0.169  20.867  13.925
  244    H    LYS  33           H        LYS  33  -0.009  24.271  12.069
  245    HA   LYS  33           HA       LYS  33   1.507  23.225   9.970
  246   1HB   LYS  33          1HB       LYS  33  -0.111  24.921   9.497
  247   2HB   LYS  33          2HB       LYS  33   0.706  26.083  10.528
  248   1HG   LYS  33          1HG       LYS  33   1.160  26.498   8.122
  249   2HG   LYS  33          2HG       LYS  33   2.625  26.126   9.013
  250   1HD   LYS  33          1HD       LYS  33   2.624  23.859   8.215
  251   2HD   LYS  33          2HD       LYS  33   1.045  24.063   7.490
  252   1HE   LYS  33          1HE       LYS  33   1.890  25.587   5.848
  253   2HE   LYS  33          2HE       LYS  33   3.442  25.698   6.674
  254   1HZ   LYS  33          1HZ       LYS  33   3.564  23.182   6.310
  255   2HZ   LYS  33          2HZ       LYS  33   2.326  23.423   5.181
  256   3HZ   LYS  33          3HZ       LYS  33   3.807  24.178   4.973
  257    H    PHE  34           H        PHE  34   2.547  26.223  11.657
  258    HA   PHE  34           HA       PHE  34   5.244  25.862  10.654
  259   1HB   PHE  34          1HB       PHE  34   4.101  27.758  12.726
  260   2HB   PHE  34          2HB       PHE  34   5.782  27.793  12.204
  261    HD1  PHE  34           HD1      PHE  34   2.843  29.447  11.740
  262    HD2  PHE  34           HD2      PHE  34   5.839  27.446   9.397
  263    HE1  PHE  34           HE1      PHE  34   2.187  30.784   9.759
  264    HE2  PHE  34           HE2      PHE  34   5.179  28.783   7.414
  265    HZ   PHE  34           HZ       PHE  34   3.352  30.452   7.594
  266    H    GLU  35           H        GLU  35   3.641  24.767  13.572
  267    HA   GLU  35           HA       GLU  35   6.064  24.475  15.127
  268   1HB   GLU  35          1HB       GLU  35   3.323  23.211  15.385
  269   2HB   GLU  35          2HB       GLU  35   4.624  22.937  16.538
  270   1HG   GLU  35          1HG       GLU  35   3.966  25.771  15.843
  271   2HG   GLU  35          2HG       GLU  35   2.839  24.916  16.878
  272    H    SER  36           H        SER  36   4.005  21.930  13.578
  273    HA   SER  36           HA       SER  36   6.545  20.387  13.126
  274   1HB   SER  36          1HB       SER  36   5.423  18.349  13.724
  275   2HB   SER  36          2HB       SER  36   5.100  19.504  15.016
  276    HG   SER  36           HG       SER  36   3.080  19.086  14.601
  277    H    ASN  37           H        ASN  37   3.994  21.911  11.673
  278    HA   ASN  37           HA       ASN  37   3.083  21.817   9.526
  279   1HB   ASN  37          1HB       ASN  37   5.625  21.555   9.047
  280   2HB   ASN  37          2HB       ASN  37   5.246  19.864   8.757
  281   1HD2  ASN  37          2HD2      ASN  37   4.370  19.369   6.742
  282   2HD2  ASN  37          1HD2      ASN  37   3.878  20.501   5.589
  283    H    PHE  38           H        PHE  38   1.899  20.187  11.386
  284    HA   PHE  38           HA       PHE  38   0.564  18.258  11.693
  285   1HB   PHE  38          1HB       PHE  38   0.431  17.968   8.694
  286   2HB   PHE  38          2HB       PHE  38  -0.855  17.792   9.886
  287    HD1  PHE  38           HD1      PHE  38  -0.662  20.235  11.453
  288    HD2  PHE  38           HD2      PHE  38  -0.231  19.655   7.225
  289    HE1  PHE  38           HE1      PHE  38  -1.301  22.587  11.059
  290    HE2  PHE  38           HE2      PHE  38  -0.880  22.016   6.835
  291    HZ   PHE  38           HZ       PHE  38  -1.409  23.482   8.761
  292    H    ASN  39           H        ASN  39   2.877  17.362  12.245
  293    HA   ASN  39           HA       ASN  39   3.232  14.864  10.635
  294   1HB   ASN  39          1HB       ASN  39   4.939  16.819  10.190
  295   2HB   ASN  39          2HB       ASN  39   5.617  16.334  11.738
  296   1HD2  ASN  39          2HD2      ASN  39   5.637  15.623   8.404
  297   2HD2  ASN  39          1HD2      ASN  39   6.402  14.110   8.495
  298    H    THR  40           H        THR  40   3.423  13.037  11.943
  299    HA   THR  40           HA       THR  40   3.452  13.479  14.884
  300    HB   THR  40           HB       THR  40   2.701  11.227  15.118
  301    HG1  THR  40           HG1      THR  40   3.600   9.798  13.946
  302   1HG2  THR  40          1HG2      THR  40   1.420  12.744  13.121
  303   2HG2  THR  40          2HG2      THR  40   1.192  11.327  12.856
  304   3HG2  THR  40          3HG2      THR  40   0.788  11.903  14.133
  305    H    GLN  41           H        GLN  41   5.901  13.894  13.182
  306    HA   GLN  41           HA       GLN  41   7.732  12.117  14.758
  307   1HB   GLN  41          1HB       GLN  41   7.782  12.545  11.749
  308   2HB   GLN  41          2HB       GLN  41   9.158  11.927  12.652
  309   1HG   GLN  41          1HG       GLN  41   8.163   9.896  13.045
  310   2HG   GLN  41          2HG       GLN  41   6.551  10.587  13.137
  311   1HE2  GLN  41          2HE2      GLN  41   9.063   9.541  10.842
  312   2HE2  GLN  41          1HE2      GLN  41   8.017   9.392   9.517
  313    H    ALA  42           H        ALA  42   7.236  15.102  12.924
  314    HA   ALA  42           HA       ALA  42   9.783  16.280  13.164
  315   1HB   ALA  42          2HB       ALA  42   7.819  18.284  13.674
  316   2HB   ALA  42          1HB       ALA  42   7.171  17.199  12.537
  317   3HB   ALA  42          3HB       ALA  42   8.648  17.980  12.220
  318    H    THR  43           H        THR  43  10.812  15.850  15.097
  319    HA   THR  43           HA       THR  43   9.497  16.619  17.631
  320    HB   THR  43           HB       THR  43  11.806  15.579  18.454
  321    HG1  THR  43           HG1      THR  43  12.697  14.305  16.964
  322   1HG2  THR  43          1HG2      THR  43   9.576  14.691  18.785
  323   2HG2  THR  43          2HG2      THR  43   9.676  13.875  17.396
  324   3HG2  THR  43          3HG2      THR  43  10.654  13.468  18.627
  325    H    ASN  44           H        ASN  44  10.423  18.072  19.080
  326    HA   ASN  44           HA       ASN  44  12.513  19.894  17.926
  327   1HB   ASN  44          1HB       ASN  44   9.895  20.448  18.990
  328   2HB   ASN  44          2HB       ASN  44  11.108  21.194  20.027
  329   1HD2  ASN  44          2HD2      ASN  44   9.429  21.506  17.086
  330   2HD2  ASN  44          1HD2      ASN  44  10.356  22.769  16.430
  331    H    ARG  45           H        ARG  45  13.671  21.099  19.875
  332    HA   ARG  45           HA       ARG  45  13.996  19.224  22.233
