*HEADER    METAL BINDING PROTEIN/TRANSFERASE       29-JUN-12   2LV6              
*TITLE     THE COMPLEX BETWEEN CA-CALMODULIN AND SKELETAL MUSCLE MYOSIN LIGHT    
*TITLE    2 CHAIN KINASE FROM COMBINATION OF NMR AND AQUEOUS AND CONTRAST-MATCHED
*TITLE    3 SAXS DATA                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CALMODULIN;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CAM;                                                        
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: MYOSIN LIGHT CHAIN KINASE 2, SKELETAL/CARDIAC MUSCLE;      
*COMPND   8 CHAIN: B;                                                            
*COMPND   9 FRAGMENT: CALMODULIN-BINDING RESIDUES 566-591;                       
*COMPND  10 SYNONYM: MLCK2;                                                      
*COMPND  11 EC: 2.7.11.18;                                                       
*COMPND  12 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: CALM1, CALM, CAM, CAM1, CALM2, CAM2, CAMB, CALM3, CALML2,      
*SOURCE   6 CAM3, CAMC, CAMIII;                                                  
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   8 EXPRESSION_SYSTEM_TAXID: 511693;                                     
*SOURCE   9 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE  10 EXPRESSION_SYSTEM_VARIANT: CODON-PLUS (DE3) RIPL;                    
*SOURCE  11 EXPRESSION_SYSTEM_VECTOR: PET21A;                                    
*SOURCE  12 MOL_ID: 2;                                                           
*SOURCE  13 SYNTHETIC: YES;                                                      
*SOURCE  14 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE  15 ORGANISM_COMMON: HUMAN;                                              
*SOURCE  16 ORGANISM_TAXID: 9606                                                 
*KEYWDS    PB-SUBSTITUTED, PROTEIN COMPLEX, METAL BINDING PROTEIN-TRANSFERASE    
*KEYWDS   2 COMPLEX                                                              
*EXPDTA    SOLUTION SCATTERING                                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    A.V.GRISHAEV, N.J.ANTHIS, G.M.CLORE                                   
*REVDAT   1   20-FEB-13 2LV6    0                                                


6   N-HN   -20.79493393
8   N-HN   -31.30474619
9   N-HN   -25.40512579
10   N-HN   -19.82092742
11   N-HN   -28.68416076
12   N-HN   -31.64947837
13   N-HN   -20.7717171
14   N-HN   -22.07856757
15   N-HN   -35.36588883
16   N-HN   -27.15895222
17   N-HN   -11.91348229
18   N-HN   -28.45888006
19   N-HN   -26.39498359
20   N-HN   -13.87763565
21   N-HN   9.469546358
22   N-HN   5.191593199
23   N-HN   11.08543447
24   N-HN   -3.621013905
25   N-HN   9.760338699
26   N-HN   -26.71586017
27   N-HN   -28.23238522
28   N-HN   2.379051417
29   N-HN   27.15546588
30   N-HN   20.72851302
31   N-HN   11.05136825
32   N-HN   19.95025539
33   N-HN   25.87770997
34   N-HN   15.40078341
35   N-HN   16.21912743
36   N-HN   24.54362095
38   N-HN   4.86638531
39   N-HN   24.36072287
40   N-HN   1.31917976
41   N-HN   5.678199194
42   N-HN   -5.108525293
44   N-HN   -16.45280804
45   N-HN   -28.05009696
46   N-HN   -20.34365713
47   N-HN   -29.52405237
48   N-HN   -32.09279297
49   N-HN   -27.11607699
50   N-HN   -19.46606379
51   N-HN   -24.50974986
52   N-HN   -28.77633011
53   N-HN   -24.18829323
54   N-HN   -18.75746641
55   N-HN   -34.05587615
56   N-HN   -6.68708592
57   N-HN   21.29997982
59   N-HN   21.92922148
60   N-HN   1.732909682
61   N-HN   -24.91151418
62   N-HN   -14.17101452
63   N-HN   -23.84826411
64   N-HN   -6.307750682
65   N-HN   3.995947642
67   N-HN   -4.229779478
68   N-HN   3.730642959
69   N-HN   12.26423778
70   N-HN   3.408084166
71   N-HN   -5.266275859
83   N-HN   -16.7206362
84   N-HN   -31.25442704
85   N-HN   -28.45803329
86   N-HN   -24.28159873
87   N-HN   -12.1194092
88   N-HN   -25.25434425
89   N-HN   -29.369364
90   N-HN   -15.9225123
91   N-HN   -29.84445198
92   N-HN   -32.52792963
93   N-HN   -17.43724317
94   N-HN   8.103067289
95   N-HN   9.207869836
96   N-HN   10.01940499
98   N-HN   19.22879073
99   N-HN   -25.69052481
100   N-HN   -27.27606203
101   N-HN   7.43522057
102   N-HN   27.28813454
103   N-HN   23.62302658
104   N-HN   16.73326746
105   N-HN   27.20864364
106   N-HN   26.38357052
107   N-HN   19.27917936
108   N-HN   14.83069495
109   N-HN   26.75126782
110   N-HN   23.51280687
111   N-HN   16.92433801
118   N-HN   -27.34289035
119   N-HN   -12.50443219
120   N-HN   -21.34771123
121   N-HN   -26.52331658
122   N-HN   -20.80758171
123   N-HN   -12.83312161
124   N-HN   -29.47698026
125   N-HN   -27.48405908
126   N-HN   -16.63774075
127   N-HN   -12.81147983
128   N-HN   -32.2101606
129   N-HN   -6.601196664
130   N-HN   17.85734384
131   N-HN   18.52989198
133   N-HN   -5.090747019
134   N-HN   -29.86592073
135   N-HN   -3.537058513
136   N-HN   -15.60720205
137   N-HN   1.532682653
138   N-HN   4.733077086
139   N-HN   9.739220425
140   N-HN   -5.093691539
141   N-HN   1.810734247
142   N-HN   10.43114995
143   N-HN   4.020727871
144   N-HN   -7.881759747
scattering data in H2O
         q            I(q)       sigmaI(q)
2.3784E-02 9.4407E-03 6.3996E-04
2.4917E-02 9.3058E-03 7.3522E-04
2.6049E-02 9.2811E-03 7.0579E-04
2.7182E-02 9.2488E-03 7.7770E-04
2.8314E-02 9.1817E-03 6.6867E-04
2.9447E-02 9.1302E-03 7.1456E-04
3.0579E-02 8.9995E-03 8.0275E-04
3.1712E-02 8.9646E-03 6.8052E-04
3.2845E-02 8.9380E-03 6.0678E-04
3.3977E-02 8.7835E-03 6.3477E-04
3.5110E-02 8.7843E-03 7.1308E-04
3.6242E-02 8.6542E-03 5.5718E-04
3.7375E-02 8.5611E-03 6.7082E-04
3.8507E-02 8.5210E-03 5.4569E-04
3.9640E-02 8.3990E-03 6.5821E-04
4.0773E-02 8.3687E-03 5.5848E-04
4.1905E-02 8.2630E-03 6.7292E-04
4.3038E-02 8.1850E-03 5.9690E-04
4.4170E-02 8.1178E-03 6.1443E-04
4.5303E-02 8.0004E-03 4.7262E-04
4.6436E-02 7.9137E-03 5.6054E-04
4.7568E-02 7.8325E-03 5.9694E-04
4.8701E-02 7.7531E-03 6.4850E-04
4.9833E-02 7.6684E-03 5.8961E-04
5.0966E-02 7.5770E-03 6.2842E-04
5.2098E-02 7.4895E-03 6.5763E-04
5.3231E-02 7.3558E-03 7.1545E-04
5.4364E-02 7.2977E-03 7.7377E-04
5.5496E-02 7.1653E-03 5.5615E-04
5.6629E-02 7.0956E-03 7.7690E-04
5.7761E-02 6.9824E-03 6.1107E-04
5.8894E-02 6.8860E-03 6.8231E-04
6.0026E-02 6.7638E-03 5.8205E-04
6.1159E-02 6.7239E-03 5.6394E-04
6.2292E-02 6.6518E-03 5.8706E-04
6.3424E-02 6.5236E-03 4.7293E-04
6.4557E-02 6.4233E-03 5.9819E-04
6.5689E-02 6.3523E-03 5.5580E-04
6.6822E-02 6.2312E-03 4.9632E-04
6.7954E-02 6.0950E-03 4.0020E-04
6.9087E-02 6.0525E-03 5.3272E-04
7.0220E-02 5.9462E-03 5.8254E-04
7.1352E-02 5.7937E-03 5.9095E-04
7.2485E-02 5.7364E-03 4.9551E-04
7.3617E-02 5.6349E-03 4.1367E-04
7.4750E-02 5.5347E-03 4.6269E-04
7.5882E-02 5.4751E-03 6.1402E-04
7.7015E-02 5.3464E-03 5.2557E-04
7.8148E-02 5.2004E-03 4.3467E-04
7.9280E-02 5.0998E-03 5.1072E-04
8.0413E-02 5.0696E-03 3.2891E-04
8.1545E-02 4.9112E-03 4.4860E-04
8.2678E-02 4.8402E-03 4.2608E-04
8.3810E-02 4.7270E-03 3.7356E-04
8.4943E-02 4.6364E-03 4.9515E-04
8.6076E-02 4.5643E-03 4.1778E-04
8.7208E-02 4.4761E-03 4.8178E-04
8.8341E-02 4.3497E-03 4.7163E-04
8.9473E-02 4.2773E-03 4.4492E-04
9.0606E-02 4.1688E-03 3.9721E-04
9.1738E-02 4.0677E-03 4.6935E-04
9.2871E-02 3.9883E-03 4.3321E-04
9.4004E-02 3.9565E-03 3.8592E-04
9.5136E-02 3.8830E-03 3.9442E-04
9.6269E-02 3.7315E-03 3.8737E-04
9.7401E-02 3.6823E-03 4.2640E-04
9.8534E-02 3.5546E-03 3.7012E-04
9.9666E-02 3.4777E-03 3.9064E-04
1.0080E-01 3.3851E-03 3.9831E-04
1.0193E-01 3.2901E-03 3.8954E-04
1.0306E-01 3.2052E-03 3.9648E-04
1.0420E-01 3.1358E-03 3.6063E-04
1.0533E-01 3.0327E-03 3.2282E-04
1.0646E-01 2.9779E-03 3.5313E-04
1.0759E-01 2.8834E-03 3.1043E-04
1.0873E-01 2.8498E-03 3.7033E-04
1.0986E-01 2.7593E-03 3.4963E-04
1.1099E-01 2.6912E-03 2.7833E-04
1.1213E-01 2.6189E-03 3.1211E-04
1.1326E-01 2.5100E-03 2.6292E-04
1.1439E-01 2.4760E-03 3.2986E-04
1.1552E-01 2.3887E-03 3.4335E-04
1.1665E-01 2.3243E-03 3.1327E-04
1.1779E-01 2.2412E-03 2.9122E-04
1.1892E-01 2.1579E-03 3.1676E-04
1.2005E-01 2.1030E-03 3.0640E-04
1.2119E-01 2.0307E-03 3.4627E-04
1.2232E-01 2.0207E-03 3.2230E-04
1.2345E-01 1.9534E-03 2.6235E-04
1.2458E-01 1.9048E-03 2.2354E-04
1.2572E-01 1.8390E-03 2.9835E-04
1.2685E-01 1.7453E-03 2.5556E-04
1.2798E-01 1.7141E-03 2.9667E-04
1.2911E-01 1.6417E-03 1.9834E-04
1.3025E-01 1.5881E-03 2.3045E-04
1.3138E-01 1.5265E-03 2.5753E-04
1.3251E-01 1.5077E-03 3.6614E-04
1.3364E-01 1.4462E-03 2.5870E-04
1.3478E-01 1.3799E-03 2.4597E-04
1.3591E-01 1.3341E-03 2.7714E-04
1.3704E-01 1.3017E-03 3.1432E-04
1.3817E-01 1.2559E-03 2.7907E-04
1.3931E-01 1.2111E-03 2.4628E-04
1.4044E-01 1.1643E-03 2.3387E-04
1.4157E-01 1.1306E-03 2.6570E-04
1.4270E-01 1.0960E-03 2.7951E-04
1.4384E-01 1.0493E-03 2.4739E-04
1.4497E-01 1.0066E-03 2.8258E-04
1.4610E-01 9.5293E-04 2.5029E-04
1.4724E-01 9.2569E-04 2.3777E-04
1.4837E-01 8.9583E-04 2.3330E-04
1.4950E-01 8.5823E-04 3.0422E-04
1.5063E-01 8.2982E-04 2.3254E-04
1.5177E-01 7.9320E-04 2.5010E-04
1.5290E-01 7.6630E-04 2.8994E-04
1.5403E-01 7.2677E-04 2.4541E-04
1.5516E-01 6.8969E-04 2.6382E-04
1.5629E-01 6.5471E-04 2.0828E-04
1.5743E-01 6.7060E-04 2.3858E-04
1.5856E-01 6.5424E-04 2.3261E-04
1.5969E-01 5.9984E-04 2.7970E-04
1.6082E-01 5.9330E-04 2.6293E-04
1.6196E-01 5.5582E-04 2.5707E-04
1.6309E-01 5.3987E-04 2.7230E-04
1.6422E-01 5.1756E-04 2.7646E-04
1.6536E-01 4.9683E-04 2.4804E-04
1.6649E-01 4.8007E-04 2.7774E-04
1.6762E-01 4.5372E-04 2.4914E-04
1.6875E-01 4.4666E-04 2.8801E-04
1.6989E-01 4.3117E-04 2.7289E-04
1.7102E-01 3.9611E-04 2.4216E-04
1.7215E-01 3.9961E-04 2.7615E-04
1.7328E-01 3.7650E-04 2.2550E-04
1.7442E-01 3.8011E-04 2.5985E-04
1.7555E-01 3.5626E-04 2.3493E-04
1.7668E-01 3.2517E-04 2.0180E-04
1.7781E-01 3.1366E-04 2.6456E-04
1.7895E-01 3.0300E-04 2.6238E-04
1.8008E-01 2.9693E-04 2.5416E-04
1.8121E-01 2.9790E-04 1.9850E-04
1.8234E-01 2.6055E-04 2.2346E-04
1.8348E-01 2.7334E-04 2.2155E-04
1.8461E-01 2.5055E-04 3.1912E-04
1.8574E-01 2.3256E-04 2.5692E-04
1.8688E-01 2.1912E-04 2.2770E-04
1.8801E-01 2.5654E-04 2.0686E-04
1.8914E-01 2.2214E-04 2.2433E-04
1.9027E-01 2.1451E-04 2.1871E-04
1.9140E-01 2.0517E-04 2.3421E-04
1.9254E-01 1.9235E-04 2.3106E-04
1.9367E-01 1.8943E-04 2.1517E-04
1.9480E-01 1.8873E-04 2.5319E-04
1.9593E-01 1.8012E-04 2.1371E-04
1.9707E-01 1.6643E-04 2.6040E-04
1.9820E-01 1.6770E-04 2.5459E-04
1.9933E-01 1.5608E-04 2.5141E-04
2.0047E-01 1.5022E-04 1.6593E-04
2.0160E-01 1.4021E-04 2.2114E-04
2.0273E-01 1.4171E-04 2.2634E-04
2.0386E-01 1.5041E-04 2.2242E-04
2.0500E-01 1.5228E-04 2.2189E-04
2.0613E-01 1.3856E-04 2.2166E-04
2.0726E-01 1.2741E-04 2.0138E-04
2.0839E-01 1.5531E-04 1.8695E-04
2.0953E-01 1.4745E-04 2.1135E-04
2.1066E-01 1.4226E-04 2.0292E-04
2.1179E-01 1.5582E-04 2.4033E-04
2.1292E-01 1.2122E-04 2.4628E-04
2.1406E-01 1.3004E-04 2.0630E-04
2.1519E-01 1.1858E-04 1.9767E-04
2.1632E-01 1.3970E-04 1.8733E-04
2.1745E-01 1.2197E-04 1.4830E-04
2.1859E-01 1.1305E-04 2.3259E-04
2.1972E-01 1.1790E-04 2.7678E-04
2.2085E-01 1.3066E-04 1.8278E-04
2.2198E-01 9.8561E-05 2.0175E-04
2.2312E-01 1.3339E-04 1.8729E-04
2.2425E-01 1.3108E-04 1.8545E-04
2.2538E-01 1.1614E-04 1.9550E-04
2.2651E-01 1.2734E-04 1.8893E-04
2.2765E-01 1.0830E-04 2.4057E-04
2.2878E-01 1.0832E-04 1.9988E-04
2.2991E-01 1.1151E-04 2.2216E-04
2.3105E-01 1.0826E-04 2.0690E-04
2.3218E-01 1.1410E-04 1.9286E-04
2.3331E-01 1.1778E-04 1.9168E-04
2.3444E-01 1.0163E-04 1.8261E-04
2.3558E-01 9.4546E-05 1.7973E-04
2.3671E-01 9.8107E-05 2.0680E-04
2.3784E-01 1.1406E-04 2.1790E-04
2.3897E-01 9.3547E-05 1.6199E-04
2.4011E-01 1.1930E-04 2.0276E-04
2.4124E-01 1.0706E-04 2.4213E-04
2.4237E-01 1.0712E-04 2.1124E-04
2.4350E-01 1.0067E-04 2.1618E-04
2.4464E-01 1.0585E-04 2.1227E-04
2.4577E-01 8.9103E-05 1.9693E-04
2.4690E-01 1.0402E-04 1.7619E-04
2.4803E-01 1.0299E-04 1.7223E-04
2.4917E-01 9.2036E-05 2.1328E-04
2.5030E-01 9.9582E-05 2.1853E-04
2.5143E-01 8.2486E-05 1.7394E-04
2.5256E-01 8.5476E-05 2.2782E-04
2.5370E-01 8.5110E-05 2.1027E-04
2.5483E-01 9.5899E-05 2.3919E-04
2.5596E-01 8.3554E-05 2.0795E-04
2.5709E-01 7.3329E-05 2.1050E-04
2.5823E-01 1.0169E-04 1.9847E-04
2.5936E-01 8.6246E-05 2.1790E-04
2.6049E-01 9.9967E-05 1.9059E-04
2.6162E-01 9.4771E-05 1.9779E-04
2.6276E-01 7.6265E-05 1.9171E-04
2.6389E-01 8.2919E-05 1.5541E-04
2.6502E-01 8.9444E-05 2.1418E-04
2.6615E-01 1.0343E-04 2.0537E-04
2.6729E-01 8.0406E-05 1.7410E-04
2.6842E-01 9.4093E-05 1.5839E-04
2.6955E-01 7.7983E-05 2.1315E-04
2.7069E-01 8.2613E-05 1.7342E-04
2.7182E-01 8.1609E-05 2.0508E-04
2.7295E-01 7.9878E-05 1.5756E-04
2.7408E-01 8.5808E-05 1.9579E-04
2.7521E-01 7.2277E-05 2.0276E-04
2.7635E-01 7.4952E-05 1.6514E-04
2.7748E-01 7.2625E-05 1.7995E-04
2.7861E-01 7.3781E-05 2.0504E-04
2.7975E-01 8.3179E-05 1.8026E-04
2.8088E-01 8.4400E-05 1.7320E-04
2.8201E-01 9.0478E-05 2.2923E-04
2.8314E-01 8.1890E-05 2.0931E-04
2.8428E-01 6.3825E-05 1.9391E-04
2.8541E-01 8.1491E-05 1.8049E-04
2.8654E-01 8.6871E-05 1.9753E-04
2.8767E-01 8.5026E-05 2.1857E-04
2.8881E-01 7.4002E-05 1.8736E-04
2.8994E-01 7.9719E-05 2.0543E-04
2.9107E-01 7.6328E-05 2.0487E-04
2.9220E-01 5.1272E-05 1.9192E-04
2.9334E-01 5.5823E-05 1.9291E-04
2.9447E-01 6.3798E-05 1.9789E-04
2.9560E-01 6.9931E-05 2.0434E-04
2.9673E-01 7.7128E-05 2.0046E-04
2.9787E-01 8.2229E-05 2.1532E-04
2.9900E-01 8.2736E-05 1.6530E-04
3.0013E-01 5.7100E-05 1.8474E-04
3.0126E-01 7.1752E-05 1.7920E-04
3.0240E-01 5.5117E-05 1.5940E-04
3.0353E-01 7.7146E-05 2.0202E-04
3.0466E-01 7.7861E-05 2.1735E-04
3.0579E-01 7.0715E-05 2.1687E-04
3.0693E-01 7.6435E-05 2.0983E-04
3.0806E-01 5.0626E-05 1.7944E-04
3.0919E-01 5.7345E-05 1.3914E-04
3.1033E-01 7.2622E-05 1.7671E-04
3.1146E-01 5.9015E-05 1.9553E-04
3.1259E-01 5.9399E-05 1.6399E-04
3.1372E-01 4.8498E-05 1.6294E-04
3.1485E-01 5.4322E-05 1.7561E-04
3.1599E-01 4.9268E-05 1.8232E-04
3.1712E-01 6.1595E-05 1.9365E-04
3.1825E-01 3.0464E-05 1.6955E-04
3.1939E-01 4.4340E-05 1.8768E-04
3.2052E-01 5.3290E-05 1.9311E-04
3.2165E-01 6.0586E-05 1.3572E-04
3.2278E-01 7.2510E-05 1.9108E-04
3.2392E-01 6.0691E-05 1.9333E-04
3.2505E-01 4.0713E-05 1.8645E-04
3.2618E-01 6.4206E-05 1.5024E-04
3.2731E-01 5.1173E-05 1.7411E-04
3.2845E-01 4.4258E-05 1.9261E-04
3.2958E-01 6.0886E-05 1.6467E-04
3.3071E-01 6.6112E-05 1.6470E-04
3.3184E-01 5.5020E-05 1.7310E-04
3.3298E-01 5.4924E-05 2.1989E-04
3.3411E-01 5.6703E-05 1.9557E-04
3.3524E-01 5.3525E-05 1.6554E-04
3.3637E-01 5.2692E-05 1.6646E-04
3.3751E-01 6.1626E-05 2.1812E-04
3.3864E-01 5.6956E-05 1.9167E-04
3.3977E-01 5.8452E-05 1.7827E-04
3.4091E-01 4.5666E-05 1.8760E-04
3.4204E-01 6.0739E-05 1.9521E-04
3.4317E-01 5.9052E-05 1.9517E-04
3.4430E-01 6.7416E-05 1.8859E-04
3.4543E-01 6.4262E-05 1.7938E-04
3.4657E-01 4.1434E-05 1.6236E-04
3.4770E-01 4.9633E-05 1.6792E-04
3.4883E-01 4.5474E-05 1.5987E-04
3.4997E-01 6.9891E-05 1.7931E-04
3.5110E-01 6.7040E-05 1.8712E-04
3.5223E-01 6.9789E-05 1.5984E-04
3.5336E-01 4.3091E-05 1.6329E-04
3.5450E-01 5.4308E-05 1.5275E-04
3.5563E-01 6.0454E-05 1.6760E-04
3.5676E-01 5.6574E-05 1.6021E-04
3.5789E-01 7.3289E-05 1.8601E-04
3.5903E-01 4.4670E-05 1.4990E-04
3.6016E-01 5.6201E-05 2.1473E-04
3.6129E-01 5.1092E-05 2.1503E-04
3.6242E-01 5.8890E-05 1.7330E-04
3.6356E-01 7.3233E-05 1.5369E-04
3.6469E-01 6.0596E-05 1.8908E-04
3.6582E-01 5.1434E-05 1.6541E-04
3.6695E-01 5.7532E-05 1.8846E-04
3.6809E-01 7.2325E-05 1.7615E-04
3.6922E-01 5.9791E-05 1.7317E-04
3.7035E-01 4.7183E-05 1.7627E-04
3.7148E-01 6.7157E-05 1.5015E-04
3.7262E-01 9.4034E-05 1.5825E-04
3.7375E-01 6.5085E-05 1.7766E-04
3.7488E-01 6.6809E-05 1.5576E-04
3.7601E-01 7.1352E-05 1.9608E-04
3.7715E-01 6.9496E-05 1.8017E-04
3.7828E-01 8.4245E-05 1.4509E-04
3.7941E-01 6.9617E-05 1.9227E-04
3.8055E-01 7.0079E-05 1.8310E-04
3.8168E-01 5.8535E-05 1.8153E-04
3.8281E-01 6.2315E-05 1.7488E-04
3.8394E-01 7.6283E-05 2.0050E-04
3.8508E-01 7.7228E-05 2.0840E-04
3.8621E-01 7.1609E-05 1.9087E-04
3.8734E-01 6.8397E-05 2.1712E-04
3.8847E-01 6.9426E-05 1.6539E-04
3.8960E-01 5.8897E-05 1.9607E-04
3.9074E-01 7.2267E-05 2.1822E-04
3.9187E-01 7.1881E-05 1.8104E-04
3.9300E-01 8.1820E-05 1.4566E-04
3.9414E-01 5.4647E-05 1.6998E-04
3.9527E-01 6.4481E-05 1.9359E-04
3.9640E-01 7.4850E-05 2.0015E-04
3.9753E-01 5.5387E-05 1.5062E-04
3.9867E-01 6.0267E-05 1.7637E-04
3.9980E-01 6.9523E-05 1.4847E-04
4.0093E-01 6.6248E-05 1.6779E-04
4.0206E-01 5.4287E-05 1.7554E-04
4.0320E-01 7.3283E-05 1.6584E-04
4.0433E-01 8.3298E-05 1.6911E-04
4.0546E-01 4.9727E-05 1.6817E-04
4.0659E-01 7.2389E-05 1.4725E-04
4.0773E-01 7.4662E-05 1.7467E-04
4.0886E-01 8.0058E-05 1.8933E-04
4.0999E-01 5.7384E-05 1.6002E-04
4.1112E-01 6.0351E-05 1.9298E-04
4.1226E-01 6.8508E-05 1.5013E-04
4.1339E-01 6.3389E-05 2.0895E-04
