*HEADER    STRUCTURAL PROTEIN                      24-MAR-04   1SSL              
*TITLE     SOLUTION STRUCTURE OF THE PSI DOMAIN FROM THE MET RECEPTOR            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HEPATOCYTE GROWTH FACTOR RECEPTOR;                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: PSI DOMAIN (RESIDUES 519-562);                             
*COMPND   5 SYNONYM: MET PROTO-ONCOGENE TYROSINE KINASE, C-MET, HGF              
*COMPND   6 RECEPTOR, HGF-SF RECEPTOR;                                           
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: ORIGAMI (NOVAGEN);                         
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET32A                                    
*KEYWDS    CYSTEINE KNOT                                                         
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    G.KOZLOV, A.PERREAULT, J.D.SCHRAG, M.CYGLER, K.GEHRING,               
*AUTHOR   2 I.EKIEL                                                              
*REVDAT   1   12-OCT-04 1SSL    0                                                
assign (resid 2 and name HB#) (resid 3 and name HN)   3.270 1.470 1.470
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assign (resid 3 and name HB#) (resid 5 and name HN)   3.650 1.850 1.850
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assign (resid 4 and name HB#) (resid 4 and name HN)   2.735 0.935 0.935
assign (resid 4 and name HB#) (resid 5 and name HN)   3.190 1.390 1.390
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assign (resid 4 and name HG#) (resid 5 and name HN)   3.650 1.850 1.850
assign (resid 5 and name HA1) (resid 7 and name HN)   3.300 1.500 1.500
assign (resid 5 and name HA2) (resid 22 and name HG1#)   3.090 1.290 1.290
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assign (resid 5 and name HN) (resid 6 and name HN)   3.355 1.555 1.555
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assign (resid 6 and name HB2) (resid 9 and name HE#)   3.650 1.850 1.850
assign (resid 6 and name HN) (resid 22 and name HG1#)   3.315 1.515 1.515
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assign (resid 7 and name HG#) (resid 24 and name HB2)   3.390 1.590 1.590
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assign (resid 9 and name HE#) (resid 18 and name HB#)   3.295 1.495 1.495
assign (resid 9 and name HE#) (resid 18 and name HN)   3.650 1.850 1.850
assign (resid 9 and name HE#) (resid 21 and name HB2)   3.585 1.785 1.785
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assign (resid 9 and name HE#) (resid 22 and name HG1#)   3.420 1.620 1.620
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assign (resid 11 and name HA) (resid 26 and name HZ2)   3.650 1.850 1.850
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assign (resid 11 and name HN) (resid 26 and name HZ3)   3.650 1.850 1.850
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assign (resid 12 and name HA) (resid 15 and name HB2)   3.435 1.635 1.635
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assign (resid 12 and name HB2) (resid 12 and name HN)   2.995 1.195 1.195
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assign (resid 12 and name HB2) (resid 15 and name HB1)   3.110 1.310 1.310
assign (resid 12 and name HB2) (resid 15 and name HB2)   3.265 1.465 1.465
assign (resid 12 and name HB2) (resid 15 and name HN)   3.540 1.740 1.740
assign (resid 12 and name HB2) (resid 26 and name HE3)   3.035 1.235 1.235
assign (resid 12 and name HB2) (resid 26 and name HZ3)   3.650 1.850 1.850
assign (resid 12 and name HN) (resid 13 and name HN)   3.035 1.235 1.235
assign (resid 12 and name HN) (resid 14 and name HN)   3.540 1.740 1.740
assign (resid 12 and name HN) (resid 26 and name HH2)   3.480 1.680 1.680
assign (resid 12 and name SG) (resid 47 and name CB)   3.050 0.050 0.050
assign (resid 12 and name SG) (resid 47 and name SG)   2.050 0.050 0.050
assign (resid 13 and name HA) (resid 15 and name HN)   3.245 1.445 1.445
assign (resid 13 and name HB#) (resid 13 and name HN)   2.790 0.990 0.990
assign (resid 13 and name HB#) (resid 14 and name HB1)   3.650 1.850 1.850
assign (resid 13 and name HB#) (resid 14 and name HB2)   3.650 1.850 1.850
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assign (resid 13 and name HN) (resid 14 and name HN)   2.940 1.140 1.140
assign (resid 14 and name HA) (resid 14 and name HG#)   2.745 0.945 0.945
assign (resid 14 and name HB1) (resid 14 and name HN)   2.895 1.095 1.095
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assign (resid 14 and name HB1) (resid 17 and name HN)   3.650 1.850 1.850
assign (resid 14 and name HB2) (resid 15 and name HN)   3.155 1.355 1.355
assign (resid 14 and name HG#) (resid 14 and name HN)   3.295 1.495 1.495
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assign (resid 14 and name HG#) (resid 18 and name HB#)   2.925 1.125 1.125
assign (resid 14 and name HG#) (resid 22 and name HG1#)   3.650 1.850 1.850
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assign (resid 14 and name HN) (resid 17 and name HN)   3.650 1.850 1.850
assign (resid 15 and name CB) (resid 31 and name SG)   3.050 0.050 0.050
assign (resid 15 and name HB1) (resid 15 and name HN)   2.730 0.930 0.930
assign (resid 15 and name HB1) (resid 16 and name HG)   3.615 1.815 1.815
assign (resid 15 and name HB1) (resid 26 and name HE3)   2.950 1.150 1.150
assign (resid 15 and name HB1) (resid 26 and name HZ3)   3.650 1.850 1.850
assign (resid 15 and name HB2) (resid 15 and name HN)   2.795 0.995 0.995
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assign (resid 15 and name SG) (resid 31 and name CB)   3.050 0.050 0.050
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assign (resid 16 and name HD1#) (resid 25 and name HA#)   3.650 1.850 1.850
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assign (resid 16 and name HD2#) (resid 26 and name HN)   3.650 1.850 1.850
assign (resid 16 and name HD2#) (resid 44 and name HA)   2.925 1.125 1.125
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assign (resid 20 and name HB1) (resid 21 and name HD#)   3.650 1.850 1.850
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assign (resid 25 and name HN) (resid 42 and name HZ2)   3.195 1.395 1.395
assign (resid 26 and name HA) (resid 26 and name HE3)   3.105 1.305 1.305
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assign (resid 26 and name HB1) (resid 43 and name HG2#)   3.205 1.405 1.405
assign (resid 26 and name HB1) (resid 43 and name HN)   3.650 1.850 1.850
assign (resid 26 and name HB2) (resid 26 and name HD1)   2.935 1.135 1.135
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assign (resid 26 and name HE3) (resid 31 and name HN)   3.650 1.850 1.850
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assign (resid 27 and name HB2) (resid 32 and name HG2#)   2.935 1.135 1.135
assign (resid 27 and name HB2) (resid 42 and name HD1)   2.975 1.175 1.175
assign (resid 27 and name HB2) (resid 42 and name HE1)   3.400 1.600 1.600
assign (resid 27 and name HB2) (resid 43 and name HG2#)   3.570 1.770 1.770
assign (resid 27 and name HN) (resid 28 and name HN)   3.460 1.660 1.660
assign (resid 27 and name HN) (resid 31 and name HA)   3.215 1.415 1.415
assign (resid 27 and name HN) (resid 32 and name HG2#)   3.415 1.615 1.615
assign (resid 27 and name HN) (resid 42 and name HD1)   3.650 1.850 1.850
assign (resid 27 and name SG) (resid 37 and name CB)   3.050 0.050 0.050
assign (resid 27 and name SG) (resid 37 and name SG)   2.050 0.050 0.050
assign (resid 28 and name HB1) (resid 28 and name HN)   3.360 1.560 1.560
assign (resid 28 and name HB1) (resid 29 and name HN)   3.520 1.720 1.720
assign (resid 28 and name HB2) (resid 29 and name HN)   3.505 1.705 1.705
assign (resid 30 and name HA) (resid 31 and name HB#)   3.650 1.850 1.850
assign (resid 30 and name HA) (resid 32 and name HG1#)   3.615 1.815 1.815
assign (resid 30 and name HB1) (resid 30 and name HE#)   3.650 1.850 1.850
assign (resid 30 and name HB1) (resid 30 and name HN)   3.140 1.340 1.340
assign (resid 30 and name HB2) (resid 30 and name HE#)   3.480 1.680 1.680
assign (resid 30 and name HE#) (resid 30 and name HG#)   3.155 1.355 1.355
assign (resid 30 and name HE#) (resid 32 and name HG1#)   3.425 1.625 1.625
assign (resid 30 and name HG#) (resid 31 and name HB#)   3.440 1.640 1.640
assign (resid 30 and name HG#) (resid 32 and name HG1#)   3.375 1.575 1.575
assign (resid 31 and name HA) (resid 32 and name HG1#)   3.610 1.810 1.810
assign (resid 31 and name HA) (resid 32 and name HN)   2.675 0.875 0.875
assign (resid 31 and name HB#) (resid 31 and name HN)   2.900 1.100 1.100
assign (resid 31 and name HB#) (resid 32 and name HA)   3.650 1.850 1.850
assign (resid 31 and name HB#) (resid 32 and name HG1#)   3.555 1.755 1.755
assign (resid 31 and name HB#) (resid 32 and name HN)   3.550 1.750 1.750
assign (resid 32 and name HA) (resid 32 and name HG1#)   2.980 1.180 1.180
assign (resid 32 and name HA) (resid 33 and name HN)   2.690 0.890 0.890
assign (resid 32 and name HB) (resid 33 and name HN)   2.935 1.135 1.135
assign (resid 32 and name HG2#) (resid 32 and name HN)   3.115 1.315 1.315
assign (resid 32 and name HG2#) (resid 33 and name HN)   3.135 1.335 1.335
assign (resid 32 and name HG2#) (resid 36 and name HN)   3.590 1.790 1.790
assign (resid 32 and name HG2#) (resid 37 and name HN)   3.585 1.785 1.785
assign (resid 32 and name HG2#) (resid 42 and name HD1)   3.215 1.415 1.415
assign (resid 32 and name HG2#) (resid 42 and name HE1)   3.500 1.700 1.700
assign (resid 32 and name HN) (resid 42 and name HE1)   3.485 1.685 1.685
assign (resid 33 and name HA) (resid 33 and name HG#)   2.915 1.115 1.115
assign (resid 33 and name HB1) (resid 33 and name HH21)   3.170 1.370 1.370
assign (resid 33 and name HB1) (resid 33 and name HN)   2.940 1.140 1.140
assign (resid 33 and name HB1) (resid 34 and name HN)   2.975 1.175 1.175
assign (resid 33 and name HB1) (resid 35 and name HN)   3.265 1.465 1.465
assign (resid 33 and name HB1) (resid 42 and name HD1)   3.650 1.850 1.850
assign (resid 33 and name HB1) (resid 42 and name HE1)   3.315 1.515 1.515
assign (resid 33 and name HB2) (resid 33 and name HH21)   3.440 1.640 1.640
assign (resid 33 and name HB2) (resid 33 and name HN)   2.995 1.195 1.195
assign (resid 33 and name HB2) (resid 34 and name HN)   2.965 1.165 1.165
assign (resid 33 and name HB2) (resid 42 and name HE1)   3.375 1.575 1.575
assign (resid 33 and name HG#) (resid 33 and name HH21)   3.120 1.320 1.320
assign (resid 33 and name HG#) (resid 33 and name HN)   3.375 1.575 1.575
assign (resid 33 and name HG#) (resid 34 and name HN)   3.260 1.460 1.460
assign (resid 33 and name HG#) (resid 42 and name HB2)   3.650 1.850 1.850
assign (resid 33 and name HH21) (resid 42 and name HB2)   3.135 1.335 1.335
assign (resid 34 and name HN) (resid 42 and name HE1)   3.650 1.850 1.850
assign (resid 35 and name HB#) (resid 35 and name HN)   2.915 1.115 1.115
assign (resid 35 and name HG1) (resid 35 and name HN)   3.165 1.365 1.365
assign (resid 35 and name HG2) (resid 35 and name HN)   3.205 1.405 1.405
assign (resid 36 and name HA) (resid 36 and name HG#)   3.000 1.200 1.200
assign (resid 36 and name HB#) (resid 36 and name HN)   2.975 1.175 1.175
assign (resid 36 and name HB#) (resid 37 and name HN)   3.650 1.850 1.850
assign (resid 36 and name HG#) (resid 37 and name HN)   3.495 1.695 1.695
assign (resid 36 and name HN) (resid 37 and name HN)   3.185 1.385 1.385
assign (resid 37 and name HB#) (resid 37 and name HN)   2.990 1.190 1.190
assign (resid 38 and name HA) (resid 38 and name HD1#)   3.215 1.415 1.415
assign (resid 38 and name HA) (resid 38 and name HD2#)   3.305 1.505 1.505
assign (resid 38 and name HB1) (resid 38 and name HD1#)   3.140 1.340 1.340
assign (resid 38 and name HB1) (resid 38 and name HD2#)   3.260 1.460 1.460
assign (resid 38 and name HB2) (resid 38 and name HD1#)   2.955 1.155 1.155
assign (resid 38 and name HB2) (resid 38 and name HD2#)   3.055 1.255 1.255
assign (resid 38 and name HB2) (resid 39 and name HN)   3.275 1.475 1.475
assign (resid 38 and name HD2#) (resid 39 and name HN)   3.650 1.850 1.850
assign (resid 39 and name HB1) (resid 41 and name HG2#)   3.480 1.680 1.680
assign (resid 39 and name HB2) (resid 41 and name HG2#)   3.275 1.475 1.475
assign (resid 39 and name HN) (resid 40 and name HN)   3.215 1.415 1.415
assign (resid 40 and name HN) (resid 41 and name HN)   3.080 1.280 1.280
assign (resid 41 and name HA) (resid 41 and name HG2#)   2.905 1.105 1.105
assign (resid 41 and name HG2#) (resid 41 and name HN)   3.285 1.485 1.485
assign (resid 41 and name HG2#) (resid 42 and name HN)   3.365 1.565 1.565
assign (resid 41 and name HN) (resid 42 and name HN)   3.310 1.510 1.510
assign (resid 42 and name HA) (resid 42 and name HD1)   3.405 1.605 1.605
assign (resid 42 and name HA) (resid 43 and name HG2#)   3.575 1.775 1.775
assign (resid 42 and name HA) (resid 43 and name HN)   2.695 0.895 0.895
assign (resid 42 and name HB1) (resid 42 and name HN)   2.930 1.130 1.130
assign (resid 42 and name HB1) (resid 42 and name HZ3)   3.370 1.570 1.570
assign (resid 42 and name HB2) (resid 42 and name HN)   2.930 1.130 1.130
assign (resid 42 and name HB2) (resid 43 and name HN)   3.650 1.850 1.850
assign (resid 42 and name HE3) (resid 42 and name HN)   3.500 1.700 1.700
assign (resid 42 and name HE3) (resid 43 and name HA)   3.350 1.550 1.550
assign (resid 42 and name HH2) (resid 44 and name HB2)   3.315 1.515 1.515
assign (resid 42 and name HH2) (resid 44 and name HE21)   3.650 1.850 1.850
assign (resid 42 and name HH2) (resid 44 and name HG1)   3.530 1.730 1.730
assign (resid 42 and name HH2) (resid 44 and name HG2)   3.650 1.850 1.850
assign (resid 42 and name HN) (resid 43 and name HN)   3.650 1.850 1.850
assign (resid 42 and name HZ2) (resid 44 and name HB2)   3.365 1.565 1.565
assign (resid 42 and name HZ3) (resid 44 and name HG1)   3.610 1.810 1.810
assign (resid 42 and name HZ3) (resid 44 and name HG2)   3.650 1.850 1.850
assign (resid 43 and name HA) (resid 43 and name HG2#)   2.940 1.140 1.140
assign (resid 43 and name HB) (resid 44 and name HN)   3.650 1.850 1.850
assign (resid 43 and name HG2#) (resid 43 and name HN)   2.980 1.180 1.180
assign (resid 43 and name HG2#) (resid 44 and name HN)   3.395 1.595 1.595
assign (resid 43 and name HG2#) (resid 45 and name HN)   3.565 1.765 1.765
assign (resid 44 and name HA) (resid 44 and name HE21)   3.520 1.720 1.720
assign (resid 44 and name HA) (resid 44 and name HG2)   3.010 1.210 1.210
assign (resid 44 and name HB1) (resid 44 and name HE21)   3.595 1.795 1.795
assign (resid 44 and name HB1) (resid 44 and name HN)   2.925 1.125 1.125
assign (resid 44 and name HB2) (resid 44 and name HE21)   3.290 1.490 1.490
assign (resid 44 and name HB2) (resid 44 and name HE22)   3.520 1.720 1.720
assign (resid 44 and name HE21) (resid 44 and name HG2)   2.955 1.155 1.155
assign (resid 44 and name HG1) (resid 44 and name HN)   3.435 1.635 1.635
assign (resid 44 and name HG2) (resid 44 and name HN)   3.650 1.850 1.850
assign (resid 44 and name HN) (resid 45 and name HN)   3.150 1.350 1.350
assign (resid 45 and name HA) (resid 45 and name HG#)   2.775 0.975 0.975
assign (resid 45 and name HB1) (resid 45 and name HN)   2.905 1.105 1.105
assign (resid 45 and name HB1) (resid 46 and name HN)   3.350 1.550 1.550
assign (resid 45 and name HB2) (resid 46 and name HN)   3.455 1.655 1.655
assign (resid 45 and name HG#) (resid 45 and name HN)   3.285 1.485 1.485
assign (resid 45 and name HN) (resid 46 and name HN)   3.650 1.850 1.850
assign (resid 46 and name HA) (resid 46 and name HD1#)   3.530 1.730 1.730
assign (resid 46 and name HA) (resid 46 and name HG2#)   2.925 1.125 1.125
assign (resid 46 and name HA) (resid 47 and name HN)   2.720 0.920 0.920
assign (resid 46 and name HB) (resid 46 and name HD1#)   2.785 0.985 0.985
assign (resid 46 and name HG11) (resid 47 and name HN)   3.345 1.545 1.545
assign (resid 46 and name HG12) (resid 47 and name HN)   3.185 1.385 1.385
assign (resid 46 and name HG2#) (resid 46 and name HN)   3.295 1.495 1.495
assign (resid 46 and name HG2#) (resid 47 and name HN)   3.310 1.510 1.510
assign (resid 46 and name HN) (resid 47 and name HN)   3.650 1.850 1.850
assign (resid 47 and name HA) (resid 48 and name HD1#)   3.650 1.850 1.850
assign (resid 47 and name HA) (resid 48 and name HN)   2.790 0.990 0.990
assign (resid 47 and name HB1) (resid 47 and name HN)   3.165 1.365 1.365
assign (resid 47 and name HB1) (resid 48 and name HN)   3.400 1.600 1.600
assign (resid 47 and name HB2) (resid 48 and name HN)   3.420 1.620 1.620
assign (resid 48 and name HA) (resid 48 and name HD1#)   3.160 1.360 1.360
assign (resid 48 and name HA) (resid 48 and name HD2#)   3.650 1.850 1.850
assign (resid 48 and name HB#) (resid 48 and name HD1#)   2.855 1.055 1.055
assign (resid 48 and name HB#) (resid 48 and name HN)   2.760 0.960 0.960
assign (resid 48 and name HD1#) (resid 48 and name HN)   3.320 1.520 1.520
assign (resid 48 and name HD2#) (resid 48 and name HN)   3.495 1.695 1.695
assign (resid 48 and name HG) (resid 48 and name HN)   3.375 1.575 1.575

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1           HT1      GLY   1   5.934   9.110  23.250
    2   2H    GLY   1           HT2      GLY   1   6.661   7.960  24.267
    3   3H    GLY   1           HT3      GLY   1   5.575   9.099  24.907
    4   1HA   GLY   1          HA2       GLY   1   4.886   6.606  24.278
    5   2HA   GLY   1          HA1       GLY   1   3.759   7.963  24.266
    6    H    SER   2           HN       SER   2   4.813   5.442  22.421
    7    HA   SER   2           HA       SER   2   3.945   6.819  19.908
    8   1HB   SER   2          HB2       SER   2   6.407   6.676  20.002
    9   2HB   SER   2          HB1       SER   2   6.303   4.944  20.302
   10    HG   SER   2           HG       SER   2   6.567   5.900  18.017
   11    H    ALA   3           HN       ALA   3   2.026   5.756  19.493
   12    HA   ALA   3           HA       ALA   3   2.068   2.898  18.907
   13   1HB   ALA   3          HB1       ALA   3   0.451   2.318  20.712
   14   2HB   ALA   3          HB2       ALA   3   0.586   3.962  21.335
   15   3HB   ALA   3          HB3       ALA   3   1.986   2.890  21.365
   16    H    MET   4           HN       MET   4  -0.526   2.259  18.788
   17    HA   MET   4           HA       MET   4  -2.476   2.614  17.498
   18   1HB   MET   4          HB2       MET   4  -2.107   5.469  18.435
   19   2HB   MET   4          HB1       MET   4  -3.624   4.624  18.123
   20   1HG   MET   4          HG2       MET   4  -2.963   3.010  19.980
   21   2HG   MET   4          HG1       MET   4  -1.668   4.139  20.381
   22   1HE   MET   4          HE1       MET   4  -1.990   5.886  22.178
   23   2HE   MET   4          HE2       MET   4  -2.469   4.270  22.691
   24   3HE   MET   4          HE3       MET   4  -3.440   5.661  23.166
   25    H    GLY   5           HN       GLY   5  -0.080   2.728  15.982
   26   1HA   GLY   5          HA2       GLY   5  -0.955   4.547  13.823
   27   2HA   GLY   5          HA1       GLY   5   0.681   4.789  14.437
   28    H    CYS   6           HN       CYS   6  -0.481   3.704  11.805
   29    HA   CYS   6           HA       CYS   6   0.101   0.950  11.486
   30   1HB   CYS   6          HB2       CYS   6  -1.010   2.042   9.730
   31   2HB   CYS   6          HB1       CYS   6   0.093   3.412   9.754
   32    H    ARG   7           HN       ARG   7   2.229   3.786  11.482
   33    HA   ARG   7           HA       ARG   7   4.611   2.448  10.565
   34   1HB   ARG   7          HB2       ARG   7   5.668   4.490  11.646
   35   2HB   ARG   7          HB1       ARG   7   4.377   4.855  10.501
   36   1HG   ARG   7          HG2       ARG   7   3.227   4.422  13.099
   37   2HG   ARG   7          HG1       ARG   7   4.525   5.608  13.233
   38   1HD   ARG   7          HD2       ARG   7   2.455   5.808  11.036
   39   2HD   ARG   7          HD1       ARG   7   2.184   6.525  12.637
   40    HE   ARG   7           HE       ARG   7   4.687   7.430  12.069
   41   1HH1  ARG   7          HH11      ARG   7   2.469   9.357  11.875
   42   2HH1  ARG   7          HH12      ARG   7   2.526   9.855  10.217
   43   1HH2  ARG   7          HH21      ARG   7   4.478   7.173   9.205
   44   2HH2  ARG   7          HH22      ARG   7   3.663   8.617   8.704
   45    H    HIS   8           HN       HIS   8   2.893   2.404  13.553
   46    HA   HIS   8           HA       HIS   8   5.221   1.629  15.194
   47   1HB   HIS   8          HB2       HIS   8   3.686   2.898  16.397
   48   2HB   HIS   8          HB1       HIS   8   2.303   2.221  15.541
   49    HD1  HIS   8           HD1      HIS   8   4.769   1.384  18.287
   50    HD2  HIS   8           HD2      HIS   8   1.169  -0.048  16.743
   51    HE1  HIS   8           HE1      HIS   8   3.956  -0.393  19.898
   52    H    PHE   9           HN       PHE   9   2.710   0.113  13.319
   53    HA   PHE   9           HA       PHE   9   2.508  -2.423  14.585
   54   1HB   PHE   9          HB2       PHE   9   2.372  -1.527  11.690
   55   2HB   PHE   9          HB1       PHE   9   1.872  -3.126  12.235
   56    HD1  PHE   9           HD1      PHE   9  -0.141  -1.659  10.907
   57    HD2  PHE   9           HD2      PHE   9   1.094  -1.288  14.998
   58    HE1  PHE   9           HE1      PHE   9  -2.374  -0.760  11.489
   59    HE2  PHE   9           HE2      PHE   9  -1.141  -0.391  15.586
   60    HZ   PHE   9           HZ       PHE   9  -2.873  -0.122  13.835
   61    H    GLN  10           HN       GLN  10   4.067  -3.982  14.863
   62    HA   GLN  10           HA       GLN  10   6.740  -3.701  13.813
   63   1HB   GLN  10          HB2       GLN  10   5.346  -5.165  15.770
   64   2HB   GLN  10          HB1       GLN  10   6.028  -6.377  14.683
   65   1HG   GLN  10          HG2       GLN  10   8.122  -5.988  15.427
   66   2HG   GLN  10          HG1       GLN  10   7.933  -4.245  15.232
   67   1HE2  GLN  10          HE21      GLN  10   9.240  -4.418  17.413
   68   2HE2  GLN  10          HE22      GLN  10   8.311  -4.496  18.831
   69    H    SER  11           HN       SER  11   3.932  -5.650  12.842
   70    HA   SER  11           HA       SER  11   5.534  -6.707  10.537
   71   1HB   SER  11          HB2       SER  11   4.074  -7.994  12.472
   72   2HB   SER  11          HB1       SER  11   2.887  -7.857  11.178
   73    HG   SER  11           HG       SER  11   4.646  -8.690   9.795
   74    H    CYS  12           HN       CYS  12   3.632  -7.378   8.769
   75    HA   CYS  12           HA       CYS  12   2.508  -4.756   7.950
   76   1HB   CYS  12          HB2       CYS  12   3.537  -5.554   6.085
   77   2HB   CYS  12          HB1       CYS  12   3.598  -7.190   6.725
   78    H    SER  13           HN       SER  13   1.492  -7.597   9.504
   79    HA   SER  13           HA       SER  13  -1.072  -8.129   8.443
   80   1HB   SER  13          HB2       SER  13   0.510  -8.738  10.731
   81   2HB   SER  13          HB1       SER  13  -1.081  -8.258  11.315
   82    HG   SER  13           HG       SER  13  -1.687 -10.170  10.710