  333   1HB   ARG  45          1HB       ARG  45  15.806  18.631  20.760
  334   2HB   ARG  45          2HB       ARG  45  16.191  20.317  20.433
  335   1HG   ARG  45          1HG       ARG  45  17.804  19.851  22.027
  336   2HG   ARG  45          2HG       ARG  45  16.506  20.394  23.084
  337   1HD   ARG  45          1HD       ARG  45  17.357  18.317  23.973
  338   2HD   ARG  45          2HD       ARG  45  15.771  17.993  23.284
  339    HE   ARG  45           HE       ARG  45  17.608  17.526  21.222
  340   1HH1  ARG  45          1HH1      ARG  45  18.499  15.520  20.824
  341   2HH1  ARG  45          2HH1      ARG  45  18.495  14.322  22.066
  342   1HH2  ARG  45          1HH2      ARG  45  16.969  16.364  24.367
  343   2HH2  ARG  45          2HH2      ARG  45  17.649  14.807  24.076
  344    H    ASN  46           H        ASN  46  14.082  20.306  24.151
  345    HA   ASN  46           HA       ASN  46  14.239  23.288  24.139
  346   1HB   ASN  46          1HB       ASN  46  13.570  21.667  26.565
  347   2HB   ASN  46          2HB       ASN  46  12.954  23.239  26.074
  348   1HD2  ASN  46          2HD2      ASN  46  11.242  23.265  24.419
  349   2HD2  ASN  46          1HD2      ASN  46  10.343  21.861  24.078
  350    H    THR  47           H        THR  47  15.983  24.273  25.050
  351    HA   THR  47           HA       THR  47  18.353  22.822  25.732
  352    HB   THR  47           HB       THR  47  19.251  25.038  26.386
  353    HG1  THR  47           HG1      THR  47  17.920  26.633  26.758
  354   1HG2  THR  47          1HG2      THR  47  17.879  24.523  23.830
  355   2HG2  THR  47          2HG2      THR  47  18.290  26.158  24.121
  356   3HG2  THR  47          3HG2      THR  47  19.507  24.958  24.121
  357    H    ASP  48           H        ASP  48  15.901  24.427  27.768
  358    HA   ASP  48           HA       ASP  48  17.061  24.389  30.265
  359   1HB   ASP  48          1HB       ASP  48  14.847  24.116  31.202
  360   2HB   ASP  48          2HB       ASP  48  14.686  25.033  29.728
  361    H    GLY  49           H        GLY  49  15.926  21.593  28.452
  362   1HA   GLY  49          2HA       GLY  49  16.858  19.792  30.653
  363   2HA   GLY  49          1HA       GLY  49  17.417  19.543  29.000
  364    H    SER  50           H        SER  50  14.861  20.234  27.789
  365    HA   SER  50           HA       SER  50  13.408  17.709  28.411
  366   1HB   SER  50          1HB       SER  50  11.257  18.841  28.384
  367   2HB   SER  50          2HB       SER  50  12.285  19.624  29.572
  368    HG   SER  50           HG       SER  50  12.526  21.331  28.250
  369    H    THR  51           H        THR  51  11.672  17.386  26.588
  370    HA   THR  51           HA       THR  51  12.616  18.468  24.002
  371    HB   THR  51           HB       THR  51  12.254  15.523  24.605
  372    HG1  THR  51           HG1      THR  51  14.323  17.198  24.851
  373   1HG2  THR  51          1HG2      THR  51  11.659  16.373  22.264
  374   2HG2  THR  51          2HG2      THR  51  13.351  16.772  22.096
  375   3HG2  THR  51          3HG2      THR  51  12.866  15.113  22.345
  376    H    ASP  52           H        ASP  52  10.987  18.369  22.378
  377    HA   ASP  52           HA       ASP  52   8.264  17.993  23.488
  378   1HB   ASP  52          1HB       ASP  52   8.801  19.534  20.975
  379   2HB   ASP  52          2HB       ASP  52   7.478  19.708  22.120
  380    H    TYR  53           H        TYR  53   7.102  16.407  22.749
  381    HA   TYR  53           HA       TYR  53   7.672  15.273  20.044
  382   1HB   TYR  53          1HB       TYR  53   6.541  13.634  22.315
  383   2HB   TYR  53          2HB       TYR  53   7.319  13.073  20.842
  384    HD1  TYR  53           HD1      TYR  53   9.598  12.497  20.868
  385    HD2  TYR  53           HD2      TYR  53   8.026  14.991  23.988
  386    HE1  TYR  53           HE1      TYR  53  11.750  12.322  22.092
  387    HE2  TYR  53           HE2      TYR  53  10.179  14.821  25.205
  388    HH   TYR  53           HH       TYR  53  12.057  13.370  25.364
  389    H    GLY  54           H        GLY  54   5.723  14.454  19.010
  390   1HA   GLY  54          2HA       GLY  54   3.158  15.435  20.175
  391   2HA   GLY  54          1HA       GLY  54   3.279  14.137  18.993
  392    H    ILE  55           H        ILE  55   1.989  15.064  17.395
  393    HA   ILE  55           HA       ILE  55   3.048  16.669  15.410
  394    HB   ILE  55           HB       ILE  55   0.926  15.466  15.187
  395   1HG1  ILE  55          1HG1      ILE  55   0.491  18.430  14.741
  396   2HG1  ILE  55          2HG1      ILE  55   1.466  17.418  13.689
  397   1HG2  ILE  55          1HG2      ILE  55   0.198  16.358  17.563
  398   2HG2  ILE  55          2HG2      ILE  55  -0.509  17.674  16.625
  399   3HG2  ILE  55          3HG2      ILE  55  -1.019  16.012  16.338
  400   1HD1  ILE  55          1HD1      ILE  55  -0.526  16.055  13.309
  401   2HD1  ILE  55          2HD1      ILE  55  -1.411  17.002  14.227
  402   3HD1  ILE  55          3HD1      ILE  55  -0.827  17.549  12.852
  403    H    LEU  56           H        LEU  56   1.037  17.959  18.108
  404    HA   LEU  56           HA       LEU  56   1.525  20.712  17.217
  405   1HB   LEU  56          1HB       LEU  56  -0.237  19.342  19.057
  406   2HB   LEU  56          2HB       LEU  56   0.496  20.739  19.845
  407    HG   LEU  56           HG       LEU  56  -0.640  20.983  17.067
  408   1HD1  LEU  56          1HD1      LEU  56  -2.326  19.996  18.728
  409   2HD1  LEU  56          2HD1      LEU  56  -2.224  21.521  19.572
  410   3HD1  LEU  56          3HD1      LEU  56  -2.796  21.473  17.923
  411   1HD2  LEU  56          1HD2      LEU  56   0.736  22.748  18.444
  412   2HD2  LEU  56          2HD2      LEU  56  -0.503  23.239  17.562
  413   3HD2  LEU  56          3HD2      LEU  56  -0.668  23.061  19.141
  414    H    GLN  57           H        GLN  57   3.627  18.664  18.579
  415    HA   GLN  57           HA       GLN  57   5.604  18.959  19.811
  416   1HB   GLN  57          1HB       GLN  57   5.038  21.940  19.783
  417   2HB   GLN  57          2HB       GLN  57   6.601  21.134  19.902
  418   1HG   GLN  57          1HG       GLN  57   4.787  20.946  17.476
  419   2HG   GLN  57          2HG       GLN  57   6.116  22.094  17.625
  420   1HE2  GLN  57          2HE2      GLN  57   5.428  18.578  17.683
  421   2HE2  GLN  57          1HE2      GLN  57   6.963  18.120  17.109
  422    H    ILE  58           H        ILE  58   5.245  18.141  21.839