4.1452E-01 8.3621E-05 1.5303E-04
4.1565E-01 5.8742E-05 1.6858E-04
4.1679E-01 7.9039E-05 1.6583E-04
4.1792E-01 6.0667E-05 1.9800E-04
4.1905E-01 7.0368E-05 1.8215E-04
4.2018E-01 7.4321E-05 1.7286E-04
4.2132E-01 5.5855E-05 1.7877E-04
4.2245E-01 6.2095E-05 1.7160E-04
4.2358E-01 7.9604E-05 2.0080E-04
4.2472E-01 5.3712E-05 1.5267E-04
4.2585E-01 6.6692E-05 2.0124E-04
4.2698E-01 6.3836E-05 1.7684E-04
4.2811E-01 6.7928E-05 1.5537E-04
4.2924E-01 6.5919E-05 1.5404E-04
4.3038E-01 6.5178E-05 1.6419E-04
4.3151E-01 6.7847E-05 1.7028E-04
4.3264E-01 6.1386E-05 1.7851E-04
4.3378E-01 4.8364E-05 1.5028E-04
4.3491E-01 6.7672E-05 1.7184E-04
4.3604E-01 6.6841E-05 1.6923E-04
4.3717E-01 6.2845E-05 1.9042E-04
4.3831E-01 6.3004E-05 1.5738E-04
4.3944E-01 6.9871E-05 1.7781E-04
4.4057E-01 7.1279E-05 1.7374E-04
4.4170E-01 7.2097E-05 1.4837E-04
4.4284E-01 6.1059E-05 2.0799E-04
4.4397E-01 6.1524E-05 1.7283E-04
4.4510E-01 7.5559E-05 1.3658E-04
4.4623E-01 6.2256E-05 1.4749E-04
4.4737E-01 6.9926E-05 1.6382E-04
4.4850E-01 7.2848E-05 1.9903E-04
4.4963E-01 8.4072E-05 1.7527E-04
4.5076E-01 7.5952E-05 1.4571E-04
4.5190E-01 7.5197E-05 1.6699E-04
4.5303E-01 7.2414E-05 1.8188E-04
4.5416E-01 5.3652E-05 2.0037E-04
4.5529E-01 4.9628E-05 1.7572E-04
4.5643E-01 7.1043E-05 1.6517E-04
4.5756E-01 7.0781E-05 1.7502E-04
4.5869E-01 5.5867E-05 1.5271E-04
4.5982E-01 7.2157E-05 1.9331E-04
4.6096E-01 7.5181E-05 1.5324E-04
4.6209E-01 6.5837E-05 2.0270E-04
4.6322E-01 5.5635E-05 2.1223E-04
4.6436E-01 7.3314E-05 1.7716E-04
4.6549E-01 4.8859E-05 1.5977E-04
4.6662E-01 4.9486E-05 1.7547E-04
4.6775E-01 6.9284E-05 1.5928E-04
4.6888E-01 8.0926E-05 2.1221E-04
4.7002E-01 6.1875E-05 1.6789E-04
4.7115E-01 7.5335E-05 1.9274E-04
4.7228E-01 6.9660E-05 1.6680E-04
4.7342E-01 6.4765E-05 2.0672E-04
4.7455E-01 6.3645E-05 1.8067E-04
4.7568E-01 4.9613E-05 1.7727E-04
4.7681E-01 5.7413E-05 1.8911E-04
4.7795E-01 6.6741E-05 1.2593E-04
4.7908E-01 6.5154E-05 1.6341E-04
4.8021E-01 6.9429E-05 2.3862E-04
4.8134E-01 4.9712E-05 1.3832E-04
4.8248E-01 5.3734E-05 1.7041E-04
4.8361E-01 4.4918E-05 1.7160E-04
4.8474E-01 4.7440E-05 1.9113E-04
4.8587E-01 6.9379E-05 1.7105E-04
4.8701E-01 5.3246E-05 1.6538E-04
4.8814E-01 3.7630E-05 1.7233E-04
4.8927E-01 4.6293E-05 2.0199E-04
4.9040E-01 5.3207E-05 1.9579E-04
4.9154E-01 5.0848E-05 1.9013E-04
4.9267E-01 8.8739E-05 2.1772E-04
4.9380E-01 5.6289E-05 2.0712E-04
4.9493E-01 7.6269E-05 1.8573E-04
4.9607E-01 5.6022E-05 1.7129E-04
4.9720E-01 6.0658E-05 1.8845E-04
4.9833E-01 4.6807E-05 2.0705E-04
4.9946E-01 6.0605E-05 1.7800E-04
5.0060E-01 5.6288E-05 1.6418E-04
5.0173E-01 5.4608E-05 1.8497E-04
5.0286E-01 5.1249E-05 1.8351E-04
5.0399E-01 6.2064E-05 1.5640E-04
5.0513E-01 7.4269E-05 1.7632E-04
5.0626E-01 4.9910E-05 1.6918E-04
5.0739E-01 5.5262E-05 1.6977E-04
5.0853E-01 6.2274E-05 1.8168E-04
5.0966E-01 5.5787E-05 1.3751E-04
5.1079E-01 5.5863E-05 2.0903E-04
5.1192E-01 5.7653E-05 1.8439E-04
5.1306E-01 8.5451E-05 1.3714E-04
5.1419E-01 5.7375E-05 1.6294E-04
5.1532E-01 7.3162E-05 1.9142E-04
5.1645E-01 4.3959E-05 1.9082E-04
5.1759E-01 5.7193E-05 1.7230E-04
5.1872E-01 3.8577E-05 1.1562E-04
5.1985E-01 4.5865E-05 1.7537E-04
5.2098E-01 4.4274E-05 1.2959E-04
5.2212E-01 3.1963E-05 1.9575E-04
5.2325E-01 6.6509E-05 1.4198E-04
5.2438E-01 6.0787E-05 1.6641E-04
5.2551E-01 5.3522E-05 1.6577E-04
5.2665E-01 6.4578E-05 1.8431E-04
5.2778E-01 5.2970E-05 2.0995E-04
5.2891E-01 4.9441E-05 1.8576E-04
5.3004E-01 6.5187E-05 1.5640E-04
5.3118E-01 5.6297E-05 1.3798E-04
5.3231E-01 5.8231E-05 1.7769E-04
5.3344E-01 5.2416E-05 2.2307E-04
5.3458E-01 6.6550E-05 1.7586E-04
5.3571E-01 6.4087E-05 1.8774E-04
5.3684E-01 6.3588E-05 1.7884E-04
5.3797E-01 4.7410E-05 1.6552E-04
5.3910E-01 5.2316E-05 1.4761E-04
5.4024E-01 6.7625E-05 1.6768E-04
5.4137E-01 5.3981E-05 1.7488E-04
5.4250E-01 6.5455E-05 1.9577E-04
5.4363E-01 5.6622E-05 1.8673E-04
5.4477E-01 5.5987E-05 1.7854E-04
5.4590E-01 6.6810E-05 1.9126E-04
5.4703E-01 4.4390E-05 1.6881E-04
5.4817E-01 5.0885E-05 1.7595E-04
5.4930E-01 6.0426E-05 1.5617E-04
5.5043E-01 4.7054E-05 1.8054E-04
5.5156E-01 8.0768E-05 1.6160E-04
5.5270E-01 5.0042E-05 1.6933E-04
5.5383E-01 6.3340E-05 1.7896E-04
5.5496E-01 4.7543E-05 1.9679E-04
5.5609E-01 4.6131E-05 1.8234E-04
5.5723E-01 6.1922E-05 2.2101E-04
5.5836E-01 4.9553E-05 1.7954E-04
5.5949E-01 5.4749E-05 1.6484E-04
5.6062E-01 3.9633E-05 1.5993E-04
5.6176E-01 4.7544E-05 1.5471E-04
5.6289E-01 5.9929E-05 1.7922E-04
5.6402E-01 4.9339E-05 1.5748E-04
5.6515E-01 4.3146E-05 2.1113E-04
5.6629E-01 5.2801E-05 1.8480E-04
5.6742E-01 4.3090E-05 1.4392E-04
5.6855E-01 5.3823E-05 1.8600E-04
5.6968E-01 3.8366E-05 1.8102E-04
5.7082E-01 3.3192E-05 1.7369E-04
5.7195E-01 4.4177E-05 2.0637E-04
5.7308E-01 6.6001E-05 1.9489E-04
5.7422E-01 5.2992E-05 1.9114E-04
5.7535E-01 4.3481E-05 1.9441E-04
5.7648E-01 4.5194E-05 1.6344E-04
5.7761E-01 3.4113E-05 1.8588E-04
5.7874E-01 6.7025E-05 2.0774E-04
5.7988E-01 6.9095E-05 1.7101E-04
5.8101E-01 6.0814E-05 1.7714E-04
5.8214E-01 5.3844E-05 1.9278E-04
5.8327E-01 5.2395E-05 1.8238E-04
5.8441E-01 3.2732E-05 2.0033E-04
5.8554E-01 6.5651E-05 1.9184E-04
5.8667E-01 4.7577E-05 1.5404E-04
5.8781E-01 5.8342E-05 1.9274E-04
5.8894E-01 5.2489E-05 2.0903E-04
5.9007E-01 5.0920E-05 1.8284E-04
5.9120E-01 4.9291E-05 1.8330E-04
5.9234E-01 6.3995E-05 2.1676E-04
5.9347E-01 6.0798E-05 1.8701E-04
5.9460E-01 2.3710E-05 1.9428E-04
5.9573E-01 5.2484E-05 1.6526E-04
5.9687E-01 4.7280E-05 1.9798E-04
5.9800E-01 5.7941E-05 1.8162E-04
5.9913E-01 5.7818E-05 2.4088E-04
6.0026E-01 4.2532E-05 1.9720E-04
6.0140E-01 3.2050E-05 1.9050E-04
6.0253E-01 5.0286E-05 1.9848E-04
6.0366E-01 2.6196E-05 2.3753E-04
6.0479E-01 4.7596E-05 2.1099E-04
6.0593E-01 5.6015E-05 1.9062E-04
6.0706E-01 6.4034E-05 1.7938E-04
6.0819E-01 3.7975E-05 1.9189E-04
6.0932E-01 5.1586E-05 1.8623E-04
6.1046E-01 6.0991E-05 2.4994E-04
6.1159E-01 4.3612E-05 2.2249E-04
6.1272E-01 5.3315E-05 2.0574E-04
6.1386E-01 4.1354E-05 2.0062E-04
6.1499E-01 5.1486E-05 1.6425E-04
6.1612E-01 5.3491E-05 2.1433E-04
6.1725E-01 4.4585E-05 1.9518E-04
6.1838E-01 5.9776E-05 1.4427E-04
6.1952E-01 5.2799E-05 1.8605E-04
6.2065E-01 2.0934E-05 2.4113E-04
6.2178E-01 2.8471E-05 2.0162E-04
6.2291E-01 4.8326E-05 1.8789E-04
6.2405E-01 2.8364E-05 2.1588E-04
6.2518E-01 5.6891E-05 1.8618E-04
6.2631E-01 4.6368E-05 2.0272E-04
6.2745E-01 1.4439E-05 2.0000E-04
6.2858E-01 6.1564E-05 1.8584E-04
6.2971E-01 3.3458E-05 2.0292E-04
6.3084E-01 2.9155E-05 1.9273E-04
6.3198E-01 5.1415E-05 2.2513E-04
6.3311E-01 4.1559E-05 2.2239E-04
6.3424E-01 3.1668E-05 2.1561E-04
6.3537E-01 5.2748E-05 1.8671E-04
6.3651E-01 5.7501E-05 1.6041E-04
6.3764E-01 4.4434E-05 2.1433E-04
6.3877E-01 4.5586E-05 1.8787E-04
6.3990E-01 4.2236E-05 1.9449E-04
6.4104E-01 2.7577E-05 2.0090E-04
6.4217E-01 6.4655E-05 1.7898E-04
6.4330E-01 4.1871E-05 1.9152E-04
6.4443E-01 3.1659E-05 2.4174E-04
6.4557E-01 4.4707E-05 2.0714E-04
6.4670E-01 4.0467E-05 1.8556E-04
6.4783E-01 4.5387E-05 2.1104E-04
6.4896E-01 4.7266E-05 2.2363E-04
6.5010E-01 3.7952E-05 2.0556E-04
6.5123E-01 2.6249E-05 2.0930E-04
6.5236E-01 2.4799E-05 2.0135E-04
6.5350E-01 3.6691E-05 2.5969E-04
6.5463E-01 5.3101E-05 2.1796E-04
6.5576E-01 4.2531E-05 2.4070E-04
6.5689E-01 2.0559E-05 2.1800E-04
6.5802E-01 2.9224E-05 1.6976E-04
6.5916E-01 1.6835E-05 1.6890E-04
6.6029E-01 2.5846E-05 2.3022E-04
6.6142E-01 3.7825E-05 2.0570E-04
6.6256E-01 2.6608E-05 2.0318E-04
6.6369E-01 1.3294E-05 2.3760E-04
6.6482E-01 3.7719E-05 1.9343E-04
6.6595E-01 2.9023E-05 2.2463E-04
6.6709E-01 4.0409E-05 2.3615E-04
6.6822E-01 3.5018E-05 1.9350E-04
6.6935E-01 3.8055E-05 2.1556E-04
6.7048E-01 5.0572E-05 2.3900E-04
6.7162E-01 2.9403E-05 2.5352E-04
6.7275E-01 2.0586E-05 2.4147E-04
6.7388E-01 3.3711E-05 2.1109E-04
6.7501E-01 3.3639E-05 2.1807E-04
6.7615E-01 1.4346E-05 2.0224E-04
6.7728E-01 1.5293E-05 2.1702E-04
6.7841E-01 2.7026E-05 2.4881E-04
6.7954E-01 7.0088E-06 1.9532E-04
6.8068E-01 3.3435E-05 2.5224E-04
6.8181E-01 3.8610E-05 2.6119E-04
6.8294E-01 4.4835E-05 2.7354E-04
6.8407E-01 5.2925E-05 2.6148E-04
6.8521E-01 3.2090E-05 2.2397E-04
6.8634E-01 3.1322E-05 2.5945E-04
6.8747E-01 4.8226E-05 2.7395E-04
6.8861E-01 2.9487E-05 3.2105E-04
6.8974E-01 2.3874E-05 2.6404E-04

scattering data in 65% sucrose
         q            I(q)       sigmaI(q)
4.5444E-02 2.3582E-04 8.4313E-05
4.5979E-02 2.3446E-04 9.3047E-05
4.6514E-02 2.2919E-04 9.5283E-05
4.7048E-02 2.2229E-04 1.0900E-04
4.7583E-02 2.2186E-04 9.8749E-05
4.8117E-02 2.2599E-04 9.0002E-05
4.8652E-02 2.3154E-04 9.1285E-05
4.9187E-02 2.2608E-04 8.6818E-05
4.9721E-02 2.2832E-04 8.3173E-05
5.0256E-02 2.2461E-04 8.2269E-05
5.0791E-02 2.1991E-04 8.1818E-05
5.1325E-02 2.2195E-04 8.1854E-05
5.1860E-02 2.2257E-04 8.5391E-05
5.2395E-02 2.1673E-04 8.0959E-05
5.2929E-02 2.1860E-04 7.3692E-05
5.3464E-02 2.1828E-04 6.3974E-05
5.3998E-02 2.1480E-04 8.5883E-05
5.4533E-02 2.0857E-04 7.3379E-05
5.5068E-02 2.0279E-04 7.9237E-05
5.5602E-02 2.0899E-04 6.6680E-05
5.6137E-02 2.1127E-04 7.6894E-05
5.6672E-02 2.0943E-04 7.4318E-05
5.7206E-02 2.0592E-04 9.0449E-05
5.7741E-02 2.0760E-04 7.3473E-05
5.8276E-02 2.0688E-04 7.3365E-05
5.8810E-02 2.0392E-04 8.5758E-05
5.9345E-02 2.0173E-04 9.0628E-05
5.9879E-02 2.0000E-04 8.8267E-05
6.0414E-02 1.9941E-04 7.3504E-05
6.0949E-02 1.9133E-04 7.4394E-05
6.1483E-02 1.9069E-04 7.1818E-05
6.2018E-02 1.9141E-04 6.8424E-05
6.2553E-02 1.8475E-04 7.1420E-05
6.3087E-02 1.8958E-04 7.2757E-05
6.3622E-02 1.9017E-04 6.4251E-05
6.4157E-02 1.8440E-04 7.4841E-05
6.4691E-02 1.8541E-04 8.4300E-05
6.5226E-02 1.8335E-04 7.1116E-05
6.5760E-02 1.7698E-04 8.0087E-05
6.6295E-02 1.8090E-04 7.3432E-05
6.6830E-02 1.8388E-04 7.8629E-05
6.7364E-02 1.7912E-04 6.8079E-05
6.7899E-02 1.8217E-04 7.7578E-05
6.8434E-02 1.7303E-04 8.6330E-05
6.8968E-02 1.7835E-04 7.6192E-05
6.9503E-02 1.7952E-04 8.1862E-05
7.0038E-02 1.7476E-04 7.6062E-05
7.0572E-02 1.7289E-04 7.9899E-05
7.1107E-02 1.6863E-04 7.0315E-05
7.1642E-02 1.6868E-04 6.5025E-05
7.2176E-02 1.7070E-04 7.7341E-05
7.2711E-02 1.6828E-04 7.1179E-05
7.3245E-02 1.6775E-04 7.8862E-05
7.3780E-02 1.6400E-04 7.5999E-05
7.4315E-02 1.5950E-04 6.7248E-05
7.4849E-02 1.5786E-04 5.7498E-05
7.5384E-02 1.6188E-04 6.1868E-05
7.5919E-02 1.5707E-04 6.4926E-05
7.6453E-02 1.5795E-04 7.2677E-05
7.6988E-02 1.5921E-04 6.4953E-05
7.7523E-02 1.5511E-04 6.1622E-05
7.8057E-02 1.5619E-04 6.7985E-05
7.8592E-02 1.5562E-04 6.6375E-05
7.9126E-02 1.5570E-04 8.2184E-05
7.9661E-02 1.4990E-04 6.8571E-05
8.0196E-02 1.4909E-04 6.7328E-05
8.0730E-02 1.4867E-04 7.8079E-05
8.1265E-02 1.4736E-04 7.1156E-05
8.1800E-02 1.4804E-04 7.9063E-05
8.2334E-02 1.4592E-04 6.3804E-05
8.2869E-02 1.3962E-04 6.6742E-05
8.3404E-02 1.4330E-04 7.0494E-05
8.3938E-02 1.4049E-04 7.4246E-05
8.4473E-02 1.3757E-04 6.6769E-05
8.5007E-02 1.4080E-04 6.3057E-05
8.5542E-02 1.4183E-04 6.7234E-05
8.6077E-02 1.3665E-04 7.5838E-05
8.6611E-02 1.3391E-04 6.9841E-05
8.7146E-02 1.3713E-04 7.3839E-05
8.7681E-02 1.3433E-04 7.0105E-05
8.8215E-02 1.3263E-04 6.0347E-05
8.8750E-02 1.3436E-04 6.9828E-05
8.9285E-02 1.3697E-04 6.7104E-05
8.9819E-02 1.2957E-04 8.4090E-05
9.0354E-02 1.3119E-04 7.4712E-05
9.0888E-02 1.3272E-04 7.6724E-05
9.1423E-02 1.3257E-04 6.8647E-05
9.1958E-02 1.2712E-04 5.6412E-05
9.2492E-02 1.3068E-04 6.7829E-05
9.3027E-02 1.2353E-04 6.8137E-05
9.3562E-02 1.1918E-04 7.2297E-05
9.4096E-02 1.1870E-04 6.6885E-05
9.4631E-02 1.2388E-04 6.5369E-05
9.5166E-02 1.2765E-04 6.4859E-05
9.5700E-02 1.2240E-04 7.3392E-05
9.6235E-02 1.2213E-04 6.5056E-05
9.6769E-02 1.2148E-04 7.0642E-05
9.7304E-02 1.1476E-04 7.5731E-05
9.7839E-02 1.1632E-04 6.7409E-05
9.8373E-02 1.1746E-04 7.4613E-05
9.8908E-02 1.1598E-04 6.4841E-05
9.9443E-02 1.1645E-04 6.7180E-05
9.9977E-02 1.1549E-04 7.4720E-05
1.0051E-01 1.1335E-04 8.1482E-05
1.0105E-01 1.1338E-04 8.2037E-05
1.0158E-01 1.1223E-04 7.2113E-05
1.0212E-01 1.1396E-04 6.9452E-05
1.0265E-01 1.1084E-04 7.4211E-05
1.0318E-01 1.1225E-04 6.6729E-05
1.0372E-01 1.1158E-04 6.6308E-05
1.0425E-01 1.0858E-04 6.0647E-05
1.0479E-01 1.0305E-04 6.0347E-05
1.0532E-01 1.0503E-04 5.9515E-05
1.0586E-01 1.0610E-04 5.7471E-05
1.0639E-01 1.0808E-04 5.4328E-05
1.0693E-01 1.0802E-04 6.2646E-05
1.0746E-01 1.0734E-04 6.3755E-05
1.0800E-01 1.0239E-04 6.5749E-05
1.0853E-01 1.0520E-04 6.9233E-05
1.0907E-01 1.0430E-04 6.3330E-05
1.0960E-01 9.9770E-05 6.3030E-05
1.1013E-01 1.0341E-04 8.2019E-05
1.1067E-01 1.0358E-04 6.6255E-05
1.1120E-01 1.0093E-04 5.3469E-05
1.1174E-01 1.0502E-04 4.8272E-05
1.1227E-01 1.0547E-04 6.4148E-05
1.1281E-01 1.0256E-04 6.0029E-05
1.1334E-01 1.0237E-04 5.4140E-05
1.1388E-01 9.8125E-05 6.2391E-05
1.1441E-01 1.0035E-04 5.7440E-05
1.1495E-01 1.0249E-04 6.7037E-05
1.1548E-01 9.6346E-05 6.6295E-05
1.1602E-01 9.7942E-05 6.5360E-05
1.1655E-01 9.8085E-05 6.6402E-05
1.1709E-01 1.0219E-04 6.6170E-05
1.1762E-01 9.6746E-05 6.2583E-05
1.1815E-01 9.6449E-05 6.5834E-05
1.1869E-01 9.7519E-05 6.4569E-05
1.1922E-01 9.3736E-05 5.4802E-05
1.1976E-01 1.0077E-04 6.6702E-05
1.2029E-01 9.7626E-05 6.2055E-05
1.2083E-01 9.4764E-05 7.1035E-05
1.2136E-01 9.3179E-05 6.0463E-05
1.2190E-01 9.4557E-05 5.7972E-05
1.2243E-01 9.4545E-05 6.7449E-05
1.2297E-01 9.3835E-05 6.3965E-05
1.2350E-01 9.3613E-05 6.4801E-05
1.2404E-01 9.3018E-05 6.1501E-05
1.2457E-01 9.4337E-05 6.1277E-05
1.2510E-01 9.1902E-05 5.9336E-05
1.2564E-01 9.3583E-05 6.0673E-05
1.2618E-01 9.3218E-05 6.2181E-05
1.2671E-01 9.5039E-05 5.7704E-05
1.2724E-01 9.1862E-05 5.8420E-05
1.2778E-01 9.0769E-05 5.3205E-05
1.2831E-01 9.1591E-05 5.6725E-05
1.2885E-01 9.1667E-05 6.4596E-05
1.2938E-01 9.1365E-05 5.7203E-05
1.2992E-01 9.1765E-05 5.1398E-05
1.3045E-01 9.0820E-05 5.0307E-05
1.3099E-01 9.3845E-05 5.5857E-05
1.3152E-01 9.0897E-05 6.5727E-05
1.3206E-01 9.4092E-05 5.8174E-05
1.3259E-01 9.2028E-05 5.9860E-05
1.3312E-01 9.5647E-05 7.5306E-05
1.3366E-01 9.3087E-05 6.9542E-05
1.3419E-01 9.5572E-05 6.7820E-05
1.3473E-01 9.2240E-05 6.2279E-05
1.3526E-01 9.3865E-05 6.0450E-05
1.3580E-01 9.5682E-05 5.6210E-05
1.3633E-01 9.3542E-05 5.5812E-05
1.3687E-01 9.2215E-05 5.9654E-05
1.3740E-01 8.9582E-05 5.3836E-05
1.3794E-01 8.5382E-05 5.8518E-05
1.3847E-01 8.8047E-05 6.0025E-05
1.3901E-01 8.9807E-05 5.7825E-05
1.3954E-01 9.0561E-05 5.3451E-05
1.4008E-01 8.8547E-05 5.8996E-05
1.4061E-01 8.9964E-05 6.0991E-05
1.4114E-01 9.0600E-05 6.3012E-05
1.4168E-01 8.9748E-05 4.1193E-05
1.4221E-01 9.3483E-05 5.7373E-05
1.4275E-01 9.4257E-05 5.4234E-05
1.4328E-01 9.4573E-05 5.0057E-05
1.4382E-01 9.2854E-05 5.6586E-05
1.4435E-01 9.1080E-05 5.8639E-05
1.4489E-01 9.2225E-05 5.4860E-05
1.4542E-01 9.4750E-05 4.6805E-05
1.4596E-01 9.4428E-05 4.2587E-05
1.4649E-01 9.5543E-05 5.0549E-05
1.4702E-01 9.3076E-05 5.7185E-05
1.4756E-01 9.4874E-05 4.9569E-05
1.4810E-01 9.1723E-05 5.2624E-05
1.4863E-01 9.2134E-05 6.2498E-05
1.4916E-01 9.4924E-05 5.6005E-05
1.4970E-01 9.2710E-05 5.5513E-05
1.5023E-01 9.0279E-05 5.5566E-05
1.5077E-01 9.1181E-05 6.9117E-05
1.5130E-01 9.4546E-05 7.2851E-05
1.5184E-01 9.5288E-05 6.1004E-05
1.5237E-01 9.6167E-05 6.1429E-05
1.5291E-01 9.3774E-05 5.0236E-05
1.5344E-01 9.1596E-05 6.1170E-05
1.5398E-01 9.1471E-05 5.4788E-05
1.5451E-01 9.3954E-05 6.0347E-05
1.5504E-01 9.3836E-05 5.9712E-05
1.5558E-01 9.1427E-05 5.6886E-05
1.5611E-01 9.5017E-05 5.6344E-05
1.5665E-01 9.8388E-05 4.8970E-05
1.5718E-01 9.6900E-05 5.9757E-05
1.5772E-01 9.7596E-05 6.6103E-05
1.5825E-01 9.9875E-05 5.8084E-05
1.5879E-01 9.6573E-05 5.0956E-05
1.5932E-01 9.5972E-05 5.5186E-05
1.5986E-01 9.5021E-05 5.4158E-05
1.6039E-01 9.3056E-05 5.6801E-05
1.6093E-01 9.3589E-05 5.7556E-05
1.6146E-01 9.6242E-05 5.3639E-05
1.6200E-01 9.4802E-05 5.2145E-05
1.6253E-01 9.6801E-05 5.5486E-05
1.6306E-01 9.8543E-05 5.8643E-05
1.6360E-01 9.5540E-05 5.8831E-05
1.6413E-01 1.0029E-04 5.9417E-05
1.6467E-01 9.9088E-05 5.3523E-05
1.6520E-01 9.9974E-05 5.2150E-05
1.6574E-01 9.7954E-05 5.4332E-05
1.6627E-01 9.7960E-05 4.7002E-05
1.6681E-01 9.7805E-05 5.4748E-05
1.6734E-01 1.0058E-04 5.6090E-05
1.6788E-01 9.8128E-05 4.9489E-05
1.6841E-01 9.8095E-05 5.0893E-05
1.6895E-01 1.0139E-04 4.3706E-05
1.6948E-01 1.0018E-04 5.0544E-05
1.7001E-01 9.7365E-05 5.2695E-05
1.7055E-01 9.9161E-05 4.9001E-05
1.7108E-01 9.9664E-05 4.1738E-05
1.7162E-01 9.8202E-05 4.4851E-05
1.7215E-01 9.8981E-05 5.4202E-05
1.7269E-01 9.9023E-05 6.0351E-05
1.7322E-01 1.0139E-04 5.2150E-05
1.7376E-01 1.0217E-04 4.3943E-05
1.7429E-01 9.9725E-05 4.9690E-05
1.7483E-01 9.9058E-05 5.0486E-05
1.7536E-01 1.0031E-04 5.4032E-05
1.7590E-01 9.9984E-05 4.8746E-05
1.7643E-01 1.0148E-04 5.1671E-05
1.7697E-01 1.0040E-04 5.8880E-05
1.7750E-01 9.8818E-05 5.3965E-05
1.7803E-01 1.0190E-04 4.3463E-05
1.7857E-01 1.0115E-04 4.9386E-05
1.7910E-01 1.0348E-04 5.5356E-05
1.7964E-01 1.0308E-04 5.0611E-05
1.8017E-01 1.0282E-04 5.7154E-05
1.8071E-01 1.0377E-04 5.1582E-05
1.8124E-01 1.0176E-04 4.5146E-05
1.8178E-01 9.9694E-05 5.4198E-05
1.8231E-01 1.0219E-04 5.8795E-05