   83    H    GLN  14           HN       GLN  14  -0.366  -6.043  11.278
   84    HA   GLN  14           HA       GLN  14  -3.015  -4.877  11.305
   85   1HB   GLN  14          HB2       GLN  14  -1.096  -5.193  13.104
   86   2HB   GLN  14          HB1       GLN  14  -0.599  -3.600  12.538
   87   1HG   GLN  14          HG2       GLN  14  -2.121  -2.805  14.020
   88   2HG   GLN  14          HG1       GLN  14  -3.322  -3.292  12.823
   89   1HE2  GLN  14          HE21      GLN  14  -1.738  -4.294  15.851
   90   2HE2  GLN  14          HE22      GLN  14  -2.873  -5.495  16.243
   91    H    CYS  15           HN       CYS  15   0.006  -4.047   9.714
   92    HA   CYS  15           HA       CYS  15  -0.425  -1.279   9.181
   93   1HB   CYS  15          HB2       CYS  15   1.104  -3.565   8.041
   94   2HB   CYS  15          HB1       CYS  15   0.924  -2.145   7.010
   95    H    LEU  16           HN       LEU  16  -1.540  -4.189   7.482
   96    HA   LEU  16           HA       LEU  16  -3.154  -2.445   5.665
   97   1HB   LEU  16          HB2       LEU  16  -1.923  -5.193   5.500
   98   2HB   LEU  16          HB1       LEU  16  -3.225  -4.730   4.401
   99    HG   LEU  16           HG       LEU  16  -1.911  -2.755   3.688
  100   1HD1  LEU  16          HD11      LEU  16   0.617  -2.956   4.380
  101   2HD1  LEU  16          HD12      LEU  16  -0.031  -3.825   5.771
  102   3HD1  LEU  16          HD13      LEU  16  -0.522  -2.159   5.466
  103   1HD2  LEU  16          HD21      LEU  16  -0.246  -5.280   3.514
  104   2HD2  LEU  16          HD22      LEU  16  -0.293  -3.953   2.355
  105   3HD2  LEU  16          HD23      LEU  16  -1.697  -5.003   2.550
  106    H    SER  17           HN       SER  17  -3.480  -4.176   8.487
  107    HA   SER  17           HA       SER  17  -6.191  -5.237   7.823
  108   1HB   SER  17          HB2       SER  17  -4.247  -5.609  10.113
  109   2HB   SER  17          HB1       SER  17  -5.881  -6.259  10.145
  110    HG   SER  17           HG       SER  17  -4.035  -6.733   8.046
  111    H    ALA  18           HN       ALA  18  -4.732  -2.462   9.162
  112    HA   ALA  18           HA       ALA  18  -7.342  -1.662  10.374
  113   1HB   ALA  18          HB1       ALA  18  -4.605  -1.412  11.666
  114   2HB   ALA  18          HB2       ALA  18  -5.829  -2.600  12.115
  115   3HB   ALA  18          HB3       ALA  18  -6.132  -0.882  12.371
  116    HA   PRO  19           HA       PRO  19  -5.118   1.554   7.801
  117   1HB   PRO  19          HB2       PRO  19  -6.921   1.688   5.750
  118   2HB   PRO  19          HB1       PRO  19  -5.522   0.598   5.763
  119   1HG   PRO  19          HG2       PRO  19  -8.377   0.011   6.279
  120   2HG   PRO  19          HG1       PRO  19  -7.129  -0.994   5.533
  121   1HD   PRO  19          HD2       PRO  19  -8.029  -1.268   8.133
  122   2HD   PRO  19          HD1       PRO  19  -6.477  -1.873   7.520
  123    HA   PRO  20           HA       PRO  20  -9.241   3.960   8.349
  124   1HB   PRO  20          HB2       PRO  20 -11.016   2.950  10.164
  125   2HB   PRO  20          HB1       PRO  20 -11.094   2.582   8.430
  126   1HG   PRO  20          HG2       PRO  20 -10.045   0.938  10.669
  127   2HG   PRO  20          HG1       PRO  20 -10.925   0.441   9.215
  128   1HD   PRO  20          HD2       PRO  20  -8.223   0.189   9.546
  129   2HD   PRO  20          HD1       PRO  20  -9.024   0.297   7.967
  130    H    PHE  21           HN       PHE  21  -7.416   2.318  10.753
  131    HA   PHE  21           HA       PHE  21  -7.839   4.542  12.714
  132   1HB   PHE  21          HB2       PHE  21  -6.477   1.884  13.197
  133   2HB   PHE  21          HB1       PHE  21  -7.247   2.946  14.378
  134    HD1  PHE  21           HD1      PHE  21  -7.699  -0.132  13.333
  135    HD2  PHE  21           HD2      PHE  21  -9.789   3.607  13.002
  136    HE1  PHE  21           HE1      PHE  21  -9.835  -1.353  13.029
  137    HE2  PHE  21           HE2      PHE  21 -11.925   2.384  12.698
  138    HZ   PHE  21           HZ       PHE  21 -11.949  -0.096  12.711
  139    H    VAL  22           HN       VAL  22  -5.718   3.457  10.337
  140    HA   VAL  22           HA       VAL  22  -3.453   4.997  11.556
  141    HB   VAL  22           HB       VAL  22  -1.945   3.284  10.764
  142   1HG1  VAL  22          HG11      VAL  22  -3.202   2.834  12.890
  143   2HG1  VAL  22          HG12      VAL  22  -2.685   1.367  12.058
  144   3HG1  VAL  22          HG13      VAL  22  -4.364   1.896  11.951
  145   1HG2  VAL  22          HG21      VAL  22  -4.308   2.558   9.138
  146   2HG2  VAL  22          HG22      VAL  22  -3.375   1.194   9.752
  147   3HG2  VAL  22          HG23      VAL  22  -2.592   2.419   8.754
  148    H    GLN  23           HN       GLN  23  -1.842   5.622   9.751
  149    HA   GLN  23           HA       GLN  23  -3.296   6.128   7.176
  150   1HB   GLN  23          HB2       GLN  23  -3.301   8.114   8.601
  151   2HB   GLN  23          HB1       GLN  23  -1.558   7.981   8.835
  152   1HG   GLN  23          HG2       GLN  23  -1.173   9.111   6.929
  153   2HG   GLN  23          HG1       GLN  23  -2.150   7.962   6.015
  154   1HE2  GLN  23          HE21      GLN  23  -2.662  10.705   8.318
  155   2HE2  GLN  23          HE22      GLN  23  -4.012  11.327   7.498
  156    H    CYS  24           HN       CYS  24  -0.457   4.978   8.722
  157    HA   CYS  24           HA       CYS  24   1.404   5.537   6.540
  158   1HB   CYS  24          HB2       CYS  24   2.763   5.159   8.305
  159   2HB   CYS  24          HB1       CYS  24   1.398   4.612   9.262
  160    H    GLY  25           HN       GLY  25   2.631   3.532   5.645
  161   1HA   GLY  25          HA2       GLY  25   0.929   1.178   5.121
  162   2HA   GLY  25          HA1       GLY  25   1.334   2.169   3.718
  163    H    TRP  26           HN       TRP  26   2.382  -0.206   3.347
  164    HA   TRP  26           HA       TRP  26   5.008  -0.426   4.696
  165   1HB   TRP  26          HB2       TRP  26   3.308  -2.286   4.004
  166   2HB   TRP  26          HB1       TRP  26   3.976  -2.083   2.390
  167    HD1  TRP  26           HD1      TRP  26   6.282  -3.148   1.896
  168    HE1  TRP  26           HE1      TRP  26   7.959  -4.530   3.285
  169    HE3  TRP  26           HE3      TRP  26   4.273  -2.556   6.548
  170    HZ2  TRP  26           HZ2      TRP  26   8.390  -5.284   6.015
  171    HZ3  TRP  26           HZ3      TRP  26   5.330  -3.619   8.523
  172    HH2  TRP  26           HH2      TRP  26   7.384  -4.980   8.261
  173    H    CYS  27           HN       CYS  27   6.932   0.251   3.733
  174    HA   CYS  27           HA       CYS  27   6.784   1.162   0.875
  175   1HB   CYS  27          HB2       CYS  27   6.647   2.820   2.952
  176   2HB   CYS  27          HB1       CYS  27   8.397   2.616   2.939
  177    H    HIS  28           HN       HIS  28   8.036  -0.540   0.052
  178    HA   HIS  28           HA       HIS  28   9.961  -1.833  -0.382
  179   1HB   HIS  28          HB2       HIS  28  10.697   0.996   0.146
  180   2HB   HIS  28          HB1       HIS  28  12.025  -0.157   0.020
  181    HD1  HIS  28           HD1      HIS  28   8.749   0.107  -1.931
  182    HD2  HIS  28           HD2      HIS  28  12.861  -0.026  -2.605
  183    HE1  HIS  28           HE1      HIS  28   9.065   0.106  -4.445
  184    H    ASP  29           HN       ASP  29   9.176  -1.361   2.783
  185    HA   ASP  29           HA       ASP  29  10.887  -3.323   3.827
  186   1HB   ASP  29          HB2       ASP  29  12.436  -1.597   5.101
  187   2HB   ASP  29          HB1       ASP  29  12.836  -2.117   3.466
  188    H    LYS  30           HN       LYS  30  10.619  -0.145   5.396
  189    HA   LYS  30           HA       LYS  30   9.152  -1.397   7.631
  190   1HB   LYS  30          HB2       LYS  30  11.073   0.066   8.025
  191   2HB   LYS  30          HB1       LYS  30  10.303   1.364   7.114
  192   1HG   LYS  30          HG2       LYS  30   9.924   1.859   9.423
  193   2HG   LYS  30          HG1       LYS  30   8.394   1.245   8.799
  194   1HD   LYS  30          HD2       LYS  30   8.734  -0.898   9.792
  195   2HD   LYS  30          HD1       LYS  30  10.429  -0.549  10.133
  196   1HE   LYS  30          HE2       LYS  30   9.477   1.427  11.572
  197   2HE   LYS  30          HE1       LYS  30   7.975   0.482  11.542
  198   1HZ   LYS  30          HZ1       LYS  30   9.974   0.014  13.256
  199   2HZ   LYS  30          HZ2       LYS  30  10.402  -1.040  11.995
  200   3HZ   LYS  30          HZ3       LYS  30   8.881  -1.175  12.741
  201    H    CYS  31           HN       CYS  31   7.199  -0.328   8.507
  202    HA   CYS  31           HA       CYS  31   5.308   0.357   6.370
  203   1HB   CYS  31          HB2       CYS  31   5.204  -0.967   8.767
  204   2HB   CYS  31          HB1       CYS  31   4.523   0.600   9.207
  205    H    VAL  32           HN       VAL  32   5.576   2.438   5.620
  206    HA   VAL  32           HA       VAL  32   5.162   4.647   7.568
  207    HB   VAL  32           HB       VAL  32   7.098   5.837   6.696
  208   1HG1  VAL  32          HG11      VAL  32   7.310   3.825   8.383
  209   2HG1  VAL  32          HG12      VAL  32   8.766   4.558   7.711
  210   3HG1  VAL  32          HG13      VAL  32   8.151   3.046   7.044
  211   1HG2  VAL  32          HG21      VAL  32   7.577   3.440   4.903
  212   2HG2  VAL  32          HG22      VAL  32   8.482   4.954   4.923
  213   3HG2  VAL  32          HG23      VAL  32   6.814   4.931   4.352
  214    H    ARG  33           HN       ARG  33   4.866   6.777   6.155
  215    HA   ARG  33           HA       ARG  33   3.226   6.001   3.770
  216   1HB   ARG  33          HB2       ARG  33   2.422   7.232   6.042
  217   2HB   ARG  33          HB1       ARG  33   2.881   8.645   5.090
  218   1HG   ARG  33          HG2       ARG  33   1.514   7.109   3.250
  219   2HG   ARG  33          HG1       ARG  33   0.615   6.812   4.735
  220   1HD   ARG  33          HD2       ARG  33   0.337   9.231   5.087
  221   2HD   ARG  33          HD1       ARG  33   1.290   9.562   3.627
  222    HE   ARG  33           HE       ARG  33  -1.387   8.239   3.656
  223   1HH1  ARG  33          HH21      ARG  33   0.552   7.397   1.448
  224   2HH1  ARG  33          HH22      ARG  33   0.087   8.472   0.172
  225   1HH2  ARG  33          HH11      ARG  33  -1.682  10.605   2.255
  226   2HH2  ARG  33          HH12      ARG  33  -1.176  10.288   0.630
  227    H    SER  34           HN       SER  34   3.029   7.978   2.214
  228    HA   SER  34           HA       SER  34   5.332   8.448   0.789
  229   1HB   SER  34          HB2       SER  34   4.144  10.703   0.244
  230   2HB   SER  34          HB1       SER  34   3.276   9.205  -0.085
  231    HG   SER  34           HG       SER  34   1.869   9.755   1.371
  232    H    GLU  35           HN       GLU  35   4.147  10.622   3.385
  233    HA   GLU  35           HA       GLU  35   6.108  12.568   3.451
  234   1HB   GLU  35          HB2       GLU  35   4.223  11.319   5.254
  235   2HB   GLU  35          HB1       GLU  35   5.685  11.768   6.132
  236   1HG   GLU  35          HG2       GLU  35   4.259  13.668   4.260
  237   2HG   GLU  35          HG1       GLU  35   3.894  13.575   5.983
  238    H    GLU  36           HN       GLU  36   6.464   9.187   4.367
  239    HA   GLU  36           HA       GLU  36   9.192   9.693   5.446
  240   1HB   GLU  36          HB2       GLU  36   7.080   7.614   5.614
  241   2HB   GLU  36          HB1       GLU  36   8.740   7.020   5.668
  242   1HG   GLU  36          HG2       GLU  36   7.806   9.317   7.395
  243   2HG   GLU  36          HG1       GLU  36   7.677   7.638   7.920
  244    H    CYS  37           HN       CYS  37   7.528   7.981   2.804
  245    HA   CYS  37           HA       CYS  37   9.918   6.732   1.738
  246   1HB   CYS  37          HB2       CYS  37   7.294   7.455   0.391
  247   2HB   CYS  37          HB1       CYS  37   8.433   6.217  -0.136
  248    H    LEU  38           HN       LEU  38  11.590   8.035   1.034
  249    HA   LEU  38           HA       LEU  38  11.158  10.710  -0.043
  250   1HB   LEU  38          HB2       LEU  38  13.610   8.926  -0.120
  251   2HB   LEU  38          HB1       LEU  38  13.579  10.687  -0.212
  252    HG   LEU  38           HG       LEU  38  12.819   8.963   2.159
  253   1HD1  LEU  38          HD11      LEU  38  14.863  11.184   1.878
  254   2HD1  LEU  38          HD12      LEU  38  15.250   9.469   1.739
  255   3HD1  LEU  38          HD13      LEU  38  14.641  10.115   3.263
  256   1HD2  LEU  38          HD21      LEU  38  12.236  11.066   3.292
  257   2HD2  LEU  38          HD22      LEU  38  11.223  10.845   1.865
  258   3HD2  LEU  38          HD23      LEU  38  12.580  11.971   1.817
  259    H    SER  39           HN       SER  39  10.931   7.583  -1.357
  260    HA   SER  39           HA       SER  39  11.802   8.334  -4.081
  261   1HB   SER  39          HB2       SER  39  11.787   6.029  -2.614
  262   2HB   SER  39          HB1       SER  39  10.316   5.824  -3.560
  263    HG   SER  39           HG       SER  39  12.531   6.765  -4.933
  264    H    GLY  40           HN       GLY  40   8.891   8.228  -2.189
  265   1HA   GLY  40          HA2       GLY  40   6.825   9.255  -2.848
  266   2HA   GLY  40          HA1       GLY  40   7.355   9.183  -4.530
  267    H    THR  41           HN       THR  41   8.129   6.233  -3.391
  268    HA   THR  41           HA       THR  41   5.689   5.015  -4.543
  269    HB   THR  41           HB       THR  41   8.045   4.372  -5.155
  270    HG1  THR  41           HG1      THR  41   6.253   2.525  -4.013
  271   1HG2  THR  41          HG21      THR  41   8.693   4.613  -2.610
  272   2HG2  THR  41          HG22      THR  41   9.511   3.422  -3.622
  273   3HG2  THR  41          HG23      THR  41   8.213   2.917  -2.540
  274    H    TRP  42           HN       TRP  42   4.104   4.142  -3.267
  275    HA   TRP  42           HA       TRP  42   4.763   3.413  -0.436
  276   1HB   TRP  42          HB2       TRP  42   3.775   5.697  -0.626
  277   2HB   TRP  42          HB1       TRP  42   2.377   5.001  -1.446
  278    HD1  TRP  42           HD1      TRP  42   4.245   4.669   1.922
  279    HE1  TRP  42           HE1      TRP  42   2.515   4.087   3.743
  280    HE3  TRP  42           HE3      TRP  42   0.049   4.236  -0.956
  281    HZ2  TRP  42           HZ2      TRP  42  -0.286   3.518   3.949
  282    HZ3  TRP  42           HZ3      TRP  42  -2.132   3.671   0.076
  283    HH2  TRP  42           HH2      TRP  42  -2.305   3.313   2.522
  284    H    THR  43           HN       THR  43   4.191   1.255  -0.213
  285    HA   THR  43           HA       THR  43   1.929   0.258  -1.909
  286    HB   THR  43           HB       THR  43   4.083  -0.772  -2.385
  287    HG1  THR  43           HG1      THR  43   3.043  -2.568  -2.513
  288   1HG2  THR  43          HG21      THR  43   4.154  -1.322   0.591
  289   2HG2  THR  43          HG22      THR  43   5.259  -0.295  -0.323
  290   3HG2  THR  43          HG23      THR  43   5.264  -2.041  -0.575
  291    H    GLN  44           HN       GLN  44   0.120  -0.396  -0.880
  292    HA   GLN  44           HA       GLN  44   0.246  -0.885   2.078
  293   1HB   GLN  44          HB2       GLN  44  -0.936   1.171   1.409
  294   2HB   GLN  44          HB1       GLN  44  -1.954   0.242   0.309
  295   1HG   GLN  44          HG2       GLN  44  -3.381  -0.138   2.004
  296   2HG   GLN  44          HG1       GLN  44  -2.112  -1.035   2.834
  297   1HE2  GLN  44          HE21      GLN  44  -4.166   1.588   3.219
  298   2HE2  GLN  44          HE22      GLN  44  -3.275   2.457   4.373
  299    H    GLN  45           HN       GLN  45   0.611  -2.843  -0.138
  300    HA   GLN  45           HA       GLN  45  -1.479  -4.777   0.695
  301   1HB   GLN  45          HB2       GLN  45  -1.975  -5.251  -1.712
  302   2HB   GLN  45          HB1       GLN  45  -2.412  -3.606  -1.247
  303   1HG   GLN  45          HG2       GLN  45   0.288  -3.469  -2.030
  304   2HG   GLN  45          HG1       GLN  45  -0.502  -4.485  -3.237
  305   1HE2  GLN  45          HE21      GLN  45   0.425  -1.816  -3.839
  306   2HE2  GLN  45          HE22      GLN  45  -0.934  -0.854  -4.167
  307    H    ILE  46           HN       ILE  46   0.015  -6.277   1.503
  308    HA   ILE  46           HA       ILE  46   1.913  -7.449  -0.475
  309    HB   ILE  46           HB       ILE  46   2.601  -6.456   2.312
  310   1HG1  ILE  46          HG12      ILE  46   2.365  -4.688   0.555
  311   2HG1  ILE  46          HG11      ILE  46   4.016  -4.841   1.152
  312   1HG2  ILE  46          HG21      ILE  46   3.982  -8.319   2.027
  313   2HG2  ILE  46          HG22      ILE  46   4.974  -7.031   1.343
  314   3HG2  ILE  46          HG23      ILE  46   4.072  -8.110   0.279
  315   1HD1  ILE  46          HD11      ILE  46   3.464  -6.624  -1.103
  316   2HD1  ILE  46          HD12      ILE  46   4.796  -5.493  -0.867
  317   3HD1  ILE  46          HD13      ILE  46   3.258  -4.922  -1.513
  318    H    CYS  47           HN       CYS  47   0.677  -7.679   2.881
  319    HA   CYS  47           HA       CYS  47   1.177 -10.541   3.056
  320   1HB   CYS  47          HB2       CYS  47  -0.485  -8.595   4.688
  321   2HB   CYS  47          HB1       CYS  47  -0.097 -10.241   5.188
  322    H    LEU  48           HN       LEU  48  -0.516 -12.176   3.216
  323    HA   LEU  48           HA       LEU  48  -2.932 -11.499   1.579
  324   1HB   LEU  48          HB2       LEU  48  -1.270 -13.984   2.028
  325   2HB   LEU  48          HB1       LEU  48  -2.865 -14.065   1.280
  326    HG   LEU  48           HG       LEU  48  -0.874 -12.079   0.240
  327   1HD1  LEU  48          HD11      LEU  48  -0.910 -14.699  -1.118
  328   2HD1  LEU  48          HD12      LEU  48  -0.131 -14.709   0.464
  329   3HD1  LEU  48          HD13      LEU  48   0.445 -13.617  -0.797
  330   1HD2  LEU  48          HD21      LEU  48  -3.022 -13.783  -1.061
  331   2HD2  LEU  48          HD22      LEU  48  -2.103 -12.498  -1.845
  332   3HD2  LEU  48          HD23      LEU  48  -3.231 -12.110  -0.547
  Start of MODEL    2
    1   1H    GLY   1           HT1      GLY   1   2.209   2.495  23.867
    2   2H    GLY   1           HT2      GLY   1   3.616   1.850  24.567
    3   3H    GLY   1           HT3      GLY   1   2.397   2.501  25.553
    4   1HA   GLY   1          HA2       GLY   1   2.646  -0.130  24.462
    5   2HA   GLY   1          HA1       GLY   1   1.612   0.448  25.771
    6    H    SER   2           HN       SER   2   0.256   2.481  24.234
    7    HA   SER   2           HA       SER   2  -1.721   0.778  22.891
    8   1HB   SER   2          HB2       SER   2  -2.542   2.547  24.253
    9   2HB   SER   2          HB1       SER   2  -1.415   3.711  23.557
   10    HG   SER   2           HG       SER   2  -3.563   2.418  22.214
   11    H    ALA   3           HN       ALA   3  -2.572   1.626  20.682
   12    HA   ALA   3           HA       ALA   3  -0.229   1.938  18.874
   13   1HB   ALA   3          HB1       ALA   3  -3.003   1.551  17.872
   14   2HB   ALA   3          HB2       ALA   3  -2.340   0.249  18.858
   15   3HB   ALA   3          HB3       ALA   3  -1.513   0.748  17.382
   16    H    MET   4           HN       MET   4   0.238   4.002  18.244
   17    HA   MET   4           HA       MET   4  -2.002   5.987  18.059
   18   1HB   MET   4          HB2       MET   4  -0.266   7.641  18.455
   19   2HB   MET   4          HB1       MET   4  -0.069   6.356  19.649
   20   1HG   MET   4          HG2       MET   4   1.508   5.329  17.767
   21   2HG   MET   4          HG1       MET   4   1.633   7.020  17.281
   22   1HE   MET   4          HE1       MET   4   3.856   6.259  17.454
   23   2HE   MET   4          HE2       MET   4   4.785   5.872  18.900
   24   3HE   MET   4          HE3       MET   4   4.561   7.555  18.430
   25    H    GLY   5           HN       GLY   5  -0.721   3.896  16.063
   26   1HA   GLY   5          HA2       GLY   5  -1.347   4.954  13.632
   27   2HA   GLY   5          HA1       GLY   5   0.250   5.650  13.918
   28    H    CYS   6           HN       CYS   6  -0.897   3.416  12.072
   29    HA   CYS   6           HA       CYS   6   0.122   0.886  12.707
   30   1HB   CYS   6          HB2       CYS   6   0.446   0.767  10.152
   31   2HB   CYS   6          HB1       CYS   6  -1.164   1.198  10.729
   32    H    ARG   7           HN       ARG   7   1.899   3.806  12.075
   33    HA   ARG   7           HA       ARG   7   4.357   2.853  11.076
   34   1HB   ARG   7          HB2       ARG   7   3.847   4.983  13.179
   35   2HB   ARG   7          HB1       ARG   7   5.256   4.885  12.124
   36   1HG   ARG   7          HG2       ARG   7   3.366   4.845  10.234
   37   2HG   ARG   7          HG1       ARG   7   2.460   5.705  11.480
   38   1HD   ARG   7          HD2       ARG   7   5.089   6.823  11.422
   39   2HD   ARG   7          HD1       ARG   7   4.487   6.760   9.754
   40    HE   ARG   7           HE       ARG   7   3.498   8.544  11.730
   41   1HH1  ARG   7          HH11      ARG   7   2.838   7.493   8.683
   42   2HH1  ARG   7          HH12      ARG   7   1.120   7.694   8.759
   43   1HH2  ARG   7          HH21      ARG   7   1.073   8.249  12.183
   44   2HH2  ARG   7          HH22      ARG   7   0.120   8.123  10.742
   45    H    HIS   8           HN       HIS   8   2.884   2.257  14.158
   46    HA   HIS   8           HA       HIS   8   5.489   1.397  15.330
   47   1HB   HIS   8          HB2       HIS   8   4.562   2.041  17.315
   48   2HB   HIS   8          HB1       HIS   8   3.393   2.881  16.303
   49    HD1  HIS   8           HD1      HIS   8   3.665   0.259  18.835
   50    HD2  HIS   8           HD2      HIS   8   0.955   1.237  15.823
   51    HE1  HIS   8           HE1      HIS   8   1.534  -1.008  19.351
   52    H    PHE   9           HN       PHE   9   2.583   0.144  13.922
   53    HA   PHE   9           HA       PHE   9   2.137  -2.327  15.097
   54   1HB   PHE   9          HB2       PHE   9   2.274  -1.421  12.214
   55   2HB   PHE   9          HB1       PHE   9   1.744  -3.044  12.641
   56    HD1  PHE   9           HD1      PHE   9  -0.240  -1.727  11.249
   57    HD2  PHE   9           HD2      PHE   9   0.793  -1.138  15.378
   58    HE1  PHE   9           HE1      PHE   9  -2.522  -0.871  11.696
   59    HE2  PHE   9           HE2      PHE   9  -1.489  -0.284  15.822
   60    HZ   PHE   9           HZ       PHE   9  -3.146  -0.148  13.984
   61    H    GLN  10           HN       GLN  10   3.043  -4.456  14.728
   62    HA   GLN  10           HA       GLN  10   5.930  -4.536  14.688
   63   1HB   GLN  10          HB2       GLN  10   4.694  -6.137  15.972
   64   2HB   GLN  10          HB1       GLN  10   3.711  -6.594  14.580
   65   1HG   GLN  10          HG2       GLN  10   5.194  -8.224  14.127
   66   2HG   GLN  10          HG1       GLN  10   6.405  -6.983  13.805
   67   1HE2  GLN  10          HE21      GLN  10   8.050  -6.638  15.391