  423    HA   ILE  58           HA       ILE  58   3.972  19.963  23.854
  424    HB   ILE  58           HB       ILE  58   3.359  17.174  23.116
  425   1HG1  ILE  58          1HG1      ILE  58   1.827  19.114  24.855
  426   2HG1  ILE  58          2HG1      ILE  58   1.829  19.215  23.099
  427   1HG2  ILE  58          1HG2      ILE  58   3.878  17.933  25.976
  428   2HG2  ILE  58          2HG2      ILE  58   2.723  16.722  25.564
  429   3HG2  ILE  58          3HG2      ILE  58   4.377  16.522  25.126
  430   1HD1  ILE  58          1HD1      ILE  58   1.133  16.738  23.142
  431   2HD1  ILE  58          2HD1      ILE  58   0.783  16.990  24.829
  432   3HD1  ILE  58          3HD1      ILE  58  -0.071  17.905  23.617
  433    H    ASN  59           H        ASN  59   5.373  20.460  25.459
  434    HA   ASN  59           HA       ASN  59   8.045  19.404  25.533
  435   1HB   ASN  59          1HB       ASN  59   7.349  21.690  26.295
  436   2HB   ASN  59          2HB       ASN  59   6.631  20.951  27.727
  437   1HD2  ASN  59          2HD2      ASN  59   9.760  20.944  25.926
  438   2HD2  ASN  59          1HD2      ASN  59  10.733  20.827  27.331
  439    H    SER  60           H        SER  60   8.998  17.903  26.876
  440    HA   SER  60           HA       SER  60   7.231  15.960  28.181
  441   1HB   SER  60          1HB       SER  60   9.320  14.662  28.467
  442   2HB   SER  60          2HB       SER  60   9.080  15.174  26.802
  443    HG   SER  60           HG       SER  60  11.183  15.595  28.282
  444    H    ARG  61           H        ARG  61   8.025  18.781  29.343
  445    HA   ARG  61           HA       ARG  61   8.930  17.793  32.049
  446   1HB   ARG  61          1HB       ARG  61  10.406  19.447  30.818
  447   2HB   ARG  61          2HB       ARG  61   9.105  20.617  30.976
  448   1HG   ARG  61          1HG       ARG  61  10.055  21.144  32.961
  449   2HG   ARG  61          2HG       ARG  61   9.329  19.647  33.549
  450   1HD   ARG  61          1HD       ARG  61  11.645  19.498  34.109
  451   2HD   ARG  61          2HD       ARG  61  11.429  18.463  32.700
  452    HE   ARG  61           HE       ARG  61  12.109  21.004  31.688
  453   1HH1  ARG  61          1HH1      ARG  61  14.185  21.587  31.215
  454   2HH1  ARG  61          2HH1      ARG  61  15.511  20.757  31.998
  455   1HH2  ARG  61          1HH2      ARG  61  13.432  18.596  33.748
  456   2HH2  ARG  61          2HH2      ARG  61  15.075  19.036  33.411
  457    H    TRP  62           H        TRP  62   6.786  20.213  30.479
  458    HA   TRP  62           HA       TRP  62   5.194  20.232  33.010
  459   1HB   TRP  62          1HB       TRP  62   4.664  22.268  30.909
  460   2HB   TRP  62          2HB       TRP  62   4.719  22.441  32.662
  461    HD1  TRP  62           HD1      TRP  62   7.214  21.706  29.810
  462    HE1  TRP  62           HE1      TRP  62   9.431  22.908  30.340
  463    HE3  TRP  62           HE3      TRP  62   6.030  23.763  34.318
  464    HZ2  TRP  62           HZ2      TRP  62  10.549  24.529  32.399
  465    HZ3  TRP  62           HZ3      TRP  62   7.688  25.137  35.547
  466    HH2  TRP  62           HH2      TRP  62   9.946  25.523  34.592
  467    H    TRP  63           H        TRP  63   4.944  19.640  29.541
  468    HA   TRP  63           HA       TRP  63   2.032  19.342  29.777
  469   1HB   TRP  63          1HB       TRP  63   3.943  19.111  27.456
  470   2HB   TRP  63          2HB       TRP  63   2.224  18.772  27.313
  471    HD1  TRP  63           HD1      TRP  63   4.013  21.235  26.000
  472    HE1  TRP  63           HE1      TRP  63   3.070  23.622  26.237
  473    HE3  TRP  63           HE3      TRP  63   0.787  20.576  29.951
  474    HZ2  TRP  63           HZ2      TRP  63   1.233  25.059  27.855
  475    HZ3  TRP  63           HZ3      TRP  63  -0.537  22.484  30.807
  476    HH2  TRP  63           HH2      TRP  63  -0.319  24.726  29.765
  477    H    CYS  64           H        CYS  64   4.696  17.196  28.607
  478    HA   CYS  64           HA       CYS  64   3.182  14.926  29.838
  479   1HB   CYS  64          1HB       CYS  64   3.492  13.574  27.845
  480   2HB   CYS  64          2HB       CYS  64   2.695  15.080  27.397
  481    H    ASN  65           H        ASN  65   4.732  12.805  29.380
  482    HA   ASN  65           HA       ASN  65   7.509  13.647  30.110
  483   1HB   ASN  65          1HB       ASN  65   6.119  12.843  32.083
  484   2HB   ASN  65          2HB       ASN  65   6.132  11.256  31.330
  485   1HD2  ASN  65          2HD2      ASN  65   7.445  12.329  33.886
  486   2HD2  ASN  65          1HD2      ASN  65   9.070  11.858  33.738
  487    H    ASP  66           H        ASP  66   9.164  12.023  29.614
  488    HA   ASP  66           HA       ASP  66   8.311  10.099  27.482
  489   1HB   ASP  66          1HB       ASP  66  10.527  10.594  26.398
  490   2HB   ASP  66          2HB       ASP  66   9.414  11.957  26.401
  491    H    GLY  67           H        GLY  67  10.080  10.640  30.377
  492   1HA   GLY  67          2HA       GLY  67  10.952   7.797  30.374
  493   2HA   GLY  67          1HA       GLY  67  10.758   8.801  31.805
  494    H    ARG  68           H        ARG  68  12.310  10.607  29.454
  495    HA   ARG  68           HA       ARG  68  14.992   9.880  30.598
  496   1HB   ARG  68          1HB       ARG  68  15.967  10.510  28.407
  497   2HB   ARG  68          2HB       ARG  68  14.860   9.174  28.257
  498   1HG   ARG  68          1HG       ARG  68  13.122  10.647  27.500
  499   2HG   ARG  68          2HG       ARG  68  14.131  12.026  27.757
  500   1HD   ARG  68          1HD       ARG  68  15.751  10.841  26.104
  501   2HD   ARG  68          2HD       ARG  68  14.323   9.943  25.644
  502    HE   ARG  68           HE       ARG  68  13.505  12.568  25.610
  503   1HH1  ARG  68          1HH1      ARG  68  13.605  13.843  23.826
  504   2HH1  ARG  68          2HH1      ARG  68  14.740  13.490  22.560
  505   1HH2  ARG  68          1HH2      ARG  68  15.924  10.700  24.107
  506   2HH2  ARG  68          2HH2      ARG  68  16.049  11.716  22.730
  507    H    THR  69           H        THR  69  12.808  12.441  29.609
  508    HA   THR  69           HA       THR  69  14.387  14.718  29.568
  509    HB   THR  69           HB       THR  69  11.719  14.290  30.917
  510    HG1  THR  69           HG1      THR  69  12.027  13.953  28.584
  511   1HG2  THR  69          1HG2      THR  69  13.339  16.766  30.474