1.8285E-01 1.0235E-04 5.7928E-05
1.8338E-01 1.0363E-04 4.8075E-05
1.8391E-01 9.9887E-05 5.1899E-05
1.8445E-01 1.0154E-04 4.6161E-05
1.8499E-01 1.0133E-04 4.7897E-05
1.8552E-01 1.0317E-04 4.6546E-05
1.8605E-01 1.0366E-04 4.9435E-05
1.8659E-01 1.0460E-04 5.9636E-05
1.8712E-01 1.0460E-04 5.5991E-05
1.8766E-01 1.0481E-04 5.4090E-05
1.8819E-01 1.0451E-04 4.9001E-05
1.8873E-01 1.0654E-04 5.0432E-05
1.8926E-01 1.0454E-04 4.7333E-05
1.8980E-01 1.0583E-04 5.1215E-05
1.9033E-01 1.0931E-04 5.3988E-05
1.9087E-01 1.0506E-04 5.0499E-05
1.9140E-01 1.0393E-04 6.1349E-05
1.9193E-01 1.0266E-04 5.2105E-05
1.9247E-01 1.0236E-04 4.4353E-05
1.9300E-01 1.0599E-04 4.5593E-05
1.9354E-01 1.0255E-04 4.8277E-05
1.9407E-01 1.0375E-04 6.0955E-05
1.9461E-01 1.0732E-04 5.6362E-05
1.9514E-01 1.0487E-04 4.4824E-05
1.9568E-01 1.0492E-04 5.3809E-05
1.9621E-01 1.0746E-04 6.1063E-05
1.9675E-01 1.0756E-04 5.4828E-05
1.9728E-01 1.0521E-04 5.3630E-05
1.9782E-01 1.0616E-04 5.4524E-05
1.9835E-01 1.0625E-04 4.5155E-05
1.9889E-01 1.0503E-04 4.5580E-05
1.9942E-01 1.0676E-04 5.2463E-05
1.9995E-01 1.0633E-04 5.6707E-05
2.0049E-01 1.0599E-04 4.8456E-05
2.0102E-01 1.1016E-04 4.5611E-05
2.0156E-01 1.0422E-04 5.5352E-05
2.0209E-01 1.0525E-04 4.8894E-05
2.0263E-01 1.0570E-04 5.0544E-05
2.0316E-01 1.0715E-04 5.4426E-05
2.0370E-01 1.0826E-04 5.4909E-05
2.0423E-01 1.0373E-04 5.8451E-05
2.0477E-01 1.0401E-04 4.2114E-05
2.0530E-01 1.0563E-04 5.1550E-05
2.0584E-01 1.0599E-04 5.3446E-05
2.0637E-01 1.0333E-04 6.0826E-05
2.0691E-01 1.0627E-04 5.7691E-05
2.0744E-01 1.0656E-04 5.3353E-05
2.0797E-01 1.0387E-04 5.1251E-05
2.0851E-01 1.0327E-04 5.1045E-05
2.0904E-01 1.0524E-04 5.3760E-05
2.0958E-01 1.0463E-04 4.3132E-05
2.1011E-01 1.0547E-04 4.4967E-05
2.1065E-01 1.0406E-04 4.2029E-05
2.1118E-01 1.0086E-04 4.9507E-05
2.1172E-01 1.0115E-04 5.0777E-05
2.1225E-01 1.0300E-04 5.1537E-05
2.1279E-01 1.0378E-04 4.9533E-05
2.1332E-01 1.0412E-04 5.5633E-05
2.1385E-01 1.0207E-04 5.5969E-05
2.1439E-01 1.0523E-04 5.5799E-05
2.1493E-01 1.0601E-04 5.4332E-05
2.1546E-01 1.0390E-04 4.6461E-05
2.1599E-01 1.0404E-04 4.4644E-05
2.1653E-01 1.0311E-04 5.0276E-05
2.1706E-01 1.0074E-04 5.4582E-05
2.1760E-01 1.0243E-04 5.5929E-05
2.1813E-01 1.0532E-04 5.0777E-05
2.1867E-01 1.0504E-04 5.2762E-05
2.1920E-01 1.0327E-04 5.2507E-05
2.1974E-01 1.0406E-04 5.1000E-05
2.2027E-01 1.0169E-04 5.8388E-05
2.2081E-01 1.0241E-04 5.5209E-05
2.2134E-01 1.0479E-04 5.2691E-05
2.2187E-01 1.0691E-04 5.3384E-05
2.2241E-01 1.0363E-04 4.9086E-05
2.2294E-01 1.0178E-04 4.7785E-05
2.2348E-01 1.0088E-04 5.0352E-05
2.2401E-01 1.0699E-04 5.6845E-05
2.2455E-01 1.0628E-04 5.0790E-05
2.2508E-01 1.0198E-04 5.2033E-05
2.2562E-01 1.0205E-04 4.9176E-05
2.2615E-01 1.0515E-04 4.1609E-05
2.2669E-01 1.0247E-04 4.7427E-05
2.2722E-01 9.7808E-05 5.4319E-05
2.2776E-01 9.7125E-05 5.3057E-05
2.2829E-01 1.0109E-04 6.3661E-05
2.2883E-01 1.0143E-04 5.3214E-05
2.2936E-01 1.0327E-04 5.6067E-05
2.2989E-01 1.0337E-04 5.2516E-05


  Entry H atom name         Submitted Coord H atom name
    1    H1   ALA   1           H        ALA   1  -4.418   2.195 -22.608
    2    HA   ALA   1           HA       ALA   1  -4.721   3.739 -20.116
    3    HB1  ALA   1           HB1      ALA   1  -4.815   1.549 -19.408
    4    HB2  ALA   1           HB2      ALA   1  -3.092   1.893 -19.254
    5    HB3  ALA   1           HB3      ALA   1  -3.689   0.988 -20.645
    6    H    ASP   2           H        ASP   2  -2.667   4.334 -19.041
    7    HA   ASP   2           HA       ASP   2  -0.565   4.940 -21.018
    8    HB2  ASP   2           HB2      ASP   2  -1.620   6.628 -18.747
    9    HB3  ASP   2           HB3      ASP   2  -0.106   6.976 -19.577
   10    H    GLN   3           H        GLN   3   1.472   4.386 -20.526
   11    HA   GLN   3           HA       GLN   3   1.983   2.699 -18.300
   12    HB2  GLN   3           HB2      GLN   3   3.919   4.021 -20.210
   13    HB3  GLN   3           HB3      GLN   3   4.321   2.727 -19.089
   14    HG2  GLN   3           HG2      GLN   3   2.266   2.470 -21.268
   15    HG3  GLN   3           HG3      GLN   3   3.959   2.012 -21.451
   16   HE21  GLN   3          HE21      GLN   3   1.314   0.517 -21.391
   17   HE22  GLN   3          HE22      GLN   3   1.597  -0.781 -20.287
   18    H    LEU   4           H        LEU   4   3.049   3.072 -16.405
   19    HA   LEU   4           HA       LEU   4   2.906   5.617 -15.250
   20    HB2  LEU   4           HB2      LEU   4   4.593   3.257 -14.411
   21    HB3  LEU   4           HB3      LEU   4   4.230   4.650 -13.410
   22    HG   LEU   4           HG       LEU   4   2.226   2.638 -14.435
   23   HD11  LEU   4          HD11      LEU   4   3.666   1.772 -12.659
   24   HD12  LEU   4          HD12      LEU   4   2.009   1.996 -12.098
   25   HD13  LEU   4          HD13      LEU   4   3.256   3.159 -11.650
   26   HD21  LEU   4          HD21      LEU   4   1.945   5.241 -13.005
   27   HD22  LEU   4          HD22      LEU   4   0.812   3.933 -12.663
   28   HD23  LEU   4          HD23      LEU   4   0.967   4.558 -14.305
   29    H    THR   5           H        THR   5   4.367   7.232 -14.919
   30    HA   THR   5           HA       THR   5   6.747   7.180 -16.616
   31    HB   THR   5           HB       THR   5   6.888   9.577 -16.425
   32    HG1  THR   5           HG1      THR   5   6.369  10.474 -14.561
   33   HG21  THR   5          HG21      THR   5   4.940   8.840 -17.784
   34   HG22  THR   5          HG22      THR   5   4.640  10.403 -16.950
   35   HG23  THR   5          HG23      THR   5   3.926   8.887 -16.303
   36    H    GLU   6           H        GLU   6   8.846   7.968 -15.752
   37    HA   GLU   6           HA       GLU   6   9.489   6.514 -13.421
   38    HB2  GLU   6           HB2      GLU   6  11.732   7.245 -13.687
   39    HB3  GLU   6           HB3      GLU   6  11.076   6.995 -15.297
   40    HG2  GLU   6           HG2      GLU   6  10.673   9.447 -15.432
   41    HG3  GLU   6           HG3      GLU   6  11.528   9.614 -13.899
   42    H    GLU   7           H        GLU   7   8.555   9.826 -13.897
   43    HA   GLU   7           HA       GLU   7   9.469  10.767 -11.354
   44    HB2  GLU   7           HB2      GLU   7   7.439  11.852 -13.304
   45    HB3  GLU   7           HB3      GLU   7   7.825  12.651 -11.788
   46    HG2  GLU   7           HG2      GLU   7   9.130  13.762 -13.336
   47    HG3  GLU   7           HG3      GLU   7  10.248  12.616 -12.605
   48    H    GLN   8           H        GLN   8   6.462   9.402 -12.609
   49    HA   GLN   8           HA       GLN   8   5.005   9.758 -10.196
   50    HB2  GLN   8           HB2      GLN   8   4.616   7.909 -12.543
   51    HB3  GLN   8           HB3      GLN   8   3.539   7.904 -11.156
   52    HG2  GLN   8           HG2      GLN   8   2.978  10.245 -11.574
   53    HG3  GLN   8           HG3      GLN   8   4.068  10.258 -12.962
   54   HE21  GLN   8          HE21      GLN   8   0.905  10.138 -12.169
   55   HE22  GLN   8          HE22      GLN   8   0.277   9.223 -13.499
   56    H    ILE   9           H        ILE   9   7.001   7.090 -11.471
   57    HA   ILE   9           HA       ILE   9   6.402   5.235  -9.435
   58    HB   ILE   9           HB       ILE   9   8.939   5.504 -11.064
   59   HG12  ILE   9          HG12      ILE   9   6.593   3.589 -11.367
   60   HG13  ILE   9          HG13      ILE   9   6.750   5.089 -12.290
   61   HG21  ILE   9          HG21      ILE   9   9.356   4.227  -9.014
   62   HG22  ILE   9          HG22      ILE   9   9.373   3.158 -10.457
   63   HG23  ILE   9          HG23      ILE   9   7.938   3.187  -9.378
   64   HD11  ILE   9          HD11      ILE   9   8.889   4.263 -13.296
   65   HD12  ILE   9          HD12      ILE   9   7.522   3.145 -13.624
   66   HD13  ILE   9          HD13      ILE   9   8.730   2.740 -12.358
   67    H    ALA  10           H        ALA  10   8.870   7.756  -9.633
   68    HA   ALA  10           HA       ALA  10  10.195   7.161  -7.209
   69    HB1  ALA  10           HB1      ALA  10   9.913   9.901  -8.404
   70    HB2  ALA  10           HB2      ALA  10  10.997   8.671  -9.055
   71    HB3  ALA  10           HB3      ALA  10  11.228   9.272  -7.413
   72    H    GLU  11           H        GLU  11   7.448   9.323  -7.927
   73    HA   GLU  11           HA       GLU  11   7.171  10.387  -5.326
   74    HB2  GLU  11           HB2      GLU  11   6.051  11.402  -7.274
   75    HB3  GLU  11           HB3      GLU  11   5.044   9.972  -7.450
   76    HG2  GLU  11           HG2      GLU  11   4.032  10.414  -5.273
   77    HG3  GLU  11           HG3      GLU  11   5.043  11.847  -5.094
   78    H    PHE  12           H        PHE  12   5.774   7.549  -6.922
   79    HA   PHE  12           HA       PHE  12   4.146   6.916  -4.680
   80    HB2  PHE  12           HB2      PHE  12   4.943   5.181  -7.016
   81    HB3  PHE  12           HB3      PHE  12   3.707   4.777  -5.830
   82    HD1  PHE  12           HD2      PHE  12   2.415   7.461  -5.537
   83    HD2  PHE  12           HD1      PHE  12   3.706   5.327  -8.986
   84    HE1  PHE  12           HE2      PHE  12   0.734   8.641  -6.892
   85    HE2  PHE  12           HE1      PHE  12   2.028   6.503 -10.346
   86    HZ   PHE  12           HZ       PHE  12   0.539   8.162  -9.300
   87    H    LYS  13           H        LYS  13   7.415   6.108  -5.573
   88    HA   LYS  13           HA       LYS  13   7.758   3.949  -3.737
   89    HB2  LYS  13           HB2      LYS  13   9.382   4.543  -5.582
   90    HB3  LYS  13           HB3      LYS  13   9.867   5.936  -4.628
   91    HG2  LYS  13           HG2      LYS  13  10.609   4.392  -2.812
   92    HG3  LYS  13           HG3      LYS  13  10.211   3.024  -3.857
   93    HD2  LYS  13           HD2      LYS  13  11.786   4.024  -5.571
   94    HD3  LYS  13           HD3      LYS  13  12.297   5.162  -4.328
   95    HE2  LYS  13           HE2      LYS  13  13.018   3.268  -2.925
   96    HE3  LYS  13           HE3      LYS  13  12.544   2.155  -4.209
   97    HZ1  LYS  13           HZ1      LYS  13  14.171   3.203  -5.628
   98    HZ2  LYS  13           HZ2      LYS  13  14.892   2.633  -4.279
   99    HZ3  LYS  13           HZ3      LYS  13  14.610   4.233  -4.440
  100    H    GLU  14           H        GLU  14   8.092   7.479  -3.543
  101    HA   GLU  14           HA       GLU  14   9.019   7.458  -0.868
  102    HB2  GLU  14           HB2      GLU  14   9.259   9.370  -2.491
  103    HB3  GLU  14           HB3      GLU  14   7.553   9.719  -2.244
  104    HG2  GLU  14           HG2      GLU  14   7.897  10.652  -0.269
  105    HG3  GLU  14           HG3      GLU  14   9.147   9.507   0.220
  106    H    ALA  15           H        ALA  15   5.776   7.614  -2.284
  107    HA   ALA  15           HA       ALA  15   4.366   7.962   0.145
  108    HB1  ALA  15           HB1      ALA  15   3.572   8.018  -2.347
  109    HB2  ALA  15           HB2      ALA  15   2.471   7.599  -1.031
  110    HB3  ALA  15           HB3      ALA  15   3.180   6.332  -2.027
  111    H    PHE  16           H        PHE  16   5.418   5.006  -1.568
  112    HA   PHE  16           HA       PHE  16   4.173   3.108   0.059
  113    HB2  PHE  16           HB2      PHE  16   5.303   2.614  -2.091
  114    HB3  PHE  16           HB3      PHE  16   6.859   2.926  -1.333
  115    HD1  PHE  16           HD1      PHE  16   4.075   0.587  -1.604
  116    HD2  PHE  16           HD2      PHE  16   7.870   1.294   0.159
  117    HE1  PHE  16           HE1      PHE  16   4.228  -1.814  -1.031
  118    HE2  PHE  16           HE2      PHE  16   8.044  -1.096   0.777
  119    HZ   PHE  16           HZ       PHE  16   6.216  -2.672   0.208
  120    H    SER  17           H        SER  17   7.241   4.805   0.404
  121    HA   SER  17           HA       SER  17   8.337   3.325   2.484
  122    HB2  SER  17           HB2      SER  17   9.534   5.052   1.085
  123    HB3  SER  17           HB3      SER  17   8.745   6.300   2.050
  124    HG   SER  17           HG       SER  17   9.722   5.195   3.909
  125    H    LEU  18           H        LEU  18   5.946   5.908   2.584
  126    HA   LEU  18           HA       LEU  18   6.157   6.355   5.354
  127    HB2  LEU  18           HB2      LEU  18   4.938   7.781   3.460
  128    HB3  LEU  18           HB3      LEU  18   3.621   6.784   3.992
  129    HG   LEU  18           HG       LEU  18   4.702   7.372   6.411
  130   HD11  LEU  18          HD11      LEU  18   5.350   9.654   4.695
  131   HD12  LEU  18          HD12      LEU  18   6.227   8.898   6.014
  132   HD13  LEU  18          HD13      LEU  18   4.855   9.946   6.361
  133   HD21  LEU  18          HD21      LEU  18   2.371   8.848   5.257
  134   HD22  LEU  18          HD22      LEU  18   2.852   8.826   6.936
  135   HD23  LEU  18          HD23      LEU  18   2.354   7.337   6.141
  136    H    PHE  19           H        PHE  19   4.317   3.997   3.509
  137    HA   PHE  19           HA       PHE  19   2.848   3.037   5.804
  138    HB2  PHE  19           HB2      PHE  19   3.137   2.203   2.946
  139    HB3  PHE  19           HB3      PHE  19   2.491   1.057   4.106
  140    HD1  PHE  19           HD1      PHE  19   0.660   2.068   5.677
  141    HD2  PHE  19           HD2      PHE  19   1.782   3.373   1.826
  142    HE1  PHE  19           HE1      PHE  19  -1.550   3.097   5.382
  143    HE2  PHE  19           HE2      PHE  19  -0.340   4.381   1.554
  144    HZ   PHE  19           HZ       PHE  19  -2.000   4.295   3.318
  145    H    ASP  20           H        ASP  20   5.714   2.079   4.005
  146    HA   ASP  20           HA       ASP  20   6.044  -0.363   5.541
  147    HB2  ASP  20           HB2      ASP  20   6.557  -0.256   3.129
  148    HB3  ASP  20           HB3      ASP  20   7.809   0.938   3.456
  149    H    LYS  21           H        LYS  21   6.159   1.036   7.550
  150    HA   LYS  21           HA       LYS  21   8.236   2.803   8.017
  151    HB2  LYS  21           HB2      LYS  21   6.477   1.258   9.896
  152    HB3  LYS  21           HB3      LYS  21   7.676   2.407  10.468
  153    HG2  LYS  21           HG2      LYS  21   6.579   4.202   9.285
  154    HG3  LYS  21           HG3      LYS  21   5.428   3.068   8.578
  155    HD2  LYS  21           HD2      LYS  21   4.416   2.639  10.698
  156    HD3  LYS  21           HD3      LYS  21   5.715   3.464  11.560
  157    HE2  LYS  21           HE2      LYS  21   3.749   4.880  11.499
  158    HE3  LYS  21           HE3      LYS  21   5.031   5.595  10.537
  159    HZ1  LYS  21           HZ1      LYS  21   3.895   4.831   8.573
  160    HZ2  LYS  21           HZ2      LYS  21   2.897   5.764   9.467
  161    HZ3  LYS  21           HZ3      LYS  21   2.715   4.141   9.465
  162    H    ASP  22           H        ASP  22   8.255  -0.681   8.323
  163    HA   ASP  22           HA       ASP  22  10.780  -0.461   9.758
  164    HB2  ASP  22           HB2      ASP  22  10.744  -2.862  10.103
  165    HB3  ASP  22           HB3      ASP  22   9.246  -2.116  10.640
  166    H    GLY  23           H        GLY  23   9.996  -0.232   6.667
  167    HA2  GLY  23           HA2      GLY  23  11.178  -0.254   4.745
  168    HA3  GLY  23           HA3      GLY  23  12.607  -0.359   5.748
  169    H    ASP  24           H        ASP  24  10.241  -2.930   5.854
  170    HA   ASP  24           HA       ASP  24  12.268  -4.678   4.763
  171    HB2  ASP  24           HB2      ASP  24  11.271  -6.496   5.787
  172    HB3  ASP  24           HB3      ASP  24  10.969  -5.182   6.915
  173    H    GLY  25           H        GLY  25  10.215  -2.885   3.249
  174    HA2  GLY  25           HA2      GLY  25   9.741  -2.888   1.022
  175    HA3  GLY  25           HA3      GLY  25  10.333  -4.533   0.935
  176    H    THR  26           H        THR  26   7.934  -4.298   3.300
  177    HA   THR  26           HA       THR  26   5.837  -4.781   1.297
  178    HB   THR  26           HB       THR  26   5.032  -6.833   2.365
  179    HG1  THR  26           HG1      THR  26   7.121  -6.317   4.262
  180   HG21  THR  26          HG21      THR  26   6.963  -7.166   0.829
  181   HG22  THR  26          HG22      THR  26   6.923  -8.366   2.165
  182   HG23  THR  26          HG23      THR  26   8.065  -6.982   2.235
  183    H    ILE  27           H        ILE  27   3.734  -4.416   2.064
  184    HA   ILE  27           HA       ILE  27   3.633  -2.876   4.578
  185    HB   ILE  27           HB       ILE  27   2.002  -2.783   2.084
  186   HG12  ILE  27          HG12      ILE  27   3.375  -0.633   3.667