   68   2HE2  GLN  10          HE22      GLN  10   8.165  -7.551  16.816
   69    H    SER  11           HN       SER  11   4.135  -6.777  12.658
   70    HA   SER  11           HA       SER  11   5.986  -6.204  10.417
   71   1HB   SER  11          HB2       SER  11   4.044  -8.354  11.213
   72   2HB   SER  11          HB1       SER  11   4.603  -8.266   9.546
   73    HG   SER  11           HG       SER  11   5.934  -8.996  11.843
   74    H    CYS  12           HN       CYS  12   4.507  -6.806   8.217
   75    HA   CYS  12           HA       CYS  12   2.926  -4.398   7.788
   76   1HB   CYS  12          HB2       CYS  12   2.731  -5.351   5.522
   77   2HB   CYS  12          HB1       CYS  12   4.390  -5.495   6.100
   78    H    SER  13           HN       SER  13   2.202  -7.372   9.199
   79    HA   SER  13           HA       SER  13  -0.345  -8.059   8.165
   80   1HB   SER  13          HB2       SER  13   1.326  -9.040  10.019
   81   2HB   SER  13          HB1       SER  13   0.199  -8.224  11.099
   82    HG   SER  13           HG       SER  13  -0.444 -10.120   9.078
   83    H    GLN  14           HN       GLN  14   0.288  -6.145  11.142
   84    HA   GLN  14           HA       GLN  14  -2.438  -5.220  11.358
   85   1HB   GLN  14          HB2       GLN  14  -0.519  -5.440  13.096
   86   2HB   GLN  14          HB1       GLN  14   0.006  -3.866  12.498
   87   1HG   GLN  14          HG2       GLN  14  -1.452  -3.015  14.014
   88   2HG   GLN  14          HG1       GLN  14  -2.696  -3.473  12.849
   89   1HE2  GLN  14          HE21      GLN  14  -4.348  -4.263  14.218
   90   2HE2  GLN  14          HE22      GLN  14  -4.128  -5.523  15.334
   91    H    CYS  15           HN       CYS  15   0.496  -3.882   9.884
   92    HA   CYS  15           HA       CYS  15  -0.293  -1.215   9.451
   93   1HB   CYS  15          HB2       CYS  15   1.519  -3.221   8.246
   94   2HB   CYS  15          HB1       CYS  15   1.104  -1.867   7.194
   95    H    LEU  16           HN       LEU  16  -1.124  -4.137   7.605
   96    HA   LEU  16           HA       LEU  16  -2.881  -2.485   5.843
   97   1HB   LEU  16          HB2       LEU  16  -1.480  -5.139   5.666
   98   2HB   LEU  16          HB1       LEU  16  -2.866  -4.818   4.622
   99    HG   LEU  16           HG       LEU  16  -1.751  -2.726   3.844
  100   1HD1  LEU  16          HD11      LEU  16  -0.211  -1.970   5.361
  101   2HD1  LEU  16          HD12      LEU  16   0.888  -2.972   4.412
  102   3HD1  LEU  16          HD13      LEU  16   0.198  -3.596   5.910
  103   1HD2  LEU  16          HD21      LEU  16  -0.020  -5.201   3.541
  104   2HD2  LEU  16          HD22      LEU  16  -0.094  -3.833   2.430
  105   3HD2  LEU  16          HD23      LEU  16  -1.493  -4.890   2.620
  106    H    SER  17           HN       SER  17  -3.095  -4.297   8.652
  107    HA   SER  17           HA       SER  17  -5.728  -5.523   8.012
  108   1HB   SER  17          HB2       SER  17  -3.906  -6.698   9.293
  109   2HB   SER  17          HB1       SER  17  -4.108  -5.508  10.576
  110    HG   SER  17           HG       SER  17  -6.452  -6.207  10.351
  111    H    ALA  18           HN       ALA  18  -4.491  -2.596   9.235
  112    HA   ALA  18           HA       ALA  18  -7.193  -1.876  10.279
  113   1HB   ALA  18          HB1       ALA  18  -6.383  -1.413  12.387
  114   2HB   ALA  18          HB2       ALA  18  -4.794  -0.946  11.781
  115   3HB   ALA  18          HB3       ALA  18  -5.212  -2.653  11.938
  116    HA   PRO  19           HA       PRO  19  -5.032   1.316   7.645
  117   1HB   PRO  19          HB2       PRO  19  -6.814   1.317   5.565
  118   2HB   PRO  19          HB1       PRO  19  -5.376   0.281   5.635
  119   1HG   PRO  19          HG2       PRO  19  -8.214  -0.394   6.127
  120   2HG   PRO  19          HG1       PRO  19  -6.918  -1.378   5.442
  121   1HD   PRO  19          HD2       PRO  19  -7.855  -1.588   8.035
  122   2HD   PRO  19          HD1       PRO  19  -6.271  -2.159   7.471
  123    HA   PRO  20           HA       PRO  20  -9.214   3.626   8.087
  124   1HB   PRO  20          HB2       PRO  20 -11.019   2.589   9.857
  125   2HB   PRO  20          HB1       PRO  20 -11.041   2.208   8.124
  126   1HG   PRO  20          HG2       PRO  20 -10.043   0.595  10.404
  127   2HG   PRO  20          HG1       PRO  20 -10.842   0.076   8.914
  128   1HD   PRO  20          HD2       PRO  20  -8.142  -0.096   9.378
  129   2HD   PRO  20          HD1       PRO  20  -8.884  -0.054   7.769
  130    H    PHE  21           HN       PHE  21  -7.782   1.851  10.768
  131    HA   PHE  21           HA       PHE  21  -8.166   4.160  12.608
  132   1HB   PHE  21          HB2       PHE  21  -6.895   1.444  13.068
  133   2HB   PHE  21          HB1       PHE  21  -7.491   2.559  14.298
  134    HD1  PHE  21           HD1      PHE  21  -8.297  -0.452  13.321
  135    HD2  PHE  21           HD2      PHE  21 -10.030   3.468  13.034
  136    HE1  PHE  21           HE1      PHE  21 -10.555  -1.462  13.144
  137    HE2  PHE  21           HE2      PHE  21 -12.287   2.457  12.856
  138    HZ   PHE  21           HZ       PHE  21 -12.550  -0.008  12.912
  139    H    VAL  22           HN       VAL  22  -6.071   3.529  10.218
  140    HA   VAL  22           HA       VAL  22  -3.807   4.838  11.659
  141    HB   VAL  22           HB       VAL  22  -2.279   3.189  10.835
  142   1HG1  VAL  22          HG11      VAL  22  -3.501   2.430  12.789
  143   2HG1  VAL  22          HG12      VAL  22  -3.277   1.059  11.704
  144   3HG1  VAL  22          HG13      VAL  22  -4.839   1.873  11.783
  145   1HG2  VAL  22          HG21      VAL  22  -4.593   2.451   9.064
  146   2HG2  VAL  22          HG22      VAL  22  -3.358   1.248   9.432
  147   3HG2  VAL  22          HG23      VAL  22  -2.913   2.751   8.623
  148    H    GLN  23           HN       GLN  23  -2.014   5.062   9.603
  149    HA   GLN  23           HA       GLN  23  -3.488   6.068   7.219
  150   1HB   GLN  23          HB2       GLN  23  -3.497   8.015   8.534
  151   2HB   GLN  23          HB1       GLN  23  -1.925   7.654   9.245
  152   1HG   GLN  23          HG2       GLN  23  -0.819   8.716   7.581
  153   2HG   GLN  23          HG1       GLN  23  -1.793   7.933   6.335
  154   1HE2  GLN  23          HE21      GLN  23  -4.025   8.911   5.967
  155   2HE2  GLN  23          HE22      GLN  23  -4.226  10.576   6.226
  156    H    CYS  24           HN       CYS  24  -0.364   5.366   8.783
  157    HA   CYS  24           HA       CYS  24   1.273   5.780   6.470
  158   1HB   CYS  24          HB2       CYS  24   2.962   4.846   7.814
  159   2HB   CYS  24          HB1       CYS  24   1.820   5.463   9.003
  160    H    GLY  25           HN       GLY  25   2.513   3.878   5.458
  161   1HA   GLY  25          HA2       GLY  25   0.903   1.422   5.080
  162   2HA   GLY  25          HA1       GLY  25   1.187   2.419   3.649
  163    H    TRP  26           HN       TRP  26   2.308   0.080   3.252
  164    HA   TRP  26           HA       TRP  26   5.017  -0.017   4.438
  165   1HB   TRP  26          HB2       TRP  26   3.326  -1.947   3.828
  166   2HB   TRP  26          HB1       TRP  26   3.997  -1.762   2.208
  167    HD1  TRP  26           HD1      TRP  26   6.503  -2.452   1.814
  168    HE1  TRP  26           HE1      TRP  26   8.194  -3.789   3.227
  169    HE3  TRP  26           HE3      TRP  26   4.075  -2.480   6.307
  170    HZ2  TRP  26           HZ2      TRP  26   8.487  -4.735   5.905
  171    HZ3  TRP  26           HZ3      TRP  26   5.081  -3.609   8.272
  172    HH2  TRP  26           HH2      TRP  26   7.280  -4.738   8.078
  173    H    CYS  27           HN       CYS  27   6.892   0.552   3.305
  174    HA   CYS  27           HA       CYS  27   6.557   1.458   0.471
  175   1HB   CYS  27          HB2       CYS  27   6.562   3.119   2.617
  176   2HB   CYS  27          HB1       CYS  27   8.290   3.052   2.271
  177    H    HIS  28           HN       HIS  28   7.837  -0.179  -0.427
  178    HA   HIS  28           HA       HIS  28   9.797  -1.395  -0.946
  179   1HB   HIS  28          HB2       HIS  28  10.048   1.272  -1.272
  180   2HB   HIS  28          HB1       HIS  28  11.379   0.989  -0.151
  181    HD1  HIS  28           HD1      HIS  28  10.893   1.205  -3.607
  182    HD2  HIS  28           HD2      HIS  28  12.821  -1.609  -1.212
  183    HE1  HIS  28           HE1      HIS  28  12.491  -0.047  -5.120
  184    H    ASP  29           HN       ASP  29   9.090  -1.127   2.179
  185    HA   ASP  29           HA       ASP  29  11.115  -2.855   3.115
  186   1HB   ASP  29          HB2       ASP  29  12.358  -0.972   4.485
  187   2HB   ASP  29          HB1       ASP  29  12.821  -1.311   2.818
  188    H    LYS  30           HN       LYS  30  10.434   0.100   4.948
  189    HA   LYS  30           HA       LYS  30   8.977  -1.577   6.924
  190   1HB   LYS  30          HB2       LYS  30   9.711   0.018   8.496
  191   2HB   LYS  30          HB1       LYS  30  11.042  -0.052   7.343
  192   1HG   LYS  30          HG2       LYS  30   9.863   1.891   6.130
  193   2HG   LYS  30          HG1       LYS  30   8.901   2.059   7.599
  194   1HD   LYS  30          HD2       LYS  30  11.921   2.229   7.388
  195   2HD   LYS  30          HD1       LYS  30  10.813   3.553   7.754
  196   1HE   LYS  30          HE2       LYS  30  10.049   2.124   9.770
  197   2HE   LYS  30          HE1       LYS  30  11.525   1.179   9.486
  198   1HZ   LYS  30          HZ1       LYS  30  12.866   3.062   9.741
  199   2HZ   LYS  30          HZ2       LYS  30  11.736   3.191  11.003
  200   3HZ   LYS  30          HZ3       LYS  30  11.561   4.136   9.601
  201    H    CYS  31           HN       CYS  31   7.278  -0.089   8.185
  202    HA   CYS  31           HA       CYS  31   5.225   0.619   6.200
  203   1HB   CYS  31          HB2       CYS  31   5.255  -0.592   8.636
  204   2HB   CYS  31          HB1       CYS  31   4.804   1.048   9.100
  205    H    VAL  32           HN       VAL  32   5.561   2.648   5.311
  206    HA   VAL  32           HA       VAL  32   5.576   4.957   7.200
  207    HB   VAL  32           HB       VAL  32   7.417   5.959   5.999
  208   1HG1  VAL  32          HG11      VAL  32   8.295   3.094   6.134
  209   2HG1  VAL  32          HG12      VAL  32   7.753   3.891   7.611
  210   3HG1  VAL  32          HG13      VAL  32   9.123   4.541   6.708
  211   1HG2  VAL  32          HG21      VAL  32   8.280   5.169   3.955
  212   2HG2  VAL  32          HG22      VAL  32   6.546   4.917   3.758
  213   3HG2  VAL  32          HG23      VAL  32   7.592   3.562   4.179
  214    H    ARG  33           HN       ARG  33   5.092   7.045   5.830
  215    HA   ARG  33           HA       ARG  33   3.066   6.313   3.741
  216   1HB   ARG  33          HB2       ARG  33   2.532   7.418   6.073
  217   2HB   ARG  33          HB1       ARG  33   3.092   8.892   5.283
  218   1HG   ARG  33          HG2       ARG  33   1.426   7.762   3.379
  219   2HG   ARG  33          HG1       ARG  33   0.597   7.410   4.896
  220   1HD   ARG  33          HD2       ARG  33   0.034   9.593   5.205
  221   2HD   ARG  33          HD1       ARG  33   1.664  10.150   4.774
  222    HE   ARG  33           HE       ARG  33   0.724  10.630   2.665
  223   1HH1  ARG  33          HH11      ARG  33  -2.065   9.822   3.497
  224   2HH1  ARG  33          HH12      ARG  33  -2.422   8.568   2.357
  225   1HH2  ARG  33          HH21      ARG  33   0.884   8.131   1.403
  226   2HH2  ARG  33          HH22      ARG  33  -0.752   7.611   1.170
  227    H    SER  34           HN       SER  34   2.746   8.063   2.070
  228    HA   SER  34           HA       SER  34   4.916   8.624   0.485
  229   1HB   SER  34          HB2       SER  34   2.571  10.459   1.067
  230   2HB   SER  34          HB1       SER  34   3.552  10.486  -0.396
  231    HG   SER  34           HG       SER  34   2.910   8.224  -0.631
  232    H    GLU  35           HN       GLU  35   3.982  10.415   3.395
  233    HA   GLU  35           HA       GLU  35   5.725  12.673   3.009
  234   1HB   GLU  35          HB2       GLU  35   4.102  11.409   5.145
  235   2HB   GLU  35          HB1       GLU  35   5.416  12.445   5.705
  236   1HG   GLU  35          HG2       GLU  35   4.499  14.113   3.892
  237   2HG   GLU  35          HG1       GLU  35   3.020  13.163   4.042
  238    H    GLU  36           HN       GLU  36   6.281   9.408   4.145
  239    HA   GLU  36           HA       GLU  36   9.082  10.186   4.896
  240   1HB   GLU  36          HB2       GLU  36   7.504   9.357   6.690
  241   2HB   GLU  36          HB1       GLU  36   7.446   7.815   5.835
  242   1HG   GLU  36          HG2       GLU  36   9.129   7.692   7.598
  243   2HG   GLU  36          HG1       GLU  36   9.928   7.657   6.027
  244    H    CYS  37           HN       CYS  37   7.282   8.657   2.528
  245    HA   CYS  37           HA       CYS  37   8.874   6.293   2.032
  246   1HB   CYS  37          HB2       CYS  37   6.832   7.966   0.614
  247   2HB   CYS  37          HB1       CYS  37   7.735   6.776  -0.323
  248    H    LEU  38           HN       LEU  38  11.075   7.338   2.229
  249    HA   LEU  38           HA       LEU  38  12.065   9.381   0.560
  250   1HB   LEU  38          HB2       LEU  38  14.185   8.555   1.209
  251   2HB   LEU  38          HB1       LEU  38  13.116   8.043   2.513
  252    HG   LEU  38           HG       LEU  38  12.892   5.950   0.743
  253   1HD1  LEU  38          HD11      LEU  38  15.482   7.335   0.334
  254   2HD1  LEU  38          HD12      LEU  38  14.602   6.252  -0.744
  255   3HD1  LEU  38          HD13      LEU  38  15.581   5.590   0.564
  256   1HD2  LEU  38          HD21      LEU  38  14.901   5.103   2.379
  257   2HD2  LEU  38          HD22      LEU  38  13.217   5.234   2.889
  258   3HD2  LEU  38          HD23      LEU  38  14.352   6.534   3.254
  259    H    SER  39           HN       SER  39  11.069   6.163  -0.256
  260    HA   SER  39           HA       SER  39  12.626   5.833  -2.674
  261   1HB   SER  39          HB2       SER  39  10.163   4.626  -1.434
  262   2HB   SER  39          HB1       SER  39  10.622   4.182  -3.077
  263    HG   SER  39           HG       SER  39  11.558   3.163  -0.894
  264    H    GLY  40           HN       GLY  40   9.206   6.768  -2.114
  265   1HA   GLY  40          HA2       GLY  40   8.486   8.818  -3.444
  266   2HA   GLY  40          HA1       GLY  40   9.234   8.024  -4.830
  267    H    THR  41           HN       THR  41   8.131   5.409  -3.467
  268    HA   THR  41           HA       THR  41   5.371   5.691  -4.614
  269    HB   THR  41           HB       THR  41   6.935   4.352  -5.969
  270    HG1  THR  41           HG1      THR  41   4.620   3.690  -5.328
  271   1HG2  THR  41          HG21      THR  41   7.218   2.088  -4.213
  272   2HG2  THR  41          HG22      THR  41   7.858   3.528  -3.422
  273   3HG2  THR  41          HG23      THR  41   8.478   3.038  -4.999
  274    H    TRP  42           HN       TRP  42   3.808   5.433  -3.091
  275    HA   TRP  42           HA       TRP  42   4.455   4.062  -0.525
  276   1HB   TRP  42          HB2       TRP  42   3.481   6.362  -0.616
  277   2HB   TRP  42          HB1       TRP  42   2.069   5.703  -1.439
  278    HD1  TRP  42           HD1      TRP  42   4.023   4.922   1.816
  279    HE1  TRP  42           HE1      TRP  42   2.310   4.398   3.666
  280    HE3  TRP  42           HE3      TRP  42  -0.308   5.362  -0.850
  281    HZ2  TRP  42           HZ2      TRP  42  -0.527   4.188   3.975
  282    HZ3  TRP  42           HZ3      TRP  42  -2.501   4.994   0.247
  283    HH2  TRP  42           HH2      TRP  42  -2.615   4.408   2.653
  284    H    THR  43           HN       THR  43   3.630   2.009  -0.124
  285    HA   THR  43           HA       THR  43   1.323   1.090  -1.810
  286    HB   THR  43           HB       THR  43   3.371   0.205  -2.754
  287    HG1  THR  43           HG1      THR  43   1.977  -1.415  -2.807
  288   1HG2  THR  43          HG21      THR  43   4.811   0.593  -0.793
  289   2HG2  THR  43          HG22      THR  43   4.975  -1.062  -1.378
  290   3HG2  THR  43          HG23      THR  43   4.009  -0.727   0.058
  291    H    GLN  44           HN       GLN  44  -0.219  -0.096  -0.662
  292    HA   GLN  44           HA       GLN  44   0.467  -0.855   2.157
  293   1HB   GLN  44          HB2       GLN  44  -1.881  -0.044   2.682
  294   2HB   GLN  44          HB1       GLN  44  -0.754   1.226   2.204
  295   1HG   GLN  44          HG2       GLN  44  -1.803   1.598   0.199
  296   2HG   GLN  44          HG1       GLN  44  -2.277  -0.090   0.014
  297   1HE2  GLN  44          HE21      GLN  44  -3.701  -0.559   2.383
  298   2HE2  GLN  44          HE22      GLN  44  -5.061   0.455   2.444
  299    H    GLN  45           HN       GLN  45   0.407  -2.603  -0.164
  300    HA   GLN  45           HA       GLN  45  -1.756  -4.449   0.733
  301   1HB   GLN  45          HB2       GLN  45  -2.230  -2.878  -1.361
  302   2HB   GLN  45          HB1       GLN  45  -1.253  -4.084  -2.201
  303   1HG   GLN  45          HG2       GLN  45  -3.373  -5.016  -2.417
  304   2HG   GLN  45          HG1       GLN  45  -2.819  -5.790  -0.933
  305   1HE2  GLN  45          HE21      GLN  45  -5.477  -5.753  -0.969
  306   2HE2  GLN  45          HE22      GLN  45  -6.138  -4.486  -0.055
  307    H    ILE  46           HN       ILE  46  -0.372  -6.053   1.477
  308    HA   ILE  46           HA       ILE  46   1.324  -7.410  -0.545
  309    HB   ILE  46           HB       ILE  46   2.319  -6.338   2.118
  310   1HG1  ILE  46          HG12      ILE  46   2.893  -5.544  -0.753
  311   2HG1  ILE  46          HG11      ILE  46   2.098  -4.556   0.472
  312   1HG2  ILE  46          HG21      ILE  46   3.437  -8.409   1.654
  313   2HG2  ILE  46          HG22      ILE  46   4.545  -7.127   1.170
  314   3HG2  ILE  46          HG23      ILE  46   3.622  -8.000  -0.052
  315   1HD1  ILE  46          HD11      ILE  46   4.623  -4.142   0.036
  316   2HD1  ILE  46          HD12      ILE  46   4.873  -5.643   0.928
  317   3HD1  ILE  46          HD13      ILE  46   4.084  -4.274   1.711
  318    H    CYS  47           HN       CYS  47   1.183  -7.542   3.011
  319    HA   CYS  47           HA       CYS  47   0.548 -10.445   2.840
  320   1HB   CYS  47          HB2       CYS  47   1.212 -10.358   5.248
  321   2HB   CYS  47          HB1       CYS  47   2.457  -9.698   4.189
  322    H    LEU  48           HN       LEU  48  -1.531 -11.111   3.175
  323    HA   LEU  48           HA       LEU  48  -3.627  -9.232   3.929
  324   1HB   LEU  48          HB2       LEU  48  -3.338 -12.099   3.135
  325   2HB   LEU  48          HB1       LEU  48  -4.834 -11.624   3.940
  326    HG   LEU  48           HG       LEU  48  -4.970  -9.706   2.256
  327   1HD1  LEU  48          HD11      LEU  48  -3.716 -10.173   0.117
  328   2HD1  LEU  48          HD12      LEU  48  -2.788 -11.388   0.994
  329   3HD1  LEU  48          HD13      LEU  48  -2.686  -9.691   1.465
  330   1HD2  LEU  48          HD21      LEU  48  -5.306 -12.623   1.685
  331   2HD2  LEU  48          HD22      LEU  48  -5.503 -11.498   0.341
  332   3HD2  LEU  48          HD23      LEU  48  -6.524 -11.350   1.771
  Start of MODEL    3
    1   1H    GLY   1           HT1      GLY   1  -9.295   3.209  14.678
    2   2H    GLY   1           HT2      GLY   1 -10.790   2.661  15.269
    3   3H    GLY   1           HT3      GLY   1  -9.402   1.698  15.443
    4   1HA   GLY   1          HA2       GLY   1  -9.320   4.376  16.602
    5   2HA   GLY   1          HA1       GLY   1 -10.323   3.170  17.410
    6    H    SER   2           HN       SER   2  -9.095   0.905  17.489
    7    HA   SER   2           HA       SER   2  -6.807   1.254  19.189
    8   1HB   SER   2          HB2       SER   2  -8.608  -0.655  18.860
    9   2HB   SER   2          HB1       SER   2  -7.423  -1.295  17.725
   10    HG   SER   2           HG       SER   2  -7.006  -0.638  20.460
   11    H    ALA   3           HN       ALA   3  -5.321   2.530  17.838
   12    HA   ALA   3           HA       ALA   3  -3.333   0.967  16.483
   13   1HB   ALA   3          HB1       ALA   3  -5.395   2.428  14.806
   14   2HB   ALA   3          HB2       ALA   3  -5.039   0.700  14.788
   15   3HB   ALA   3          HB3       ALA   3  -3.858   1.850  14.164
   16    H    MET   4           HN       MET   4  -4.931   4.150  16.614
   17    HA   MET   4           HA       MET   4  -3.996   6.330  16.622
   18   1HB   MET   4          HB2       MET   4  -2.126   4.656  18.327
   19   2HB   MET   4          HB1       MET   4  -2.117   6.420  18.310
   20   1HG   MET   4          HG2       MET   4  -4.059   6.573  19.497
   21   2HG   MET   4          HG1       MET   4  -4.775   5.177  18.693
   22   1HE   MET   4          HE1       MET   4  -4.719   2.520  20.991
   23   2HE   MET   4          HE2       MET   4  -3.820   2.435  19.479
   24   3HE   MET   4          HE3       MET   4  -5.304   3.381  19.560
   25    H    GLY   5           HN       GLY   5  -3.086   4.526  14.401
   26   1HA   GLY   5          HA2       GLY   5  -1.652   5.449  12.607
   27   2HA   GLY   5          HA1       GLY   5  -0.493   5.908  13.854
   28    H    CYS   6           HN       CYS   6  -0.711   3.861  11.427
   29    HA   CYS   6           HA       CYS   6   0.077   1.353  12.753
   30   1HB   CYS   6          HB2       CYS   6   0.380   0.645  10.332
   31   2HB   CYS   6          HB1       CYS   6  -1.235   1.221  10.734
   32    H    ARG   7           HN       ARG   7   1.652   4.209  12.198
   33    HA   ARG   7           HA       ARG   7   4.153   3.476  11.053
   34   1HB   ARG   7          HB2       ARG   7   3.047   5.756  11.747
   35   2HB   ARG   7          HB1       ARG   7   3.861   5.470  13.286
   36   1HG   ARG   7          HG2       ARG   7   5.328   6.791  11.866
   37   2HG   ARG   7          HG1       ARG   7   6.010   5.173  12.033
   38   1HD   ARG   7          HD2       ARG   7   5.894   4.846   9.795
   39   2HD   ARG   7          HD1       ARG   7   4.171   5.268   9.787
   40    HE   ARG   7           HE       ARG   7   6.408   7.227   9.537
   41   1HH1  ARG   7          HH11      ARG   7   3.260   7.254  10.596
   42   2HH1  ARG   7          HH12      ARG   7   2.664   8.359   9.403
   43   1HH2  ARG   7          HH21      ARG   7   5.567   8.295   7.508
   44   2HH2  ARG   7          HH22      ARG   7   3.970   8.949   7.656
   45    H    HIS   8           HN       HIS   8   2.804   2.837  14.222
   46    HA   HIS   8           HA       HIS   8   5.486   1.973  15.210
   47   1HB   HIS   8          HB2       HIS   8   4.316   1.983  17.426
   48   2HB   HIS   8          HB1       HIS   8   4.285   3.547  16.619
   49    HD1  HIS   8           HD1      HIS   8   2.114   4.198  17.922
   50    HD2  HIS   8           HD2      HIS   8   1.661   0.880  15.441
   51    HE1  HIS   8           HE1      HIS   8  -0.374   3.767  17.744
   52    H    PHE   9           HN       PHE   9   2.903   0.656  13.621
   53    HA   PHE   9           HA       PHE   9   2.214  -1.713  15.008