  512   2HG2  THR  69          2HG2      THR  69  11.603  16.850  30.414
  513   3HG2  THR  69          3HG2      THR  69  12.402  16.311  31.865
  514    HA   PRO  70           HA       PRO  70  16.647  14.254  33.500
  515   1HB   PRO  70          1HB       PRO  70  17.578  16.943  33.302
  516   2HB   PRO  70          2HB       PRO  70  18.456  15.469  32.877
  517   1HG   PRO  70          1HG       PRO  70  17.043  17.378  31.150
  518   2HG   PRO  70          2HG       PRO  70  18.385  16.289  30.777
  519   1HD   PRO  70          1HD       PRO  70  15.856  15.847  29.883
  520   2HD   PRO  70          2HD       PRO  70  16.981  14.520  30.245
  521    H    GLY  71           H        GLY  71  14.507  14.244  34.582
  522   1HA   GLY  71          2HA       GLY  71  14.152  16.695  36.200
  523   2HA   GLY  71          1HA       GLY  71  13.395  15.131  36.512
  524    H    SER  72           H        SER  72  11.347  14.832  35.770
  525    HA   SER  72           HA       SER  72  10.152  17.003  34.106
  526   1HB   SER  72          1HB       SER  72  10.598  14.994  32.719
  527   2HB   SER  72          2HB       SER  72   9.627  14.033  33.822
  528    HG   SER  72           HG       SER  72   8.853  15.651  31.784
  529    H    ARG  73           H        ARG  73   7.870  17.295  34.511
  530    HA   ARG  73           HA       ARG  73   6.991  16.250  37.170
  531   1HB   ARG  73          1HB       ARG  73   7.127  18.890  36.144
  532   2HB   ARG  73          2HB       ARG  73   5.415  18.483  36.228
  533   1HG   ARG  73          1HG       ARG  73   7.260  17.900  38.541
  534   2HG   ARG  73          2HG       ARG  73   6.524  19.489  38.348
  535   1HD   ARG  73          1HD       ARG  73   4.302  18.204  38.094
  536   2HD   ARG  73          2HD       ARG  73   5.165  16.842  38.780
  537    HE   ARG  73           HE       ARG  73   5.690  18.904  40.533
  538   1HH1  ARG  73          1HH1      ARG  73   4.409  19.355  42.302
  539   2HH1  ARG  73          2HH1      ARG  73   2.753  18.882  42.305
  540   1HH2  ARG  73          1HH2      ARG  73   2.894  17.474  39.181
  541   2HH2  ARG  73          2HH2      ARG  73   1.898  17.819  40.543
  542    H    ASN  74           H        ASN  74   5.561  17.457  34.165
  543    HA   ASN  74           HA       ASN  74   4.043  16.377  32.689
  544   1HB   ASN  74          1HB       ASN  74   4.968  14.190  33.802
  545   2HB   ASN  74          2HB       ASN  74   3.462  14.230  34.712
  546   1HD2  ASN  74          2HD2      ASN  74   4.526  12.514  32.314
  547   2HD2  ASN  74          1HD2      ASN  74   3.225  12.524  31.226
  548    H    LEU  75           H        LEU  75   2.323  17.712  32.640
  549    HA   LEU  75           HA       LEU  75   0.486  17.791  34.994
  550   1HB   LEU  75          1HB       LEU  75   1.028  19.725  32.734
  551   2HB   LEU  75          2HB       LEU  75  -0.424  19.849  33.715
  552    HG   LEU  75           HG       LEU  75   0.784  20.356  35.668
  553   1HD1  LEU  75          1HD1      LEU  75   3.193  19.224  34.232
  554   2HD1  LEU  75          2HD1      LEU  75   3.311  20.136  35.730
  555   3HD1  LEU  75          3HD1      LEU  75   2.433  18.616  35.697
  556   1HD2  LEU  75          1HD2      LEU  75   2.349  21.552  33.369
  557   2HD2  LEU  75          2HD2      LEU  75   0.866  22.200  34.049
  558   3HD2  LEU  75          3HD2      LEU  75   2.333  22.169  35.014
  559    H    CYS  76           H        CYS  76   0.876  16.633  31.830
  560    HA   CYS  76           HA       CYS  76  -2.043  16.436  31.301
  561   1HB   CYS  76          1HB       CYS  76  -0.251  17.028  29.534
  562   2HB   CYS  76          2HB       CYS  76   0.191  15.324  29.595
  563    H    ASN  77           H        ASN  77   0.484  14.706  32.757
  564    HA   ASN  77           HA       ASN  77   0.726  12.498  33.503
  565   1HB   ASN  77          1HB       ASN  77  -1.473  13.173  34.598
  566   2HB   ASN  77          2HB       ASN  77  -2.296  12.359  33.271
  567   1HD2  ASN  77          2HD2      ASN  77  -1.223   9.993  32.894
  568   2HD2  ASN  77          1HD2      ASN  77  -1.041   9.088  34.323
  569    H    ILE  78           H        ILE  78   1.317  12.678  30.878
  570    HA   ILE  78           HA       ILE  78   0.236  10.135  29.830
  571    HB   ILE  78           HB       ILE  78  -0.621  12.680  28.923
  572   1HG1  ILE  78          1HG1      ILE  78  -1.008   9.969  27.762
  573   2HG1  ILE  78          2HG1      ILE  78  -1.936  10.652  29.003
  574   1HG2  ILE  78          1HG2      ILE  78   1.385  12.753  27.526
  575   2HG2  ILE  78          2HG2      ILE  78   0.966  11.209  26.840
  576   3HG2  ILE  78          3HG2      ILE  78  -0.069  12.596  26.561
  577   1HD1  ILE  78          1HD1      ILE  78  -1.794  11.887  26.425
  578   2HD1  ILE  78          2HD1      ILE  78  -2.893  10.853  26.708
  579   3HD1  ILE  78          3HD1      ILE  78  -2.827  12.157  27.502
  580    HA   PRO  79           HA       PRO  79   4.397   9.646  28.380
  581   1HB   PRO  79          1HB       PRO  79   3.983   7.704  26.491
  582   2HB   PRO  79          2HB       PRO  79   3.920   7.401  28.227
  583   1HG   PRO  79          1HG       PRO  79   1.750   7.582  26.298
  584   2HG   PRO  79          2HG       PRO  79   1.819   6.741  27.819
  585   1HD   PRO  79          1HD       PRO  79   0.538   9.179  27.314
  586   2HD   PRO  79          2HD       PRO  79   0.796   8.434  28.884
  587    H    CYS  80           H        CYS  80   5.370  11.175  27.185
  588    HA   CYS  80           HA       CYS  80   4.316  12.660  25.069
  589   1HB   CYS  80          1HB       CYS  80   7.229  11.957  25.435
  590   2HB   CYS  80          2HB       CYS  80   6.591  13.350  24.570
  591    H    SER  81           H        SER  81   6.454   9.863  24.574
  592    HA   SER  81           HA       SER  81   6.658   9.864  21.834
  593   1HB   SER  81          1HB       SER  81   6.202   7.303  23.339
  594   2HB   SER  81          2HB       SER  81   7.234   7.573  21.976
  595    HG   SER  81           HG       SER  81   8.463   7.572  23.845
  596    H    ALA  82           H        ALA  82   3.946   8.646  23.780
  597    HA   ALA  82           HA       ALA  82   2.424   7.449  21.707
  598   1HB   ALA  82          3HB       ALA  82   1.568   8.012  24.048
  599   2HB   ALA  82          2HB       ALA  82   1.161   7.650  23.660
  600   3HB   ALA  82          1HB       ALA  82   1.058   8.307  23.731
  601    H    LEU  83           H        LEU  83   3.017  10.804  22.391