  187   HG13  ILE  27          HG13      ILE  27   4.016  -1.426   2.233
  188   HG21  ILE  27          HG21      ILE  27   0.373  -2.806   3.996
  189   HG22  ILE  27          HG22      ILE  27   0.313  -1.370   2.968
  190   HG23  ILE  27          HG23      ILE  27   1.112  -1.301   4.546
  191   HD11  ILE  27          HD11      ILE  27   2.050  -0.570   0.970
  192   HD12  ILE  27          HD12      ILE  27   3.132   0.680   1.582
  193   HD13  ILE  27          HD13      ILE  27   1.605   0.357   2.403
  194    H    THR  28           H        THR  28   2.722  -3.952   6.237
  195    HA   THR  28           HA       THR  28   1.152  -6.391   5.741
  196    HB   THR  28           HB       THR  28   1.500  -6.814   8.157
  197    HG1  THR  28           HG1      THR  28   2.466  -5.261   9.405
  198   HG21  THR  28          HG21      THR  28   3.340  -7.438   6.587
  199   HG22  THR  28          HG22      THR  28   3.947  -6.947   8.205
  200   HG23  THR  28          HG23      THR  28   4.045  -5.803   6.824
  201    H    THR  29           H        THR  29  -0.651  -6.750   7.499
  202    HA   THR  29           HA       THR  29  -2.553  -4.675   7.165
  203    HB   THR  29           HB       THR  29  -3.945  -5.941   8.844
  204    HG1  THR  29           HG1      THR  29  -3.060  -7.735   9.813
  205   HG21  THR  29          HG21      THR  29  -3.947  -6.584   6.435
  206   HG22  THR  29          HG22      THR  29  -4.152  -8.005   7.514
  207   HG23  THR  29          HG23      THR  29  -2.558  -7.676   6.754
  208    H    LYS  30           H        LYS  30  -0.227  -5.473   9.673
  209    HA   LYS  30           HA       LYS  30  -1.250  -3.766  11.665
  210    HB2  LYS  30           HB2      LYS  30   0.423  -5.412  12.264
  211    HB3  LYS  30           HB3      LYS  30   1.584  -4.706  11.151
  212    HG2  LYS  30           HG2      LYS  30   1.793  -2.737  12.523
  213    HG3  LYS  30           HG3      LYS  30   0.491  -3.288  13.581
  214    HD2  LYS  30           HD2      LYS  30   1.881  -5.272  14.169
  215    HD3  LYS  30           HD3      LYS  30   3.195  -4.592  13.209
  216    HE2  LYS  30           HE2      LYS  30   3.149  -2.579  14.681
  217    HE3  LYS  30           HE3      LYS  30   1.944  -3.386  15.683
  218    HZ1  LYS  30           HZ1      LYS  30   3.560  -5.110  16.122
  219    HZ2  LYS  30           HZ2      LYS  30   4.156  -3.658  16.572
  220    HZ3  LYS  30           HZ3      LYS  30   4.676  -4.362  15.194
  221    H    GLU  31           H        GLU  31   1.141  -3.284   9.111
  222    HA   GLU  31           HA       GLU  31   1.678  -0.599   9.789
  223    HB2  GLU  31           HB2      GLU  31   2.170  -2.200   7.297
  224    HB3  GLU  31           HB3      GLU  31   2.591  -0.492   7.398
  225    HG2  GLU  31           HG2      GLU  31   4.086  -0.891   9.215
  226    HG3  GLU  31           HG3      GLU  31   3.547  -2.561   9.360
  227    H    LEU  32           H        LEU  32  -0.629  -2.004   7.482
  228    HA   LEU  32           HA       LEU  32  -1.477   0.501   6.430
  229    HB2  LEU  32           HB2      LEU  32  -1.930  -1.627   5.305
  230    HB3  LEU  32           HB3      LEU  32  -2.952  -2.126   6.639
  231    HG   LEU  32           HG       LEU  32  -4.441  -0.156   6.096
  232   HD11  LEU  32          HD11      LEU  32  -3.055  -0.156   3.438
  233   HD12  LEU  32          HD12      LEU  32  -2.577   0.947   4.729
  234   HD13  LEU  32          HD13      LEU  32  -4.217   1.003   4.083
  235   HD21  LEU  32          HD21      LEU  32  -5.715  -1.468   4.752
  236   HD22  LEU  32          HD22      LEU  32  -4.535  -2.681   5.249
  237   HD23  LEU  32          HD23      LEU  32  -4.370  -1.878   3.688
  238    H    GLY  33           H        GLY  33  -2.582  -1.536   9.109
  239    HA2  GLY  33           HA2      GLY  33  -4.860  -0.025   9.783
  240    HA3  GLY  33           HA3      GLY  33  -3.991  -1.099  10.871
  241    H    THR  34           H        THR  34  -1.483   0.247  10.763
  242    HA   THR  34           HA       THR  34  -1.845   2.087  12.843
  243    HB   THR  34           HB       THR  34   0.565   1.652  10.992
  244    HG1  THR  34           HG1      THR  34   0.629  -0.082  12.298
  245   HG21  THR  34          HG21      THR  34   0.599   3.873  12.121
  246   HG22  THR  34          HG22      THR  34   1.856   2.751  12.745
  247   HG23  THR  34          HG23      THR  34   0.353   3.031  13.688
  248    H    VAL  35           H        VAL  35  -1.235   2.493   9.369
  249    HA   VAL  35           HA       VAL  35  -1.192   5.328   9.517
  250    HB   VAL  35           HB       VAL  35  -1.644   3.514   7.166
  251   HG11  VAL  35          HG11      VAL  35  -2.885   5.608   6.739
  252   HG12  VAL  35          HG12      VAL  35  -1.422   5.529   5.701
  253   HG13  VAL  35          HG13      VAL  35  -1.427   6.565   7.168
  254   HG21  VAL  35          HG21      VAL  35   0.687   5.279   7.984
  255   HG22  VAL  35          HG22      VAL  35   0.604   4.287   6.489
  256   HG23  VAL  35          HG23      VAL  35   0.619   3.488   8.097
  257    H    MET  36           H        MET  36  -3.812   3.039   8.752
  258    HA   MET  36           HA       MET  36  -5.724   4.968   8.066
  259    HB2  MET  36           HB2      MET  36  -5.957   2.201   9.225
  260    HB3  MET  36           HB3      MET  36  -7.372   3.170   8.823
  261    HG2  MET  36           HG2      MET  36  -6.442   3.403   6.546
  262    HG3  MET  36           HG3      MET  36  -5.224   2.210   7.003
  263    HE1  MET  36           HE1      MET  36  -8.921   2.928   7.601
  264    HE2  MET  36           HE2      MET  36  -9.674   1.337   7.494
  265    HE3  MET  36           HE3      MET  36  -9.389   2.279   6.028
  266    H    ARG  37           H        ARG  37  -5.003   3.472  11.222
  267    HA   ARG  37           HA       ARG  37  -7.083   4.829  12.556
  268    HB2  ARG  37           HB2      ARG  37  -4.519   3.624  13.571
  269    HB3  ARG  37           HB3      ARG  37  -5.718   4.354  14.634
  270    HG2  ARG  37           HG2      ARG  37  -7.365   2.778  13.973
  271    HG3  ARG  37           HG3      ARG  37  -6.321   2.136  12.712
  272    HD2  ARG  37           HD2      ARG  37  -4.733   1.505  14.617
  273    HD3  ARG  37           HD3      ARG  37  -6.085   1.828  15.686
  274    HE   ARG  37           HE       ARG  37  -7.315   0.046  14.657
  275   HH11  ARG  37          HH11      ARG  37  -3.951   0.261  13.718
  276   HH12  ARG  37          HH12      ARG  37  -3.876  -1.377  13.160
  277   HH21  ARG  37          HH21      ARG  37  -7.212  -2.100  13.949
  278   HH22  ARG  37          HH22      ARG  37  -5.736  -2.724  13.292
  279    H    SER  38           H        SER  38  -3.778   5.716  11.766
  280    HA   SER  38           HA       SER  38  -3.690   8.003  13.433
  281    HB2  SER  38           HB2      SER  38  -1.630   8.466  12.521
  282    HB3  SER  38           HB3      SER  38  -1.762   6.758  12.101
  283    HG   SER  38           HG       SER  38  -1.252   7.696  10.214
  284    H    LEU  39           H        LEU  39  -5.311   7.387  10.499
  285    HA   LEU  39           HA       LEU  39  -5.696  10.234   9.985
  286    HB2  LEU  39           HB2      LEU  39  -6.647   7.996   8.226
  287    HB3  LEU  39           HB3      LEU  39  -6.412   9.684   7.808
  288    HG   LEU  39           HG       LEU  39  -4.079   8.047   8.679
  289   HD11  LEU  39          HD11      LEU  39  -5.154   6.694   6.979
  290   HD12  LEU  39          HD12      LEU  39  -3.662   7.403   6.362
  291   HD13  LEU  39          HD13      LEU  39  -5.220   8.086   5.899
  292   HD21  LEU  39          HD21      LEU  39  -4.043  10.103   6.543
  293   HD22  LEU  39          HD22      LEU  39  -2.796   9.655   7.706
  294   HD23  LEU  39          HD23      LEU  39  -4.179  10.613   8.224
  295    H    GLY  40           H        GLY  40  -7.015   8.466  12.118
  296    HA2  GLY  40           HA2      GLY  40  -8.937   8.866  13.306
  297    HA3  GLY  40           HA3      GLY  40  -9.567   9.761  11.950
  298    H    GLN  41           H        GLN  41  -8.696   6.765  10.832
  299    HA   GLN  41           HA       GLN  41 -11.476   5.945  10.769
  300    HB2  GLN  41           HB2      GLN  41  -9.104   4.462   9.637
  301    HB3  GLN  41           HB3      GLN  41 -10.796   4.286   9.187
  302    HG2  GLN  41           HG2      GLN  41  -9.036   6.669   8.690
  303    HG3  GLN  41           HG3      GLN  41  -9.641   5.523   7.493
  304   HE21  GLN  41          HE21      GLN  41 -10.055   8.561   8.674
  305   HE22  GLN  41          HE22      GLN  41 -11.738   8.789   8.336
  306    H    ASN  42           H        ASN  42 -12.066   3.669  11.244
  307    HA   ASN  42           HA       ASN  42 -10.460   2.581  13.463
  308    HB2  ASN  42           HB2      ASN  42 -13.456   2.919  13.412
  309    HB3  ASN  42           HB3      ASN  42 -12.529   2.151  14.699
  310   HD21  ASN  42          HD21      ASN  42 -13.512   5.125  13.219
  311   HD22  ASN  42          HD22      ASN  42 -12.810   6.187  14.392
  312    HA   PRO  43           HA       PRO  43 -11.933  -0.552  10.303
  313    HB2  PRO  43           HB2      PRO  43  -9.448  -1.587   9.790
  314    HB3  PRO  43           HB3      PRO  43 -10.242  -0.341   8.830
  315    HG2  PRO  43           HG2      PRO  43  -8.067  -0.082  10.826
  316    HG3  PRO  43           HG3      PRO  43  -8.386   0.877   9.375
  317    HD2  PRO  43           HD2      PRO  43  -8.919   1.675  11.954
  318    HD3  PRO  43           HD3      PRO  43  -9.701   2.335  10.503
  319    H    THR  44           H        THR  44 -12.020  -2.801  10.578
  320    HA   THR  44           HA       THR  44 -11.018  -3.796  13.151
  321    HB   THR  44           HB       THR  44 -12.477  -5.792  12.636
  322    HG1  THR  44           HG1      THR  44 -13.569  -5.850  10.738
  323   HG21  THR  44          HG21      THR  44 -13.472  -3.855  13.881
  324   HG22  THR  44          HG22      THR  44 -14.673  -4.677  12.828
  325   HG23  THR  44          HG23      THR  44 -13.936  -3.123  12.308
  326    H    GLU  45           H        GLU  45  -9.967  -5.990  13.045
  327    HA   GLU  45           HA       GLU  45  -7.828  -6.020  11.241
  328    HB2  GLU  45           HB2      GLU  45  -7.790  -7.216  13.403
  329    HB3  GLU  45           HB3      GLU  45  -8.978  -8.360  12.785
  330    HG2  GLU  45           HG2      GLU  45  -6.834  -9.372  12.626
  331    HG3  GLU  45           HG3      GLU  45  -7.368  -8.972  10.996
  332    H    ALA  46           H        ALA  46 -10.986  -7.598  11.096
  333    HA   ALA  46           HA       ALA  46 -10.490  -9.237   8.847
  334    HB1  ALA  46           HB1      ALA  46 -13.005  -8.039   9.986
  335    HB2  ALA  46           HB2      ALA  46 -12.453  -9.712  10.067
  336    HB3  ALA  46           HB3      ALA  46 -13.015  -9.042   8.535
  337    H    GLU  47           H        GLU  47 -11.751  -5.895   9.174
  338    HA   GLU  47           HA       GLU  47 -12.069  -5.534   6.380
  339    HB2  GLU  47           HB2      GLU  47 -13.020  -3.946   8.014
  340    HB3  GLU  47           HB3      GLU  47 -11.392  -3.396   8.408
  341    HG2  GLU  47           HG2      GLU  47 -11.061  -2.573   6.170
  342    HG3  GLU  47           HG3      GLU  47 -12.597  -3.263   5.645
  343    H    LEU  48           H        LEU  48  -9.236  -4.964   8.499
  344    HA   LEU  48           HA       LEU  48  -7.727  -3.755   6.455
  345    HB2  LEU  48           HB2      LEU  48  -6.718  -5.323   8.832
  346    HB3  LEU  48           HB3      LEU  48  -5.698  -4.379   7.767
  347    HG   LEU  48           HG       LEU  48  -7.959  -3.133   9.322
  348   HD11  LEU  48          HD11      LEU  48  -6.416  -4.220  10.898
  349   HD12  LEU  48          HD12      LEU  48  -6.284  -2.430  10.958
  350   HD13  LEU  48          HD13      LEU  48  -5.039  -3.394  10.093
  351   HD21  LEU  48          HD21      LEU  48  -5.435  -2.082   8.029
  352   HD22  LEU  48          HD22      LEU  48  -6.656  -1.105   8.912
  353   HD23  LEU  48          HD23      LEU  48  -7.102  -1.928   7.379
  354    H    GLN  49           H        GLN  49  -8.093  -7.181   7.333
  355    HA   GLN  49           HA       GLN  49  -6.066  -8.061   5.592
  356    HB2  GLN  49           HB2      GLN  49  -7.105  -9.455   7.415
  357    HB3  GLN  49           HB3      GLN  49  -8.516  -9.656   6.372
  358    HG2  GLN  49           HG2      GLN  49  -7.010 -11.528   6.175
  359    HG3  GLN  49           HG3      GLN  49  -7.125 -10.631   4.659
  360   HE21  GLN  49          HE21      GLN  49  -5.248 -10.365   3.638
  361   HE22  GLN  49          HE22      GLN  49  -3.706 -10.186   4.406
  362    H    ASP  50           H        ASP  50  -9.508  -7.523   5.131
  363    HA   ASP  50           HA       ASP  50  -9.742  -8.572   2.517
  364    HB2  ASP  50           HB2      ASP  50 -11.577  -7.857   4.168
  365    HB3  ASP  50           HB3      ASP  50 -11.298  -6.224   3.577
  366    H    MET  51           H        MET  51  -8.903  -5.336   3.744
  367    HA   MET  51           HA       MET  51  -8.841  -4.014   1.237
  368    HB2  MET  51           HB2      MET  51  -7.346  -3.459   3.795
  369    HB3  MET  51           HB3      MET  51  -7.218  -2.427   2.376
  370    HG2  MET  51           HG2      MET  51  -9.534  -1.903   2.466
  371    HG3  MET  51           HG3      MET  51  -9.805  -3.092   3.732
  372    HE1  MET  51           HE1      MET  51  -7.007  -0.180   3.240
  373    HE2  MET  51           HE2      MET  51  -7.756   1.063   4.236
  374    HE3  MET  51           HE3      MET  51  -8.560   0.508   2.782
  375    H    ILE  52           H        ILE  52  -6.225  -5.622   3.053
  376    HA   ILE  52           HA       ILE  52  -4.210  -5.172   1.116
  377    HB   ILE  52           HB       ILE  52  -4.520  -7.437   3.096
  378   HG12  ILE  52          HG12      ILE  52  -4.505  -5.236   4.163
  379   HG13  ILE  52          HG13      ILE  52  -3.009  -6.098   4.505
  380   HG21  ILE  52          HG21      ILE  52  -2.255  -6.609   1.324
  381   HG22  ILE  52          HG22      ILE  52  -2.873  -8.224   1.668
  382   HG23  ILE  52          HG23      ILE  52  -1.929  -7.364   2.884
  383   HD11  ILE  52          HD11      ILE  52  -1.970  -4.798   2.617
  384   HD12  ILE  52          HD12      ILE  52  -2.415  -3.867   4.047
  385   HD13  ILE  52          HD13      ILE  52  -3.433  -3.814   2.607
  386    H    ASN  53           H        ASN  53  -6.455  -7.909   1.639
  387    HA   ASN  53           HA       ASN  53  -5.451  -9.624  -0.256
  388    HB2  ASN  53           HB2      ASN  53  -8.336  -9.275   0.577
  389    HB3  ASN  53           HB3      ASN  53  -7.769 -10.590  -0.443
  390   HD21  ASN  53          HD21      ASN  53  -9.069 -11.286   1.837
  391   HD22  ASN  53          HD22      ASN  53  -7.964 -11.905   3.018
  392    H    GLU  54           H        GLU  54  -7.635  -6.905  -0.787
  393    HA   GLU  54           HA       GLU  54  -8.371  -7.541  -3.389
  394    HB2  GLU  54           HB2      GLU  54  -9.136  -5.631  -1.744
  395    HB3  GLU  54           HB3      GLU  54  -7.942  -4.709  -2.632
  396    HG2  GLU  54           HG2      GLU  54  -9.911  -4.248  -3.745
  397    HG3  GLU  54           HG3      GLU  54  -9.150  -5.496  -4.734
  398    H    VAL  55           H        VAL  55  -5.448  -5.915  -2.247
  399    HA   VAL  55           HA       VAL  55  -4.655  -5.525  -5.042
  400    HB   VAL  55           HB       VAL  55  -4.658  -3.526  -3.689
  401   HG11  VAL  55          HG11      VAL  55  -2.988  -5.215  -1.875
  402   HG12  VAL  55          HG12      VAL  55  -4.361  -4.177  -1.488
  403   HG13  VAL  55          HG13      VAL  55  -2.793  -3.462  -1.866
  404   HG21  VAL  55          HG21      VAL  55  -1.824  -4.384  -4.249
  405   HG22  VAL  55          HG22      VAL  55  -2.401  -2.735  -4.069
  406   HG23  VAL  55          HG23      VAL  55  -2.939  -3.710  -5.438
  407    H    ASP  56           H        ASP  56  -4.185  -7.737  -2.653
  408    HA   ASP  56           HA       ASP  56  -1.385  -8.220  -2.951
  409    HB2  ASP  56           HB2      ASP  56  -2.549  -8.630  -0.869
  410    HB3  ASP  56           HB3      ASP  56  -3.554  -9.847  -1.650
  411    H    ALA  57           H        ALA  57  -1.245  -8.538  -5.276
  412    HA   ALA  57           HA       ALA  57  -2.666 -10.402  -6.715
  413    HB1  ALA  57           HB1      ALA  57  -0.968  -8.545  -7.439
  414    HB2  ALA  57           HB2      ALA  57  -1.318  -9.923  -8.482