   54   1HB   PHE   9          HB2       PHE   9   2.449  -0.838  12.141
   55   2HB   PHE   9          HB1       PHE   9   2.047  -2.515  12.489
   56    HD1  PHE   9           HD1      PHE   9   0.780  -0.754  15.223
   57    HD2  PHE   9           HD2      PHE   9   0.035  -1.375  11.037
   58    HE1  PHE   9           HE1      PHE   9  -1.590  -0.129  15.551
   59    HE2  PHE   9           HE2      PHE   9  -2.337  -0.743  11.368
   60    HZ   PHE   9           HZ       PHE   9  -3.151  -0.120  13.626
   61    H    GLN  10           HN       GLN  10   3.002  -3.956  14.413
   62    HA   GLN  10           HA       GLN  10   5.886  -4.133  14.758
   63   1HB   GLN  10          HB2       GLN  10   3.557  -6.014  14.435
   64   2HB   GLN  10          HB1       GLN  10   5.203  -6.645  14.390
   65   1HG   GLN  10          HG2       GLN  10   4.384  -6.755  16.680
   66   2HG   GLN  10          HG1       GLN  10   5.642  -5.522  16.583
   67   1HE2  GLN  10          HE21      GLN  10   4.953  -3.943  18.068
   68   2HE2  GLN  10          HE22      GLN  10   3.416  -3.223  18.055
   69    H    SER  11           HN       SER  11   4.237  -6.200  12.439
   70    HA   SER  11           HA       SER  11   6.285  -5.478  10.400
   71   1HB   SER  11          HB2       SER  11   4.233  -7.704  10.378
   72   2HB   SER  11          HB1       SER  11   5.737  -7.622   9.466
   73    HG   SER  11           HG       SER  11   6.429  -8.735  11.133
   74    H    CYS  12           HN       CYS  12   4.440  -6.600   8.305
   75    HA   CYS  12           HA       CYS  12   2.980  -4.078   7.738
   76   1HB   CYS  12          HB2       CYS  12   2.891  -5.021   5.466
   77   2HB   CYS  12          HB1       CYS  12   4.536  -5.122   6.095
   78    H    SER  13           HN       SER  13   2.331  -7.057   9.161
   79    HA   SER  13           HA       SER  13  -0.169  -7.843   8.060
   80   1HB   SER  13          HB2       SER  13   1.343  -8.138  10.607
   81   2HB   SER  13          HB1       SER  13  -0.375  -8.520  10.670
   82    HG   SER  13           HG       SER  13   1.707  -9.762   9.300
   83    H    GLN  14           HN       GLN  14   0.352  -5.932  11.056
   84    HA   GLN  14           HA       GLN  14  -2.401  -5.107  11.270
   85   1HB   GLN  14          HB2       GLN  14  -0.464  -5.236  12.998
   86   2HB   GLN  14          HB1       GLN  14  -0.008  -3.645  12.387
   87   1HG   GLN  14          HG2       GLN  14  -1.596  -2.696  13.663
   88   2HG   GLN  14          HG1       GLN  14  -2.831  -3.640  12.830
   89   1HE2  GLN  14          HE21      GLN  14  -4.032  -4.041  14.822
   90   2HE2  GLN  14          HE22      GLN  14  -3.441  -5.092  16.016
   91    H    CYS  15           HN       CYS  15   0.455  -3.684   9.734
   92    HA   CYS  15           HA       CYS  15  -0.440  -1.043   9.295
   93   1HB   CYS  15          HB2       CYS  15   1.317  -2.999   7.827
   94   2HB   CYS  15          HB1       CYS  15   1.032  -1.393   7.155
   95    H    LEU  16           HN       LEU  16  -1.142  -4.010   7.459
   96    HA   LEU  16           HA       LEU  16  -2.953  -2.464   5.660
   97   1HB   LEU  16          HB2       LEU  16  -1.531  -5.120   5.591
   98   2HB   LEU  16          HB1       LEU  16  -2.870  -4.798   4.488
   99    HG   LEU  16           HG       LEU  16  -1.733  -2.847   3.593
  100   1HD1  LEU  16          HD11      LEU  16   0.167  -3.400   5.861
  101   2HD1  LEU  16          HD12      LEU  16  -0.594  -1.877   5.399
  102   3HD1  LEU  16          HD13      LEU  16   0.722  -2.537   4.427
  103   1HD2  LEU  16          HD21      LEU  16   0.289  -5.095   3.811
  104   2HD2  LEU  16          HD22      LEU  16   0.123  -3.934   2.494
  105   3HD2  LEU  16          HD23      LEU  16  -1.121  -5.157   2.753
  106    H    SER  17           HN       SER  17  -3.051  -4.440   8.437
  107    HA   SER  17           HA       SER  17  -5.663  -5.677   7.859
  108   1HB   SER  17          HB2       SER  17  -3.785  -6.690   9.224
  109   2HB   SER  17          HB1       SER  17  -4.104  -5.472  10.455
  110    HG   SER  17           HG       SER  17  -5.795  -7.536   9.505
  111    H    ALA  18           HN       ALA  18  -4.510  -2.683   9.107
  112    HA   ALA  18           HA       ALA  18  -7.288  -1.968   9.924
  113   1HB   ALA  18          HB1       ALA  18  -5.728  -0.740  11.830
  114   2HB   ALA  18          HB2       ALA  18  -4.875  -2.264  11.592
  115   3HB   ALA  18          HB3       ALA  18  -6.573  -2.269  12.066
  116    HA   PRO  19           HA       PRO  19  -4.931   1.238   7.488
  117   1HB   PRO  19          HB2       PRO  19  -6.564   1.266   5.291
  118   2HB   PRO  19          HB1       PRO  19  -5.141   0.219   5.450
  119   1HG   PRO  19          HG2       PRO  19  -8.013  -0.437   5.748
  120   2HG   PRO  19          HG1       PRO  19  -6.683  -1.425   5.135
  121   1HD   PRO  19          HD2       PRO  19  -7.779  -1.665   7.659
  122   2HD   PRO  19          HD1       PRO  19  -6.159  -2.227   7.195
  123    HA   PRO  20           HA       PRO  20  -9.129   3.560   7.655
  124   1HB   PRO  20          HB2       PRO  20 -11.063   2.509   9.271
  125   2HB   PRO  20          HB1       PRO  20 -10.951   2.138   7.540
  126   1HG   PRO  20          HG2       PRO  20 -10.126   0.516   9.883
  127   2HG   PRO  20          HG1       PRO  20 -10.815   0.001   8.336
  128   1HD   PRO  20          HD2       PRO  20  -8.159  -0.175   8.994
  129   2HD   PRO  20          HD1       PRO  20  -8.781  -0.122   7.336
  130    H    PHE  21           HN       PHE  21  -7.589   1.902  10.268
  131    HA   PHE  21           HA       PHE  21  -8.275   4.091  12.189
  132   1HB   PHE  21          HB2       PHE  21  -6.849   1.485  12.755
  133   2HB   PHE  21          HB1       PHE  21  -7.767   2.487  13.877
  134    HD1  PHE  21           HD1      PHE  21  -7.936  -0.563  12.494
  135    HD2  PHE  21           HD2      PHE  21 -10.251   3.055  12.537
  136    HE1  PHE  21           HE1      PHE  21  -9.982  -1.867  11.985
  137    HE2  PHE  21           HE2      PHE  21 -12.297   1.750  12.028
  138    HZ   PHE  21           HZ       PHE  21 -12.164  -0.710  11.751
  139    H    VAL  22           HN       VAL  22  -5.905   3.369   9.970
  140    HA   VAL  22           HA       VAL  22  -3.799   4.700  11.644
  141    HB   VAL  22           HB       VAL  22  -2.192   3.219  10.562
  142   1HG1  VAL  22          HG11      VAL  22  -3.640   0.962  11.173
  143   2HG1  VAL  22          HG12      VAL  22  -4.503   2.208  12.074
  144   3HG1  VAL  22          HG13      VAL  22  -2.781   1.956  12.350
  145   1HG2  VAL  22          HG21      VAL  22  -3.129   1.368   9.081
  146   2HG2  VAL  22          HG22      VAL  22  -3.124   2.981   8.368
  147   3HG2  VAL  22          HG23      VAL  22  -4.622   2.305   9.008
  148    H    GLN  23           HN       GLN  23  -1.883   5.096   9.730
  149    HA   GLN  23           HA       GLN  23  -3.188   6.478   7.430
  150   1HB   GLN  23          HB2       GLN  23  -3.047   8.166   9.136
  151   2HB   GLN  23          HB1       GLN  23  -1.406   7.682   9.564
  152   1HG   GLN  23          HG2       GLN  23  -0.472   8.808   7.810
  153   2HG   GLN  23          HG1       GLN  23  -1.812   8.431   6.726
  154   1HE2  GLN  23          HE21      GLN  23  -3.668   9.882   6.724
  155   2HE2  GLN  23          HE22      GLN  23  -3.614  11.397   7.486
  156    H    CYS  24           HN       CYS  24  -0.187   5.356   8.995
  157    HA   CYS  24           HA       CYS  24   1.531   5.832   6.736
  158   1HB   CYS  24          HB2       CYS  24   3.137   4.789   8.078
  159   2HB   CYS  24          HB1       CYS  24   1.970   5.316   9.283
  160    H    GLY  25           HN       GLY  25   2.683   3.829   5.688
  161   1HA   GLY  25          HA2       GLY  25   0.847   1.577   5.144
  162   2HA   GLY  25          HA1       GLY  25   1.252   2.608   3.772
  163    H    TRP  26           HN       TRP  26   2.093   0.213   3.252
  164    HA   TRP  26           HA       TRP  26   4.758  -0.336   4.414
  165   1HB   TRP  26          HB2       TRP  26   2.800  -1.938   3.656
  166   2HB   TRP  26          HB1       TRP  26   3.504  -1.723   2.057
  167    HD1  TRP  26           HD1      TRP  26   5.335  -3.376   1.465
  168    HE1  TRP  26           HE1      TRP  26   6.950  -4.894   2.785
  169    HE3  TRP  26           HE3      TRP  26   4.165  -1.971   6.222
  170    HZ2  TRP  26           HZ2      TRP  26   7.646  -5.440   5.506
  171    HZ3  TRP  26           HZ3      TRP  26   5.313  -3.003   8.163
  172    HH2  TRP  26           HH2      TRP  26   7.053  -4.734   7.810
  173    H    CYS  27           HN       CYS  27   6.690   0.173   3.352
  174    HA   CYS  27           HA       CYS  27   6.496   1.159   0.531
  175   1HB   CYS  27          HB2       CYS  27   6.684   2.730   2.800
  176   2HB   CYS  27          HB1       CYS  27   8.361   2.611   2.267
  177    H    HIS  28           HN       HIS  28   7.622  -0.602  -0.324
  178    HA   HIS  28           HA       HIS  28   9.486  -1.893  -0.935
  179   1HB   HIS  28          HB2       HIS  28  10.434   0.778  -0.041
  180   2HB   HIS  28          HB1       HIS  28  11.664  -0.456  -0.317
  181    HD1  HIS  28           HD1      HIS  28  12.388   1.010  -2.441
  182    HD2  HIS  28           HD2      HIS  28   8.606  -0.728  -2.680
  183    HE1  HIS  28           HE1      HIS  28  11.698   1.128  -4.874
  184    H    ASP  29           HN       ASP  29   8.874  -1.455   2.394
  185    HA   ASP  29           HA       ASP  29  10.178  -3.816   3.196
  186   1HB   ASP  29          HB2       ASP  29  12.168  -2.548   4.397
  187   2HB   ASP  29          HB1       ASP  29  12.309  -3.010   2.702
  188    H    LYS  30           HN       LYS  30  10.391  -0.561   4.699
  189    HA   LYS  30           HA       LYS  30   9.195  -1.655   7.169
  190   1HB   LYS  30          HB2       LYS  30  11.201   0.064   6.681
  191   2HB   LYS  30          HB1       LYS  30   9.880   1.227   6.797
  192   1HG   LYS  30          HG2       LYS  30   9.281   0.398   9.006
  193   2HG   LYS  30          HG1       LYS  30  10.486  -0.885   8.886
  194   1HD   LYS  30          HD2       LYS  30  11.892   0.562   9.914
  195   2HD   LYS  30          HD1       LYS  30  11.967   1.393   8.362
  196   1HE   LYS  30          HE2       LYS  30   9.785   2.599   9.190
  197   2HE   LYS  30          HE1       LYS  30  10.343   2.094  10.797
  198   1HZ   LYS  30          HZ1       LYS  30  12.291   3.272  10.600
  199   2HZ   LYS  30          HZ2       LYS  30  11.223   4.301   9.772
  200   3HZ   LYS  30          HZ3       LYS  30  12.260   3.274   8.904
  201    H    CYS  31           HN       CYS  31   7.469  -0.315   8.266
  202    HA   CYS  31           HA       CYS  31   5.317   0.291   6.327
  203   1HB   CYS  31          HB2       CYS  31   5.155  -1.165   8.435
  204   2HB   CYS  31          HB1       CYS  31   5.239   0.339   9.351
  205    H    VAL  32           HN       VAL  32   5.567   2.364   5.523
  206    HA   VAL  32           HA       VAL  32   5.432   4.597   7.479
  207    HB   VAL  32           HB       VAL  32   7.350   5.676   6.520
  208   1HG1  VAL  32          HG11      VAL  32   9.090   4.180   7.122
  209   2HG1  VAL  32          HG12      VAL  32   8.164   2.769   6.605
  210   3HG1  VAL  32          HG13      VAL  32   7.701   3.642   8.066
  211   1HG2  VAL  32          HG21      VAL  32   7.652   5.432   4.294
  212   2HG2  VAL  32          HG22      VAL  32   6.684   3.959   4.268
  213   3HG2  VAL  32          HG23      VAL  32   8.404   3.876   4.644
  214    H    ARG  33           HN       ARG  33   5.076   6.718   6.151
  215    HA   ARG  33           HA       ARG  33   3.236   6.078   3.874
  216   1HB   ARG  33          HB2       ARG  33   2.684   7.286   6.222
  217   2HB   ARG  33          HB1       ARG  33   3.180   8.700   5.292
  218   1HG   ARG  33          HG2       ARG  33   1.567   7.360   3.503
  219   2HG   ARG  33          HG1       ARG  33   0.759   7.055   5.041
  220   1HD   ARG  33          HD2       ARG  33   0.749   9.481   5.526
  221   2HD   ARG  33          HD1       ARG  33   1.550   9.790   3.973
  222    HE   ARG  33           HE       ARG  33  -1.238   9.336   4.255
  223   1HH1  ARG  33          HH21      ARG  33   1.437   8.939   2.180
  224   2HH1  ARG  33          HH22      ARG  33   0.535   8.174   0.915
  225   1HH2  ARG  33          HH11      ARG  33  -2.407   8.028   2.742
  226   2HH2  ARG  33          HH12      ARG  33  -1.641   7.659   1.234
  227    H    SER  34           HN       SER  34   3.077   8.064   2.322
  228    HA   SER  34           HA       SER  34   5.366   8.438   0.828
  229   1HB   SER  34          HB2       SER  34   2.869   9.957   1.349
  230   2HB   SER  34          HB1       SER  34   4.145  10.842   0.520
  231    HG   SER  34           HG       SER  34   2.736   9.668  -0.899
  232    H    GLU  35           HN       GLU  35   4.608   9.976   3.891
  233    HA   GLU  35           HA       GLU  35   6.512  12.141   3.712
  234   1HB   GLU  35          HB2       GLU  35   4.474  11.787   5.248
  235   2HB   GLU  35          HB1       GLU  35   5.532  10.758   6.214
  236   1HG   GLU  35          HG2       GLU  35   6.263  12.624   7.244
  237   2HG   GLU  35          HG1       GLU  35   7.036  13.073   5.724
  238    H    GLU  36           HN       GLU  36   6.717   8.788   4.881
  239    HA   GLU  36           HA       GLU  36   9.597   9.248   5.561
  240   1HB   GLU  36          HB2       GLU  36   7.364   7.651   6.617
  241   2HB   GLU  36          HB1       GLU  36   8.875   6.750   6.486
  242   1HG   GLU  36          HG2       GLU  36   9.152   9.479   7.583
  243   2HG   GLU  36          HG1       GLU  36   8.243   8.359   8.599
  244    H    CYS  37           HN       CYS  37   7.704   8.077   3.057
  245    HA   CYS  37           HA       CYS  37   9.133   5.661   2.346
  246   1HB   CYS  37          HB2       CYS  37   7.262   7.617   1.036
  247   2HB   CYS  37          HB1       CYS  37   8.042   6.376   0.053
  248    H    LEU  38           HN       LEU  38  11.078   5.478   1.257
  249    HA   LEU  38           HA       LEU  38  12.923   7.577   0.987
  250   1HB   LEU  38          HB2       LEU  38  13.447   5.177   0.909
  251   2HB   LEU  38          HB1       LEU  38  12.611   5.033  -0.639
  252    HG   LEU  38           HG       LEU  38  14.540   7.182  -0.753
  253   1HD1  LEU  38          HD11      LEU  38  15.664   5.830   1.020
  254   2HD1  LEU  38          HD12      LEU  38  16.586   5.882  -0.481
  255   3HD1  LEU  38          HD13      LEU  38  15.652   4.444  -0.070
  256   1HD2  LEU  38          HD21      LEU  38  13.632   4.852  -2.271
  257   2HD2  LEU  38          HD22      LEU  38  15.372   5.103  -2.410
  258   3HD2  LEU  38          HD23      LEU  38  14.256   6.393  -2.856
  259    H    SER  39           HN       SER  39  10.411   6.532  -1.280
  260    HA   SER  39           HA       SER  39  11.141   8.867  -3.018
  261   1HB   SER  39          HB2       SER  39   9.873   6.879  -4.577
  262   2HB   SER  39          HB1       SER  39  11.571   7.339  -4.624
  263    HG   SER  39           HG       SER  39  11.127   5.077  -4.144
  264    H    GLY  40           HN       GLY  40   8.977   8.738  -4.747
  265   1HA   GLY  40          HA2       GLY  40   6.778   9.571  -2.960
  266   2HA   GLY  40          HA1       GLY  40   6.844   9.821  -4.706
  267    H    THR  41           HN       THR  41   7.595   6.670  -3.452
  268    HA   THR  41           HA       THR  41   5.067   5.644  -4.669
  269    HB   THR  41           HB       THR  41   7.416   4.942  -5.417
  270    HG1  THR  41           HG1      THR  41   5.575   3.020  -4.444
  271   1HG2  THR  41          HG21      THR  41   7.414   3.132  -3.031
  272   2HG2  THR  41          HG22      THR  41   8.053   4.766  -2.860
  273   3HG2  THR  41          HG23      THR  41   8.766   3.659  -4.033
  274    H    TRP  42           HN       TRP  42   3.560   4.661  -3.368
  275    HA   TRP  42           HA       TRP  42   4.360   3.827  -0.608
  276   1HB   TRP  42          HB2       TRP  42   3.398   6.132  -0.646
  277   2HB   TRP  42          HB1       TRP  42   1.943   5.486  -1.404
  278    HD1  TRP  42           HD1      TRP  42   4.036   4.754   1.781
  279    HE1  TRP  42           HE1      TRP  42   2.399   4.204   3.693
  280    HE3  TRP  42           HE3      TRP  42  -0.394   5.061  -0.740
  281    HZ2  TRP  42           HZ2      TRP  42  -0.422   3.927   4.097
  282    HZ3  TRP  42           HZ3      TRP  42  -2.539   4.649   0.431
  283    HH2  TRP  42           HH2      TRP  42  -2.558   4.083   2.845
  284    H    THR  43           HN       THR  43   3.663   1.723  -0.293
  285    HA   THR  43           HA       THR  43   1.316   0.803  -1.927
  286    HB   THR  43           HB       THR  43   3.498  -0.126  -2.613
  287    HG1  THR  43           HG1      THR  43   1.475  -1.654  -1.513
  288   1HG2  THR  43          HG21      THR  43   3.621  -0.954   0.292
  289   2HG2  THR  43          HG22      THR  43   4.773   0.045  -0.595
  290   3HG2  THR  43          HG23      THR  43   4.638  -1.677  -0.954
  291    H    GLN  44           HN       GLN  44  -0.208  -0.531  -0.871
  292    HA   GLN  44           HA       GLN  44   0.160  -0.905   2.081
  293   1HB   GLN  44          HB2       GLN  44  -1.719   0.719   0.577
  294   2HB   GLN  44          HB1       GLN  44  -2.574  -0.478   1.551
  295   1HG   GLN  44          HG2       GLN  44  -0.709   0.362   3.340
  296   2HG   GLN  44          HG1       GLN  44  -0.941   1.841   2.408
  297   1HE2  GLN  44          HE21      GLN  44  -1.824   1.543   5.157
  298   2HE2  GLN  44          HE22      GLN  44  -3.519   1.640   5.162
  299    H    GLN  45           HN       GLN  45   0.468  -2.788  -0.219
  300    HA   GLN  45           HA       GLN  45  -1.451  -4.853   0.740
  301   1HB   GLN  45          HB2       GLN  45  -2.193  -3.477  -1.362
  302   2HB   GLN  45          HB1       GLN  45  -0.975  -4.435  -2.206
  303   1HG   GLN  45          HG2       GLN  45  -2.254  -6.302  -2.156
  304   2HG   GLN  45          HG1       GLN  45  -2.693  -6.051  -0.465
  305   1HE2  GLN  45          HE21      GLN  45  -4.521  -6.790  -2.712
  306   2HE2  GLN  45          HE22      GLN  45  -5.684  -5.556  -2.787
  307    H    ILE  46           HN       ILE  46   0.138  -6.238   1.540
  308    HA   ILE  46           HA       ILE  46   1.996  -7.423  -0.449
  309    HB   ILE  46           HB       ILE  46   3.006  -5.387   0.759
  310   1HG1  ILE  46          HG12      ILE  46   4.772  -7.587   1.536
  311   2HG1  ILE  46          HG11      ILE  46   4.102  -7.802  -0.080
  312   1HG2  ILE  46          HG21      ILE  46   2.038  -5.922   2.984
  313   2HG2  ILE  46          HG22      ILE  46   3.797  -5.787   3.050
  314   3HG2  ILE  46          HG23      ILE  46   3.033  -7.377   3.050
  315   1HD1  ILE  46          HD11      ILE  46   4.785  -5.404  -0.564
  316   2HD1  ILE  46          HD12      ILE  46   6.123  -6.530  -0.340
  317   3HD1  ILE  46          HD13      ILE  46   5.669  -5.431   0.961
  318    H    CYS  47           HN       CYS  47   0.859  -7.407   2.936
  319    HA   CYS  47           HA       CYS  47   1.038 -10.404   2.904
  320   1HB   CYS  47          HB2       CYS  47   1.453 -10.062   5.414
  321   2HB   CYS  47          HB1       CYS  47   2.759  -9.560   4.341
  322    H    LEU  48           HN       LEU  48  -0.849 -11.442   3.486
  323    HA   LEU  48           HA       LEU  48  -3.241  -9.797   4.016
  324   1HB   LEU  48          HB2       LEU  48  -2.694 -12.743   3.554
  325   2HB   LEU  48          HB1       LEU  48  -4.313 -12.091   3.808
  326    HG   LEU  48           HG       LEU  48  -3.999 -12.200   1.434
  327   1HD1  LEU  48          HD11      LEU  48  -3.267  -9.336   1.987
  328   2HD1  LEU  48          HD12      LEU  48  -4.806  -9.975   2.565
  329   3HD1  LEU  48          HD13      LEU  48  -4.441  -9.980   0.839
  330   1HD2  LEU  48          HD21      LEU  48  -2.040 -11.609   0.306
  331   2HD2  LEU  48          HD22      LEU  48  -1.397 -12.249   1.818
  332   3HD2  LEU  48          HD23      LEU  48  -1.521 -10.505   1.581
  Start of MODEL    4
    1   1H    GLY   1           HT1      GLY   1  -5.556  14.678   8.568
    2   2H    GLY   1           HT2      GLY   1  -4.873  13.124   8.523
    3   3H    GLY   1           HT3      GLY   1  -4.419  14.286   7.370
    4   1HA   GLY   1          HA2       GLY   1  -3.063  15.410   8.787
    5   2HA   GLY   1          HA1       GLY   1  -4.008  14.925  10.197
    6    H    SER   2           HN       SER   2  -1.084  14.668   9.717
    7    HA   SER   2           HA       SER   2  -0.749  11.705   9.610
    8   1HB   SER   2          HB2       SER   2   1.434  13.774   9.793
    9   2HB   SER   2          HB1       SER   2   1.480  12.191   9.023
   10    HG   SER   2           HG       SER   2   0.771  13.088   7.270
   11    H    ALA   3           HN       ALA   3  -0.592  10.631  11.540
   12    HA   ALA   3           HA       ALA   3   0.493  12.123  13.903
   13   1HB   ALA   3          HB1       ALA   3  -1.926  12.003  14.055
   14   2HB   ALA   3          HB2       ALA   3  -1.251  10.861  15.216
   15   3HB   ALA   3          HB3       ALA   3  -1.903  10.279  13.684
   16    H    MET   4           HN       MET   4  -0.682   8.882  14.291
   17    HA   MET   4           HA       MET   4   1.704   7.443  13.553
   18   1HB   MET   4          HB2       MET   4   2.487   7.144  15.961
   19   2HB   MET   4          HB1       MET   4   2.747   8.750  15.278
   20   1HG   MET   4          HG2       MET   4   0.523   9.423  16.302
   21   2HG   MET   4          HG1       MET   4   0.545   7.885  17.166
   22   1HE   MET   4          HE1       MET   4   1.338  10.322  19.965
   23   2HE   MET   4          HE2       MET   4   0.100   9.504  19.016
   24   3HE   MET   4          HE3       MET   4   0.675  11.092  18.516
   25    H    GLY   5           HN       GLY   5  -0.268   6.174  12.872
   26   1HA   GLY   5          HA2       GLY   5  -1.508   4.681  15.142
   27   2HA   GLY   5          HA1       GLY   5  -2.201   4.801  13.523
   28    H    CYS   6           HN       CYS   6  -0.740   3.859  11.750
   29    HA   CYS   6           HA       CYS   6   0.154   1.180  12.629
   30   1HB   CYS   6          HB2       CYS   6   0.172   0.782  10.157
   31   2HB   CYS   6          HB1       CYS   6  -1.378   1.388  10.737
   32    H    ARG   7           HN       ARG   7   1.524   4.217  12.050
   33    HA   ARG   7           HA       ARG   7   3.962   3.645  10.720
   34   1HB   ARG   7          HB2       ARG   7   2.900   5.863  11.396
   35   2HB   ARG   7          HB1       ARG   7   3.548   5.580  13.009
   36   1HG   ARG   7          HG2       ARG   7   5.362   6.697  12.185
   37   2HG   ARG   7          HG1       ARG   7   5.767   5.115  11.519
   38   1HD   ARG   7          HD2       ARG   7   5.906   6.552   9.637