  602    HA   LEU  83           HA       LEU  83   0.709  11.898  21.015
  603   1HB   LEU  83          1HB       LEU  83   3.471  13.106  21.404
  604   2HB   LEU  83          2HB       LEU  83   2.003  13.987  20.989
  605    HG   LEU  83           HG       LEU  83   2.269  12.343  23.513
  606   1HD1  LEU  83          1HD1      LEU  83   2.755  15.299  23.065
  607   2HD1  LEU  83          2HD1      LEU  83   2.642  14.531  24.643
  608   3HD1  LEU  83          3HD1      LEU  83   3.957  14.114  23.552
  609   1HD2  LEU  83          1HD2      LEU  83   0.042  13.248  22.390
  610   2HD2  LEU  83          2HD2      LEU  83   0.211  13.250  24.043
  611   3HD2  LEU  83          3HD2      LEU  83   0.467  14.646  23.180
  612    H    LEU  84           H        LEU  84   3.386  10.141  19.865
  613    HA   LEU  84           HA       LEU  84   3.343  11.549  17.310
  614   1HB   LEU  84          1HB       LEU  84   5.163   9.325  18.214
  615   2HB   LEU  84          2HB       LEU  84   5.356  10.244  16.739
  616    HG   LEU  84           HG       LEU  84   5.269  11.607  19.406
  617   1HD1  LEU  84          1HD1      LEU  84   7.573  10.260  18.146
  618   2HD1  LEU  84          2HD1      LEU  84   7.802  11.472  19.130
  619   3HD1  LEU  84          3HD1      LEU  84   7.079  10.164  19.642
  620   1HD2  LEU  84          1HD2      LEU  84   5.058  12.930  17.356
  621   2HD2  LEU  84          2HD2      LEU  84   6.505  13.303  18.173
  622   3HD2  LEU  84          3HD2      LEU  84   6.548  12.313  16.791
  623    H    SER  85           H        SER  85   1.275   9.675  18.406
  624    HA   SER  85           HA       SER  85   1.222   7.219  17.039
  625   1HB   SER  85          1HB       SER  85  -0.502   7.693  18.643
  626   2HB   SER  85          2HB       SER  85  -1.056   9.091  17.728
  627    HG   SER  85           HG       SER  85  -1.655   6.457  17.415
  628    H    SER  86           H        SER  86  -0.554   6.895  15.270
  629    HA   SER  86           HA       SER  86   0.190   8.505  12.933
  630   1HB   SER  86          1HB       SER  86  -1.178   6.694  11.721
  631   2HB   SER  86          2HB       SER  86   0.312   6.142  12.465
  632    HG   SER  86           HG       SER  86  -2.331   5.646  13.153
  633    H    ASP  87           H        ASP  87  -1.967   8.147  15.405
  634    HA   ASP  87           HA       ASP  87  -4.073   9.630  13.876
  635   1HB   ASP  87          1HB       ASP  87  -4.723   7.380  14.893
  636   2HB   ASP  87          2HB       ASP  87  -4.526   8.140  16.469
  637    H    ILE  88           H        ILE  88  -4.386  11.717  14.458
  638    HA   ILE  88           HA       ILE  88  -2.789  13.032  16.412
  639    HB   ILE  88           HB       ILE  88  -4.291  14.946  16.106
  640   1HG1  ILE  88          1HG1      ILE  88  -6.072  13.031  14.596
  641   2HG1  ILE  88          2HG1      ILE  88  -6.397  13.604  16.211
  642   1HG2  ILE  88          1HG2      ILE  88  -3.502  13.353  13.739
  643   2HG2  ILE  88          2HG2      ILE  88  -4.378  14.767  13.481
  644   3HG2  ILE  88          3HG2      ILE  88  -2.889  14.830  14.258
  645   1HD1  ILE  88          1HD1      ILE  88  -6.052  15.392  13.829
  646   2HD1  ILE  88          2HD1      ILE  88  -7.595  14.908  14.463
  647   3HD1  ILE  88          3HD1      ILE  88  -6.523  15.882  15.423
  648    H    THR  89           H        THR  89  -5.489  11.006  16.764
  649    HA   THR  89           HA       THR  89  -6.919  11.913  18.963
  650    HB   THR  89           HB       THR  89  -5.904   9.091  18.541
  651    HG1  THR  89           HG1      THR  89  -7.079  10.068  16.786
  652   1HG2  THR  89          1HG2      THR  89  -6.926   9.625  20.788
  653   2HG2  THR  89          2HG2      THR  89  -8.332   9.961  20.026
  654   3HG2  THR  89          3HG2      THR  89  -7.711   8.453  19.966
  655    H    ALA  90           H        ALA  90  -3.661  10.397  19.076
  656    HA   ALA  90           HA       ALA  90  -3.419  10.306  21.913
  657   1HB   ALA  90          1HB       ALA  90  -1.306  10.765  19.807
  658   2HB   ALA  90          2HB       ALA  90  -0.959  10.441  21.466
  659   3HB   ALA  90          3HB       ALA  90  -1.755   9.251  20.503
  660    H    SER  91           H        SER  91  -1.794  12.747  19.917
  661    HA   SER  91           HA       SER  91  -1.397  14.621  21.956
  662   1HB   SER  91          1HB       SER  91  -1.684  14.991  18.975
  663   2HB   SER  91          2HB       SER  91  -1.184  16.283  20.064
  664    HG   SER  91           HG       SER  91   0.085  13.752  19.746
  665    H    VAL  92           H        VAL  92  -4.156  14.324  19.668
  666    HA   VAL  92           HA       VAL  92  -5.467  16.725  20.505
  667    HB   VAL  92           HB       VAL  92  -6.656  14.104  19.574
  668   1HG1  VAL  92          1HG1      VAL  92  -7.864  16.668  20.459
  669   2HG1  VAL  92          2HG1      VAL  92  -8.479  16.021  18.943
  670   3HG1  VAL  92          3HG1      VAL  92  -8.566  15.054  20.410
  671   1HG2  VAL  92          1HG2      VAL  92  -5.839  16.633  18.206
  672   2HG2  VAL  92          2HG2      VAL  92  -5.370  15.090  17.835
  673   3HG2  VAL  92          3HG2      VAL  92  -6.912  15.588  17.495
  674    H    ASN  93           H        ASN  93  -5.573  13.460  21.909
  675    HA   ASN  93           HA       ASN  93  -7.573  13.986  23.883
  676   1HB   ASN  93          1HB       ASN  93  -5.451  11.944  23.456
  677   2HB   ASN  93          2HB       ASN  93  -6.043  12.121  25.108
  678   1HD2  ASN  93          2HD2      ASN  93  -7.433  11.984  21.784
  679   2HD2  ASN  93          1HD2      ASN  93  -8.748  11.007  22.231
  680    H    CYS  94           H        CYS  94  -3.997  14.123  24.089
  681    HA   CYS  94           HA       CYS  94  -4.021  15.188  26.772
  682   1HB   CYS  94          1HB       CYS  94  -2.023  14.089  25.853
  683   2HB   CYS  94          2HB       CYS  94  -1.879  15.354  24.636
  684    H    ALA  95           H        ALA  95  -3.839  16.677  23.534
  685    HA   ALA  95           HA       ALA  95  -3.471  19.377  24.364
  686   1HB   ALA  95          2HB       ALA  95  -5.091  18.359  22.005
  687   2HB   ALA  95          1HB       ALA  95  -3.352  18.617  21.997
  688   3HB   ALA  95          3HB       ALA  95  -4.442  19.983  22.185
  689    H    LYS  96           H        LYS  96  -6.526  17.630  23.672
  690    HA   LYS  96           HA       LYS  96  -8.316  19.687  24.403
  691   1HB   LYS  96          1HB       LYS  96  -8.510  16.673  24.531