  415    HB3  ALA  57           HB3      ALA  57   0.151  -9.906  -7.506
  416    H    ASP  58           H        ASP  58   0.205 -11.015  -4.759
  417    HA   ASP  58           HA       ASP  58   0.163 -13.700  -5.928
  418    HB2  ASP  58           HB2      ASP  58   2.394 -14.091  -5.127
  419    HB3  ASP  58           HB3      ASP  58   2.294 -12.648  -6.126
  420    H    GLY  59           H        GLY  59  -1.401 -12.516  -3.478
  421    HA2  GLY  59           HA2      GLY  59  -2.491 -13.528  -1.743
  422    HA3  GLY  59           HA3      GLY  59  -1.993 -15.043  -2.456
  423    H    ASN  60           H        ASN  60   0.512 -12.873  -1.346
  424    HA   ASN  60           HA       ASN  60   1.117 -14.836   0.703
  425    HB2  ASN  60           HB2      ASN  60   3.300 -13.949   0.870
  426    HB3  ASN  60           HB3      ASN  60   2.896 -14.074  -0.839
  427   HD21  ASN  60          HD21      ASN  60   4.985 -12.508  -0.051
  428   HD22  ASN  60          HD22      ASN  60   4.576 -10.843  -0.296
  429    H    GLY  61           H        GLY  61  -0.796 -12.311   0.786
  430    HA2  GLY  61           HA2      GLY  61  -1.892 -11.519   2.630
  431    HA3  GLY  61           HA3      GLY  61  -0.628 -12.181   3.641
  432    H    THR  62           H        THR  62   0.995 -10.327   1.446
  433    HA   THR  62           HA       THR  62   0.502  -7.811   2.890
  434    HB   THR  62           HB       THR  62   2.919  -7.336   3.185
  435    HG1  THR  62           HG1      THR  62   3.520  -8.868   1.368
  436   HG21  THR  62          HG21      THR  62   1.710  -8.572   4.990
  437   HG22  THR  62          HG22      THR  62   3.439  -9.044   4.874
  438   HG23  THR  62          HG23      THR  62   2.168 -10.114   4.191
  439    H    ILE  63           H        ILE  63   1.650  -5.896   1.799
  440    HA   ILE  63           HA       ILE  63   1.261  -6.258  -1.101
  441    HB   ILE  63           HB       ILE  63   1.270  -3.739   0.561
  442   HG12  ILE  63          HG12      ILE  63  -1.078  -5.151  -0.704
  443   HG13  ILE  63          HG13      ILE  63  -0.629  -5.331   0.989
  444   HG21  ILE  63          HG21      ILE  63   0.121  -2.821  -1.531
  445   HG22  ILE  63          HG22      ILE  63   0.765  -4.240  -2.355
  446   HG23  ILE  63          HG23      ILE  63   1.863  -3.079  -1.610
  447   HD11  ILE  63          HD11      ILE  63  -1.087  -3.039   1.427
  448   HD12  ILE  63          HD12      ILE  63  -2.466  -3.711   0.557
  449   HD13  ILE  63          HD13      ILE  63  -1.298  -2.696  -0.290
  450    H    ASP  64           H        ASP  64   3.070  -6.220  -2.372
  451    HA   ASP  64           HA       ASP  64   5.428  -4.930  -1.214
  452    HB2  ASP  64           HB2      ASP  64   6.854  -6.096  -2.752
  453    HB3  ASP  64           HB3      ASP  64   5.815  -7.238  -1.912
  454    H    PHE  65           H        PHE  65   6.954  -3.887  -3.036
  455    HA   PHE  65           HA       PHE  65   5.471  -1.597  -3.589
  456    HB2  PHE  65           HB2      PHE  65   7.890  -1.536  -3.242
  457    HB3  PHE  65           HB3      PHE  65   8.140  -2.297  -4.805
  458    HD1  PHE  65           HD1      PHE  65   5.896   0.496  -3.726
  459    HD2  PHE  65           HD2      PHE  65   9.116  -0.794  -6.195
  460    HE1  PHE  65           HE1      PHE  65   5.942   2.725  -4.843
  461    HE2  PHE  65           HE2      PHE  65   9.182   1.402  -7.293
  462    HZ   PHE  65           HZ       PHE  65   7.596   3.186  -6.626
  463    HA   PRO  66           HA       PRO  66   5.322  -3.041  -8.246
  464    HB2  PRO  66           HB2      PRO  66   5.045  -5.945  -7.590
  465    HB3  PRO  66           HB3      PRO  66   5.747  -5.174  -9.020
  466    HG2  PRO  66           HG2      PRO  66   7.352  -6.180  -7.156
  467    HG3  PRO  66           HG3      PRO  66   7.735  -4.615  -7.902
  468    HD2  PRO  66           HD2      PRO  66   6.544  -5.198  -5.222
  469    HD3  PRO  66           HD3      PRO  66   7.746  -3.980  -5.681
  470    H    GLU  67           H        GLU  67   3.634  -4.932  -5.673
  471    HA   GLU  67           HA       GLU  67   1.143  -4.895  -7.021
  472    HB2  GLU  67           HB2      GLU  67   1.868  -5.290  -4.121
  473    HB3  GLU  67           HB3      GLU  67   0.203  -5.357  -4.701
  474    HG2  GLU  67           HG2      GLU  67   0.630  -7.234  -6.058
  475    HG3  GLU  67           HG3      GLU  67   2.374  -7.028  -5.937
  476    H    PHE  68           H        PHE  68   2.681  -2.681  -4.775
  477    HA   PHE  68           HA       PHE  68   0.473  -1.000  -4.232
  478    HB2  PHE  68           HB2      PHE  68   2.614  -1.123  -2.948
  479    HB3  PHE  68           HB3      PHE  68   3.428  -0.332  -4.290
  480    HD1  PHE  68           HD1      PHE  68   0.961   0.112  -1.594
  481    HD2  PHE  68           HD2      PHE  68   3.325   1.997  -4.583
  482    HE1  PHE  68           HE1      PHE  68   0.502   2.322  -0.550
  483    HE2  PHE  68           HE2      PHE  68   2.870   4.198  -3.562
  484    HZ   PHE  68           HZ       PHE  68   1.465   4.367  -1.526
  485    H    LEU  69           H        LEU  69   3.006  -0.971  -6.714
  486    HA   LEU  69           HA       LEU  69   2.266   1.466  -7.901
  487    HB2  LEU  69           HB2      LEU  69   3.771  -0.907  -8.935
  488    HB3  LEU  69           HB3      LEU  69   3.422   0.472  -9.959
  489    HG   LEU  69           HG       LEU  69   5.053   0.496  -7.422
  490   HD11  LEU  69          HD11      LEU  69   6.219  -0.540  -9.303
  491   HD12  LEU  69          HD12      LEU  69   6.930   1.062  -8.910
  492   HD13  LEU  69          HD13      LEU  69   5.842   0.887 -10.328
  493   HD21  LEU  69          HD21      LEU  69   4.350   2.753  -9.314
  494   HD22  LEU  69          HD22      LEU  69   5.503   2.849  -7.940
  495   HD23  LEU  69          HD23      LEU  69   3.760   2.548  -7.630
  496    H    THR  70           H        THR  70   1.228  -1.857  -8.576
  497    HA   THR  70           HA       THR  70  -0.384  -1.235 -10.806
  498    HB   THR  70           HB       THR  70  -0.720  -3.443  -8.712
  499    HG1  THR  70           HG1      THR  70   1.169  -3.793  -9.828
  500   HG21  THR  70          HG21      THR  70  -2.777  -3.048 -10.084
  501   HG22  THR  70          HG22      THR  70  -1.974  -4.611 -10.452
  502   HG23  THR  70          HG23      THR  70  -1.766  -3.212 -11.559
  503    H    MET  71           H        MET  71  -0.984  -1.169  -7.327
  504    HA   MET  71           HA       MET  71  -3.742  -0.614  -7.494
  505    HB2  MET  71           HB2      MET  71  -2.767  -1.470  -5.465
  506    HB3  MET  71           HB3      MET  71  -1.722  -0.070  -5.318
  507    HG2  MET  71           HG2      MET  71  -4.679   0.336  -5.326
  508    HG3  MET  71           HG3      MET  71  -3.913  -0.307  -3.878
  509    HE1  MET  71           HE1      MET  71  -2.208   1.634  -2.191
  510    HE2  MET  71           HE2      MET  71  -1.114   2.329  -3.389
  511    HE3  MET  71           HE3      MET  71  -1.523   0.614  -3.455
  512    H    MET  72           H        MET  72  -0.859   1.488  -7.354
  513    HA   MET  72           HA       MET  72  -2.427   3.859  -7.108
  514    HB2  MET  72           HB2      MET  72   0.438   3.522  -7.985
  515    HB3  MET  72           HB3      MET  72  -0.339   5.084  -7.773
  516    HG2  MET  72           HG2      MET  72   0.043   3.007  -5.636
  517    HG3  MET  72           HG3      MET  72   1.022   4.453  -5.855
  518    HE1  MET  72           HE1      MET  72   0.684   6.516  -4.851
  519    HE2  MET  72           HE2      MET  72  -0.837   7.249  -4.343
  520    HE3  MET  72           HE3      MET  72  -0.524   6.964  -6.055
  521    H    ALA  73           H        ALA  73  -1.231   2.074  -9.879
  522    HA   ALA  73           HA       ALA  73  -1.777   4.074 -11.820
  523    HB1  ALA  73           HB1      ALA  73  -2.058   1.193 -12.516
  524    HB2  ALA  73           HB2      ALA  73  -0.477   1.783 -12.003
  525    HB3  ALA  73           HB3      ALA  73  -1.273   2.497 -13.406
  526    H    ARG  74           H        ARG  74  -3.633   1.426 -10.415
  527    HA   ARG  74           HA       ARG  74  -6.003   1.718 -11.902
  528    HB2  ARG  74           HB2      ARG  74  -5.390  -0.183 -10.386
  529    HB3  ARG  74           HB3      ARG  74  -5.721   0.867  -9.020
  530    HG2  ARG  74           HG2      ARG  74  -7.647  -0.312  -9.180
  531    HG3  ARG  74           HG3      ARG  74  -8.036   1.130 -10.111
  532    HD2  ARG  74           HD2      ARG  74  -6.876  -0.992 -11.740
  533    HD3  ARG  74           HD3      ARG  74  -8.372  -1.480 -10.939
  534    HE   ARG  74           HE       ARG  74  -9.046   0.922 -11.934
  535   HH11  ARG  74          HH11      ARG  74  -7.444  -1.815 -13.416
  536   HH12  ARG  74          HH12      ARG  74  -8.081  -1.479 -14.991
  537   HH21  ARG  74          HH21      ARG  74  -9.868   1.362 -13.961
  538   HH22  ARG  74          HH22      ARG  74  -9.470   0.343 -15.303
  539    H    LYS  75           H        LYS  75  -5.051   3.105  -8.730
  540    HA   LYS  75           HA       LYS  75  -7.365   4.570  -8.242
  541    HB2  LYS  75           HB2      LYS  75  -5.497   4.240  -6.632
  542    HB3  LYS  75           HB3      LYS  75  -4.540   5.393  -7.550
  543    HG2  LYS  75           HG2      LYS  75  -6.259   7.115  -7.090
  544    HG3  LYS  75           HG3      LYS  75  -7.104   5.951  -6.074
  545    HD2  LYS  75           HD2      LYS  75  -5.829   7.274  -4.587
  546    HD3  LYS  75           HD3      LYS  75  -4.932   5.765  -4.724
  547    HE2  LYS  75           HE2      LYS  75  -3.340   7.549  -4.809
  548    HE3  LYS  75           HE3      LYS  75  -3.478   6.897  -6.439
  549    HZ1  LYS  75           HZ1      LYS  75  -4.706   8.761  -7.105
  550    HZ2  LYS  75           HZ2      LYS  75  -3.472   9.377  -6.231
  551    HZ3  LYS  75           HZ3      LYS  75  -4.965   9.279  -5.578
  552    H    MET  76           H        MET  76  -4.462   5.550 -10.053
  553    HA   MET  76           HA       MET  76  -5.443   8.164 -10.659
  554    HB2  MET  76           HB2      MET  76  -3.017   7.499 -10.634
  555    HB3  MET  76           HB3      MET  76  -3.306   6.604 -12.120
  556    HG2  MET  76           HG2      MET  76  -4.085   9.466 -12.039
  557    HG3  MET  76           HG3      MET  76  -2.370   9.067 -12.130
  558    HE1  MET  76           HE1      MET  76  -3.999  10.289 -15.542
  559    HE2  MET  76           HE2      MET  76  -4.276  10.687 -13.846
  560    HE3  MET  76           HE3      MET  76  -5.450   9.708 -14.725
  561    H    LYS  77           H        LYS  77  -5.397   5.050 -12.326
  562    HA   LYS  77           HA       LYS  77  -6.365   5.952 -14.813
  563    HB2  LYS  77           HB2      LYS  77  -5.243   3.746 -14.332
  564    HB3  LYS  77           HB3      LYS  77  -6.769   3.198 -13.654
  565    HG2  LYS  77           HG2      LYS  77  -6.550   4.247 -16.457
  566    HG3  LYS  77           HG3      LYS  77  -6.262   2.554 -16.055
  567    HD2  LYS  77           HD2      LYS  77  -8.568   2.673 -14.901
  568    HD3  LYS  77           HD3      LYS  77  -8.799   4.137 -15.856
  569    HE2  LYS  77           HE2      LYS  77  -8.101   1.429 -16.981
  570    HE3  LYS  77           HE3      LYS  77  -9.721   2.123 -16.948
  571    HZ1  LYS  77           HZ1      LYS  77  -7.412   2.870 -18.593
  572    HZ2  LYS  77           HZ2      LYS  77  -8.517   4.077 -18.168
  573    HZ3  LYS  77           HZ3      LYS  77  -9.040   2.718 -19.027
  574    H    ASP  78           H        ASP  78  -8.142   4.411 -12.095
  575    HA   ASP  78           HA       ASP  78 -10.650   4.699 -13.423
  576    HB2  ASP  78           HB2      ASP  78 -11.675   3.941 -11.370
  577    HB3  ASP  78           HB3      ASP  78 -10.239   2.973 -11.676
  578    H    THR  79           H        THR  79 -11.595   6.565 -13.817
  579    HA   THR  79           HA       THR  79 -12.304   8.712 -13.630
  580    HB   THR  79           HB       THR  79 -12.070   8.069 -10.680
  581    HG1  THR  79           HG1      THR  79 -13.977   7.248 -10.918
  582   HG21  THR  79          HG21      THR  79 -12.677  10.593 -11.947
  583   HG22  THR  79          HG22      THR  79 -12.432  10.211 -10.243
  584   HG23  THR  79          HG23      THR  79 -14.023  10.000 -10.974
  585    H    ASP  80           H        ASP  80 -10.340   9.001 -10.700
  586    HA   ASP  80           HA       ASP  80  -7.883   9.683 -11.663
  587    HB2  ASP  80           HB2      ASP  80  -7.909  12.178 -11.699
  588    HB3  ASP  80           HB3      ASP  80  -8.827  11.466 -13.015
  589    H    SER  81           H        SER  81  -9.101   8.606  -9.271
  590    HA   SER  81           HA       SER  81  -8.987   8.731  -6.977
  591    HB2  SER  81           HB2      SER  81  -6.710  10.633  -7.036
  592    HB3  SER  81           HB3      SER  81  -6.832   9.052  -6.266
  593    HG   SER  81           HG       SER  81  -6.745   8.285  -8.591
  594    H    GLU  82           H        GLU  82  -7.832  11.248  -5.585
  595    HA   GLU  82           HA       GLU  82  -8.329  13.550  -5.459
  596    HB2  GLU  82           HB2      GLU  82  -9.876  13.410  -7.418
  597    HB3  GLU  82           HB3      GLU  82 -11.122  12.796  -6.336
  598    HG2  GLU  82           HG2      GLU  82  -9.799  15.343  -5.619
  599    HG3  GLU  82           HG3      GLU  82 -10.938  15.348  -6.964
  600    H    GLU  83           H        GLU  83 -10.689  11.048  -4.518
  601    HA   GLU  83           HA       GLU  83 -11.510  12.296  -2.105
  602    HB2  GLU  83           HB2      GLU  83 -11.376   9.344  -2.748
  603    HB3  GLU  83           HB3      GLU  83 -12.353  10.105  -1.504
  604    HG2  GLU  83           HG2      GLU  83 -13.840  11.002  -3.023
  605    HG3  GLU  83           HG3      GLU  83 -12.702  10.883  -4.361
  606    H    GLU  84           H        GLU  84  -8.890  10.098  -2.861
  607    HA   GLU  84           HA       GLU  84  -7.802   9.285  -0.504
  608    HB2  GLU  84           HB2      GLU  84  -7.233   9.219  -3.140
  609    HB3  GLU  84           HB3      GLU  84  -6.042  10.399  -2.615
  610    HG2  GLU  84           HG2      GLU  84  -5.415   8.763  -0.909
  611    HG3  GLU  84           HG3      GLU  84  -6.392   7.616  -1.740
  612    H    ILE  85           H        ILE  85  -7.175  12.247  -2.363
  613    HA   ILE  85           HA       ILE  85  -5.400  13.294  -0.452
  614    HB   ILE  85           HB       ILE  85  -6.521  15.048  -2.562
  615   HG12  ILE  85          HG12      ILE  85  -4.170  13.779  -3.584
  616   HG13  ILE  85          HG13      ILE  85  -5.335  12.537  -3.151
  617   HG21  ILE  85          HG21      ILE  85  -4.516  15.394  -0.702
  618   HG22  ILE  85          HG22      ILE  85  -4.884  16.423  -2.083
  619   HG23  ILE  85          HG23      ILE  85  -3.669  15.155  -2.230
  620   HD11  ILE  85          HD11      ILE  85  -6.809  14.494  -4.478
  621   HD12  ILE  85          HD12      ILE  85  -6.325  12.913  -5.091
  622   HD13  ILE  85          HD13      ILE  85  -5.311  14.324  -5.393
  623    H    ARG  86           H        ARG  86  -8.792  13.916  -1.135
  624    HA   ARG  86           HA       ARG  86  -9.032  16.114   0.629
  625    HB2  ARG  86           HB2      ARG  86 -11.010  14.133  -0.442
  626    HB3  ARG  86           HB3      ARG  86 -11.485  15.318   0.770
  627    HG2  ARG  86           HG2      ARG  86 -10.556  17.065  -0.756
  628    HG3  ARG  86           HG3      ARG  86 -10.435  15.803  -1.980
  629    HD2  ARG  86           HD2      ARG  86 -12.979  16.489  -0.556
  630    HD3  ARG  86           HD3      ARG  86 -12.487  17.212  -2.080
  631    HE   ARG  86           HE       ARG  86 -12.629  15.100  -3.148
  632   HH11  ARG  86          HH11      ARG  86 -13.721  15.138   0.146
  633   HH12  ARG  86          HH12      ARG  86 -14.594  13.648   0.003
  634   HH21  ARG  86          HH21      ARG  86 -13.728  13.175  -3.374
  635   HH22  ARG  86          HH22      ARG  86 -14.598  12.516  -2.028
  636    H    GLU  87           H        GLU  87  -9.471  12.601   1.210
  637    HA   GLU  87           HA       GLU  87 -10.198  13.025   3.921
  638    HB2  GLU  87           HB2      GLU  87  -9.142  10.557   2.578
  639    HB3  GLU  87           HB3      GLU  87  -9.748  10.572   4.221
  640    HG2  GLU  87           HG2      GLU  87 -11.862  11.596   3.252
  641    HG3  GLU  87           HG3      GLU  87 -11.232  11.171   1.668