   39   2HD   ARG   7          HD1       ARG   7   4.279   5.862   9.492
   40    HE   ARG   7           HE       ARG   7   4.898   8.590  10.523
   41   1HH1  ARG   7          HH11      ARG   7   3.182   7.881   8.074
   42   2HH1  ARG   7          HH12      ARG   7   1.593   8.151   8.706
   43   1HH2  ARG   7          HH21      ARG   7   2.625   8.181  12.017
   44   2HH2  ARG   7          HH22      ARG   7   1.277   8.321  10.938
   45    H    HIS   8           HN       HIS   8   2.917   2.812  13.945
   46    HA   HIS   8           HA       HIS   8   5.725   2.062  14.667
   47   1HB   HIS   8          HB2       HIS   8   5.064   2.379  16.917
   48   2HB   HIS   8          HB1       HIS   8   4.233   3.668  16.050
   49    HD1  HIS   8           HD1      HIS   8   3.238   2.281  18.766
   50    HD2  HIS   8           HD2      HIS   8   1.792   1.499  14.936
   51    HE1  HIS   8           HE1      HIS   8   0.918   1.316  19.061
   52    H    PHE   9           HN       PHE   9   2.882   0.716  13.491
   53    HA   PHE   9           HA       PHE   9   2.354  -1.633  14.872
   54   1HB   PHE   9          HB2       PHE   9   2.544  -0.900  11.956
   55   2HB   PHE   9          HB1       PHE   9   2.114  -2.544  12.418
   56    HD1  PHE   9           HD1      PHE   9   0.005  -1.663  11.025
   57    HD2  PHE   9           HD2      PHE   9   1.041  -0.373  14.994
   58    HE1  PHE   9           HE1      PHE   9  -2.337  -0.941  11.407
   59    HE2  PHE   9           HE2      PHE   9  -1.301   0.343  15.370
   60    HZ   PHE   9           HZ       PHE   9  -2.988   0.060  13.578
   61    H    GLN  10           HN       GLN  10   3.191  -3.857  14.514
   62    HA   GLN  10           HA       GLN  10   6.109  -3.935  14.636
   63   1HB   GLN  10          HB2       GLN  10   3.869  -5.479  15.449
   64   2HB   GLN  10          HB1       GLN  10   4.843  -6.513  14.403
   65   1HG   GLN  10          HG2       GLN  10   6.866  -5.729  15.768
   66   2HG   GLN  10          HG1       GLN  10   5.701  -5.080  16.923
   67   1HE2  GLN  10          HE21      GLN  10   7.546  -7.792  16.356
   68   2HE2  GLN  10          HE22      GLN  10   6.589  -8.950  17.147
   69    H    SER  11           HN       SER  11   3.917  -5.951  12.644
   70    HA   SER  11           HA       SER  11   5.903  -5.685  10.408
   71   1HB   SER  11          HB2       SER  11   4.702  -7.922  11.789
   72   2HB   SER  11          HB1       SER  11   4.281  -7.981  10.080
   73    HG   SER  11           HG       SER  11   6.415  -8.894  10.933
   74    H    CYS  12           HN       CYS  12   4.464  -6.677   8.328
   75    HA   CYS  12           HA       CYS  12   2.677  -4.519   7.650
   76   1HB   CYS  12          HB2       CYS  12   2.335  -5.955   5.613
   77   2HB   CYS  12          HB1       CYS  12   4.033  -5.693   6.007
   78    H    SER  13           HN       SER  13   2.169  -7.269   9.559
   79    HA   SER  13           HA       SER  13  -0.374  -8.240   8.817
   80   1HB   SER  13          HB2       SER  13   1.172  -9.092  10.601
   81   2HB   SER  13          HB1       SER  13   0.700  -7.728  11.610
   82    HG   SER  13           HG       SER  13  -1.152  -8.666  11.998
   83    H    GLN  14           HN       GLN  14   0.223  -5.734  11.332
   84    HA   GLN  14           HA       GLN  14  -2.584  -4.900  11.229
   85   1HB   GLN  14          HB2       GLN  14  -0.935  -4.986  13.226
   86   2HB   GLN  14          HB1       GLN  14  -0.294  -3.473  12.581
   87   1HG   GLN  14          HG2       GLN  14  -1.932  -2.667  14.022
   88   2HG   GLN  14          HG1       GLN  14  -2.843  -2.781  12.516
   89   1HE2  GLN  14          HE21      GLN  14  -2.855  -3.752  15.780
   90   2HE2  GLN  14          HE22      GLN  14  -4.011  -4.990  15.659
   91    H    CYS  15           HN       CYS  15   0.410  -3.961   9.725
   92    HA   CYS  15           HA       CYS  15  -0.032  -1.240   9.121
   93   1HB   CYS  15          HB2       CYS  15   2.029  -2.516   8.670
   94   2HB   CYS  15          HB1       CYS  15   1.181  -3.459   7.443
   95    H    LEU  16           HN       LEU  16  -1.308  -4.161   7.552
   96    HA   LEU  16           HA       LEU  16  -2.955  -2.414   5.760
   97   1HB   LEU  16          HB2       LEU  16  -1.742  -5.158   5.582
   98   2HB   LEU  16          HB1       LEU  16  -3.152  -4.773   4.594
   99    HG   LEU  16           HG       LEU  16  -1.901  -2.703   3.814
  100   1HD1  LEU  16          HD11      LEU  16   0.213  -4.066   5.459
  101   2HD1  LEU  16          HD12      LEU  16  -0.196  -2.353   5.369
  102   3HD1  LEU  16          HD13      LEU  16   0.680  -3.121   4.045
  103   1HD2  LEU  16          HD21      LEU  16  -0.412  -4.014   2.268
  104   2HD2  LEU  16          HD22      LEU  16  -2.057  -4.645   2.359
  105   3HD2  LEU  16          HD23      LEU  16  -0.753  -5.450   3.232
  106    H    SER  17           HN       SER  17  -3.126  -4.502   8.490
  107    HA   SER  17           HA       SER  17  -5.907  -5.366   7.990
  108   1HB   SER  17          HB2       SER  17  -4.066  -6.679   9.176
  109   2HB   SER  17          HB1       SER  17  -4.245  -5.554  10.519
  110    HG   SER  17           HG       SER  17  -6.386  -6.201  10.714
  111    H    ALA  18           HN       ALA  18  -4.403  -2.564   9.130
  112    HA   ALA  18           HA       ALA  18  -6.956  -1.658  10.371
  113   1HB   ALA  18          HB1       ALA  18  -6.027  -1.751  12.425
  114   2HB   ALA  18          HB2       ALA  18  -4.754  -0.652  11.892
  115   3HB   ALA  18          HB3       ALA  18  -4.542  -2.395  11.724
  116    HA   PRO  19           HA       PRO  19  -4.615   1.382   7.665
  117   1HB   PRO  19          HB2       PRO  19  -6.254   1.327   5.477
  118   2HB   PRO  19          HB1       PRO  19  -4.838   0.276   5.673
  119   1HG   PRO  19          HG2       PRO  19  -7.713  -0.347   6.014
  120   2HG   PRO  19          HG1       PRO  19  -6.395  -1.369   5.430
  121   1HD   PRO  19          HD2       PRO  19  -7.480  -1.493   7.969
  122   2HD   PRO  19          HD1       PRO  19  -5.872  -2.096   7.514
  123    HA   PRO  20           HA       PRO  20  -8.844   3.682   7.730
  124   1HB   PRO  20          HB2       PRO  20 -10.698   2.752   9.514
  125   2HB   PRO  20          HB1       PRO  20 -10.661   2.264   7.808
  126   1HG   PRO  20          HG2       PRO  20  -9.704   0.812  10.215
  127   2HG   PRO  20          HG1       PRO  20 -10.483   0.190   8.753
  128   1HD   PRO  20          HD2       PRO  20  -7.805   0.033   9.244
  129   2HD   PRO  20          HD1       PRO  20  -8.512   0.029   7.619
  130    H    PHE  21           HN       PHE  21  -7.702   2.086  10.687
  131    HA   PHE  21           HA       PHE  21  -8.104   4.541  12.289
  132   1HB   PHE  21          HB2       PHE  21  -6.723   1.950  13.044
  133   2HB   PHE  21          HB1       PHE  21  -7.507   3.109  14.120
  134    HD1  PHE  21           HD1      PHE  21  -7.962  -0.038  13.198
  135    HD2  PHE  21           HD2      PHE  21 -10.015   3.707  12.748
  136    HE1  PHE  21           HE1      PHE  21 -10.110  -1.248  12.933
  137    HE2  PHE  21           HE2      PHE  21 -12.164   2.499  12.484
  138    HZ   PHE  21           HZ       PHE  21 -12.212   0.020  12.578
  139    H    VAL  22           HN       VAL  22  -6.054   4.124   9.961
  140    HA   VAL  22           HA       VAL  22  -3.819   5.468  11.371
  141    HB   VAL  22           HB       VAL  22  -2.220   3.813  10.688
  142   1HG1  VAL  22          HG11      VAL  22  -4.659   2.299  11.651
  143   2HG1  VAL  22          HG12      VAL  22  -3.635   3.282  12.698
  144   3HG1  VAL  22          HG13      VAL  22  -2.969   1.859  11.900
  145   1HG2  VAL  22          HG21      VAL  22  -3.249   1.707   9.487
  146   2HG2  VAL  22          HG22      VAL  22  -2.822   3.132   8.539
  147   3HG2  VAL  22          HG23      VAL  22  -4.502   2.848   8.996
  148    H    GLN  23           HN       GLN  23  -1.963   5.340   9.296
  149    HA   GLN  23           HA       GLN  23  -3.327   6.224   6.811
  150   1HB   GLN  23          HB2       GLN  23  -3.224   8.207   8.240
  151   2HB   GLN  23          HB1       GLN  23  -1.504   7.940   8.525
  152   1HG   GLN  23          HG2       GLN  23  -1.235   9.376   6.777
  153   2HG   GLN  23          HG1       GLN  23  -1.574   7.948   5.797
  154   1HE2  GLN  23          HE21      GLN  23  -4.202   7.569   5.739
  155   2HE2  GLN  23          HE22      GLN  23  -5.073   8.964   5.317
  156    H    CYS  24           HN       CYS  24  -0.321   5.441   8.533
  157    HA   CYS  24           HA       CYS  24   1.438   5.626   6.284
  158   1HB   CYS  24          HB2       CYS  24   3.005   4.735   7.782
  159   2HB   CYS  24          HB1       CYS  24   1.813   5.437   8.870
  160    H    GLY  25           HN       GLY  25   2.515   3.705   5.256
  161   1HA   GLY  25          HA2       GLY  25   0.769   1.309   4.969
  162   2HA   GLY  25          HA1       GLY  25   1.186   2.225   3.521
  163    H    TRP  26           HN       TRP  26   2.104  -0.197   3.197
  164    HA   TRP  26           HA       TRP  26   4.735  -0.565   4.505
  165   1HB   TRP  26          HB2       TRP  26   2.870  -2.297   3.798
  166   2HB   TRP  26          HB1       TRP  26   3.657  -2.197   2.224
  167    HD1  TRP  26           HD1      TRP  26   5.855  -3.492   1.906
  168    HE1  TRP  26           HE1      TRP  26   7.369  -4.899   3.448
  169    HE3  TRP  26           HE3      TRP  26   3.720  -2.462   6.415
  170    HZ2  TRP  26           HZ2      TRP  26   7.644  -5.496   6.229
  171    HZ3  TRP  26           HZ3      TRP  26   4.617  -3.460   8.500
  172    HH2  TRP  26           HH2      TRP  26   6.576  -4.979   8.412
  173    H    CYS  27           HN       CYS  27   6.698  -0.069   3.522
  174    HA   CYS  27           HA       CYS  27   6.618   0.763   0.643
  175   1HB   CYS  27          HB2       CYS  27   6.441   2.727   2.059
  176   2HB   CYS  27          HB1       CYS  27   7.813   2.196   3.031
  177    H    HIS  28           HN       HIS  28   7.828  -0.966  -0.149
  178    HA   HIS  28           HA       HIS  28   9.706  -2.351  -0.515
  179   1HB   HIS  28          HB2       HIS  28  10.302  -0.093  -1.338
  180   2HB   HIS  28          HB1       HIS  28  10.986   0.289   0.243
  181    HD1  HIS  28           HD1      HIS  28  11.353  -2.993  -1.627
  182    HD2  HIS  28           HD2      HIS  28  13.710   0.215  -0.386
  183    HE1  HIS  28           HE1      HIS  28  13.754  -3.639  -2.111
  184    H    ASP  29           HN       ASP  29   8.835  -2.029   2.509
  185    HA   ASP  29           HA       ASP  29  10.739  -3.819   3.586
  186   1HB   ASP  29          HB2       ASP  29  11.868  -1.978   5.104
  187   2HB   ASP  29          HB1       ASP  29  12.493  -2.309   3.489
  188    H    LYS  30           HN       LYS  30  10.021  -0.928   5.465
  189    HA   LYS  30           HA       LYS  30   8.233  -2.604   7.155
  190   1HB   LYS  30          HB2       LYS  30   8.962  -1.258   8.928
  191   2HB   LYS  30          HB1       LYS  30  10.382  -1.294   7.886
  192   1HG   LYS  30          HG2       LYS  30   9.431   0.848   6.812
  193   2HG   LYS  30          HG1       LYS  30   8.358   0.920   8.212
  194   1HD   LYS  30          HD2       LYS  30  11.331   0.585   8.570
  195   2HD   LYS  30          HD1       LYS  30  10.621   2.185   8.351
  196   1HE   LYS  30          HE2       LYS  30  10.030   2.208  10.536
  197   2HE   LYS  30          HE1       LYS  30   9.038   0.759  10.276
  198   1HZ   LYS  30          HZ1       LYS  30  11.982   0.601  10.491
  199   2HZ   LYS  30          HZ2       LYS  30  10.841  -0.644  10.671
  200   3HZ   LYS  30          HZ3       LYS  30  10.999   0.548  11.872
  201    H    CYS  31           HN       CYS  31   6.544  -1.030   8.352
  202    HA   CYS  31           HA       CYS  31   4.828   0.023   6.204
  203   1HB   CYS  31          HB2       CYS  31   4.115  -1.477   8.108
  204   2HB   CYS  31          HB1       CYS  31   4.375  -0.107   9.189
  205    H    VAL  32           HN       VAL  32   5.443   2.056   5.552
  206    HA   VAL  32           HA       VAL  32   5.363   4.223   7.593
  207    HB   VAL  32           HB       VAL  32   7.483   5.083   6.865
  208   1HG1  VAL  32          HG11      VAL  32   7.836   2.076   6.846
  209   2HG1  VAL  32          HG12      VAL  32   7.480   2.983   8.316
  210   3HG1  VAL  32          HG13      VAL  32   8.974   3.289   7.430
  211   1HG2  VAL  32          HG21      VAL  32   6.792   3.612   4.456
  212   2HG2  VAL  32          HG22      VAL  32   8.442   3.247   4.961
  213   3HG2  VAL  32          HG23      VAL  32   7.960   4.918   4.661
  214    H    ARG  33           HN       ARG  33   5.410   6.428   6.276
  215    HA   ARG  33           HA       ARG  33   3.897   6.063   3.710
  216   1HB   ARG  33          HB2       ARG  33   2.850   6.845   6.123
  217   2HB   ARG  33          HB1       ARG  33   3.243   8.400   5.390
  218   1HG   ARG  33          HG2       ARG  33   2.111   7.271   3.255
  219   2HG   ARG  33          HG1       ARG  33   1.289   6.321   4.495
  220   1HD   ARG  33          HD2       ARG  33   0.354   8.283   5.513
  221   2HD   ARG  33          HD1       ARG  33   1.405   9.354   4.565
  222    HE   ARG  33           HE       ARG  33  -0.906   7.823   3.492
  223   1HH1  ARG  33          HH21      ARG  33   1.353   7.877   1.528
  224   2HH1  ARG  33          HH22      ARG  33   1.039   9.336   0.648
  225   1HH2  ARG  33          HH11      ARG  33  -1.147  10.608   3.020
  226   2HH2  ARG  33          HH12      ARG  33  -0.378  10.881   1.492
  227    H    SER  34           HN       SER  34   3.781   8.322   2.564
  228    HA   SER  34           HA       SER  34   6.151   9.168   1.522
  229   1HB   SER  34          HB2       SER  34   3.752   9.961   1.103
  230   2HB   SER  34          HB1       SER  34   4.010  11.117   2.408
  231    HG   SER  34           HG       SER  34   4.522  11.991   0.349
  232    H    GLU  35           HN       GLU  35   4.903  10.108   4.708
  233    HA   GLU  35           HA       GLU  35   6.579  12.224   5.420
  234   1HB   GLU  35          HB2       GLU  35   4.841  10.422   6.650
  235   2HB   GLU  35          HB1       GLU  35   6.371  10.161   7.488
  236   1HG   GLU  35          HG2       GLU  35   5.686  12.997   7.014
  237   2HG   GLU  35          HG1       GLU  35   4.610  12.148   8.125
  238    H    GLU  36           HN       GLU  36   7.368   8.788   5.147
  239    HA   GLU  36           HA       GLU  36  10.224   9.433   5.803
  240   1HB   GLU  36          HB2       GLU  36   8.513   7.691   7.031
  241   2HB   GLU  36          HB1       GLU  36   9.266   6.630   5.839
  242   1HG   GLU  36          HG2       GLU  36  11.246   6.632   6.932
  243   2HG   GLU  36          HG1       GLU  36  11.197   8.378   7.177
  244    H    CYS  37           HN       CYS  37   8.067   7.560   3.669
  245    HA   CYS  37           HA       CYS  37  10.336   6.907   1.864
  246   1HB   CYS  37          HB2       CYS  37   7.610   5.946   2.463
  247   2HB   CYS  37          HB1       CYS  37   8.020   5.917   0.748
  248    H    LEU  38           HN       LEU  38  10.095   9.588   1.779
  249    HA   LEU  38           HA       LEU  38   8.108  10.534  -0.141
  250   1HB   LEU  38          HB2       LEU  38   9.965  11.563   1.748
  251   2HB   LEU  38          HB1       LEU  38  10.398  12.255   0.184
  252    HG   LEU  38           HG       LEU  38   7.511  12.193   0.989
  253   1HD1  LEU  38          HD11      LEU  38   9.328  13.266   2.726
  254   2HD1  LEU  38          HD12      LEU  38   7.680  13.863   2.531
  255   3HD1  LEU  38          HD13      LEU  38   9.009  14.648   1.677
  256   1HD2  LEU  38          HD21      LEU  38   7.290  13.704  -0.710
  257   2HD2  LEU  38          HD22      LEU  38   8.840  13.049  -1.236
  258   3HD2  LEU  38          HD23      LEU  38   8.787  14.538  -0.293
  259    H    SER  39           HN       SER  39   9.277   8.440  -1.442
  260    HA   SER  39           HA       SER  39  11.279   9.682  -3.301
  261   1HB   SER  39          HB2       SER  39  11.023   7.134  -1.921
  262   2HB   SER  39          HB1       SER  39  11.185   6.895  -3.658
  263    HG   SER  39           HG       SER  39  12.858   8.563  -2.080
  264    H    GLY  40           HN       GLY  40   8.150   8.137  -3.031
  265   1HA   GLY  40          HA2       GLY  40   6.541   8.750  -4.863
  266   2HA   GLY  40          HA1       GLY  40   7.839   8.372  -5.998
  267    H    THR  41           HN       THR  41   7.588   6.330  -3.224
  268    HA   THR  41           HA       THR  41   6.066   4.295  -4.803
  269    HB   THR  41           HB       THR  41   8.624   4.154  -4.960
  270    HG1  THR  41           HG1      THR  41   8.508   1.832  -4.406
  271   1HG2  THR  41          HG21      THR  41   8.467   2.944  -2.213
  272   2HG2  THR  41          HG22      THR  41   8.746   4.676  -2.396
  273   3HG2  THR  41          HG23      THR  41   9.882   3.521  -3.093
  274    H    TRP  42           HN       TRP  42   4.376   3.664  -3.544
  275    HA   TRP  42           HA       TRP  42   4.836   3.076  -0.665
  276   1HB   TRP  42          HB2       TRP  42   4.147   5.464  -0.891
  277   2HB   TRP  42          HB1       TRP  42   2.687   4.941  -1.732
  278    HD1  TRP  42           HD1      TRP  42   4.440   4.508   1.674
  279    HE1  TRP  42           HE1      TRP  42   2.633   4.108   3.463
  280    HE3  TRP  42           HE3      TRP  42   0.292   4.324  -1.296
  281    HZ2  TRP  42           HZ2      TRP  42  -0.212   3.761   3.616
  282    HZ3  TRP  42           HZ3      TRP  42  -1.949   3.959  -0.309
  283    HH2  TRP  42           HH2      TRP  42  -2.209   3.676   2.141
  284    H    THR  43           HN       THR  43   3.912   1.074  -0.328
  285    HA   THR  43           HA       THR  43   1.603   0.309  -2.086
  286    HB   THR  43           HB       THR  43   3.595  -0.954  -2.594
  287    HG1  THR  43           HG1      THR  43   2.824  -3.048  -1.406
  288   1HG2  THR  43          HG21      THR  43   3.744  -1.428   0.394
  289   2HG2  THR  43          HG22      THR  43   4.887  -0.514  -0.589
  290   3HG2  THR  43          HG23      THR  43   4.749  -2.261  -0.793
  291    H    GLN  44           HN       GLN  44  -0.172  -0.657  -1.126
  292    HA   GLN  44           HA       GLN  44  -0.172  -0.859   1.869
  293   1HB   GLN  44          HB2       GLN  44  -1.495   0.967   0.370
  294   2HB   GLN  44          HB1       GLN  44  -2.677  -0.341   0.341
  295   1HG   GLN  44          HG2       GLN  44  -2.336  -0.457   2.897
  296   2HG   GLN  44          HG1       GLN  44  -1.561   1.120   2.735
  297   1HE2  GLN  44          HE21      GLN  44  -3.831   1.213   4.228
  298   2HE2  GLN  44          HE22      GLN  44  -5.136   1.850   3.350
  299    H    GLN  45           HN       GLN  45   0.172  -2.816  -0.548
  300    HA   GLN  45           HA       GLN  45  -1.677  -4.888   0.532
  301   1HB   GLN  45          HB2       GLN  45  -2.105  -5.456  -1.966
  302   2HB   GLN  45          HB1       GLN  45  -2.933  -4.049  -1.298
  303   1HG   GLN  45          HG2       GLN  45  -1.595  -2.544  -2.443
  304   2HG   GLN  45          HG1       GLN  45  -0.227  -3.655  -2.514
  305   1HE2  GLN  45          HE21      GLN  45  -0.335  -2.931  -4.922
  306   2HE2  GLN  45          HE22      GLN  45  -1.353  -3.822  -5.948
  307    H    ILE  46           HN       ILE  46  -0.050  -6.259   1.264
  308    HA   ILE  46           HA       ILE  46   1.722  -7.454  -0.795
  309    HB   ILE  46           HB       ILE  46   3.055  -5.633   0.034
  310   1HG1  ILE  46          HG12      ILE  46   4.838  -6.866   1.334
  311   2HG1  ILE  46          HG11      ILE  46   3.735  -8.238   1.430
  312   1HG2  ILE  46          HG21      ILE  46   1.470  -5.687   2.240
  313   2HG2  ILE  46          HG22      ILE  46   3.016  -4.844   2.183
  314   3HG2  ILE  46          HG23      ILE  46   2.919  -6.459   2.883
  315   1HD1  ILE  46          HD11      ILE  46   5.522  -7.901  -0.588
  316   2HD1  ILE  46          HD12      ILE  46   4.113  -7.095  -1.277
  317   3HD1  ILE  46          HD13      ILE  46   4.005  -8.781  -0.772
  318    H    CYS  47           HN       CYS  47   0.898  -7.408   2.690
  319    HA   CYS  47           HA       CYS  47   1.447 -10.319   2.875
  320   1HB   CYS  47          HB2       CYS  47   0.677  -8.172   4.878
  321   2HB   CYS  47          HB1       CYS  47   1.062  -9.839   5.305
  322    H    LEU  48           HN       LEU  48  -0.222 -11.719   2.487
  323    HA   LEU  48           HA       LEU  48  -2.993 -10.809   2.335
  324   1HB   LEU  48          HB2       LEU  48  -1.487 -13.408   2.061
  325   2HB   LEU  48          HB1       LEU  48  -3.251 -13.388   2.035
  326    HG   LEU  48           HG       LEU  48  -2.568 -11.317   0.319
  327   1HD1  LEU  48          HD11      LEU  48  -0.820 -13.676  -0.390
  328   2HD1  LEU  48          HD12      LEU  48  -0.193 -12.291   0.503
  329   3HD1  LEU  48          HD13      LEU  48  -0.839 -12.073  -1.124
  330   1HD2  LEU  48          HD21      LEU  48  -3.875 -13.860   0.260
  331   2HD2  LEU  48          HD22      LEU  48  -2.872 -13.732  -1.185
  332   3HD2  LEU  48          HD23      LEU  48  -4.089 -12.502  -0.844
  Start of MODEL    5
    1   1H    GLY   1           HT1      GLY   1   5.940  12.458  15.349
    2   2H    GLY   1           HT2      GLY   1   5.236  13.436  16.546
    3   3H    GLY   1           HT3      GLY   1   6.722  13.876  15.850
    4   1HA   GLY   1          HA2       GLY   1   4.685  15.119  15.046
    5   2HA   GLY   1          HA1       GLY   1   5.757  14.449  13.817
    6    H    SER   2           HN       SER   2   2.784  14.965  13.787
    7    HA   SER   2           HA       SER   2   0.851  13.881  12.965
    8   1HB   SER   2          HB2       SER   2   1.884  13.235  11.025
    9   2HB   SER   2          HB1       SER   2   3.269  12.556  11.878
   10    HG   SER   2           HG       SER   2   1.156  11.298  10.860
   11    H    ALA   3           HN       ALA   3  -0.079  11.391  12.888
   12    HA   ALA   3           HA       ALA   3  -0.074  10.535  15.710
   13   1HB   ALA   3          HB1       ALA   3  -1.832   8.936  14.683
   14   2HB   ALA   3          HB2       ALA   3  -1.601   9.851  13.192
   15   3HB   ALA   3          HB3       ALA   3  -2.194  10.661  14.643
   16    H    MET   4           HN       MET   4   0.217   8.198  16.237
   17    HA   MET   4           HA       MET   4   2.173   6.854  14.397
   18   1HB   MET   4          HB2       MET   4   2.152   7.484  17.308
   19   2HB   MET   4          HB1       MET   4   2.829   5.923  16.848
   20   1HG   MET   4          HG2       MET   4   4.405   6.990  15.338
   21   2HG   MET   4          HG1       MET   4   3.661   8.565  15.615
   22   1HE   MET   4          HE1       MET   4   7.316   7.686  17.058
   23   2HE   MET   4          HE2       MET   4   6.690   9.267  16.602