  692   2HB   LYS  96          2HB       LYS  96  -9.872  17.716  24.952
  693   1HG   LYS  96          1HG       LYS  96  -9.621  18.832  22.712
  694   2HG   LYS  96          2HG       LYS  96  -8.410  17.625  22.299
  695   1HD   LYS  96          1HD       LYS  96 -10.002  15.850  22.440
  696   2HD   LYS  96          2HD       LYS  96 -11.197  16.893  23.192
  697   1HE   LYS  96          1HE       LYS  96 -10.550  18.216  20.837
  698   2HE   LYS  96          2HE       LYS  96 -10.598  16.520  20.370
  699   1HZ   LYS  96          1HZ       LYS  96 -12.758  17.207  22.101
  700   2HZ   LYS  96          2HZ       LYS  96 -12.752  18.187  20.702
  701   3HZ   LYS  96          3HZ       LYS  96 -12.792  16.470  20.555
  702    H    LYS  97           H        LYS  97  -6.307  17.668  26.391
  703    HA   LYS  97           HA       LYS  97  -7.765  18.381  28.864
  704   1HB   LYS  97          1HB       LYS  97  -6.697  16.108  28.523
  705   2HB   LYS  97          2HB       LYS  97  -5.147  16.893  28.585
  706   1HG   LYS  97          1HG       LYS  97  -5.413  17.481  30.806
  707   2HG   LYS  97          2HG       LYS  97  -7.109  17.320  30.741
  708   1HD   LYS  97          1HD       LYS  97  -6.661  15.399  31.843
  709   2HD   LYS  97          2HD       LYS  97  -6.436  14.804  30.205
  710   1HE   LYS  97          1HE       LYS  97  -4.058  16.063  31.168
  711   2HE   LYS  97          2HE       LYS  97  -4.566  14.843  32.263
  712   1HZ   LYS  97          1HZ       LYS  97  -4.205  14.468  29.378
  713   2HZ   LYS  97          2HZ       LYS  97  -3.086  13.987  30.572
  714   3HZ   LYS  97          3HZ       LYS  97  -4.628  13.272  30.484
  715    H    ILE  98           H        ILE  98  -4.568  18.871  27.359
  716    HA   ILE  98           HA       ILE  98  -3.486  20.637  29.321
  717    HB   ILE  98           HB       ILE  98  -2.984  20.403  26.337
  718   1HG1  ILE  98          1HG1      ILE  98  -1.353  19.580  28.765
  719   2HG1  ILE  98          2HG1      ILE  98  -2.344  18.485  27.805
  720   1HG2  ILE  98          1HG2      ILE  98  -2.090  22.437  28.267
  721   2HG2  ILE  98          2HG2      ILE  98  -0.758  21.620  27.461
  722   3HG2  ILE  98          3HG2      ILE  98  -1.992  22.440  26.512
  723   1HD1  ILE  98          1HD1      ILE  98  -0.554  19.958  26.139
  724   2HD1  ILE  98          2HD1      ILE  98   0.271  19.174  27.269
  725   3HD1  ILE  98          3HD1      ILE  98  -0.688  18.367  26.271
  726    H    VAL  99           H        VAL  99  -5.394  21.386  26.338
  727    HA   VAL  99           HA       VAL  99  -5.295  24.242  26.758
  728    HB   VAL  99           HB       VAL  99  -5.891  23.035  24.595
  729   1HG1  VAL  99          1HG1      VAL  99  -7.775  21.769  26.091
  730   2HG1  VAL  99          2HG1      VAL  99  -8.742  23.054  25.378
  731   3HG1  VAL  99          3HG1      VAL  99  -7.868  21.933  24.342
  732   1HG2  VAL  99          1HG2      VAL  99  -7.756  25.186  25.564
  733   2HG2  VAL  99          2HG2      VAL  99  -6.247  25.437  24.870
  734   3HG2  VAL  99          3HG2      VAL  99  -7.499  24.796  23.951
  735    H    SER 100           H        SER 100  -5.858  23.151  29.233
  736    HA   SER 100           HA       SER 100  -8.431  24.465  29.832
  737   1HB   SER 100          1HB       SER 100  -8.127  21.638  30.811
  738   2HB   SER 100          2HB       SER 100  -9.589  22.602  30.666
  739    HG   SER 100           HG       SER 100  -8.040  21.388  28.627
  740    H    ASP 101           H        ASP 101  -5.494  24.621  30.453
  741    HA   ASP 101           HA       ASP 101  -5.368  24.091  33.362
  742   1HB   ASP 101          1HB       ASP 101  -3.022  24.866  33.093
  743   2HB   ASP 101          2HB       ASP 101  -3.410  23.615  31.913
  744    H    GLY 102           H        GLY 102  -4.883  26.823  31.178
  745   1HA   GLY 102          2HA       GLY 102  -5.046  28.818  33.301
  746   2HA   GLY 102          1HA       GLY 102  -6.475  28.785  32.259
  747    H    ASN 103           H        ASN 103  -3.247  27.941  31.179
  748    HA   ASN 103           HA       ASN 103  -2.865  30.557  29.851
  749   1HB   ASN 103          1HB       ASN 103  -1.162  28.047  29.777
  750   2HB   ASN 103          2HB       ASN 103  -0.694  29.636  29.170
  751   1HD2  ASN 103          2HD2      ASN 103  -1.009  27.667  32.019
  752   2HD2  ASN 103          1HD2      ASN 103  -0.420  28.824  33.117
  753    H    GLY 104           H        GLY 104  -3.880  27.283  29.158
  754   1HA   GLY 104          2HA       GLY 104  -5.068  27.975  26.660
  755   2HA   GLY 104          1HA       GLY 104  -4.731  26.328  27.193
  756    H    MET 105           H        MET 105  -4.130  28.336  24.711
  757    HA   MET 105           HA       MET 105  -1.619  26.909  24.046
  758   1HB   MET 105          1HB       MET 105  -3.593  28.508  22.418
  759   2HB   MET 105          2HB       MET 105  -2.035  28.012  21.763
  760   1HG   MET 105          1HG       MET 105  -2.853  25.660  22.768
  761   2HG   MET 105          2HG       MET 105  -4.397  26.351  22.430
  762   1HE   MET 105          1HE       MET 105  -1.440  24.614  21.203
  763   2HE   MET 105          2HE       MET 105  -1.160  25.095  19.641
  764   3HE   MET 105          3HE       MET 105  -0.906  26.188  20.899
  765    H    ASN 106           H        ASN 106  -2.254  29.720  25.636
  766    HA   ASN 106           HA       ASN 106  -0.582  31.601  24.236
  767   1HB   ASN 106          1HB       ASN 106  -1.495  31.400  27.106
  768   2HB   ASN 106          2HB       ASN 106  -0.460  32.713  26.542
  769   1HD2  ASN 106          2HD2      ASN 106  -3.711  31.672  26.770
  770   2HD2  ASN 106          1HD2      ASN 106  -4.386  32.821  25.714
  771    H    ALA 107           H        ALA 107   0.806  29.258  24.121
  772    HA   ALA 107           HA       ALA 107   3.286  29.980  25.564
  773   1HB   ALA 107          3HB       ALA 107   3.042  27.482  26.101
  774   2HB   ALA 107          2HB       ALA 107   2.091  27.647  26.225
  775   3HB   ALA 107          1HB       ALA 107   2.742  28.097  26.792
  776    H    TRP 108           H        TRP 108   1.735  27.668  23.336
  777    HA   TRP 108           HA       TRP 108   4.084  26.847  22.012
  778   1HB   TRP 108          1HB       TRP 108   1.227  27.095  21.118
  779   2HB   TRP 108          2HB       TRP 108   2.488  26.592  19.990
  780    HD1  TRP 108           HD1      TRP 108   3.331  24.171  20.133