  642    H    ALA  88           H        ALA  88  -7.056  12.670   2.336
  643    HA   ALA  88           HA       ALA  88  -5.532  12.374   4.721
  644    HB1  ALA  88           HB1      ALA  88  -4.789  12.143   2.238
  645    HB2  ALA  88           HB2      ALA  88  -3.635  12.722   3.443
  646    HB3  ALA  88           HB3      ALA  88  -4.456  13.867   2.386
  647    H    PHE  89           H        PHE  89  -6.508  15.271   2.878
  648    HA   PHE  89           HA       PHE  89  -5.182  17.172   4.439
  649    HB2  PHE  89           HB2      PHE  89  -6.384  17.699   2.307
  650    HB3  PHE  89           HB3      PHE  89  -7.915  17.492   3.153
  651    HD1  PHE  89           HD1      PHE  89  -4.859  19.537   2.985
  652    HD2  PHE  89           HD2      PHE  89  -8.826  19.238   4.474
  653    HE1  PHE  89           HE1      PHE  89  -4.774  21.896   3.682
  654    HE2  PHE  89           HE2      PHE  89  -8.752  21.621   5.188
  655    HZ   PHE  89           HZ       PHE  89  -6.707  22.959   4.794
  656    H    ARG  90           H        ARG  90  -8.407  15.702   4.851
  657    HA   ARG  90           HA       ARG  90  -9.114  17.226   7.093
  658    HB2  ARG  90           HB2      ARG  90 -10.069  14.561   6.140
  659    HB3  ARG  90           HB3      ARG  90 -10.693  15.305   7.609
  660    HG2  ARG  90           HG2      ARG  90 -11.366  17.238   6.361
  661    HG3  ARG  90           HG3      ARG  90 -10.709  16.528   4.889
  662    HD2  ARG  90           HD2      ARG  90 -12.295  14.575   5.430
  663    HD3  ARG  90           HD3      ARG  90 -13.118  15.737   6.462
  664    HE   ARG  90           HE       ARG  90 -13.224  17.177   4.372
  665   HH11  ARG  90          HH11      ARG  90 -13.172  13.668   4.270
  666   HH12  ARG  90          HH12      ARG  90 -14.048  13.576   2.778
  667   HH21  ARG  90          HH21      ARG  90 -14.359  17.049   2.424
  668   HH22  ARG  90          HH22      ARG  90 -14.724  15.506   1.727
  669    H    VAL  91           H        VAL  91  -7.141  14.368   6.920
  670    HA   VAL  91           HA       VAL  91  -7.158  13.664   9.673
  671    HB   VAL  91           HB       VAL  91  -5.472  12.262   9.204
  672   HG11  VAL  91          HG11      VAL  91  -6.160  12.850   6.368
  673   HG12  VAL  91          HG12      VAL  91  -7.195  11.970   7.476
  674   HG13  VAL  91          HG13      VAL  91  -5.619  11.332   7.042
  675   HG21  VAL  91          HG21      VAL  91  -4.123  14.201   7.347
  676   HG22  VAL  91          HG22      VAL  91  -3.589  12.559   7.629
  677   HG23  VAL  91          HG23      VAL  91  -3.608  13.721   8.952
  678    H    PHE  92           H        PHE  92  -5.049  15.788   7.766
  679    HA   PHE  92           HA       PHE  92  -3.374  16.548   9.925
  680    HB2  PHE  92           HB2      PHE  92  -3.858  17.712   7.186
  681    HB3  PHE  92           HB3      PHE  92  -2.771  18.485   8.327
  682    HD1  PHE  92           HD2      PHE  92  -3.283  15.572   6.172
  683    HD2  PHE  92           HD1      PHE  92  -0.631  17.556   8.819
  684    HE1  PHE  92           HE2      PHE  92  -1.451  14.130   5.393
  685    HE2  PHE  92           HE1      PHE  92   1.218  16.129   8.046
  686    HZ   PHE  92           HZ       PHE  92   0.809  14.410   6.331
  687    H    ASP  93           H        ASP  93  -6.203  18.052   8.430
  688    HA   ASP  93           HA       ASP  93  -6.013  20.430  10.033
  689    HB2  ASP  93           HB2      ASP  93  -6.936  20.533   7.765
  690    HB3  ASP  93           HB3      ASP  93  -8.238  19.441   8.232
  691    H    LYS  94           H        LYS  94  -5.959  19.344  12.081
  692    HA   LYS  94           HA       LYS  94  -7.844  17.571  12.999
  693    HB2  LYS  94           HB2      LYS  94  -6.181  19.481  14.630
  694    HB3  LYS  94           HB3      LYS  94  -7.043  18.096  15.277
  695    HG2  LYS  94           HG2      LYS  94  -4.782  18.018  13.297
  696    HG3  LYS  94           HG3      LYS  94  -4.694  17.611  15.013
  697    HD2  LYS  94           HD2      LYS  94  -6.411  15.825  14.591
  698    HD3  LYS  94           HD3      LYS  94  -6.259  16.164  12.869
  699    HE2  LYS  94           HE2      LYS  94  -3.825  15.632  13.075
  700    HE3  LYS  94           HE3      LYS  94  -4.125  15.100  14.722
  701    HZ1  LYS  94           HZ1      LYS  94  -5.712  13.487  13.777
  702    HZ2  LYS  94           HZ2      LYS  94  -4.182  13.219  13.275
  703    HZ3  LYS  94           HZ3      LYS  94  -5.259  13.921  12.270
  704    H    ASP  95           H        ASP  95  -7.958  21.105  13.297
  705    HA   ASP  95           HA       ASP  95 -10.365  20.790  14.881
  706    HB2  ASP  95           HB2      ASP  95 -10.353  23.173  15.261
  707    HB3  ASP  95           HB3      ASP  95  -8.776  22.476  15.614
  708    H    GLY  96           H        GLY  96  -9.818  20.725  11.694
  709    HA2  GLY  96           HA2      GLY  96 -11.196  20.671   9.910
  710    HA3  GLY  96           HA3      GLY  96 -12.531  20.809  11.024
  711    H    ASN  97           H        ASN  97 -10.201  23.390  10.899
  712    HA   ASN  97           HA       ASN  97 -12.331  25.091   9.997
  713    HB2  ASN  97           HB2      ASN  97 -11.127  26.921  10.818
  714    HB3  ASN  97           HB3      ASN  97 -10.821  25.610  11.950
  715   HD21  ASN  97          HD21      ASN  97  -9.205  27.946  11.721
  716   HD22  ASN  97          HD22      ASN  97  -7.634  27.463  11.177
  717    H    GLY  98           H        GLY  98 -10.228  23.395   8.181
  718    HA2  GLY  98           HA2      GLY  98 -10.171  23.644   5.832
  719    HA3  GLY  98           HA3      GLY  98 -10.523  25.347   6.027
  720    H    PHE  99           H        PHE  99  -8.114  24.762   8.169
  721    HA   PHE  99           HA       PHE  99  -5.993  25.150   6.167
  722    HB2  PHE  99           HB2      PHE  99  -6.450  26.789   8.682
  723    HB3  PHE  99           HB3      PHE  99  -4.992  26.865   7.703
  724    HD1  PHE  99           HD2      PHE  99  -5.184  27.654   5.319
  725    HD2  PHE  99           HD1      PHE  99  -8.327  28.035   8.165
  726    HE1  PHE  99           HE2      PHE  99  -6.236  29.401   3.914
  727    HE2  PHE  99           HE1      PHE  99  -9.385  29.783   6.778
  728    HZ   PHE  99           HZ       PHE  99  -8.351  30.482   4.644
  729    H    ILE 100           H        ILE 100  -4.053  24.153   6.700
  730    HA   ILE 100           HA       ILE 100  -4.040  22.642   9.248
  731    HB   ILE 100           HB       ILE 100  -1.978  22.520   7.048
  732   HG12  ILE 100          HG12      ILE 100  -4.182  20.508   7.465
  733   HG13  ILE 100          HG13      ILE 100  -4.321  21.830   6.307
  734   HG21  ILE 100          HG21      ILE 100  -1.100  21.705   9.074
  735   HG22  ILE 100          HG22      ILE 100  -1.530  20.286   8.118
  736   HG23  ILE 100          HG23      ILE 100  -2.577  20.811   9.436
  737   HD11  ILE 100          HD11      ILE 100  -3.285  20.581   4.809
  738   HD12  ILE 100          HD12      ILE 100  -3.050  19.302   6.001
  739   HD13  ILE 100          HD13      ILE 100  -1.844  20.580   5.828
  740    H    SER 101           H        SER 101  -3.119  23.731  10.884
  741    HA   SER 101           HA       SER 101  -1.333  25.983  10.433
  742    HB2  SER 101           HB2      SER 101  -1.491  26.274  12.848
  743    HB3  SER 101           HB3      SER 101  -3.113  25.963  12.212
  744    HG   SER 101           HG       SER 101  -2.284  24.678  14.136
  745    H    ALA 102           H        ALA 102   0.743  26.090  11.741
  746    HA   ALA 102           HA       ALA 102   2.453  23.906  11.184
  747    HB1  ALA 102           HB1      ALA 102   3.339  26.148  11.483
  748    HB2  ALA 102           HB2      ALA 102   4.079  25.054  12.652
  749    HB3  ALA 102           HB3      ALA 102   2.805  26.161  13.163
  750    H    ALA 103           H        ALA 103   0.639  24.845  14.063
  751    HA   ALA 103           HA       ALA 103   1.743  22.950  15.854
  752    HB1  ALA 103           HB1      ALA 103   0.509  24.562  16.938
  753    HB2  ALA 103           HB2      ALA 103  -0.606  23.196  16.949
  754    HB3  ALA 103           HB3      ALA 103  -0.808  24.490  15.768
  755    H    GLU 104           H        GLU 104  -1.065  22.812  13.668
  756    HA   GLU 104           HA       GLU 104  -1.899  20.240  14.503
  757    HB2  GLU 104           HB2      GLU 104  -2.404  21.895  12.045
  758    HB3  GLU 104           HB3      GLU 104  -2.981  20.232  12.126
  759    HG2  GLU 104           HG2      GLU 104  -4.309  20.705  14.051
  760    HG3  GLU 104           HG3      GLU 104  -3.598  22.309  14.213
  761    H    LEU 105           H        LEU 105   0.296  21.311  11.955
  762    HA   LEU 105           HA       LEU 105   0.708  18.782  10.789
  763    HB2  LEU 105           HB2      LEU 105   1.400  20.707   9.545
  764    HB3  LEU 105           HB3      LEU 105   2.374  21.310  10.873
  765    HG   LEU 105           HG       LEU 105   3.935  19.410  10.564
  766   HD11  LEU 105          HD11      LEU 105   1.840  18.445   8.866
  767   HD12  LEU 105          HD12      LEU 105   3.287  17.621   9.446
  768   HD13  LEU 105          HD13      LEU 105   3.347  18.565   7.958
  769   HD21  LEU 105          HD21      LEU 105   3.604  21.672   8.871
  770   HD22  LEU 105          HD22      LEU 105   4.218  20.334   7.904
  771   HD23  LEU 105          HD23      LEU 105   5.088  20.853   9.347
  772    H    ARG 106           H        ARG 106   2.427  20.552  13.360
  773    HA   ARG 106           HA       ARG 106   4.427  18.605  13.668
  774    HB2  ARG 106           HB2      ARG 106   4.510  20.938  14.570
  775    HB3  ARG 106           HB3      ARG 106   3.385  20.433  15.826
  776    HG2  ARG 106           HG2      ARG 106   4.977  18.797  16.623
  777    HG3  ARG 106           HG3      ARG 106   6.096  19.238  15.339
  778    HD2  ARG 106           HD2      ARG 106   5.758  21.634  16.444
  779    HD3  ARG 106           HD3      ARG 106   5.456  20.630  17.869
  780    HE   ARG 106           HE       ARG 106   7.656  19.465  17.095
  781   HH11  ARG 106          HH11      ARG 106   6.934  22.892  16.997
  782   HH12  ARG 106          HH12      ARG 106   8.598  23.366  17.091
  783   HH21  ARG 106          HH21      ARG 106   9.803  20.051  17.215
  784   HH22  ARG 106          HH22      ARG 106  10.251  21.725  17.216
  785    H    HIS 107           H        HIS 107   1.263  18.990  15.185
  786    HA   HIS 107           HA       HIS 107   1.491  16.970  17.125
  787    HB2  HIS 107           HB2      HIS 107  -0.320  18.575  17.202
  788    HB3  HIS 107           HB3      HIS 107  -0.945  18.000  15.661
  789    HD1  HIS 107           HD1      HIS 107  -0.443  16.785  19.208
  790    HD2  HIS 107           HD2      HIS 107  -2.784  15.989  15.872
  791    HE1  HIS 107           HE1      HIS 107  -2.144  15.096  19.970
  792    HE2  HIS 107           HE2      HIS 107  -3.477  14.545  17.907
  793    H    VAL 108           H        VAL 108   0.267  16.817  13.778
  794    HA   VAL 108           HA       VAL 108  -0.366  14.067  13.756
  795    HB   VAL 108           HB       VAL 108  -0.165  14.241  11.261
  796   HG11  VAL 108          HG11      VAL 108  -1.877  15.937  12.964
  797   HG12  VAL 108          HG12      VAL 108  -2.303  14.612  11.881
  798   HG13  VAL 108          HG13      VAL 108  -1.941  16.208  11.224
  799   HG21  VAL 108          HG21      VAL 108   0.457  17.119  11.822
  800   HG22  VAL 108          HG22      VAL 108   0.106  16.421  10.257
  801   HG23  VAL 108          HG23      VAL 108   1.564  15.953  11.105
  802    H    MET 109           H        MET 109   2.587  15.781  12.667
  803    HA   MET 109           HA       MET 109   3.883  13.426  11.876
  804    HB2  MET 109           HB2      MET 109   5.197  15.972  12.853
  805    HB3  MET 109           HB3      MET 109   5.952  14.716  11.875
  806    HG2  MET 109           HG2      MET 109   3.572  16.359  10.986
  807    HG3  MET 109           HG3      MET 109   5.233  16.726  10.561
  808    HE1  MET 109           HE1      MET 109   6.612  14.711   9.990
  809    HE2  MET 109           HE2      MET 109   6.417  14.884   8.245
  810    HE3  MET 109           HE3      MET 109   6.104  13.331   9.021
  811    H    THR 110           H        THR 110   3.881  15.080  15.042
  812    HA   THR 110           HA       THR 110   5.756  13.395  16.305
  813    HB   THR 110           HB       THR 110   3.432  14.948  17.523
  814    HG1  THR 110           HG1      THR 110   5.020  16.486  17.824
  815   HG21  THR 110          HG21      THR 110   4.269  13.133  19.075
  816   HG22  THR 110          HG22      THR 110   4.675  14.783  19.657
  817   HG23  THR 110          HG23      THR 110   5.932  13.776  18.860
  818    H    ASN 111           H        ASN 111   2.250  13.143  15.956
  819    HA   ASN 111           HA       ASN 111   1.956  10.807  17.533
  820    HB2  ASN 111           HB2      ASN 111   0.336  12.053  15.330
  821    HB3  ASN 111           HB3      ASN 111  -0.102  10.476  15.977
  822   HD21  ASN 111          HD21      ASN 111  -2.087  11.978  16.329
  823   HD22  ASN 111          HD22      ASN 111  -2.186  12.691  17.905
  824    H    LEU 112           H        LEU 112   2.772  11.328  14.109
  825    HA   LEU 112           HA       LEU 112   2.725   8.530  13.508
  826    HB2  LEU 112           HB2      LEU 112   3.835  10.879  12.002
  827    HB3  LEU 112           HB3      LEU 112   3.941   9.231  11.414
  828    HG   LEU 112           HG       LEU 112   1.337  10.618  12.043
  829   HD11  LEU 112          HD11      LEU 112   2.184  11.841  10.243
  830   HD12  LEU 112          HD12      LEU 112   1.158  10.619   9.492
  831   HD13  LEU 112          HD13      LEU 112   2.910  10.417   9.498
  832   HD21  LEU 112          HD21      LEU 112   1.032   8.283  12.150
  833   HD22  LEU 112          HD22      LEU 112   2.060   8.005  10.744
  834   HD23  LEU 112          HD23      LEU 112   0.480   8.762  10.545
  835    H    GLY 113           H        GLY 113   4.710  10.093  15.514
  836    HA2  GLY 113           HA2      GLY 113   6.544   9.240  16.581
  837    HA3  GLY 113           HA3      GLY 113   6.686   8.036  15.314
  838    H    GLU 114           H        GLU 114   6.438  11.146  14.034
  839    HA   GLU 114           HA       GLU 114   9.340  11.216  13.592
  840    HB2  GLU 114           HB2      GLU 114   7.054  12.623  12.174
  841    HB3  GLU 114           HB3      GLU 114   8.748  12.907  11.819
  842    HG2  GLU 114           HG2      GLU 114   7.300  10.290  11.473
  843    HG3  GLU 114           HG3      GLU 114   7.695  11.429  10.188
  844    H    LYS 115           H        LYS 115  10.135  12.248  15.404
  845    HA   LYS 115           HA       LYS 115   8.730  14.506  16.512
  846    HB2  LYS 115           HB2      LYS 115  11.434  13.378  17.282
  847    HB3  LYS 115           HB3      LYS 115  10.505  14.552  18.202
  848    HG2  LYS 115           HG2      LYS 115   8.728  12.856  18.527
  849    HG3  LYS 115           HG3      LYS 115   9.727  11.680  17.665
  850    HD2  LYS 115           HD2      LYS 115  11.519  12.036  19.367
  851    HD3  LYS 115           HD3      LYS 115  10.416  13.087  20.257
  852    HE2  LYS 115           HE2      LYS 115   8.828  11.185  20.452
  853    HE3  LYS 115           HE3      LYS 115  10.002  10.151  19.649
  854    HZ1  LYS 115           HZ1      LYS 115  11.486  10.517  21.502
  855    HZ2  LYS 115           HZ2      LYS 115  10.071   9.891  22.025
  856    HZ3  LYS 115           HZ3      LYS 115  10.392  11.477  22.243
  857    H    LEU 116           H        LEU 116   8.802  15.785  14.569
  858    HA   LEU 116           HA       LEU 116  11.175  16.592  13.349
  859    HB2  LEU 116           HB2      LEU 116   8.565  18.077  13.538
  860    HB3  LEU 116           HB3      LEU 116   9.844  18.420  12.397
  861    HG   LEU 116           HG       LEU 116   8.122  15.947  12.479
  862   HD11  LEU 116          HD11      LEU 116   7.017  18.000  11.650
  863   HD12  LEU 116          HD12      LEU 116   7.313  16.847  10.305
  864   HD13  LEU 116          HD13      LEU 116   8.382  18.275  10.515
  865   HD21  LEU 116          HD21      LEU 116  10.402  16.706  10.611
  866   HD22  LEU 116          HD22      LEU 116   9.325  15.280  10.435
  867   HD23  LEU 116          HD23      LEU 116  10.442  15.394  11.836
  868    H    THR 117           H        THR 117  12.471  18.404  13.485