   24   3HE   MET   4          HE3       MET   4   6.385   7.876  15.566
   25    H    GLY   5           HN       GLY   5   0.258   5.684  13.513
   26   1HA   GLY   5          HA2       GLY   5  -0.778   3.610  15.406
   27   2HA   GLY   5          HA1       GLY   5  -1.706   4.224  14.038
   28    H    CYS   6           HN       CYS   6  -0.570   3.896  11.844
   29    HA   CYS   6           HA       CYS   6  -0.049   1.090  11.468
   30   1HB   CYS   6          HB2       CYS   6  -1.039   2.337   9.705
   31   2HB   CYS   6          HB1       CYS   6   0.185   3.599   9.799
   32    H    ARG   7           HN       ARG   7   2.085   3.953  11.571
   33    HA   ARG   7           HA       ARG   7   4.514   2.588  10.879
   34   1HB   ARG   7          HB2       ARG   7   3.894   5.103  11.002
   35   2HB   ARG   7          HB1       ARG   7   4.282   4.972  12.718
   36   1HG   ARG   7          HG2       ARG   7   6.457   5.215  12.203
   37   2HG   ARG   7          HG1       ARG   7   6.385   3.684  11.330
   38   1HD   ARG   7          HD2       ARG   7   7.131   5.238   9.692
   39   2HD   ARG   7          HD1       ARG   7   5.388   5.110   9.379
   40    HE   ARG   7           HE       ARG   7   6.736   7.461  10.403
   41   1HH1  ARG   7          HH21      ARG   7   3.902   6.670   9.084
   42   2HH1  ARG   7          HH22      ARG   7   2.873   7.490  10.211
   43   1HH2  ARG   7          HH11      ARG   7   5.404   8.050  12.516
   44   2HH2  ARG   7          HH12      ARG   7   3.724   8.272  12.156
   45    H    HIS   8           HN       HIS   8   2.780   2.981  13.930
   46    HA   HIS   8           HA       HIS   8   4.972   2.071  15.611
   47   1HB   HIS   8          HB2       HIS   8   3.551   2.986  17.113
   48   2HB   HIS   8          HB1       HIS   8   2.365   3.206  15.834
   49    HD1  HIS   8           HD1      HIS   8   3.562   0.155  17.817
   50    HD2  HIS   8           HD2      HIS   8   0.020   2.005  16.629
   51    HE1  HIS   8           HE1      HIS   8   1.673  -1.276  18.708
   52    H    PHE   9           HN       PHE   9   2.512   0.506  13.699
   53    HA   PHE   9           HA       PHE   9   2.215  -1.982  14.988
   54   1HB   PHE   9          HB2       PHE   9   2.345  -1.164  12.073
   55   2HB   PHE   9          HB1       PHE   9   1.838  -2.769  12.594
   56    HD1  PHE   9           HD1      PHE   9   0.843  -0.723  15.199
   57    HD2  PHE   9           HD2      PHE   9  -0.159  -1.577  11.112
   58    HE1  PHE   9           HE1      PHE   9  -1.458   0.124  15.581
   59    HE2  PHE   9           HE2      PHE   9  -2.457  -0.729  11.493
   60    HZ   PHE   9           HZ       PHE   9  -3.106   0.122  13.730
   61    H    GLN  10           HN       GLN  10   3.298  -4.047  14.498
   62    HA   GLN  10           HA       GLN  10   6.234  -3.714  14.250
   63   1HB   GLN  10          HB2       GLN  10   4.310  -5.854  15.148
   64   2HB   GLN  10          HB1       GLN  10   6.002  -6.250  14.845
   65   1HG   GLN  10          HG2       GLN  10   6.638  -5.320  16.793
   66   2HG   GLN  10          HG1       GLN  10   5.795  -3.820  16.408
   67   1HE2  GLN  10          HE21      GLN  10   5.734  -6.568  18.454
   68   2HE2  GLN  10          HE22      GLN  10   4.168  -6.358  19.076
   69    H    SER  11           HN       SER  11   4.015  -6.244  13.026
   70    HA   SER  11           HA       SER  11   5.697  -6.509  10.599
   71   1HB   SER  11          HB2       SER  11   3.805  -8.104  12.189
   72   2HB   SER  11          HB1       SER  11   3.607  -8.317  10.451
   73    HG   SER  11           HG       SER  11   5.497  -9.297  12.051
   74    H    CYS  12           HN       CYS  12   3.988  -7.216   8.643
   75    HA   CYS  12           HA       CYS  12   2.617  -4.695   7.988
   76   1HB   CYS  12          HB2       CYS  12   2.456  -5.726   5.786
   77   2HB   CYS  12          HB1       CYS  12   4.069  -6.036   6.429
   78    H    SER  13           HN       SER  13   1.735  -7.476   9.645
   79    HA   SER  13           HA       SER  13  -0.821  -8.160   8.617
   80   1HB   SER  13          HB2       SER  13   0.829  -8.629  10.907
   81   2HB   SER  13          HB1       SER  13  -0.802  -8.276  11.473
   82    HG   SER  13           HG       SER  13   0.152 -10.478  10.249
   83    H    GLN  14           HN       GLN  14  -0.161  -6.010  11.421
   84    HA   GLN  14           HA       GLN  14  -2.851  -4.955  11.488
   85   1HB   GLN  14          HB2       GLN  14  -1.098  -5.092  13.340
   86   2HB   GLN  14          HB1       GLN  14  -0.314  -3.708  12.575
   87   1HG   GLN  14          HG2       GLN  14  -1.689  -2.539  13.993
   88   2HG   GLN  14          HG1       GLN  14  -2.839  -2.770  12.675
   89   1HE2  GLN  14          HE21      GLN  14  -4.818  -3.514  13.430
   90   2HE2  GLN  14          HE22      GLN  14  -5.033  -4.556  14.753
   91    H    CYS  15           HN       CYS  15   0.191  -3.861  10.030
   92    HA   CYS  15           HA       CYS  15  -0.391  -1.227   9.313
   93   1HB   CYS  15          HB2       CYS  15   1.152  -3.508   8.157
   94   2HB   CYS  15          HB1       CYS  15   0.947  -2.074   7.151
   95    H    LEU  16           HN       LEU  16  -1.263  -4.176   7.476
   96    HA   LEU  16           HA       LEU  16  -3.023  -2.515   5.737
   97   1HB   LEU  16          HB2       LEU  16  -1.746  -5.242   5.608
   98   2HB   LEU  16          HB1       LEU  16  -3.065  -4.820   4.512
   99    HG   LEU  16           HG       LEU  16  -1.801  -2.840   3.748
  100   1HD1  LEU  16          HD11      LEU  16  -0.008  -3.726   5.954
  101   2HD1  LEU  16          HD12      LEU  16  -0.379  -2.096   5.391
  102   3HD1  LEU  16          HD13      LEU  16   0.770  -3.096   4.502
  103   1HD2  LEU  16          HD21      LEU  16  -1.502  -4.961   2.540
  104   2HD2  LEU  16          HD22      LEU  16  -0.214  -5.426   3.651
  105   3HD2  LEU  16          HD23      LEU  16   0.010  -4.054   2.565
  106    H    SER  17           HN       SER  17  -3.314  -4.233   8.583
  107    HA   SER  17           HA       SER  17  -5.995  -5.363   7.930
  108   1HB   SER  17          HB2       SER  17  -4.058  -5.575  10.240
  109   2HB   SER  17          HB1       SER  17  -5.690  -6.224  10.336
  110    HG   SER  17           HG       SER  17  -4.982  -7.188   8.159
  111    H    ALA  18           HN       ALA  18  -4.583  -2.537   9.208
  112    HA   ALA  18           HA       ALA  18  -7.237  -1.641  10.233
  113   1HB   ALA  18          HB1       ALA  18  -5.029  -0.708  11.882
  114   2HB   ALA  18          HB2       ALA  18  -5.075  -2.470  11.831
  115   3HB   ALA  18          HB3       ALA  18  -6.490  -1.566  12.371
  116    HA   PRO  19           HA       PRO  19  -4.683   1.394   7.730
  117   1HB   PRO  19          HB2       PRO  19  -6.217   1.426   5.467
  118   2HB   PRO  19          HB1       PRO  19  -4.841   0.334   5.710
  119   1HG   PRO  19          HG2       PRO  19  -7.744  -0.215   5.890
  120   2HG   PRO  19          HG1       PRO  19  -6.422  -1.264   5.366
  121   1HD   PRO  19          HD2       PRO  19  -7.651  -1.387   7.842
  122   2HD   PRO  19          HD1       PRO  19  -6.043  -2.038   7.465
  123    HA   PRO  20           HA       PRO  20  -8.814   3.843   7.613
  124   1HB   PRO  20          HB2       PRO  20 -10.816   2.941   9.245
  125   2HB   PRO  20          HB1       PRO  20 -10.683   2.490   7.535
  126   1HG   PRO  20          HG2       PRO  20  -9.950   0.948   9.962
  127   2HG   PRO  20          HG1       PRO  20 -10.638   0.388   8.431
  128   1HD   PRO  20          HD2       PRO  20  -8.004   0.137   9.124
  129   2HD   PRO  20          HD1       PRO  20  -8.594   0.171   7.452
  130    H    PHE  21           HN       PHE  21  -7.520   2.240  10.423
  131    HA   PHE  21           HA       PHE  21  -8.107   4.585  12.167
  132   1HB   PHE  21          HB2       PHE  21  -6.727   1.976  12.848
  133   2HB   PHE  21          HB1       PHE  21  -7.547   3.081  13.951
  134    HD1  PHE  21           HD1      PHE  21  -7.978  -0.028  13.046
  135    HD2  PHE  21           HD2      PHE  21  -9.999   3.705  12.379
  136    HE1  PHE  21           HE1      PHE  21 -10.107  -1.245  12.680
  137    HE2  PHE  21           HE2      PHE  21 -12.129   2.486  12.015
  138    HZ   PHE  21           HZ       PHE  21 -12.182   0.011  12.166
  139    H    VAL  22           HN       VAL  22  -5.732   3.569  10.035
  140    HA   VAL  22           HA       VAL  22  -3.653   5.171  11.482
  141    HB   VAL  22           HB       VAL  22  -2.022   3.508  10.739
  142   1HG1  VAL  22          HG11      VAL  22  -3.119   3.024  12.852
  143   2HG1  VAL  22          HG12      VAL  22  -2.928   1.510  11.969
  144   3HG1  VAL  22          HG13      VAL  22  -4.498   2.310  12.016
  145   1HG2  VAL  22          HG21      VAL  22  -2.697   2.668   8.684
  146   2HG2  VAL  22          HG22      VAL  22  -4.387   2.542   9.176
  147   3HG2  VAL  22          HG23      VAL  22  -3.215   1.347   9.731
  148    H    GLN  23           HN       GLN  23  -1.787   5.600   9.721
  149    HA   GLN  23           HA       GLN  23  -3.098   6.349   7.130
  150   1HB   GLN  23          HB2       GLN  23  -3.061   8.395   8.205
  151   2HB   GLN  23          HB1       GLN  23  -1.693   7.952   9.221
  152   1HG   GLN  23          HG2       GLN  23  -1.076   8.121   6.335
  153   2HG   GLN  23          HG1       GLN  23  -1.527   9.652   7.085
  154   1HE2  GLN  23          HE21      GLN  23   1.047   7.382   6.725
  155   2HE2  GLN  23          HE22      GLN  23   2.101   8.063   7.868
  156    H    CYS  24           HN       CYS  24  -0.237   5.207   8.806
  157    HA   CYS  24           HA       CYS  24   1.619   5.591   6.620
  158   1HB   CYS  24          HB2       CYS  24   2.958   5.150   8.378
  159   2HB   CYS  24          HB1       CYS  24   1.563   4.703   9.341
  160    H    GLY  25           HN       GLY  25   2.717   3.651   5.584
  161   1HA   GLY  25          HA2       GLY  25   0.960   1.314   5.123
  162   2HA   GLY  25          HA1       GLY  25   1.343   2.312   3.718
  163    H    TRP  26           HN       TRP  26   2.302  -0.094   3.307
  164    HA   TRP  26           HA       TRP  26   4.981  -0.399   4.531
  165   1HB   TRP  26          HB2       TRP  26   3.141  -2.182   3.881
  166   2HB   TRP  26          HB1       TRP  26   3.872  -2.057   2.284
  167    HD1  TRP  26           HD1      TRP  26   6.162  -3.189   1.899
  168    HE1  TRP  26           HE1      TRP  26   7.740  -4.596   3.373
  169    HE3  TRP  26           HE3      TRP  26   3.989  -2.468   6.459
  170    HZ2  TRP  26           HZ2      TRP  26   8.049  -5.313   6.121
  171    HZ3  TRP  26           HZ3      TRP  26   4.940  -3.527   8.490
  172    HH2  TRP  26           HH2      TRP  26   6.964  -4.950   8.326
  173    H    CYS  27           HN       CYS  27   6.887   0.149   3.467
  174    HA   CYS  27           HA       CYS  27   6.639   1.088   0.627
  175   1HB   CYS  27          HB2       CYS  27   6.794   2.829   2.504
  176   2HB   CYS  27          HB1       CYS  27   8.444   2.258   2.752
  177    H    HIS  28           HN       HIS  28   7.602  -0.705  -0.346
  178    HA   HIS  28           HA       HIS  28   9.283  -2.293  -0.873
  179   1HB   HIS  28          HB2       HIS  28  10.741   0.315  -0.383
  180   2HB   HIS  28          HB1       HIS  28  11.418  -1.048  -1.273
  181    HD1  HIS  28           HD1      HIS  28  10.538  -1.485  -3.646
  182    HD2  HIS  28           HD2      HIS  28   8.570   1.647  -1.722
  183    HE1  HIS  28           HE1      HIS  28   9.135  -0.328  -5.410
  184    H    ASP  29           HN       ASP  29   8.827  -1.864   2.244
  185    HA   ASP  29           HA       ASP  29  10.665  -3.789   3.145
  186   1HB   ASP  29          HB2       ASP  29  12.227  -2.048   4.370
  187   2HB   ASP  29          HB1       ASP  29  12.545  -2.509   2.698
  188    H    LYS  30           HN       LYS  30  10.414  -0.675   4.837
  189    HA   LYS  30           HA       LYS  30   9.052  -2.067   7.072
  190   1HB   LYS  30          HB2       LYS  30  11.132  -0.372   6.967
  191   2HB   LYS  30          HB1       LYS  30   9.836   0.814   7.131
  192   1HG   LYS  30          HG2       LYS  30   9.049  -0.910   9.032
  193   2HG   LYS  30          HG1       LYS  30  10.781  -1.243   9.070
  194   1HD   LYS  30          HD2       LYS  30   9.871   1.612   9.045
  195   2HD   LYS  30          HD1       LYS  30   9.757   0.701  10.551
  196   1HE   LYS  30          HE2       LYS  30  12.326   0.284   9.206
  197   2HE   LYS  30          HE1       LYS  30  12.046   1.983   9.637
  198   1HZ   LYS  30          HZ1       LYS  30  11.152   0.969  11.822
  199   2HZ   LYS  30          HZ2       LYS  30  12.832   1.109  11.609
  200   3HZ   LYS  30          HZ3       LYS  30  12.067  -0.390  11.384
  201    H    CYS  31           HN       CYS  31   7.383  -0.592   8.258
  202    HA   CYS  31           HA       CYS  31   5.313   0.155   6.280
  203   1HB   CYS  31          HB2       CYS  31   5.253  -1.279   8.560
  204   2HB   CYS  31          HB1       CYS  31   4.892   0.313   9.226
  205    H    VAL  32           HN       VAL  32   5.661   2.224   5.549
  206    HA   VAL  32           HA       VAL  32   5.565   4.426   7.543
  207    HB   VAL  32           HB       VAL  32   7.533   5.467   6.588
  208   1HG1  VAL  32          HG11      VAL  32   7.796   3.483   8.210
  209   2HG1  VAL  32          HG12      VAL  32   9.218   3.938   7.273
  210   3HG1  VAL  32          HG13      VAL  32   8.256   2.540   6.793
  211   1HG2  VAL  32          HG21      VAL  32   8.699   3.798   4.791
  212   2HG2  VAL  32          HG22      VAL  32   7.637   5.127   4.325
  213   3HG2  VAL  32          HG23      VAL  32   6.999   3.488   4.441
  214    H    ARG  33           HN       ARG  33   5.351   6.589   6.172
  215    HA   ARG  33           HA       ARG  33   3.701   5.989   3.740
  216   1HB   ARG  33          HB2       ARG  33   2.820   6.940   6.166
  217   2HB   ARG  33          HB1       ARG  33   3.067   8.432   5.255
  218   1HG   ARG  33          HG2       ARG  33   1.872   6.725   3.410
  219   2HG   ARG  33          HG1       ARG  33   1.019   6.377   4.913
  220   1HD   ARG  33          HD2       ARG  33   0.600   8.819   5.215
  221   2HD   ARG  33          HD1       ARG  33   1.375   9.115   3.646
  222    HE   ARG  33           HE       ARG  33  -1.261   7.912   4.042
  223   1HH1  ARG  33          HH21      ARG  33   1.556   8.115   2.053
  224   2HH1  ARG  33          HH22      ARG  33   0.717   7.696   0.598
  225   1HH2  ARG  33          HH11      ARG  33  -2.369   7.382   2.147
  226   2HH2  ARG  33          HH12      ARG  33  -1.503   7.281   0.651
  227    H    SER  34           HN       SER  34   3.407   8.139   2.447
  228    HA   SER  34           HA       SER  34   5.686   8.958   1.172
  229   1HB   SER  34          HB2       SER  34   3.282  10.617   1.990
  230   2HB   SER  34          HB1       SER  34   4.428  11.096   0.742
  231    HG   SER  34           HG       SER  34   2.436   9.874   0.117
  232    H    GLU  35           HN       GLU  35   4.393  10.528   4.127
  233    HA   GLU  35           HA       GLU  35   6.241  12.585   4.484
  234   1HB   GLU  35          HB2       GLU  35   4.424  10.968   6.068
  235   2HB   GLU  35          HB1       GLU  35   5.854  11.395   7.011
  236   1HG   GLU  35          HG2       GLU  35   5.080  13.491   7.263
  237   2HG   GLU  35          HG1       GLU  35   5.044  13.695   5.511
  238    H    GLU  36           HN       GLU  36   6.731   9.122   4.875
  239    HA   GLU  36           HA       GLU  36   9.478   9.579   5.953
  240   1HB   GLU  36          HB2       GLU  36   7.542   7.270   5.785
  241   2HB   GLU  36          HB1       GLU  36   9.247   6.986   6.137
  242   1HG   GLU  36          HG2       GLU  36   8.024   9.163   7.709
  243   2HG   GLU  36          HG1       GLU  36   7.364   7.560   8.039
  244    H    CYS  37           HN       CYS  37   7.821   7.669   3.409
  245    HA   CYS  37           HA       CYS  37  10.355   7.142   2.015
  246   1HB   CYS  37          HB2       CYS  37   7.589   6.236   2.045
  247   2HB   CYS  37          HB1       CYS  37   8.160   6.477   0.394
  248    H    LEU  38           HN       LEU  38  11.182   9.077   1.160
  249    HA   LEU  38           HA       LEU  38   9.406  10.976  -0.232
  250   1HB   LEU  38          HB2       LEU  38  11.925  10.962   1.099
  251   2HB   LEU  38          HB1       LEU  38  12.216  11.479  -0.562
  252    HG   LEU  38           HG       LEU  38  10.254  12.684   1.406
  253   1HD1  LEU  38          HD11      LEU  38  12.650  13.833  -0.059
  254   2HD1  LEU  38          HD12      LEU  38  12.624  13.373   1.644
  255   3HD1  LEU  38          HD13      LEU  38  11.617  14.705   1.074
  256   1HD2  LEU  38          HD21      LEU  38   9.031  13.320  -0.380
  257   2HD2  LEU  38          HD22      LEU  38  10.185  12.570  -1.483
  258   3HD2  LEU  38          HD23      LEU  38  10.427  14.235  -0.951
  259    H    SER  39           HN       SER  39  10.560   8.065  -1.136
  260    HA   SER  39           HA       SER  39  11.825   8.638  -3.685
  261   1HB   SER  39          HB2       SER  39  11.117   6.129  -3.966
  262   2HB   SER  39          HB1       SER  39  12.294   6.544  -2.724
  263    HG   SER  39           HG       SER  39  10.920   5.835  -1.316
  264    H    GLY  40           HN       GLY  40   8.539   8.537  -2.575
  265   1HA   GLY  40          HA2       GLY  40   6.679   9.367  -3.851
  266   2HA   GLY  40          HA1       GLY  40   7.609   9.108  -5.328
  267    H    THR  41           HN       THR  41   7.868   6.460  -3.248
  268    HA   THR  41           HA       THR  41   5.721   5.010  -4.764
  269    HB   THR  41           HB       THR  41   8.094   4.488  -5.365
  270    HG1  THR  41           HG1      THR  41   6.472   2.562  -4.098
  271   1HG2  THR  41          HG21      THR  41   8.279   3.399  -2.548
  272   2HG2  THR  41          HG22      THR  41   8.962   4.948  -3.039
  273   3HG2  THR  41          HG23      THR  41   9.559   3.453  -3.759
  274    H    TRP  42           HN       TRP  42   4.130   4.238  -3.450
  275    HA   TRP  42           HA       TRP  42   4.824   3.407  -0.660
  276   1HB   TRP  42          HB2       TRP  42   3.974   5.738  -0.693
  277   2HB   TRP  42          HB1       TRP  42   2.529   5.192  -1.542
  278    HD1  TRP  42           HD1      TRP  42   4.380   4.549   1.787
  279    HE1  TRP  42           HE1      TRP  42   2.621   3.981   3.584
  280    HE3  TRP  42           HE3      TRP  42   0.160   4.552  -1.087
  281    HZ2  TRP  42           HZ2      TRP  42  -0.213   3.582   3.773
  282    HZ3  TRP  42           HZ3      TRP  42  -2.053   4.076  -0.077
  283    HH2  TRP  42           HH2      TRP  42  -2.245   3.591   2.347
  284    H    THR  43           HN       THR  43   3.870   1.432  -0.180
  285    HA   THR  43           HA       THR  43   1.571   0.562  -1.904
  286    HB   THR  43           HB       THR  43   3.591  -0.533  -2.647
  287    HG1  THR  43           HG1      THR  43   3.086  -2.741  -1.600
  288   1HG2  THR  43          HG21      THR  43   4.929  -0.054  -0.615
  289   2HG2  THR  43          HG22      THR  43   5.058  -1.743  -1.102
  290   3HG2  THR  43          HG23      THR  43   4.026  -1.294   0.255
  291    H    GLN  44           HN       GLN  44   0.087  -0.906  -0.872
  292    HA   GLN  44           HA       GLN  44   0.385  -1.232   2.083
  293   1HB   GLN  44          HB2       GLN  44  -2.053  -0.505   2.210
  294   2HB   GLN  44          HB1       GLN  44  -0.915   0.772   1.781
  295   1HG   GLN  44          HG2       GLN  44  -2.686   1.007   0.223
  296   2HG   GLN  44          HG1       GLN  44  -1.424   0.161  -0.670
  297   1HE2  GLN  44          HE21      GLN  44  -4.025  -0.863   1.629
  298   2HE2  GLN  44          HE22      GLN  44  -4.595  -2.123   0.645
  299    H    GLN  45           HN       GLN  45   0.610  -3.097  -0.215
  300    HA   GLN  45           HA       GLN  45  -1.431  -5.071   0.679
  301   1HB   GLN  45          HB2       GLN  45  -2.110  -3.656  -1.385
  302   2HB   GLN  45          HB1       GLN  45  -0.868  -4.567  -2.246
  303   1HG   GLN  45          HG2       GLN  45  -3.076  -5.639  -2.496
  304   2HG   GLN  45          HG1       GLN  45  -1.967  -6.680  -1.603
  305   1HE2  GLN  45          HE21      GLN  45  -3.401  -7.753  -0.180
  306   2HE2  GLN  45          HE22      GLN  45  -4.417  -6.951   0.917
  307    H    ILE  46           HN       ILE  46   0.070  -6.556   1.490
  308    HA   ILE  46           HA       ILE  46   1.933  -7.776  -0.484
  309    HB   ILE  46           HB       ILE  46   3.270  -6.063   0.556
  310   1HG1  ILE  46          HG12      ILE  46   4.252  -8.083   2.390
  311   2HG1  ILE  46          HG11      ILE  46   3.804  -8.815   0.850
  312   1HG2  ILE  46          HG21      ILE  46   2.391  -7.157   3.241
  313   2HG2  ILE  46          HG22      ILE  46   1.660  -5.744   2.480
  314   3HG2  ILE  46          HG23      ILE  46   3.362  -5.715   2.943
  315   1HD1  ILE  46          HD11      ILE  46   5.774  -6.577   1.340
  316   2HD1  ILE  46          HD12      ILE  46   5.121  -6.917  -0.262
  317   3HD1  ILE  46          HD13      ILE  46   6.070  -8.141   0.581
  318    H    CYS  47           HN       CYS  47   0.510  -7.847   2.779
  319    HA   CYS  47           HA       CYS  47   0.679 -10.842   2.680
  320   1HB   CYS  47          HB2       CYS  47   0.844 -10.560   5.240
  321   2HB   CYS  47          HB1       CYS  47   2.260 -10.093   4.299
  322    H    LEU  48           HN       LEU  48  -1.060 -11.899   4.004
  323    HA   LEU  48           HA       LEU  48  -3.616 -10.401   3.727
  324   1HB   LEU  48          HB2       LEU  48  -2.653 -13.172   3.582
  325   2HB   LEU  48          HB1       LEU  48  -4.162 -13.013   4.481
  326    HG   LEU  48           HG       LEU  48  -4.826 -11.450   2.446
  327   1HD1  LEU  48          HD11      LEU  48  -2.429 -11.816   1.527
  328   2HD1  LEU  48          HD12      LEU  48  -3.775 -11.952   0.395
  329   3HD1  LEU  48          HD13      LEU  48  -3.014 -13.406   1.040
  330   1HD2  LEU  48          HD21      LEU  48  -6.206 -13.294   2.762
  331   2HD2  LEU  48          HD22      LEU  48  -4.865 -14.436   2.718
  332   3HD2  LEU  48          HD23      LEU  48  -5.460 -13.717   1.222
  Start of MODEL    6
    1   1H    GLY   1           HT1      GLY   1  -4.995  -5.700  19.528
    2   2H    GLY   1           HT2      GLY   1  -5.501  -4.469  18.472
    3   3H    GLY   1           HT3      GLY   1  -6.171  -6.026  18.349
    4   1HA   GLY   1          HA2       GLY   1  -7.504  -5.777  20.172
    5   2HA   GLY   1          HA1       GLY   1  -6.429  -4.574  20.887
    6    H    SER   2           HN       SER   2  -6.687  -2.401  20.322
    7    HA   SER   2           HA       SER   2  -9.184  -1.773  18.820
    8   1HB   SER   2          HB2       SER   2  -7.376  -0.142  20.633