  781    HE1  TRP 108           HE1      TRP 108   2.775  22.151  21.628
  782    HE3  TRP 108           HE3      TRP 108   0.567  26.488  23.737
  783    HZ2  TRP 108           HZ2      TRP 108   1.339  21.594  24.032
  784    HZ3  TRP 108           HZ3      TRP 108  -0.380  25.190  25.621
  785    HH2  TRP 108           HH2      TRP 108   0.003  22.749  25.771
  786    H    VAL 109           H        VAL 109   5.462  28.197  21.372
  787    HA   VAL 109           HA       VAL 109   5.420  30.863  20.803
  788    HB   VAL 109           HB       VAL 109   7.500  29.666  21.089
  789   1HG1  VAL 109          1HG1      VAL 109   6.499  27.673  19.651
  790   2HG1  VAL 109          2HG1      VAL 109   7.347  28.489  18.346
  791   3HG1  VAL 109          3HG1      VAL 109   8.236  27.927  19.754
  792   1HG2  VAL 109          1HG2      VAL 109   7.503  31.757  19.698
  793   2HG2  VAL 109          2HG2      VAL 109   8.813  30.654  19.305
  794   3HG2  VAL 109          3HG2      VAL 109   7.403  30.750  18.263
  795    H    ALA 110           H        ALA 110   5.099  28.296  18.227
  796    HA   ALA 110           HA       ALA 110   4.921  30.176  16.104
  797   1HB   ALA 110          2HB       ALA 110   3.366  27.579  16.249
  798   2HB   ALA 110          1HB       ALA 110   5.080  27.659  15.858
  799   3HB   ALA 110          3HB       ALA 110   3.898  28.418  14.801
  800    H    TRP 111           H        TRP 111   2.182  28.543  17.709
  801    HA   TRP 111           HA       TRP 111   0.108  30.081  16.533
  802   1HB   TRP 111          1HB       TRP 111  -0.181  27.976  17.889
  803   2HB   TRP 111          2HB       TRP 111   0.160  28.894  19.351
  804    HD1  TRP 111           HD1      TRP 111  -2.405  28.714  16.485
  805    HE1  TRP 111           HE1      TRP 111  -4.601  29.798  17.301
  806    HE3  TRP 111           HE3      TRP 111  -0.937  30.356  21.082
  807    HZ2  TRP 111           HZ2      TRP 111  -5.606  31.154  19.584
  808    HZ3  TRP 111           HZ3      TRP 111  -2.540  31.531  22.570
  809    HH2  TRP 111           HH2      TRP 111  -4.873  31.932  21.824
  810    H    ARG 112           H        ARG 112   1.887  30.615  19.587
  811    HA   ARG 112           HA       ARG 112   0.662  32.753  20.750
  812   1HB   ARG 112          1HB       ARG 112   3.264  31.669  20.762
  813   2HB   ARG 112          2HB       ARG 112   3.456  33.399  20.568
  814   1HG   ARG 112          1HG       ARG 112   1.432  33.028  22.519
  815   2HG   ARG 112          2HG       ARG 112   2.744  31.934  22.935
  816   1HD   ARG 112          1HD       ARG 112   2.800  34.919  22.679
  817   2HD   ARG 112          2HD       ARG 112   3.391  33.924  24.005
  818    HE   ARG 112           HE       ARG 112   4.937  34.816  21.782
  819   1HH1  ARG 112          1HH1      ARG 112   6.716  33.772  20.987
  820   2HH1  ARG 112          2HH1      ARG 112   7.064  32.163  21.508
  821   1HH2  ARG 112          1HH2      ARG 112   4.318  31.954  23.561
  822   2HH2  ARG 112          2HH2      ARG 112   5.689  31.117  22.936
  823    H    ASN 113           H        ASN 113   3.006  33.251  18.016
  824    HA   ASN 113           HA       ASN 113   1.729  35.974  17.704
  825   1HB   ASN 113          1HB       ASN 113   4.153  36.223  16.468
  826   2HB   ASN 113          2HB       ASN 113   3.858  36.637  18.156
  827   1HD2  ASN 113          2HD2      ASN 113   5.035  33.995  16.056
  828   2HD2  ASN 113          1HD2      ASN 113   5.934  33.220  17.272
  829    H    ARG 114           H        ARG 114   2.821  33.088  15.955
  830    HA   ARG 114           HA       ARG 114   2.420  34.288  13.333
  831   1HB   ARG 114          1HB       ARG 114   2.433  31.331  13.988
  832   2HB   ARG 114          2HB       ARG 114   2.882  32.109  12.467
  833   1HG   ARG 114          1HG       ARG 114   4.767  33.245  13.622
  834   2HG   ARG 114          2HG       ARG 114   4.341  32.407  15.114
  835   1HD   ARG 114          1HD       ARG 114   6.105  31.146  14.121
  836   2HD   ARG 114          2HD       ARG 114   4.620  30.232  13.823
  837    HE   ARG 114           HE       ARG 114   4.827  31.803  11.574
  838   1HH1  ARG 114          1HH1      ARG 114   5.887  31.160   9.724
  839   2HH1  ARG 114          2HH1      ARG 114   7.193  30.034   9.833
  840   1HH2  ARG 114          1HH2      ARG 114   6.955  29.693  13.250
  841   2HH2  ARG 114          2HH2      ARG 114   7.793  29.205  11.822
  842    H    CYS 115           H        CYS 115   0.335  32.806  15.690
  843    HA   CYS 115           HA       CYS 115  -1.910  32.838  13.708
  844   1HB   CYS 115          1HB       CYS 115  -1.873  31.135  16.185
  845   2HB   CYS 115          2HB       CYS 115  -2.811  30.920  14.704
  846    H    LYS 116           H        LYS 116  -1.228  33.061  17.236
  847    HA   LYS 116           HA       LYS 116  -3.765  34.306  17.814
  848   1HB   LYS 116          1HB       LYS 116  -1.981  33.169  19.404
  849   2HB   LYS 116          2HB       LYS 116  -1.366  34.812  19.538
  850   1HG   LYS 116          1HG       LYS 116  -3.649  35.585  20.166
  851   2HG   LYS 116          2HG       LYS 116  -4.196  33.912  20.127
  852   1HD   LYS 116          1HD       LYS 116  -3.666  34.011  22.360
  853   2HD   LYS 116          2HD       LYS 116  -2.065  33.613  21.746
  854   1HE   LYS 116          1HE       LYS 116  -1.634  36.108  21.582
  855   2HE   LYS 116          2HE       LYS 116  -3.126  36.344  22.482
  856   1HZ   LYS 116          1HZ       LYS 116  -1.985  34.541  24.041
  857   2HZ   LYS 116          2HZ       LYS 116  -0.583  35.237  23.372
  858   3HZ   LYS 116          3HZ       LYS 116  -1.684  36.214  24.206
  859    H    GLY 117           H        GLY 117  -3.333  35.758  15.770
  860   1HA   GLY 117          2HA       GLY 117  -1.773  38.193  16.421
  861   2HA   GLY 117          1HA       GLY 117  -3.514  38.401  16.256
  862    H    THR 118           H        THR 118  -2.918  35.967  14.163
  863    HA   THR 118           HA       THR 118  -2.268  37.860  11.935
  864    HB   THR 118           HB       THR 118  -1.243  36.025  10.723
  865    HG1  THR 118           HG1      THR 118  -1.024  34.023  12.263
  866   1HG2  THR 118          1HG2      THR 118   0.024  37.247  12.574
  867   2HG2  THR 118          2HG2      THR 118  -0.247  35.819  13.567
  868   3HG2  THR 118          3HG2      THR 118   0.685  35.692  12.079
  869    H    ASP 119           H        ASP 119  -3.281  34.662  11.099
  870    HA   ASP 119           HA       ASP 119  -6.094  35.586  10.758