  869    HA   THR 117           HA       THR 117  12.604  19.684  16.081
  870    HB   THR 117           HB       THR 117  14.594  20.847  15.201
  871    HG1  THR 117           HG1      THR 117  14.694  21.238  13.091
  872   HG21  THR 117          HG21      THR 117  14.932  18.405  15.691
  873   HG22  THR 117          HG22      THR 117  15.979  18.995  14.356
  874   HG23  THR 117          HG23      THR 117  14.501  18.045  13.985
  875    H    ASP 118           H        ASP 118  12.660  22.101  16.163
  876    HA   ASP 118           HA       ASP 118  10.296  23.223  15.192
  877    HB2  ASP 118           HB2      ASP 118  12.878  24.562  16.008
  878    HB3  ASP 118           HB3      ASP 118  11.390  25.438  15.668
  879    H    GLU 119           H        GLU 119  13.578  23.377  13.845
  880    HA   GLU 119           HA       GLU 119  13.039  25.144  11.732
  881    HB2  GLU 119           HB2      GLU 119  15.286  24.291  12.706
  882    HB3  GLU 119           HB3      GLU 119  15.101  22.963  11.577
  883    HG2  GLU 119           HG2      GLU 119  15.109  24.512   9.726
  884    HG3  GLU 119           HG3      GLU 119  15.223  25.868  10.846
  885    H    GLU 120           H        GLU 120  12.834  21.624  11.946
  886    HA   GLU 120           HA       GLU 120  12.391  21.178   9.187
  887    HB2  GLU 120           HB2      GLU 120  11.838  19.541  11.650
  888    HB3  GLU 120           HB3      GLU 120  11.375  18.972  10.046
  889    HG2  GLU 120           HG2      GLU 120  13.618  19.002   9.290
  890    HG3  GLU 120           HG3      GLU 120  14.157  19.880  10.713
  891    H    VAL 121           H        VAL 121  10.110  21.666  11.868
  892    HA   VAL 121           HA       VAL 121   7.752  21.269  10.364
  893    HB   VAL 121           HB       VAL 121   6.713  22.815  12.091
  894   HG11  VAL 121          HG11      VAL 121   8.071  20.234  12.718
  895   HG12  VAL 121          HG12      VAL 121   6.373  20.555  12.360
  896   HG13  VAL 121          HG13      VAL 121   7.058  21.053  13.908
  897   HG21  VAL 121          HG21      VAL 121   9.411  22.586  13.380
  898   HG22  VAL 121          HG22      VAL 121   7.936  23.126  14.169
  899   HG23  VAL 121          HG23      VAL 121   8.607  24.062  12.840
  900    H    ASP 122           H        ASP 122   9.594  24.235  11.138
  901    HA   ASP 122           HA       ASP 122   7.945  26.081   9.852
  902    HB2  ASP 122           HB2      ASP 122  10.939  26.054  10.243
  903    HB3  ASP 122           HB3      ASP 122  10.071  27.429   9.573
  904    H    GLU 123           H        GLU 123  10.582  24.092   8.530
  905    HA   GLU 123           HA       GLU 123  10.599  25.319   5.985
  906    HB2  GLU 123           HB2      GLU 123  12.417  23.939   6.815
  907    HB3  GLU 123           HB3      GLU 123  11.414  22.537   6.813
  908    HG2  GLU 123           HG2      GLU 123  12.703  22.350   4.882
  909    HG3  GLU 123           HG3      GLU 123  11.155  22.960   4.299
  910    H    MET 124           H        MET 124   8.807  22.469   7.267
  911    HA   MET 124           HA       MET 124   7.629  21.693   4.795
  912    HB2  MET 124           HB2      MET 124   6.182  21.608   7.507
  913    HB3  MET 124           HB3      MET 124   5.791  20.645   6.115
  914    HG2  MET 124           HG2      MET 124   7.831  19.316   6.555
  915    HG3  MET 124           HG3      MET 124   8.085  20.277   7.991
  916    HE1  MET 124           HE1      MET 124   4.902  18.237   6.399
  917    HE2  MET 124           HE2      MET 124   5.327  16.774   7.285
  918    HE3  MET 124           HE3      MET 124   6.490  17.505   6.178
  919    H    ILE 125           H        ILE 125   6.526  23.948   7.281
  920    HA   ILE 125           HA       ILE 125   4.067  24.473   5.957
  921    HB   ILE 125           HB       ILE 125   5.562  26.129   7.980
  922   HG12  ILE 125          HG12      ILE 125   4.741  23.792   8.610
  923   HG13  ILE 125          HG13      ILE 125   4.236  25.122   9.644
  924   HG21  ILE 125          HG21      ILE 125   4.091  27.620   6.846
  925   HG22  ILE 125          HG22      ILE 125   3.345  27.217   8.392
  926   HG23  ILE 125          HG23      ILE 125   2.765  26.458   6.910
  927   HD11  ILE 125          HD11      ILE 125   2.045  25.005   8.941
  928   HD12  ILE 125          HD12      ILE 125   2.527  23.312   8.950
  929   HD13  ILE 125          HD13      ILE 125   2.459  24.201   7.429
  930    H    ARG 126           H        ARG 126   7.162  26.266   6.031
  931    HA   ARG 126           HA       ARG 126   6.356  28.444   4.485
  932    HB2  ARG 126           HB2      ARG 126   8.448  28.510   5.616
  933    HB3  ARG 126           HB3      ARG 126   9.017  27.068   4.796
  934    HG2  ARG 126           HG2      ARG 126   9.031  28.373   2.671
  935    HG3  ARG 126           HG3      ARG 126   8.649  29.811   3.619
  936    HD2  ARG 126           HD2      ARG 126  11.120  28.091   3.824
  937    HD3  ARG 126           HD3      ARG 126  11.026  29.771   3.282
  938    HE   ARG 126           HE       ARG 126  10.258  30.363   5.542
  939   HH11  ARG 126          HH11      ARG 126  12.046  27.352   5.185
  940   HH12  ARG 126          HH12      ARG 126  12.493  27.308   6.858
  941   HH21  ARG 126          HH21      ARG 126  10.870  30.291   7.675
  942   HH22  ARG 126          HH22      ARG 126  11.826  28.977   8.272
  943    H    GLU 127           H        GLU 127   7.690  25.302   3.445
  944    HA   GLU 127           HA       GLU 127   7.752  26.141   0.746
  945    HB2  GLU 127           HB2      GLU 127   8.023  23.437   1.994
  946    HB3  GLU 127           HB3      GLU 127   8.020  23.655   0.246
  947    HG2  GLU 127           HG2      GLU 127   9.923  24.997   2.163
  948    HG3  GLU 127           HG3      GLU 127  10.293  23.582   1.178
  949    H    ALA 128           H        ALA 128   5.198  24.605   2.591
  950    HA   ALA 128           HA       ALA 128   3.702  24.018   0.186
  951    HB1  ALA 128           HB1      ALA 128   3.498  22.621   2.213
  952    HB2  ALA 128           HB2      ALA 128   1.952  23.263   1.656
  953    HB3  ALA 128           HB3      ALA 128   2.760  23.989   3.046
  954    H    ASP 129           H        ASP 129   4.002  26.636   2.428
  955    HA   ASP 129           HA       ASP 129   1.399  27.686   2.008
  956    HB2  ASP 129           HB2      ASP 129   2.575  27.901   4.119
  957    HB3  ASP 129           HB3      ASP 129   3.830  28.865   3.348
  958    H    ILE 130           H        ILE 130   1.523  27.869  -0.380
  959    HA   ILE 130           HA       ILE 130   3.206  29.603  -1.761
  960    HB   ILE 130           HB       ILE 130   0.393  28.755  -2.358
  961   HG12  ILE 130          HG12      ILE 130   3.040  27.710  -3.424
  962   HG13  ILE 130          HG13      ILE 130   2.152  26.978  -2.082
  963   HG21  ILE 130          HG21      ILE 130   0.832  30.794  -3.630
  964   HG22  ILE 130          HG22      ILE 130   0.813  29.372  -4.728
  965   HG23  ILE 130          HG23      ILE 130   2.376  30.106  -4.235
  966   HD11  ILE 130          HD11      ILE 130   0.222  26.585  -3.556
  967   HD12  ILE 130          HD12      ILE 130   1.717  25.805  -4.175
  968   HD13  ILE 130          HD13      ILE 130   1.124  27.328  -4.919
  969    H    ASP 131           H        ASP 131   0.073  30.336  -0.218
  970    HA   ASP 131           HA       ASP 131   0.224  33.015  -1.306
  971    HB2  ASP 131           HB2      ASP 131  -1.948  33.468  -0.325
  972    HB3  ASP 131           HB3      ASP 131  -1.927  32.046  -1.361
  973    H    GLY 132           H        GLY 132   1.608  31.795   1.393
  974    HA2  GLY 132           HA2      GLY 132   2.923  32.904   2.887
  975    HA3  GLY 132           HA3      GLY 132   2.379  34.406   2.195
  976    H    ASP 133           H        ASP 133  -0.179  32.449   3.446
  977    HA   ASP 133           HA       ASP 133  -0.422  34.404   5.556
  978    HB2  ASP 133           HB2      ASP 133  -2.637  33.626   5.960
  979    HB3  ASP 133           HB3      ASP 133  -2.399  33.796   4.224
  980    H    GLY 134           H        GLY 134   1.326  31.697   5.460
  981    HA2  GLY 134           HA2      GLY 134   2.519  30.825   7.244
  982    HA3  GLY 134           HA3      GLY 134   1.408  31.611   8.343
  983    H    GLN 135           H        GLN 135  -0.386  29.871   6.157
  984    HA   GLN 135           HA       GLN 135  -0.146  27.353   7.626
  985    HB2  GLN 135           HB2      GLN 135  -2.652  27.241   7.839
  986    HB3  GLN 135           HB3      GLN 135  -1.862  28.408   8.888
  987    HG2  GLN 135           HG2      GLN 135  -2.412  30.140   7.171
  988    HG3  GLN 135           HG3      GLN 135  -3.423  28.922   6.395
  989   HE21  GLN 135          HE21      GLN 135  -4.971  30.821   6.911
  990   HE22  GLN 135          HE22      GLN 135  -5.817  30.706   8.418
  991    H    VAL 136           H        VAL 136  -1.718  25.698   6.575
  992    HA   VAL 136           HA       VAL 136  -1.271  26.012   3.687
  993    HB   VAL 136           HB       VAL 136  -0.306  24.065   3.703
  994   HG11  VAL 136          HG11      VAL 136   0.528  24.908   5.877
  995   HG12  VAL 136          HG12      VAL 136   0.677  23.171   5.621
  996   HG13  VAL 136          HG13      VAL 136  -0.590  23.800   6.662
  997   HG21  VAL 136          HG21      VAL 136  -2.519  22.773   5.276
  998   HG22  VAL 136          HG22      VAL 136  -1.172  21.937   4.521
  999   HG23  VAL 136          HG23      VAL 136  -2.342  22.801   3.527
 1000    H    ASN 137           H        ASN 137  -3.065  26.330   2.565
 1001    HA   ASN 137           HA       ASN 137  -5.553  25.282   3.630
 1002    HB2  ASN 137           HB2      ASN 137  -6.719  26.651   2.016
 1003    HB3  ASN 137           HB3      ASN 137  -5.478  27.635   2.783
 1004   HD21  ASN 137          HD21      ASN 137  -6.015  28.982   0.788
 1005   HD22  ASN 137          HD22      ASN 137  -5.076  28.671  -0.634
 1006    H    TYR 138           H        TYR 138  -7.087  24.475   1.690
 1007    HA   TYR 138           HA       TYR 138  -6.071  21.937   1.171
 1008    HB2  TYR 138           HB2      TYR 138  -8.437  22.284   1.420
 1009    HB3  TYR 138           HB3      TYR 138  -8.485  23.282  -0.033
 1010    HD1  TYR 138           HD1      TYR 138  -7.321  19.892   0.995
 1011    HD2  TYR 138           HD2      TYR 138  -9.223  22.269  -1.973
 1012    HE1  TYR 138           HE1      TYR 138  -7.687  17.892  -0.354
 1013    HE2  TYR 138           HE2      TYR 138  -9.608  20.250  -3.336
 1014    HH   TYR 138           HH       TYR 138  -9.346  18.033  -3.510
 1015    H    GLU 139           H        GLU 139  -6.424  24.660  -1.095
 1016    HA   GLU 139           HA       GLU 139  -5.597  23.227  -3.363
 1017    HB2  GLU 139           HB2      GLU 139  -6.664  25.435  -3.509
 1018    HB3  GLU 139           HB3      GLU 139  -5.232  26.174  -2.799
 1019    HG2  GLU 139           HG2      GLU 139  -3.899  25.481  -4.681
 1020    HG3  GLU 139           HG3      GLU 139  -5.281  24.641  -5.380
 1021    H    GLU 140           H        GLU 140  -3.739  24.979  -0.909
 1022    HA   GLU 140           HA       GLU 140  -1.225  24.704  -2.197
 1023    HB2  GLU 140           HB2      GLU 140  -2.015  25.145   0.679
 1024    HB3  GLU 140           HB3      GLU 140  -0.329  25.045   0.170
 1025    HG2  GLU 140           HG2      GLU 140  -0.509  26.956  -1.187
 1026    HG3  GLU 140           HG3      GLU 140  -2.267  26.937  -1.118
 1027    H    PHE 141           H        PHE 141  -2.979  22.713   0.133
 1028    HA   PHE 141           HA       PHE 141  -0.973  20.764   0.547
 1029    HB2  PHE 141           HB2      PHE 141  -3.000  21.063   1.935
 1030    HB3  PHE 141           HB3      PHE 141  -3.979  20.443   0.615
 1031    HD1  PHE 141           HD2      PHE 141  -1.467  19.533   3.183
 1032    HD2  PHE 141           HD1      PHE 141  -4.202  18.117   0.236
 1033    HE1  PHE 141           HE2      PHE 141  -1.311  17.228   4.124
 1034    HE2  PHE 141           HE1      PHE 141  -4.054  15.855   1.159
 1035    HZ   PHE 141           HZ       PHE 141  -2.586  15.386   3.106
 1036    H    VAL 142           H        VAL 142  -3.626  20.915  -1.818
 1037    HA   VAL 142           HA       VAL 142  -3.127  18.422  -3.010
 1038    HB   VAL 142           HB       VAL 142  -4.522  19.042  -4.751
 1039   HG11  VAL 142          HG11      VAL 142  -6.332  19.264  -3.517
 1040   HG12  VAL 142          HG12      VAL 142  -5.909  20.905  -3.034
 1041   HG13  VAL 142          HG13      VAL 142  -5.266  19.530  -2.138
 1042   HG21  VAL 142          HG21      VAL 142  -4.445  21.971  -4.214
 1043   HG22  VAL 142          HG22      VAL 142  -5.036  21.123  -5.620
 1044   HG23  VAL 142          HG23      VAL 142  -3.312  21.241  -5.336
 1045    H    THR 143           H        THR 143  -1.915  21.668  -3.785
 1046    HA   THR 143           HA       THR 143  -0.436  20.909  -6.043
 1047    HB   THR 143           HB       THR 143   0.078  23.183  -4.087
 1048    HG1  THR 143           HG1      THR 143  -1.923  23.393  -5.124
 1049   HG21  THR 143          HG21      THR 143   2.052  22.666  -5.538
 1050   HG22  THR 143          HG22      THR 143   1.274  24.228  -5.962
 1051   HG23  THR 143          HG23      THR 143   0.978  22.774  -6.973
 1052    H    MET 144           H        MET 144   0.429  20.977  -2.613
 1053    HA   MET 144           HA       MET 144   3.158  20.372  -2.969
 1054    HB2  MET 144           HB2      MET 144   2.396  21.238  -0.853
 1055    HB3  MET 144           HB3      MET 144   1.330  19.862  -0.616
 1056    HG2  MET 144           HG2      MET 144   3.312  19.720   0.778
 1057    HG3  MET 144           HG3      MET 144   3.232  18.391  -0.373
 1058    HE1  MET 144           HE1      MET 144   6.099  21.975  -0.541
 1059    HE2  MET 144           HE2      MET 144   4.624  21.837   0.418
 1060    HE3  MET 144           HE3      MET 144   4.523  22.139  -1.318
 1061    H    MET 145           H        MET 145   0.315  18.277  -2.733
 1062    HA   MET 145           HA       MET 145   2.000  15.941  -2.611
 1063    HB2  MET 145           HB2      MET 145  -0.998  16.120  -2.832
 1064    HB3  MET 145           HB3      MET 145  -0.078  14.664  -2.486
 1065    HG2  MET 145           HG2      MET 145  -0.258  17.123  -0.792
 1066    HG3  MET 145           HG3      MET 145  -1.041  15.598  -0.475
 1067    HE1  MET 145           HE1      MET 145   1.134  17.134   1.778
 1068    HE2  MET 145           HE2      MET 145   1.208  15.548   2.455
 1069    HE3  MET 145           HE3      MET 145  -0.281  16.126   1.736
 1070    H    THR 146           H        THR 146  -0.255  17.619  -4.659
 1071    HA   THR 146           HA       THR 146  -0.837  15.652  -6.506
 1072    HB   THR 146           HB       THR 146  -0.139  18.552  -7.018
 1073    HG1  THR 146           HG1      THR 146  -2.368  18.761  -7.136
 1074   HG21  THR 146          HG21      THR 146  -0.159  18.237  -9.209
 1075   HG22  THR 146          HG22      THR 146  -1.829  17.688  -9.068
 1076   HG23  THR 146          HG23      THR 146  -0.508  16.520  -9.011
 1077    H    ALA 147           H        ALA 147   2.092  17.678  -6.488
 1078    HA   ALA 147           HA       ALA 147   4.170  17.387  -7.369
 1079    HB1  ALA 147           HB1      ALA 147   4.663  15.519  -6.173
 1080    HB2  ALA 147           HB2      ALA 147   4.702  14.817  -7.790
 1081    HB3  ALA 147           HB3      ALA 147   3.269  14.625  -6.781
 1082    H    LYS 148           H        LYS 148   5.388  16.454  -9.308
 1083    HA   LYS 148           HA       LYS 148   3.618  16.645 -11.637
 1084    HB2  LYS 148           HB2      LYS 148   5.639  17.210 -12.903
 1085    HB3  LYS 148           HB3      LYS 148   5.429  18.283 -11.526
 1086    HG2  LYS 148           HG2      LYS 148   7.094  17.008 -10.274
 1087    HG3  LYS 148           HG3      LYS 148   7.304  15.930 -11.655
 1088    HD2  LYS 148           HD2      LYS 148   8.054  17.823 -13.016
 1089    HD3  LYS 148           HD3      LYS 148   7.842  18.900 -11.634
 1090    HE2  LYS 148           HE2      LYS 148   9.541  17.696 -10.397
 1091    HE3  LYS 148           HE3      LYS 148   9.706  16.530 -11.708
 1092    HZ1  LYS 148           HZ1      LYS 148  11.386  17.889 -12.286
 1093    HZ2  LYS 148           HZ2      LYS 148  10.740  19.237 -11.494
 1094    HZ3  LYS 148           HZ3      LYS 148  10.156  18.792 -13.018
 1095    H1   LYS 201           H        LYS 201  13.499  15.805   1.834
 1096    HA   LYS 201           HA       LYS 201  13.821  16.797   4.049