    9   2HB   SER   2          HB1       SER   2  -8.898   0.425  19.953
   10    HG   SER   2           HG       SER   2  -8.634  -1.917  21.535
   11    H    ALA   3           HN       ALA   3  -5.720  -1.543  18.616
   12    HA   ALA   3           HA       ALA   3  -4.316  -0.705  16.913
   13   1HB   ALA   3          HB1       ALA   3  -5.303  -0.792  14.696
   14   2HB   ALA   3          HB2       ALA   3  -6.926  -0.665  15.373
   15   3HB   ALA   3          HB3       ALA   3  -5.971  -2.121  15.646
   16    H    MET   4           HN       MET   4  -3.657   1.362  17.462
   17    HA   MET   4           HA       MET   4  -5.434   3.616  16.605
   18   1HB   MET   4          HB2       MET   4  -3.864   3.249  19.175
   19   2HB   MET   4          HB1       MET   4  -4.586   4.783  18.688
   20   1HG   MET   4          HG2       MET   4  -6.723   4.065  19.098
   21   2HG   MET   4          HG1       MET   4  -6.371   2.410  18.602
   22   1HE   MET   4          HE1       MET   4  -7.952   3.558  21.671
   23   2HE   MET   4          HE2       MET   4  -7.001   4.861  20.962
   24   3HE   MET   4          HE3       MET   4  -6.623   4.287  22.584
   25    H    GLY   5           HN       GLY   5  -3.182   2.400  15.183
   26   1HA   GLY   5          HA2       GLY   5  -1.819   4.480  14.087
   27   2HA   GLY   5          HA1       GLY   5  -0.900   4.213  15.569
   28    H    CYS   6           HN       CYS   6  -0.899   3.457  12.378
   29    HA   CYS   6           HA       CYS   6  -0.114   0.630  12.594
   30   1HB   CYS   6          HB2       CYS   6   0.273   0.942  10.130
   31   2HB   CYS   6          HB1       CYS   6  -1.342   1.421  10.647
   32    H    ARG   7           HN       ARG   7   1.462   3.773  12.380
   33    HA   ARG   7           HA       ARG   7   4.080   2.949  11.625
   34   1HB   ARG   7          HB2       ARG   7   2.762   5.273  12.258
   35   2HB   ARG   7          HB1       ARG   7   3.835   5.092  13.645
   36   1HG   ARG   7          HG2       ARG   7   5.764   5.218  12.343
   37   2HG   ARG   7          HG1       ARG   7   4.928   4.696  10.879
   38   1HD   ARG   7          HD2       ARG   7   3.586   6.933  11.139
   39   2HD   ARG   7          HD1       ARG   7   4.950   7.422  12.164
   40    HE   ARG   7           HE       ARG   7   6.300   6.448  10.053
   41   1HH1  ARG   7          HH21      ARG   7   3.254   7.103   9.087
   42   2HH1  ARG   7          HH22      ARG   7   3.630   8.448   8.062
   43   1HH2  ARG   7          HH11      ARG   7   6.889   8.748   9.207
   44   2HH2  ARG   7          HH12      ARG   7   5.688   9.380   8.131
   45    H    HIS   8           HN       HIS   8   2.289   2.289  14.475
   46    HA   HIS   8           HA       HIS   8   4.760   1.716  16.048
   47   1HB   HIS   8          HB2       HIS   8   3.473   2.740  17.611
   48   2HB   HIS   8          HB1       HIS   8   2.069   2.700  16.553
   49    HD1  HIS   8           HD1      HIS   8   3.632   0.979  19.453
   50    HD2  HIS   8           HD2      HIS   8   0.422   0.336  16.872
   51    HE1  HIS   8           HE1      HIS   8   2.220  -0.840  20.506
   52    H    PHE   9           HN       PHE   9   2.314   0.204  14.172
   53    HA   PHE   9           HA       PHE   9   1.877  -2.292  15.379
   54   1HB   PHE   9          HB2       PHE   9   2.246  -1.369  12.524
   55   2HB   PHE   9          HB1       PHE   9   1.798  -3.031  12.899
   56    HD1  PHE   9           HD1      PHE   9   0.477  -1.107  15.502
   57    HD2  PHE   9           HD2      PHE   9  -0.163  -1.960  11.343
   58    HE1  PHE   9           HE1      PHE   9  -1.896  -0.425  15.722
   59    HE2  PHE   9           HE2      PHE   9  -2.535  -1.279  11.563
   60    HZ   PHE   9           HZ       PHE   9  -3.401  -0.509  13.756
   61    H    GLN  10           HN       GLN  10   2.931  -4.377  14.103
   62    HA   GLN  10           HA       GLN  10   5.821  -4.257  14.799
   63   1HB   GLN  10          HB2       GLN  10   3.752  -6.023  15.309
   64   2HB   GLN  10          HB1       GLN  10   4.622  -6.819  13.996
   65   1HG   GLN  10          HG2       GLN  10   6.720  -6.658  15.240
   66   2HG   GLN  10          HG1       GLN  10   5.912  -5.769  16.533
   67   1HE2  GLN  10          HE21      GLN  10   5.698  -7.181  18.276
   68   2HE2  GLN  10          HE22      GLN  10   5.165  -8.789  18.165
   69    H    SER  11           HN       SER  11   4.021  -6.079  12.292
   70    HA   SER  11           HA       SER  11   6.163  -5.286  10.342
   71   1HB   SER  11          HB2       SER  11   5.754  -7.524   9.356
   72   2HB   SER  11          HB1       SER  11   6.213  -7.643  11.051
   73    HG   SER  11           HG       SER  11   4.032  -8.560   9.889
   74    H    CYS  12           HN       CYS  12   4.592  -6.672   8.210
   75    HA   CYS  12           HA       CYS  12   2.877  -4.403   7.505
   76   1HB   CYS  12          HB2       CYS  12   2.913  -5.380   5.338
   77   2HB   CYS  12          HB1       CYS  12   4.500  -5.741   6.012
   78    H    SER  13           HN       SER  13   2.465  -7.448   9.029
   79    HA   SER  13           HA       SER  13  -0.046  -8.359   8.197
   80   1HB   SER  13          HB2       SER  13   1.631  -8.413  10.622
   81   2HB   SER  13          HB1       SER  13  -0.079  -8.707  10.924
   82    HG   SER  13           HG       SER  13   1.633 -10.068   9.111
   83    H    GLN  14           HN       GLN  14   0.459  -6.166  10.996
   84    HA   GLN  14           HA       GLN  14  -2.370  -5.377  10.966
   85   1HB   GLN  14          HB2       GLN  14  -0.691  -5.711  12.942
   86   2HB   GLN  14          HB1       GLN  14  -0.140  -4.086  12.533
   87   1HG   GLN  14          HG2       GLN  14  -1.818  -3.379  13.886
   88   2HG   GLN  14          HG1       GLN  14  -2.878  -3.779  12.534
   89   1HE2  GLN  14          HE21      GLN  14  -1.115  -5.942  14.814
   90   2HE2  GLN  14          HE22      GLN  14  -2.505  -6.753  15.353
   91    H    CYS  15           HN       CYS  15   0.733  -4.046   9.949
   92    HA   CYS  15           HA       CYS  15   0.041  -1.323   9.592
   93   1HB   CYS  15          HB2       CYS  15   2.055  -3.256   8.715
   94   2HB   CYS  15          HB1       CYS  15   1.760  -2.006   7.505
   95    H    LEU  16           HN       LEU  16  -0.793  -4.156   7.691
   96    HA   LEU  16           HA       LEU  16  -2.090  -2.393   5.644
   97   1HB   LEU  16          HB2       LEU  16  -0.855  -5.134   5.666
   98   2HB   LEU  16          HB1       LEU  16  -2.059  -4.737   4.437
   99    HG   LEU  16           HG       LEU  16  -0.676  -2.643   3.956
  100   1HD1  LEU  16          HD11      LEU  16   1.840  -3.234   4.604
  101   2HD1  LEU  16          HD12      LEU  16   1.049  -4.065   5.943
  102   3HD1  LEU  16          HD13      LEU  16   0.800  -2.334   5.709
  103   1HD2  LEU  16          HD21      LEU  16   1.143  -4.875   3.340
  104   2HD2  LEU  16          HD22      LEU  16   0.264  -3.807   2.245
  105   3HD2  LEU  16          HD23      LEU  16  -0.545  -5.208   2.950
  106    H    SER  17           HN       SER  17  -2.694  -4.607   8.222
  107    HA   SER  17           HA       SER  17  -5.321  -5.502   7.272
  108   1HB   SER  17          HB2       SER  17  -3.806  -6.829   8.738
  109   2HB   SER  17          HB1       SER  17  -3.996  -5.614   9.999
  110    HG   SER  17           HG       SER  17  -6.217  -6.878   8.794
  111    H    ALA  18           HN       ALA  18  -4.115  -2.670   8.771
  112    HA   ALA  18           HA       ALA  18  -6.911  -1.848   9.425
  113   1HB   ALA  18          HB1       ALA  18  -4.482  -1.970  11.206
  114   2HB   ALA  18          HB2       ALA  18  -6.106  -2.583  11.518
  115   3HB   ALA  18          HB3       ALA  18  -5.797  -0.847  11.553
  116    HA   PRO  19           HA       PRO  19  -4.227   1.373   7.357
  117   1HB   PRO  19          HB2       PRO  19  -5.586   1.515   4.981
  118   2HB   PRO  19          HB1       PRO  19  -4.195   0.452   5.262
  119   1HG   PRO  19          HG2       PRO  19  -7.080  -0.198   5.175
  120   2HG   PRO  19          HG1       PRO  19  -5.686  -1.169   4.697
  121   1HD   PRO  19          HD2       PRO  19  -7.095  -1.497   7.053
  122   2HD   PRO  19          HD1       PRO  19  -5.435  -2.060   6.770
  123    HA   PRO  20           HA       PRO  20  -8.379   3.758   7.192
  124   1HB   PRO  20          HB2       PRO  20 -10.527   2.624   8.439
  125   2HB   PRO  20          HB1       PRO  20 -10.186   2.391   6.714
  126   1HG   PRO  20          HG2       PRO  20  -9.725   0.560   8.998
  127   2HG   PRO  20          HG1       PRO  20 -10.177   0.194   7.328
  128   1HD   PRO  20          HD2       PRO  20  -7.642  -0.081   8.373
  129   2HD   PRO  20          HD1       PRO  20  -8.022   0.081   6.649
  130    H    PHE  21           HN       PHE  21  -7.737   1.634   9.949
  131    HA   PHE  21           HA       PHE  21  -8.483   3.689  11.926
  132   1HB   PHE  21          HB2       PHE  21  -6.996   1.103  12.414
  133   2HB   PHE  21          HB1       PHE  21  -8.126   1.933  13.484
  134    HD1  PHE  21           HD1      PHE  21  -7.822  -0.860  11.493
  135    HD2  PHE  21           HD2      PHE  21 -10.509   2.423  12.163
  136    HE1  PHE  21           HE1      PHE  21  -9.687  -2.195  10.552
  137    HE2  PHE  21           HE2      PHE  21 -12.375   1.087  11.221
  138    HZ   PHE  21           HZ       PHE  21 -11.964  -1.222  10.416
  139    H    VAL  22           HN       VAL  22  -5.883   3.366   9.927
  140    HA   VAL  22           HA       VAL  22  -4.053   4.629  11.935
  141    HB   VAL  22           HB       VAL  22  -2.260   3.257  11.115
  142   1HG1  VAL  22          HG11      VAL  22  -3.271   0.914  11.354
  143   2HG1  VAL  22          HG12      VAL  22  -4.831   1.717  11.520
  144   3HG1  VAL  22          HG13      VAL  22  -3.554   2.026  12.694
  145   1HG2  VAL  22          HG21      VAL  22  -4.122   2.901   8.833
  146   2HG2  VAL  22          HG22      VAL  22  -3.165   1.483   9.265
  147   3HG2  VAL  22          HG23      VAL  22  -2.362   2.995   8.843
  148    H    GLN  23           HN       GLN  23  -1.940   5.150  10.162
  149    HA   GLN  23           HA       GLN  23  -3.181   6.757   7.959
  150   1HB   GLN  23          HB2       GLN  23  -2.944   8.318   9.723
  151   2HB   GLN  23          HB1       GLN  23  -1.418   7.613  10.254
  152   1HG   GLN  23          HG2       GLN  23  -0.207   8.583   8.495
  153   2HG   GLN  23          HG1       GLN  23  -1.649   8.818   7.505
  154   1HE2  GLN  23          HE21      GLN  23  -1.821   9.635  10.911
  155   2HE2  GLN  23          HE22      GLN  23  -1.807  11.321  10.706
  156    H    CYS  24           HN       CYS  24  -0.080   5.702   9.414
  157    HA   CYS  24           HA       CYS  24   1.519   6.104   7.072
  158   1HB   CYS  24          HB2       CYS  24   3.183   5.035   8.367
  159   2HB   CYS  24          HB1       CYS  24   2.100   5.703   9.582
  160    H    GLY  25           HN       GLY  25   2.672   4.113   6.034
  161   1HA   GLY  25          HA2       GLY  25   0.918   1.770   5.650
  162   2HA   GLY  25          HA1       GLY  25   1.188   2.778   4.225
  163    H    TRP  26           HN       TRP  26   2.114   0.396   3.752
  164    HA   TRP  26           HA       TRP  26   4.888   0.051   4.737
  165   1HB   TRP  26          HB2       TRP  26   3.045  -1.731   4.330
  166   2HB   TRP  26          HB1       TRP  26   3.418  -1.532   2.621
  167    HD1  TRP  26           HD1      TRP  26   5.523  -2.696   1.701
  168    HE1  TRP  26           HE1      TRP  26   7.360  -4.180   2.738
  169    HE3  TRP  26           HE3      TRP  26   4.463  -2.076   6.652
  170    HZ2  TRP  26           HZ2      TRP  26   8.262  -4.992   5.327
  171    HZ3  TRP  26           HZ3      TRP  26   5.820  -3.217   8.386
  172    HH2  TRP  26           HH2      TRP  26   7.716  -4.674   7.730
  173    H    CYS  27           HN       CYS  27   6.708   0.580   3.484
  174    HA   CYS  27           HA       CYS  27   6.246   1.306   0.621
  175   1HB   CYS  27          HB2       CYS  27   6.057   3.380   1.768
  176   2HB   CYS  27          HB1       CYS  27   7.388   2.988   2.855
  177    H    HIS  28           HN       HIS  28   7.479  -0.402  -0.156
  178    HA   HIS  28           HA       HIS  28   9.419  -1.527  -0.834
  179   1HB   HIS  28          HB2       HIS  28   9.881   1.029  -1.062
  180   2HB   HIS  28          HB1       HIS  28  10.972   0.777   0.300
  181    HD1  HIS  28           HD1      HIS  28  10.753   0.398  -3.331
  182    HD2  HIS  28           HD2      HIS  28  13.002  -1.320  -0.272
  183    HE1  HIS  28           HE1      HIS  28  12.719  -0.746  -4.444
  184    H    ASP  29           HN       ASP  29   8.938  -0.966   2.521
  185    HA   ASP  29           HA       ASP  29  10.357  -3.261   3.342
  186   1HB   ASP  29          HB2       ASP  29  12.423  -2.429   2.712
  187   2HB   ASP  29          HB1       ASP  29  11.966  -0.756   3.019
  188    H    LYS  30           HN       LYS  30  10.426   0.087   4.662
  189    HA   LYS  30           HA       LYS  30   9.429  -0.979   7.240
  190   1HB   LYS  30          HB2       LYS  30  11.309   0.860   6.536
  191   2HB   LYS  30          HB1       LYS  30   9.928   1.916   6.838
  192   1HG   LYS  30          HG2       LYS  30   9.653   1.028   9.072
  193   2HG   LYS  30          HG1       LYS  30  10.876  -0.209   8.779
  194   1HD   LYS  30          HD2       LYS  30  12.532   1.209   9.336
  195   2HD   LYS  30          HD1       LYS  30  11.945   2.416   8.191
  196   1HE   LYS  30          HE2       LYS  30  11.050   3.654   9.865
  197   2HE   LYS  30          HE1       LYS  30  10.200   2.241  10.523
  198   1HZ   LYS  30          HZ1       LYS  30  12.558   1.521  11.235
  199   2HZ   LYS  30          HZ2       LYS  30  11.746   2.689  12.164
  200   3HZ   LYS  30          HZ3       LYS  30  12.950   3.162  11.062
  201    H    CYS  31           HN       CYS  31   7.667   0.225   8.362
  202    HA   CYS  31           HA       CYS  31   5.436   0.772   6.497
  203   1HB   CYS  31          HB2       CYS  31   5.556  -0.653   8.738
  204   2HB   CYS  31          HB1       CYS  31   5.266   0.916   9.490
  205    H    VAL  32           HN       VAL  32   5.597   2.853   5.711
  206    HA   VAL  32           HA       VAL  32   5.479   5.071   7.686
  207    HB   VAL  32           HB       VAL  32   7.292   6.240   6.513
  208   1HG1  VAL  32          HG11      VAL  32   8.061   3.374   7.153
  209   2HG1  VAL  32          HG12      VAL  32   7.876   4.663   8.343
  210   3HG1  VAL  32          HG13      VAL  32   9.151   4.761   7.129
  211   1HG2  VAL  32          HG21      VAL  32   6.642   4.382   4.454
  212   2HG2  VAL  32          HG22      VAL  32   8.318   4.083   4.915
  213   3HG2  VAL  32          HG23      VAL  32   7.820   5.692   4.393
  214    H    ARG  33           HN       ARG  33   5.066   7.198   6.340
  215    HA   ARG  33           HA       ARG  33   3.080   6.508   4.207
  216   1HB   ARG  33          HB2       ARG  33   2.582   7.692   6.512
  217   2HB   ARG  33          HB1       ARG  33   3.206   9.117   5.684
  218   1HG   ARG  33          HG2       ARG  33   1.534   8.173   3.774
  219   2HG   ARG  33          HG1       ARG  33   0.692   7.613   5.217
  220   1HD   ARG  33          HD2       ARG  33  -0.117   9.708   5.504
  221   2HD   ARG  33          HD1       ARG  33   1.545  10.287   5.733
  222    HE   ARG  33           HE       ARG  33   1.586  10.967   3.454
  223   1HH1  ARG  33          HH11      ARG  33  -1.231  11.726   3.625
  224   2HH1  ARG  33          HH12      ARG  33  -1.978  10.804   2.362
  225   1HH2  ARG  33          HH21      ARG  33   0.669   8.586   2.054
  226   2HH2  ARG  33          HH22      ARG  33  -0.902   9.028   1.474
  227    H    SER  34           HN       SER  34   2.859   8.235   2.501
  228    HA   SER  34           HA       SER  34   5.022   8.649   0.885
  229   1HB   SER  34          HB2       SER  34   3.772  10.841   0.268
  230   2HB   SER  34          HB1       SER  34   2.878   9.329   0.155
  231    HG   SER  34           HG       SER  34   2.426  11.472   1.715
  232    H    GLU  35           HN       GLU  35   4.358  10.413   3.861
  233    HA   GLU  35           HA       GLU  35   6.077  12.647   3.533
  234   1HB   GLU  35          HB2       GLU  35   4.544  11.331   5.551
  235   2HB   GLU  35          HB1       GLU  35   6.143  11.657   6.224
  236   1HG   GLU  35          HG2       GLU  35   5.769  14.022   5.075
  237   2HG   GLU  35          HG1       GLU  35   4.070  13.582   5.243
  238    H    GLU  36           HN       GLU  36   6.804   9.309   4.554
  239    HA   GLU  36           HA       GLU  36   9.712  10.053   4.576
  240   1HB   GLU  36          HB2       GLU  36   7.980   8.770   6.464
  241   2HB   GLU  36          HB1       GLU  36   9.189   7.598   5.936
  242   1HG   GLU  36          HG2       GLU  36  10.974   8.885   6.716
  243   2HG   GLU  36          HG1       GLU  36  10.050  10.386   6.647
  244    H    CYS  37           HN       CYS  37   7.332   8.229   2.941
  245    HA   CYS  37           HA       CYS  37   8.925   5.938   2.164
  246   1HB   CYS  37          HB2       CYS  37   6.474   5.993   2.091
  247   2HB   CYS  37          HB1       CYS  37   6.519   7.316   0.926
  248    H    LEU  38           HN       LEU  38  10.964   6.876   1.477
  249    HA   LEU  38           HA       LEU  38  11.056   8.835  -0.690
  250   1HB   LEU  38          HB2       LEU  38  12.805   7.523   1.224
  251   2HB   LEU  38          HB1       LEU  38  13.546   7.569  -0.376
  252    HG   LEU  38           HG       LEU  38  13.984   9.601   1.098
  253   1HD1  LEU  38          HD11      LEU  38  14.451   9.919  -1.182
  254   2HD1  LEU  38          HD12      LEU  38  13.291  11.203  -0.845
  255   3HD1  LEU  38          HD13      LEU  38  12.762   9.727  -1.652
  256   1HD2  LEU  38          HD21      LEU  38  12.248  10.761   1.955
  257   2HD2  LEU  38          HD22      LEU  38  11.186   9.475   1.381
  258   3HD2  LEU  38          HD23      LEU  38  11.486  10.890   0.371
  259    H    SER  39           HN       SER  39  10.214   5.641  -0.727
  260    HA   SER  39           HA       SER  39  11.821   4.614  -2.906
  261   1HB   SER  39          HB2       SER  39  10.593   2.734  -2.473
  262   2HB   SER  39          HB1       SER  39  10.045   3.635  -1.061
  263    HG   SER  39           HG       SER  39   8.332   2.786  -2.394
  264    H    GLY  40           HN       GLY  40   9.053   6.713  -2.704
  265   1HA   GLY  40          HA2       GLY  40   8.452   8.117  -4.609
  266   2HA   GLY  40          HA1       GLY  40   8.981   6.820  -5.681
  267    H    THR  41           HN       THR  41   7.521   4.913  -3.715
  268    HA   THR  41           HA       THR  41   4.719   5.558  -4.539
  269    HB   THR  41           HB       THR  41   5.873   4.056  -6.179
  270    HG1  THR  41           HG1      THR  41   4.062   2.409  -4.858
  271   1HG2  THR  41          HG21      THR  41   5.888   1.994  -3.978
  272   2HG2  THR  41          HG22      THR  41   7.295   3.005  -4.307
  273   3HG2  THR  41          HG23      THR  41   6.678   1.920  -5.553
  274    H    TRP  42           HN       TRP  42   3.604   5.618  -2.646
  275    HA   TRP  42           HA       TRP  42   4.449   3.999  -0.316
  276   1HB   TRP  42          HB2       TRP  42   3.847   6.351  -0.047
  277   2HB   TRP  42          HB1       TRP  42   2.293   6.076  -0.834
  278    HD1  TRP  42           HD1      TRP  42   4.221   5.077   2.346
  279    HE1  TRP  42           HE1      TRP  42   2.504   4.533   4.186
  280    HE3  TRP  42           HE3      TRP  42  -0.102   5.477  -0.337
  281    HZ2  TRP  42           HZ2      TRP  42  -0.335   4.292   4.484
  282    HZ3  TRP  42           HZ3      TRP  42  -2.295   5.088   0.745
  283    HH2  TRP  42           HH2      TRP  42  -2.420   4.495   3.150
  284    H    THR  43           HN       THR  43   3.493   1.999   0.095
  285    HA   THR  43           HA       THR  43   0.851   1.471  -1.232
  286    HB   THR  43           HB       THR  43   2.845   0.313  -2.206
  287    HG1  THR  43           HG1      THR  43   1.626  -1.370  -2.529
  288   1HG2  THR  43          HG21      THR  43   3.105  -0.542   0.646
  289   2HG2  THR  43          HG22      THR  43   4.363  -0.139  -0.523
  290   3HG2  THR  43          HG23      THR  43   3.545  -1.699  -0.609
  291    H    GLN  44           HN       GLN  44  -0.432  -0.248  -0.121
  292    HA   GLN  44           HA       GLN  44   0.149  -0.586   2.778
  293   1HB   GLN  44          HB2       GLN  44  -2.244   0.173   3.207
  294   2HB   GLN  44          HB1       GLN  44  -1.143   1.447   2.684
  295   1HG   GLN  44          HG2       GLN  44  -1.960   0.812   0.278
  296   2HG   GLN  44          HG1       GLN  44  -3.323   0.081   1.126
  297   1HE2  GLN  44          HE21      GLN  44  -3.690   1.902   3.248
  298   2HE2  GLN  44          HE22      GLN  44  -4.120   3.420   2.621
  299    H    GLN  45           HN       GLN  45  -0.116  -2.248   0.208
  300    HA   GLN  45           HA       GLN  45  -1.696  -4.425   1.422
  301   1HB   GLN  45          HB2       GLN  45  -3.081  -4.560  -0.715
  302   2HB   GLN  45          HB1       GLN  45  -3.427  -3.167   0.311
  303   1HG   GLN  45          HG2       GLN  45  -2.637  -1.688  -1.223
  304   2HG   GLN  45          HG1       GLN  45  -1.264  -2.713  -1.638
  305   1HE2  GLN  45          HE21      GLN  45  -4.531  -1.839  -2.547
  306   2HE2  GLN  45          HE22      GLN  45  -4.629  -2.844  -3.911
  307    H    ILE  46           HN       ILE  46   0.036  -5.864   1.288
  308    HA   ILE  46           HA       ILE  46   0.888  -6.682  -1.434
  309    HB   ILE  46           HB       ILE  46   2.468  -4.941  -0.810
  310   1HG1  ILE  46          HG12      ILE  46   4.197  -7.194  -0.082
  311   2HG1  ILE  46          HG11      ILE  46   3.159  -7.546  -1.464
  312   1HG2  ILE  46          HG21      ILE  46   1.987  -5.116   1.660
  313   2HG2  ILE  46          HG22      ILE  46   3.702  -4.989   1.271
  314   3HG2  ILE  46          HG23      ILE  46   3.008  -6.553   1.699
  315   1HD1  ILE  46          HD11      ILE  46   4.075  -5.840  -2.762
  316   2HD1  ILE  46          HD12      ILE  46   5.486  -6.375  -1.847
  317   3HD1  ILE  46          HD13      ILE  46   4.614  -4.923  -1.355
  318    H    CYS  47           HN       CYS  47   1.020  -7.216   2.077
  319    HA   CYS  47           HA       CYS  47   2.025  -9.940   1.876
  320   1HB   CYS  47          HB2       CYS  47   0.552  -8.520   4.122
  321   2HB   CYS  47          HB1       CYS  47   1.608  -9.924   4.282
  322    H    LEU  48           HN       LEU  48   0.825 -11.784   1.564
  323    HA   LEU  48           HA       LEU  48  -1.866 -11.772   0.682
  324   1HB   LEU  48          HB2       LEU  48   0.263 -13.575   1.084
  325   2HB   LEU  48          HB1       LEU  48  -1.096 -14.246   1.986
  326    HG   LEU  48           HG       LEU  48  -2.499 -13.798  -0.121