  871   1HB   ASP 119          1HB       ASP 119  -5.467  36.071   8.575
  872   2HB   ASP 119          2HB       ASP 119  -4.167  34.881   8.574
  873    H    VAL 120           H        VAL 120  -7.569  33.789  10.432
  874    HA   VAL 120           HA       VAL 120  -6.422  31.161  11.239
  875    HB   VAL 120           HB       VAL 120  -8.595  30.745  12.445
  876   1HG1  VAL 120          1HG1      VAL 120  -6.328  32.119  13.275
  877   2HG1  VAL 120          2HG1      VAL 120  -7.635  33.125  13.833
  878   3HG1  VAL 120          3HG1      VAL 120  -7.553  31.456  14.319
  879   1HG2  VAL 120          1HG2      VAL 120  -9.831  32.561  11.181
  880   2HG2  VAL 120          2HG2      VAL 120 -10.060  32.597  12.912
  881   3HG2  VAL 120          3HG2      VAL 120  -8.972  33.730  12.151
  882    H    GLN 121           H        GLN 121  -7.324  32.412   8.555
  883    HA   GLN 121           HA       GLN 121  -9.331  30.329   7.799
  884   1HB   GLN 121          1HB       GLN 121  -8.565  32.887   6.357
  885   2HB   GLN 121          2HB       GLN 121  -9.827  31.761   5.864
  886   1HG   GLN 121          1HG       GLN 121 -11.181  32.293   7.749
  887   2HG   GLN 121          2HG       GLN 121  -9.849  33.096   8.573
  888   1HE2  GLN 121          2HE2      GLN 121  -9.069  35.180   7.588
  889   2HE2  GLN 121          1HE2      GLN 121 -10.165  36.121   6.692
  890    H    ALA 122           H        ALA 122  -6.225  31.825   6.937
  891    HA   ALA 122           HA       ALA 122  -5.739  30.391   4.522
  892   1HB   ALA 122          1HB       ALA 122  -4.167  31.955   6.447
  893   2HB   ALA 122          3HB       ALA 122  -4.089  31.923   4.692
  894   3HB   ALA 122          2HB       ALA 122  -3.233  30.710   5.631
  895    H    TRP 123           H        TRP 123  -5.986  29.144   7.688
  896    HA   TRP 123           HA       TRP 123  -4.264  26.804   7.034
  897   1HB   TRP 123          1HB       TRP 123  -5.478  26.984   9.721
  898   2HB   TRP 123          2HB       TRP 123  -3.816  26.624   9.258
  899    HD1  TRP 123           HD1      TRP 123  -6.169  29.497  10.003
  900    HE1  TRP 123           HE1      TRP 123  -4.791  31.663  10.314
  901    HE3  TRP 123           HE3      TRP 123  -1.546  27.827   8.621
  902    HZ2  TRP 123           HZ2      TRP 123  -2.123  32.563  10.026
  903    HZ3  TRP 123           HZ3      TRP 123   0.403  29.361   8.648
  904    HH2  TRP 123           HH2      TRP 123   0.118  31.730   9.345
  905    H    ILE 124           H        ILE 124  -7.379  27.696   6.621
  906    HA   ILE 124           HA       ILE 124  -8.304  24.865   6.816
  907    HB   ILE 124           HB       ILE 124 -10.636  25.946   7.343
  908   1HG1  ILE 124          1HG1      ILE 124  -8.793  28.033   8.541
  909   2HG1  ILE 124          2HG1      ILE 124  -9.718  28.289   7.064
  910   1HG2  ILE 124          1HG2      ILE 124  -9.349  24.473   8.868
  911   2HG2  ILE 124          2HG2      ILE 124  -8.508  25.829   9.467
  912   3HG2  ILE 124          3HG2      ILE 124 -10.187  25.684   9.731
  913   1HD1  ILE 124          1HD1      ILE 124 -11.479  27.306   9.042
  914   2HD1  ILE 124          2HD1      ILE 124 -10.640  28.545   9.713
  915   3HD1  ILE 124          3HD1      ILE 124 -11.497  28.787   8.336
  916    H    ARG 125           H        ARG 125  -8.550  28.039   5.303
  917    HA   ARG 125           HA       ARG 125 -10.522  27.913   3.440
  918   1HB   ARG 125          1HB       ARG 125  -7.708  28.837   3.308
  919   2HB   ARG 125          2HB       ARG 125  -8.537  28.666   1.761
  920   1HG   ARG 125          1HG       ARG 125 -10.070  30.011   3.928
  921   2HG   ARG 125          2HG       ARG 125  -8.704  30.906   3.271
  922   1HD   ARG 125          1HD       ARG 125  -9.593  30.878   1.080
  923   2HD   ARG 125          2HD       ARG 125 -10.744  29.607   1.472
  924    HE   ARG 125           HE       ARG 125 -11.425  31.703   3.168
  925   1HH1  ARG 125          1HH1      ARG 125 -12.906  33.279   2.626
  926   2HH1  ARG 125          2HH1      ARG 125 -13.236  33.604   0.963
  927   1HH2  ARG 125          1HH2      ARG 125 -11.035  31.244  -0.205
  928   2HH2  ARG 125          2HH2      ARG 125 -12.178  32.458  -0.634
  929    H    GLY 126           H        GLY 126 -11.226  26.536   1.889
  930   1HA   GLY 126          2HA       GLY 126  -9.296  24.553   0.753
  931   2HA   GLY 126          1HA       GLY 126 -10.764  25.097  -0.060
  932    H    CYS 127           H        CYS 127  -9.657  23.343   2.844
  933    HA   CYS 127           HA       CYS 127 -11.568  21.209   2.443
  934   1HB   CYS 127          1HB       CYS 127 -10.003  21.966   4.931
  935   2HB   CYS 127          2HB       CYS 127 -10.852  20.442   4.687
  936    H    ARG 128           H        ARG 128 -13.196  23.182   2.188
  937    HA   ARG 128           HA       ARG 128 -14.332  24.400   4.499
  938   1HB   ARG 128          1HB       ARG 128 -14.674  25.001   2.037
  939   2HB   ARG 128          2HB       ARG 128 -15.850  23.692   1.988
  940   1HG   ARG 128          1HG       ARG 128 -17.117  24.757   3.816
  941   2HG   ARG 128          2HG       ARG 128 -15.948  26.070   3.862
  942   1HD   ARG 128          1HD       ARG 128 -16.613  25.983   1.205
  943   2HD   ARG 128          2HD       ARG 128 -18.142  25.576   1.963
  944    HE   ARG 128           HE       ARG 128 -17.072  28.175   1.810
  945   1HH1  ARG 128          1HH1      ARG 128 -17.507  29.801   3.249
  946   2HH1  ARG 128          2HH1      ARG 128 -18.177  29.424   4.783
  947   1HH2  ARG 128          1HH2      ARG 128 -18.277  26.057   4.198
  948   2HH2  ARG 128          2HH2      ARG 128 -18.603  27.315   5.322
  949    H    LEU 129           H        LEU 129 -14.023  22.113   5.607
  950    HA   LEU 129           HA       LEU 129 -16.755  21.028   5.869
  951   1HB   LEU 129          1HB       LEU 129 -15.579  18.704   6.117
  952   2HB   LEU 129          2HB       LEU 129 -15.955  19.314   4.514
  953    HG   LEU 129           HG       LEU 129 -13.432  20.377   5.094
  954   1HD1  LEU 129          1HD1      LEU 129 -13.275  18.569   6.767
  955   2HD1  LEU 129          2HD1      LEU 129 -13.321  17.654   5.882
  956   3HD1  LEU 129          3HD1      LEU 129 -12.357  18.506   5.867
  957   1HD2  LEU 129          1HD2      LEU 129 -14.157  17.969   3.503
  958   2HD2  LEU 129          2HD2      LEU 129 -14.216  19.539   2.946
  959   3HD2  LEU 129          3HD2      LEU 129 -12.739  18.861   3.343

  No H/Q in entry =         959