 1097    HB2  LYS 201           HB2      LYS 201  12.826  18.785   1.997
 1098    HB3  LYS 201           HB3      LYS 201  13.545  19.271   3.527
 1099    HG2  LYS 201           HG2      LYS 201  15.617  18.129   2.916
 1100    HG3  LYS 201           HG3      LYS 201  14.893  17.641   1.382
 1101    HD2  LYS 201           HD2      LYS 201  14.628  19.996   0.763
 1102    HD3  LYS 201           HD3      LYS 201  15.350  20.481   2.298
 1103    HE2  LYS 201           HE2      LYS 201  17.437  19.422   1.691
 1104    HE3  LYS 201           HE3      LYS 201  16.725  18.808   0.200
 1105    HZ1  LYS 201           HZ1      LYS 201  17.921  20.703  -0.415
 1106    HZ2  LYS 201           HZ2      LYS 201  17.367  21.608   0.902
 1107    HZ3  LYS 201           HZ3      LYS 201  16.312  21.227  -0.364
 1108    H    ARG 202           H        ARG 202  11.203  18.982   3.137
 1109    HA   ARG 202           HA       ARG 202   9.667  18.054   5.525
 1110    HB2  ARG 202           HB2      ARG 202   8.593  20.310   5.292
 1111    HB3  ARG 202           HB3      ARG 202  10.186  20.365   5.923
 1112    HG2  ARG 202           HG2      ARG 202   9.816  22.068   4.274
 1113    HG3  ARG 202           HG3      ARG 202  11.040  20.991   3.741
 1114    HD2  ARG 202           HD2      ARG 202   8.212  20.863   2.731
 1115    HD3  ARG 202           HD3      ARG 202   9.340  22.034   2.148
 1116    HE   ARG 202           HE       ARG 202   9.281  19.300   1.428
 1117   HH11  ARG 202          HH11      ARG 202  11.542  22.009   1.809
 1118   HH12  ARG 202          HH12      ARG 202  12.593  21.432   0.564
 1119   HH21  ARG 202          HH21      ARG 202  10.706  18.603  -0.193
 1120   HH22  ARG 202          HH22      ARG 202  12.127  19.519  -0.557
 1121    H    ARG 203           H        ARG 203   9.453  16.674   3.151
 1122    HA   ARG 203           HA       ARG 203   7.236  17.754   1.613
 1123    HB2  ARG 203           HB2      ARG 203   8.628  15.070   1.558
 1124    HB3  ARG 203           HB3      ARG 203   7.290  15.475   0.491
 1125    HG2  ARG 203           HG2      ARG 203   8.592  17.317  -0.446
 1126    HG3  ARG 203           HG3      ARG 203   9.934  16.911   0.626
 1127    HD2  ARG 203           HD2      ARG 203  10.097  14.704  -0.419
 1128    HD3  ARG 203           HD3      ARG 203   8.755  15.110  -1.488
 1129    HE   ARG 203           HE       ARG 203  10.188  16.356  -2.772
 1130   HH11  ARG 203          HH11      ARG 203  11.771  15.590   0.251
 1131   HH12  ARG 203          HH12      ARG 203  13.312  16.181  -0.270
 1132   HH21  ARG 203          HH21      ARG 203  12.212  17.126  -3.449
 1133   HH22  ARG 203          HH22      ARG 203  13.564  17.052  -2.368
 1134    H    TRP 204           H        TRP 204   5.342  17.848   2.692
 1135    HA   TRP 204           HA       TRP 204   4.420  15.837   4.546
 1136    HB2  TRP 204           HB2      TRP 204   2.554  17.543   2.955
 1137    HB3  TRP 204           HB3      TRP 204   2.386  17.000   4.596
 1138    HD1  TRP 204           HD1      TRP 204   5.050  19.471   3.046
 1139    HE1  TRP 204           HE1      TRP 204   4.834  21.640   4.346
 1140    HE3  TRP 204           HE3      TRP 204   1.215  18.187   6.149
 1141    HZ2  TRP 204           HZ2      TRP 204   3.262  22.709   6.434
 1142    HZ3  TRP 204           HZ3      TRP 204   0.394  19.853   7.763
 1143    HH2  TRP 204           HH2      TRP 204   1.401  22.071   7.901
 1144    H    LYS 205           H        LYS 205   5.018  15.805   1.320
 1145    HA   LYS 205           HA       LYS 205   2.841  14.495   0.192
 1146    HB2  LYS 205           HB2      LYS 205   5.688  14.228  -0.636
 1147    HB3  LYS 205           HB3      LYS 205   4.271  14.027  -1.649
 1148    HG2  LYS 205           HG2      LYS 205   3.786  16.436  -1.380
 1149    HG3  LYS 205           HG3      LYS 205   5.294  16.600  -0.476
 1150    HD2  LYS 205           HD2      LYS 205   6.179  15.306  -2.681
 1151    HD3  LYS 205           HD3      LYS 205   4.848  16.233  -3.371
 1152    HE2  LYS 205           HE2      LYS 205   6.538  17.781  -1.560
 1153    HE3  LYS 205           HE3      LYS 205   7.404  17.144  -2.955
 1154    HZ1  LYS 205           HZ1      LYS 205   4.851  18.623  -3.211
 1155    HZ2  LYS 205           HZ2      LYS 205   5.967  18.254  -4.426
 1156    HZ3  LYS 205           HZ3      LYS 205   6.357  19.394  -3.239
 1157    H    LYS 206           H        LYS 206   5.952  12.912   0.839
 1158    HA   LYS 206           HA       LYS 206   5.039  10.310   0.512
 1159    HB2  LYS 206           HB2      LYS 206   6.653  10.139   2.832
 1160    HB3  LYS 206           HB3      LYS 206   7.109   9.817   1.184
 1161    HG2  LYS 206           HG2      LYS 206   7.776  12.196   0.948
 1162    HG3  LYS 206           HG3      LYS 206   7.354  12.443   2.643
 1163    HD2  LYS 206           HD2      LYS 206   9.162  10.183   2.134
 1164    HD3  LYS 206           HD3      LYS 206   9.831  11.769   1.745
 1165    HE2  LYS 206           HE2      LYS 206  10.340  11.131   4.047
 1166    HE3  LYS 206           HE3      LYS 206   9.302  12.555   3.991
 1167    HZ1  LYS 206           HZ1      LYS 206   7.466  11.336   4.690
 1168    HZ2  LYS 206           HZ2      LYS 206   8.723  10.725   5.643
 1169    HZ3  LYS 206           HZ3      LYS 206   8.170   9.845   4.309
 1170    H    ASN 207           H        ASN 207   4.620  12.381   3.274
 1171    HA   ASN 207           HA       ASN 207   3.406  10.398   4.944
 1172    HB2  ASN 207           HB2      ASN 207   4.416  12.771   5.497
 1173    HB3  ASN 207           HB3      ASN 207   2.744  13.267   5.254
 1174   HD21  ASN 207          HD21      ASN 207   4.814  12.682   7.569
 1175   HD22  ASN 207          HD22      ASN 207   3.799  11.979   8.776
 1176    H    PHE 208           H        PHE 208   2.140  12.990   2.966
 1177    HA   PHE 208           HA       PHE 208  -0.612  12.383   3.436
 1178    HB2  PHE 208           HB2      PHE 208  -0.376  14.499   2.619
 1179    HB3  PHE 208           HB3      PHE 208   0.921  13.961   1.514
 1180    HD1  PHE 208           HD1      PHE 208  -2.575  14.000   2.118
 1181    HD2  PHE 208           HD2      PHE 208   0.373  13.145  -0.746
 1182    HE1  PHE 208           HE1      PHE 208  -4.294  13.559   0.520
 1183    HE2  PHE 208           HE2      PHE 208  -1.362  12.700  -2.428
 1184    HZ   PHE 208           HZ       PHE 208  -3.715  12.882  -1.768
 1185    H    ILE 209           H        ILE 209   1.425  11.847   0.608
 1186    HA   ILE 209           HA       ILE 209  -0.269  10.354  -1.001
 1187    HB   ILE 209           HB       ILE 209   2.626   9.572  -0.625
 1188   HG12  ILE 209          HG12      ILE 209   1.768  11.768  -2.517
 1189   HG13  ILE 209          HG13      ILE 209   2.204  12.215  -0.892
 1190   HG21  ILE 209          HG21      ILE 209   1.165   8.332  -2.193
 1191   HG22  ILE 209          HG22      ILE 209   2.360   9.274  -3.087
 1192   HG23  ILE 209          HG23      ILE 209   0.703   9.847  -2.958
 1193   HD11  ILE 209          HD11      ILE 209   4.422  11.495  -1.171
 1194   HD12  ILE 209          HD12      ILE 209   4.006  12.354  -2.653
 1195   HD13  ILE 209          HD13      ILE 209   4.015  10.593  -2.628
 1196    H    ALA 210           H        ALA 210   2.013   9.111   1.405
 1197    HA   ALA 210           HA       ALA 210   1.390   6.413   1.272
 1198    HB1  ALA 210           HB1      ALA 210   3.051   7.573   2.725
 1199    HB2  ALA 210           HB2      ALA 210   2.237   6.177   3.481
 1200    HB3  ALA 210           HB3      ALA 210   1.735   7.870   3.841
 1201    H    VAL 211           H        VAL 211  -0.119   8.739   3.503
 1202    HA   VAL 211           HA       VAL 211  -2.176   7.018   4.409
 1203    HB   VAL 211           HB       VAL 211  -3.296   8.944   5.155
 1204   HG11  VAL 211          HG11      VAL 211  -1.560   8.623   6.568
 1205   HG12  VAL 211          HG12      VAL 211  -1.286  10.298   6.092
 1206   HG13  VAL 211          HG13      VAL 211  -0.341   9.007   5.360
 1207   HG21  VAL 211          HG21      VAL 211  -2.937  10.279   2.936
 1208   HG22  VAL 211          HG22      VAL 211  -1.566  10.915   3.832
 1209   HG23  VAL 211          HG23      VAL 211  -3.185  11.088   4.476
 1210    H    SER 212           H        SER 212  -1.829   8.937   1.509
 1211    HA   SER 212           HA       SER 212  -4.528   8.868   0.679
 1212    HB2  SER 212           HB2      SER 212  -2.104   9.810  -0.375
 1213    HB3  SER 212           HB3      SER 212  -2.705   8.676  -1.583
 1214    HG   SER 212           HG       SER 212  -4.027  10.193  -2.150
 1215    H    ALA 213           H        ALA 213  -1.850   6.607   0.219
 1216    HA   ALA 213           HA       ALA 213  -3.134   4.816  -1.572
 1217    HB1  ALA 213           HB1      ALA 213  -0.701   4.875  -0.235
 1218    HB2  ALA 213           HB2      ALA 213  -1.257   3.610  -1.326
 1219    HB3  ALA 213           HB3      ALA 213  -1.503   3.437   0.409
 1220    H    ALA 214           H        ALA 214  -2.832   4.590   1.942
 1221    HA   ALA 214           HA       ALA 214  -4.640   2.404   2.217
 1222    HB1  ALA 214           HB1      ALA 214  -3.211   2.822   4.043
 1223    HB2  ALA 214           HB2      ALA 214  -4.819   3.232   4.621
 1224    HB3  ALA 214           HB3      ALA 214  -3.706   4.512   4.152
 1225    H    ASN 215           H        ASN 215  -5.174   5.898   2.687
 1226    HA   ASN 215           HA       ASN 215  -7.900   5.808   3.371
 1227    HB2  ASN 215           HB2      ASN 215  -6.977   7.917   3.516
 1228    HB3  ASN 215           HB3      ASN 215  -6.151   7.779   1.988
 1229   HD21  ASN 215          HD21      ASN 215  -9.592   7.177   2.000
 1230   HD22  ASN 215          HD22      ASN 215  -9.988   8.685   1.279
 1231    H    ARG 216           H        ARG 216  -6.363   5.709   0.207
 1232    HA   ARG 216           HA       ARG 216  -8.795   5.838  -1.310
 1233    HB2  ARG 216           HB2      ARG 216  -6.796   6.289  -2.479
 1234    HB3  ARG 216           HB3      ARG 216  -6.021   4.821  -1.921
 1235    HG2  ARG 216           HG2      ARG 216  -6.622   4.792  -4.307
 1236    HG3  ARG 216           HG3      ARG 216  -7.429   3.519  -3.393
 1237    HD2  ARG 216           HD2      ARG 216  -8.965   4.582  -4.959
 1238    HD3  ARG 216           HD3      ARG 216  -9.459   4.871  -3.292
 1239    HE   ARG 216           HE       ARG 216  -7.831   6.984  -4.274
 1240   HH11  ARG 216          HH11      ARG 216 -11.085   5.705  -4.397
 1241   HH12  ARG 216          HH12      ARG 216 -11.804   7.242  -4.738
 1242   HH21  ARG 216          HH21      ARG 216  -8.785   8.999  -4.721
 1243   HH22  ARG 216          HH22      ARG 216 -10.502   9.108  -4.923
 1244    H    PHE 217           H        PHE 217  -6.969   3.192   0.133
 1245    HA   PHE 217           HA       PHE 217  -8.506   1.156  -1.191
 1246    HB2  PHE 217           HB2      PHE 217  -6.192   1.195   0.310
 1247    HB3  PHE 217           HB3      PHE 217  -7.321   0.260   1.277
 1248    HD1  PHE 217           HD1      PHE 217  -8.915  -1.174  -0.495
 1249    HD2  PHE 217           HD2      PHE 217  -4.803  -0.183  -0.849
 1250    HE1  PHE 217           HE1      PHE 217  -8.600  -3.086  -1.972
 1251    HE2  PHE 217           HE2      PHE 217  -4.460  -2.097  -2.330
 1252    HZ   PHE 217           HZ       PHE 217  -6.370  -3.570  -2.899
 1253    H    LYS 218           H        LYS 218  -9.145   3.202   1.392
 1254    HA   LYS 218           HA       LYS 218 -11.072   1.378   2.626
 1255    HB2  LYS 218           HB2      LYS 218  -9.810   2.981   4.024
 1256    HB3  LYS 218           HB3      LYS 218 -10.530   4.318   3.126
 1257    HG2  LYS 218           HG2      LYS 218 -12.776   3.455   3.831
 1258    HG3  LYS 218           HG3      LYS 218 -11.935   2.333   4.896
 1259    HD2  LYS 218           HD2      LYS 218 -11.045   4.111   6.195
 1260    HD3  LYS 218           HD3      LYS 218 -11.570   5.318   5.016
 1261    HE2  LYS 218           HE2      LYS 218 -13.406   5.548   6.270
 1262    HE3  LYS 218           HE3      LYS 218 -13.906   3.982   5.640
 1263    HZ1  LYS 218           HZ1      LYS 218 -12.122   3.674   7.834
 1264    HZ2  LYS 218           HZ2      LYS 218 -13.693   3.081   7.639
 1265    HZ3  LYS 218           HZ3      LYS 218 -13.448   4.630   8.271
 1266    H    LYS 219           H        LYS 219 -10.955   4.136   0.468
 1267    HA   LYS 219           HA       LYS 219 -13.870   4.355   0.384
 1268    HB2  LYS 219           HB2      LYS 219 -11.570   5.849  -0.786
 1269    HB3  LYS 219           HB3      LYS 219 -13.131   5.983  -1.584
 1270    HG2  LYS 219           HG2      LYS 219 -12.700   6.539   1.340
 1271    HG3  LYS 219           HG3      LYS 219 -12.646   7.774   0.079
 1272    HD2  LYS 219           HD2      LYS 219 -14.949   7.164  -0.573
 1273    HD3  LYS 219           HD3      LYS 219 -14.994   6.002   0.754
 1274    HE2  LYS 219           HE2      LYS 219 -14.714   7.785   2.366
 1275    HE3  LYS 219           HE3      LYS 219 -14.548   8.967   1.069
 1276    HZ1  LYS 219           HZ1      LYS 219 -16.793   8.836   2.141
 1277    HZ2  LYS 219           HZ2      LYS 219 -16.978   7.311   1.433
 1278    HZ3  LYS 219           HZ3      LYS 219 -16.793   8.678   0.456
 1279    H    ILE 220           H        ILE 220 -11.355   2.801  -1.426
 1280    HA   ILE 220           HA       ILE 220 -12.450   2.565  -3.957
 1281    HB   ILE 220           HB       ILE 220 -10.847   0.702  -2.272
 1282   HG12  ILE 220          HG12      ILE 220 -10.233   1.754  -5.016
 1283   HG13  ILE 220          HG13      ILE 220 -10.010   2.760  -3.596
 1284   HG21  ILE 220          HG21      ILE 220 -12.150  -0.910  -3.457
 1285   HG22  ILE 220          HG22      ILE 220 -10.588  -0.804  -4.268
 1286   HG23  ILE 220          HG23      ILE 220 -12.000  -0.011  -4.967
 1287   HD11  ILE 220          HD11      ILE 220  -8.804   0.120  -3.346
 1288   HD12  ILE 220          HD12      ILE 220  -8.120   1.714  -3.034
 1289   HD13  ILE 220          HD13      ILE 220  -8.153   1.077  -4.676
 1290    H    SER 221           H        SER 221 -13.449   1.063  -0.956
 1291    HA   SER 221           HA       SER 221 -15.186  -0.932  -1.922
 1292    HB2  SER 221           HB2      SER 221 -16.311  -0.775   0.221
 1293    HB3  SER 221           HB3      SER 221 -14.593  -0.486   0.497
 1294    HG   SER 221           HG       SER 221 -15.533   1.148   1.553
 1295    H    SER 222           H        SER 222 -16.218  -0.202  -3.788
 1296    HA   SER 222           HA       SER 222 -17.552   2.238  -4.152
 1297    HB2  SER 222           HB2      SER 222 -18.336  -0.450  -5.302
 1298    HB3  SER 222           HB3      SER 222 -18.786   1.125  -5.955
 1299    HG   SER 222           HG       SER 222 -16.264  -0.124  -5.901
 1300    H    SER 223           H        SER 223 -18.663   2.784  -2.269
 1301    HA   SER 223           HA       SER 223 -20.361   2.567  -0.585
 1302    HB2  SER 223           HB2      SER 223 -21.470   3.034  -3.318
 1303    HB3  SER 223           HB3      SER 223 -22.603   2.838  -1.982
 1304    HG   SER 223           HG       SER 223 -21.384   5.021  -2.636
 1305    H    GLY 224           H        GLY 224 -20.593   0.663   0.479
 1306    HA2  GLY 224           HA2      GLY 224 -21.660  -1.723  -0.834
 1307    HA3  GLY 224           HA3      GLY 224 -21.305  -1.566   0.887
 1308    H    ALA 225           H        ALA 225 -23.277   0.780  -0.759
 1309    HA   ALA 225           HA       ALA 225 -25.349   1.060   0.923
 1310    HB1  ALA 225           HB1      ALA 225 -25.344   2.383  -1.034
 1311    HB2  ALA 225           HB2      ALA 225 -26.812   1.413  -1.156
 1312    HB3  ALA 225           HB3      ALA 225 -25.382   0.969  -2.089
 1313    H    LEU 226           H        LEU 226 -25.008  -1.602  -1.376
 1314    HA   LEU 226           HA       LEU 226 -27.172  -3.031   0.103
 1315    HB2  LEU 226           HB2      LEU 226 -26.813  -2.661  -2.851
 1316    HB3  LEU 226           HB3      LEU 226 -27.522  -4.155  -2.267
 1317    HG   LEU 226           HG       LEU 226 -29.235  -2.743  -1.054
 1318   HD11  LEU 226          HD11      LEU 226 -29.473  -0.457  -2.324
 1319   HD12  LEU 226          HD12      LEU 226 -27.728  -0.630  -2.509
 1320   HD13  LEU 226          HD13      LEU 226 -28.445  -0.602  -0.899
 1321   HD21  LEU 226          HD21      LEU 226 -30.512  -2.259  -3.146
 1322   HD22  LEU 226          HD22      LEU 226 -29.862  -3.895  -3.049
 1323   HD23  LEU 226          HD23      LEU 226 -29.067  -2.689  -4.061