  327   1HD1  LEU  48          HD11      LEU  48   0.312 -13.437  -1.183
  328   2HD1  LEU  48          HD12      LEU  48  -1.047 -12.322  -1.328
  329   3HD1  LEU  48          HD13      LEU  48  -1.054 -13.844  -2.222
  330   1HD2  LEU  48          HD21      LEU  48  -0.266 -15.840  -0.011
  331   2HD2  LEU  48          HD22      LEU  48  -1.513 -15.870  -1.258
  332   3HD2  LEU  48          HD23      LEU  48  -1.957 -16.062   0.438
  Start of MODEL    7
    1   1H    GLY   1           HT1      GLY   1  -6.657  13.809   9.271
    2   2H    GLY   1           HT2      GLY   1  -5.207  13.961   8.399
    3   3H    GLY   1           HT3      GLY   1  -5.199  14.087  10.093
    4   1HA   GLY   1          HA2       GLY   1  -6.277  11.617   8.992
    5   2HA   GLY   1          HA1       GLY   1  -4.538  11.864   8.825
    6    H    SER   2           HN       SER   2  -3.736  10.515  10.410
    7    HA   SER   2           HA       SER   2  -4.780  10.925  13.192
    8   1HB   SER   2          HB2       SER   2  -5.232   8.701  12.491
    9   2HB   SER   2          HB1       SER   2  -3.676   8.554  11.679
   10    HG   SER   2           HG       SER   2  -4.323   8.400  14.398
   11    H    ALA   3           HN       ALA   3  -1.967   9.031  13.030
   12    HA   ALA   3           HA       ALA   3   0.144  10.902  12.824
   13   1HB   ALA   3          HB1       ALA   3  -1.559  11.113  15.191
   14   2HB   ALA   3          HB2       ALA   3  -0.321  12.227  14.606
   15   3HB   ALA   3          HB3       ALA   3   0.132  10.855  15.619
   16    H    MET   4           HN       MET   4  -0.763   8.631  15.442
   17    HA   MET   4           HA       MET   4   1.583   6.933  14.652
   18   1HB   MET   4          HB2       MET   4   1.634   6.402  17.126
   19   2HB   MET   4          HB1       MET   4   1.975   8.091  16.746
   20   1HG   MET   4          HG2       MET   4  -0.161   8.807  17.444
   21   2HG   MET   4          HG1       MET   4  -0.835   7.179  17.350
   22   1HE   MET   4          HE1       MET   4   0.066   9.852  19.502
   23   2HE   MET   4          HE2       MET   4   1.757   9.486  19.170
   24   3HE   MET   4          HE3       MET   4   1.122   9.275  20.799
   25    H    GLY   5           HN       GLY   5  -0.567   6.203  13.301
   26   1HA   GLY   5          HA2       GLY   5  -2.246   4.361  14.890
   27   2HA   GLY   5          HA1       GLY   5  -2.458   4.737  13.180
   28    H    CYS   6           HN       CYS   6  -0.858   3.782  11.669
   29    HA   CYS   6           HA       CYS   6  -0.212   1.018  12.487
   30   1HB   CYS   6          HB2       CYS   6   0.373   0.846  10.023
   31   2HB   CYS   6          HB1       CYS   6  -1.287   1.336  10.351
   32    H    ARG   7           HN       ARG   7   1.397   4.046  12.198
   33    HA   ARG   7           HA       ARG   7   4.058   3.161  11.576
   34   1HB   ARG   7          HB2       ARG   7   2.853   5.522  11.771
   35   2HB   ARG   7          HB1       ARG   7   3.469   5.454  13.421
   36   1HG   ARG   7          HG2       ARG   7   5.358   6.331  12.506
   37   2HG   ARG   7          HG1       ARG   7   5.671   4.667  12.010
   38   1HD   ARG   7          HD2       ARG   7   5.776   5.580   9.906
   39   2HD   ARG   7          HD1       ARG   7   4.005   5.527   9.998
   40    HE   ARG   7           HE       ARG   7   5.269   7.899  11.211
   41   1HH1  ARG   7          HH21      ARG   7   2.441   7.926  10.352
   42   2HH1  ARG   7          HH22      ARG   7   2.507   8.758   8.833
   43   1HH2  ARG   7          HH11      ARG   7   5.927   8.333   8.450
   44   2HH2  ARG   7          HH12      ARG   7   4.481   8.987   7.756
   45    H    HIS   8           HN       HIS   8   2.075   2.648  14.297
   46    HA   HIS   8           HA       HIS   8   4.393   2.227  16.130
   47   1HB   HIS   8          HB2       HIS   8   2.896   3.362  17.422
   48   2HB   HIS   8          HB1       HIS   8   1.571   3.034  16.311
   49    HD1  HIS   8           HD1      HIS   8   3.410   1.504  19.244
   50    HD2  HIS   8           HD2      HIS   8  -0.082   0.883  17.049
   51    HE1  HIS   8           HE1      HIS   8   2.081  -0.253  20.494
   52    H    PHE   9           HN       PHE   9   2.096   0.566  14.162
   53    HA   PHE   9           HA       PHE   9   1.699  -1.895  15.458
   54   1HB   PHE   9          HB2       PHE   9   2.131  -1.095  12.570
   55   2HB   PHE   9          HB1       PHE   9   1.640  -2.723  13.027
   56    HD1  PHE   9           HD1      PHE   9  -0.252  -1.659  11.355
   57    HD2  PHE   9           HD2      PHE   9   0.293  -0.681  15.498
   58    HE1  PHE   9           HE1      PHE   9  -2.609  -0.912  11.484
   59    HE2  PHE   9           HE2      PHE   9  -2.065   0.068  15.630
   60    HZ   PHE   9           HZ       PHE   9  -3.518  -0.046  13.624
   61    H    GLN  10           HN       GLN  10   2.869  -3.944  14.088
   62    HA   GLN  10           HA       GLN  10   5.789  -3.608  14.699
   63   1HB   GLN  10          HB2       GLN  10   3.716  -5.641  15.285
   64   2HB   GLN  10          HB1       GLN  10   5.281  -6.292  14.799
   65   1HG   GLN  10          HG2       GLN  10   5.801  -4.164  16.608
   66   2HG   GLN  10          HG1       GLN  10   4.528  -5.152  17.328
   67   1HE2  GLN  10          HE21      GLN  10   7.445  -5.932  15.335
   68   2HE2  GLN  10          HE22      GLN  10   8.032  -7.113  16.403
   69    H    SER  11           HN       SER  11   3.914  -6.072  12.917
   70    HA   SER  11           HA       SER  11   5.877  -5.836  10.678
   71   1HB   SER  11          HB2       SER  11   3.818  -7.958  11.372
   72   2HB   SER  11          HB1       SER  11   5.057  -8.092  10.128
   73    HG   SER  11           HG       SER  11   6.576  -7.685  11.917
   74    H    CYS  12           HN       CYS  12   4.600  -6.577   8.490
   75    HA   CYS  12           HA       CYS  12   2.825  -4.393   7.846
   76   1HB   CYS  12          HB2       CYS  12   2.824  -5.414   5.665
   77   2HB   CYS  12          HB1       CYS  12   4.431  -5.676   6.341
   78    H    SER  13           HN       SER  13   2.243  -7.244   9.538
   79    HA   SER  13           HA       SER  13  -0.239  -8.173   8.523
   80   1HB   SER  13          HB2       SER  13   1.447  -8.444  10.844
   81   2HB   SER  13          HB1       SER  13  -0.235  -8.338  11.357
   82    HG   SER  13           HG       SER  13  -0.549 -10.250  10.558
   83    H    GLN  14           HN       GLN  14   0.214  -5.975  11.337
   84    HA   GLN  14           HA       GLN  14  -2.589  -5.176  11.292
   85   1HB   GLN  14          HB2       GLN  14  -1.005  -5.340  13.284
   86   2HB   GLN  14          HB1       GLN  14  -0.248  -3.860  12.693
   87   1HG   GLN  14          HG2       GLN  14  -1.815  -2.776  13.918
   88   2HG   GLN  14          HG1       GLN  14  -2.931  -3.218  12.626
   89   1HE2  GLN  14          HE21      GLN  14  -2.034  -3.865  15.953
   90   2HE2  GLN  14          HE22      GLN  14  -3.255  -5.001  16.264
   91    H    CYS  15           HN       CYS  15   0.456  -3.821  10.097
   92    HA   CYS  15           HA       CYS  15  -0.331  -1.165   9.562
   93   1HB   CYS  15          HB2       CYS  15   1.628  -3.147   8.551
   94   2HB   CYS  15          HB1       CYS  15   1.312  -1.782   7.481
   95    H    LEU  16           HN       LEU  16  -1.076  -4.144   7.814
   96    HA   LEU  16           HA       LEU  16  -2.591  -2.536   5.794
   97   1HB   LEU  16          HB2       LEU  16  -1.158  -5.172   5.830
   98   2HB   LEU  16          HB1       LEU  16  -2.478  -4.942   4.681
   99    HG   LEU  16           HG       LEU  16  -1.341  -2.773   3.991
  100   1HD1  LEU  16          HD11      LEU  16   1.307  -3.349   4.610
  101   2HD1  LEU  16          HD12      LEU  16   0.448  -3.692   6.112
  102   3HD1  LEU  16          HD13      LEU  16   0.320  -2.098   5.367
  103   1HD2  LEU  16          HD21      LEU  16  -0.099  -3.876   2.362
  104   2HD2  LEU  16          HD22      LEU  16  -1.123  -5.192   2.935
  105   3HD2  LEU  16          HD23      LEU  16   0.540  -5.057   3.505
  106    H    SER  17           HN       SER  17  -2.925  -4.696   8.466
  107    HA   SER  17           HA       SER  17  -5.618  -5.638   7.695
  108   1HB   SER  17          HB2       SER  17  -3.893  -6.974   8.972
  109   2HB   SER  17          HB1       SER  17  -4.105  -5.858  10.318
  110    HG   SER  17           HG       SER  17  -5.968  -7.647   9.160
  111    H    ALA  18           HN       ALA  18  -4.314  -2.822   8.983
  112    HA   ALA  18           HA       ALA  18  -6.956  -2.016  10.100
  113   1HB   ALA  18          HB1       ALA  18  -4.990  -2.904  11.708
  114   2HB   ALA  18          HB2       ALA  18  -6.067  -1.594  12.193
  115   3HB   ALA  18          HB3       ALA  18  -4.466  -1.228  11.548
  116    HA   PRO  19           HA       PRO  19  -4.569   1.079   7.472
  117   1HB   PRO  19          HB2       PRO  19  -6.109   0.964   5.219
  118   2HB   PRO  19          HB1       PRO  19  -4.683  -0.055   5.486
  119   1HG   PRO  19          HG2       PRO  19  -7.557  -0.727   5.725
  120   2HG   PRO  19          HG1       PRO  19  -6.202  -1.726   5.189
  121   1HD   PRO  19          HD2       PRO  19  -7.367  -1.872   7.684
  122   2HD   PRO  19          HD1       PRO  19  -5.723  -2.421   7.295
  123    HA   PRO  20           HA       PRO  20  -8.851   3.267   7.283
  124   1HB   PRO  20          HB2       PRO  20 -10.750   2.353   9.026
  125   2HB   PRO  20          HB1       PRO  20 -10.630   1.808   7.340
  126   1HG   PRO  20          HG2       PRO  20  -9.727   0.467   9.832
  127   2HG   PRO  20          HG1       PRO  20 -10.441  -0.228   8.370
  128   1HD   PRO  20          HD2       PRO  20  -7.783  -0.304   8.955
  129   2HD   PRO  20          HD1       PRO  20  -8.428  -0.371   7.304
  130    H    PHE  21           HN       PHE  21  -7.607   1.879  10.287
  131    HA   PHE  21           HA       PHE  21  -8.138   4.447  11.718
  132   1HB   PHE  21          HB2       PHE  21  -7.035   1.841  12.796
  133   2HB   PHE  21          HB1       PHE  21  -7.813   3.137  13.703
  134    HD1  PHE  21           HD1      PHE  21  -8.416  -0.040  13.000
  135    HD2  PHE  21           HD2      PHE  21 -10.163   3.773  12.076
  136    HE1  PHE  21           HE1      PHE  21 -10.617  -1.130  12.669
  137    HE2  PHE  21           HE2      PHE  21 -12.366   2.683  11.744
  138    HZ   PHE  21           HZ       PHE  21 -12.592   0.230  12.040
  139    H    VAL  22           HN       VAL  22  -5.968   3.980   9.632
  140    HA   VAL  22           HA       VAL  22  -3.736   5.069  11.251
  141    HB   VAL  22           HB       VAL  22  -2.222   3.314  10.533
  142   1HG1  VAL  22          HG11      VAL  22  -4.793   1.988  11.425
  143   2HG1  VAL  22          HG12      VAL  22  -3.735   2.892  12.511
  144   3HG1  VAL  22          HG13      VAL  22  -3.147   1.431  11.722
  145   1HG2  VAL  22          HG21      VAL  22  -3.260   1.345   9.244
  146   2HG2  VAL  22          HG22      VAL  22  -2.959   2.821   8.327
  147   3HG2  VAL  22          HG23      VAL  22  -4.592   2.441   8.878
  148    H    GLN  23           HN       GLN  23  -1.894   5.759   9.722
  149    HA   GLN  23           HA       GLN  23  -3.020   6.510   7.039
  150   1HB   GLN  23          HB2       GLN  23  -2.967   8.438   8.460
  151   2HB   GLN  23          HB1       GLN  23  -1.349   8.041   9.043
  152   1HG   GLN  23          HG2       GLN  23  -0.418   9.174   7.336
  153   2HG   GLN  23          HG1       GLN  23  -1.304   8.190   6.172
  154   1HE2  GLN  23          HE21      GLN  23  -1.676  10.142   4.834
  155   2HE2  GLN  23          HE22      GLN  23  -2.840  11.289   5.296
  156    H    CYS  24           HN       CYS  24  -0.064   5.668   8.866
  157    HA   CYS  24           HA       CYS  24   1.733   5.869   6.637
  158   1HB   CYS  24          HB2       CYS  24   3.287   4.962   8.139
  159   2HB   CYS  24          HB1       CYS  24   2.087   5.637   9.235
  160    H    GLY  25           HN       GLY  25   2.700   4.047   5.445
  161   1HA   GLY  25          HA2       GLY  25   0.966   1.627   5.262
  162   2HA   GLY  25          HA1       GLY  25   1.315   2.550   3.800
  163    H    TRP  26           HN       TRP  26   2.189   0.145   3.443
  164    HA   TRP  26           HA       TRP  26   4.892  -0.256   4.579
  165   1HB   TRP  26          HB2       TRP  26   2.979  -1.973   4.008
  166   2HB   TRP  26          HB1       TRP  26   3.600  -1.844   2.364
  167    HD1  TRP  26           HD1      TRP  26   5.830  -3.026   1.803
  168    HE1  TRP  26           HE1      TRP  26   7.440  -4.536   3.136
  169    HE3  TRP  26           HE3      TRP  26   3.959  -2.376   6.506
  170    HZ2  TRP  26           HZ2      TRP  26   7.883  -5.350   5.841
  171    HZ3  TRP  26           HZ3      TRP  26   4.987  -3.530   8.443
  172    HH2  TRP  26           HH2      TRP  26   6.944  -5.020   8.117
  173    H    CYS  27           HN       CYS  27   6.796   0.101   3.383
  174    HA   CYS  27           HA       CYS  27   6.451   1.119   0.582
  175   1HB   CYS  27          HB2       CYS  27   7.044   2.533   2.935
  176   2HB   CYS  27          HB1       CYS  27   8.575   2.414   2.072
  177    H    HIS  28           HN       HIS  28   7.375  -0.676  -0.431
  178    HA   HIS  28           HA       HIS  28   9.037  -2.253  -1.035
  179   1HB   HIS  28          HB2       HIS  28  10.005   0.516  -0.907
  180   2HB   HIS  28          HB1       HIS  28  11.297  -0.682  -0.934
  181    HD1  HIS  28           HD1      HIS  28   8.857   0.994  -3.094
  182    HD2  HIS  28           HD2      HIS  28  11.064  -2.539  -3.232
  183    HE1  HIS  28           HE1      HIS  28   8.785   0.198  -5.496
  184    H    ASP  29           HN       ASP  29   8.669  -1.873   2.095
  185    HA   ASP  29           HA       ASP  29  10.527  -3.815   2.920
  186   1HB   ASP  29          HB2       ASP  29  12.106  -2.094   4.147
  187   2HB   ASP  29          HB1       ASP  29  12.398  -2.527   2.464
  188    H    LYS  30           HN       LYS  30  10.458  -0.802   4.759
  189    HA   LYS  30           HA       LYS  30   9.052  -2.219   6.938
  190   1HB   LYS  30          HB2       LYS  30  11.172  -0.557   6.845
  191   2HB   LYS  30          HB1       LYS  30   9.899   0.629   7.128
  192   1HG   LYS  30          HG2       LYS  30   9.287  -0.328   9.182
  193   2HG   LYS  30          HG1       LYS  30  10.031  -1.877   8.788
  194   1HD   LYS  30          HD2       LYS  30  11.759  -1.137  10.066
  195   2HD   LYS  30          HD1       LYS  30  12.183  -0.181   8.646
  196   1HE   LYS  30          HE2       LYS  30  11.753   1.739   9.766
  197   2HE   LYS  30          HE1       LYS  30  10.122   1.172  10.173
  198   1HZ   LYS  30          HZ1       LYS  30  12.469   0.031  11.541
  199   2HZ   LYS  30          HZ2       LYS  30  10.859   0.120  12.075
  200   3HZ   LYS  30          HZ3       LYS  30  11.832   1.513  12.067
  201    H    CYS  31           HN       CYS  31   7.474  -0.723   8.224
  202    HA   CYS  31           HA       CYS  31   5.339   0.106   6.358
  203   1HB   CYS  31          HB2       CYS  31   5.119  -1.371   8.440
  204   2HB   CYS  31          HB1       CYS  31   5.362   0.097   9.386
  205    H    VAL  32           HN       VAL  32   5.729   2.166   5.575
  206    HA   VAL  32           HA       VAL  32   5.810   4.383   7.552
  207    HB   VAL  32           HB       VAL  32   7.798   5.321   6.522
  208   1HG1  VAL  32          HG11      VAL  32   9.439   3.623   7.107
  209   2HG1  VAL  32          HG12      VAL  32   8.231   2.349   6.937
  210   3HG1  VAL  32          HG13      VAL  32   8.094   3.527   8.244
  211   1HG2  VAL  32          HG21      VAL  32   8.895   4.274   4.627
  212   2HG2  VAL  32          HG22      VAL  32   7.201   4.524   4.206
  213   3HG2  VAL  32          HG23      VAL  32   7.766   2.919   4.669
  214    H    ARG  33           HN       ARG  33   5.702   6.545   6.201
  215    HA   ARG  33           HA       ARG  33   3.934   6.095   3.820
  216   1HB   ARG  33          HB2       ARG  33   3.160   7.024   6.254
  217   2HB   ARG  33          HB1       ARG  33   3.601   8.541   5.466
  218   1HG   ARG  33          HG2       ARG  33   2.224   7.396   3.452
  219   2HG   ARG  33          HG1       ARG  33   1.403   6.644   4.820
  220   1HD   ARG  33          HD2       ARG  33   0.603   8.685   5.637
  221   2HD   ARG  33          HD1       ARG  33   1.889   9.616   4.843
  222    HE   ARG  33           HE       ARG  33  -0.540   8.554   3.521
  223   1HH1  ARG  33          HH21      ARG  33   1.738   8.026   1.704
  224   2HH1  ARG  33          HH22      ARG  33   1.872   9.508   0.817
  225   1HH2  ARG  33          HH11      ARG  33  -0.022  11.339   3.071
  226   2HH2  ARG  33          HH12      ARG  33   0.876  11.382   1.590
  227    H    SER  34           HN       SER  34   3.777   8.292   2.549
  228    HA   SER  34           HA       SER  34   6.082   8.939   1.218
  229   1HB   SER  34          HB2       SER  34   3.493  10.067   1.662
  230   2HB   SER  34          HB1       SER  34   4.664  11.383   1.692
  231    HG   SER  34           HG       SER  34   5.364  10.781  -0.324
  232    H    GLU  35           HN       GLU  35   5.182  10.076   4.439
  233    HA   GLU  35           HA       GLU  35   7.050  12.190   4.764
  234   1HB   GLU  35          HB2       GLU  35   5.800  10.146   6.613
  235   2HB   GLU  35          HB1       GLU  35   6.826  11.447   7.221
  236   1HG   GLU  35          HG2       GLU  35   4.760  12.349   5.328
  237   2HG   GLU  35          HG1       GLU  35   4.112  11.655   6.814
  238    H    GLU  36           HN       GLU  36   7.413   8.677   5.248
  239    HA   GLU  36           HA       GLU  36  10.283   9.031   5.918
  240   1HB   GLU  36          HB2       GLU  36   8.140   7.146   6.422
  241   2HB   GLU  36          HB1       GLU  36   9.562   6.309   5.800
  242   1HG   GLU  36          HG2       GLU  36  10.272   8.350   7.760
  243   2HG   GLU  36          HG1       GLU  36   9.174   7.142   8.431
  244    H    CYS  37           HN       CYS  37   8.284   7.204   3.549
  245    HA   CYS  37           HA       CYS  37  10.732   6.972   1.841
  246   1HB   CYS  37          HB2       CYS  37   9.549   5.070   0.834
  247   2HB   CYS  37          HB1       CYS  37   9.584   4.895   2.587
  248    H    LEU  38           HN       LEU  38  10.281   9.307   1.228
  249    HA   LEU  38           HA       LEU  38   7.908   9.805  -0.444
  250   1HB   LEU  38          HB2       LEU  38   8.744  12.060  -0.448
  251   2HB   LEU  38          HB1       LEU  38   9.043  11.421   1.168
  252    HG   LEU  38           HG       LEU  38  11.297  10.692  -0.351
  253   1HD1  LEU  38          HD11      LEU  38  11.385  13.579  -0.644
  254   2HD1  LEU  38          HD12      LEU  38  10.073  12.889  -1.600
  255   3HD1  LEU  38          HD13      LEU  38  11.728  12.329  -1.840
  256   1HD2  LEU  38          HD21      LEU  38  10.635  12.011   2.056
  257   2HD2  LEU  38          HD22      LEU  38  11.710  13.108   1.188
  258   3HD2  LEU  38          HD23      LEU  38  12.232  11.462   1.549
  259    H    SER  39           HN       SER  39   9.989   7.763  -1.291
  260    HA   SER  39           HA       SER  39  11.498   8.881  -3.493
  261   1HB   SER  39          HB2       SER  39  11.548   6.593  -2.055
  262   2HB   SER  39          HB1       SER  39  10.663   6.023  -3.466
  263    HG   SER  39           HG       SER  39  13.280   6.981  -3.237
  264    H    GLY  40           HN       GLY  40   8.197   8.447  -3.097
  265   1HA   GLY  40          HA2       GLY  40   6.600   9.033  -4.808
  266   2HA   GLY  40          HA1       GLY  40   7.783   8.570  -6.032
  267    H    THR  41           HN       THR  41   7.487   6.377  -3.406
  268    HA   THR  41           HA       THR  41   5.571   4.669  -4.944
  269    HB   THR  41           HB       THR  41   7.904   4.123  -5.564
  270    HG1  THR  41           HG1      THR  41   6.101   2.494  -4.871
  271   1HG2  THR  41          HG21      THR  41   9.554   3.573  -3.992
  272   2HG2  THR  41          HG22      THR  41   8.371   3.256  -2.723
  273   3HG2  THR  41          HG23      THR  41   8.713   4.915  -3.216
  274    H    TRP  42           HN       TRP  42   3.946   4.355  -3.474
  275    HA   TRP  42           HA       TRP  42   4.704   3.499  -0.702
  276   1HB   TRP  42          HB2       TRP  42   3.978   5.882  -0.816
  277   2HB   TRP  42          HB1       TRP  42   2.459   5.364  -1.547
  278    HD1  TRP  42           HD1      TRP  42   4.490   4.765   1.686
  279    HE1  TRP  42           HE1      TRP  42   2.826   4.357   3.612
  280    HE3  TRP  42           HE3      TRP  42   0.097   4.879  -0.913
  281    HZ2  TRP  42           HZ2      TRP  42  -0.003   4.112   3.995
  282    HZ3  TRP  42           HZ3      TRP  42  -2.065   4.557   0.254
  283    HH2  TRP  42           HH2      TRP  42  -2.120   4.173   2.701
  284    H    THR  43           HN       THR  43   3.624   1.629  -0.078
  285    HA   THR  43           HA       THR  43   1.249   0.800  -1.720
  286    HB   THR  43           HB       THR  43   3.175  -0.438  -2.457
  287    HG1  THR  43           HG1      THR  43   2.614  -2.541  -1.165
  288   1HG2  THR  43          HG21      THR  43   4.636   0.102  -0.543
  289   2HG2  THR  43          HG22      THR  43   4.641  -1.632  -0.869
  290   3HG2  THR  43          HG23      THR  43   3.699  -0.990   0.478
  291    H    GLN  44           HN       GLN  44  -0.322  -0.469  -0.584
  292    HA   GLN  44           HA       GLN  44   0.038  -0.672   2.383
  293   1HB   GLN  44          HB2       GLN  44  -2.271   0.179   2.611
  294   2HB   GLN  44          HB1       GLN  44  -1.270   1.344   1.743
  295   1HG   GLN  44          HG2       GLN  44  -3.009   1.300   0.256
  296   2HG   GLN  44          HG1       GLN  44  -2.171  -0.132  -0.341
  297   1HE2  GLN  44          HE21      GLN  44  -4.462   0.613   2.362
  298   2HE2  GLN  44          HE22      GLN  44  -5.441  -0.747   2.094
  299    H    GLN  45           HN       GLN  45   0.022  -2.558  -0.077
  300    HA   GLN  45           HA       GLN  45  -1.661  -4.637   1.192
  301   1HB   GLN  45          HB2       GLN  45  -3.127  -3.340  -0.355
  302   2HB   GLN  45          HB1       GLN  45  -2.023  -3.715  -1.679
  303   1HG   GLN  45          HG2       GLN  45  -2.394  -6.161  -1.186
  304   2HG   GLN  45          HG1       GLN  45  -3.654  -5.680  -0.050
  305   1HE2  GLN  45          HE21      GLN  45  -2.734  -4.799  -3.437
  306   2HE2  GLN  45          HE22      GLN  45  -4.319  -4.879  -4.037
  307    H    ILE  46           HN       ILE  46   0.055  -6.079   1.433
  308    HA   ILE  46           HA       ILE  46   1.265  -7.141  -1.061
  309    HB   ILE  46           HB       ILE  46   2.836  -5.448  -0.483
  310   1HG1  ILE  46          HG12      ILE  46   4.306  -7.425   1.072
  311   2HG1  ILE  46          HG11      ILE  46   3.505  -8.158  -0.319
  312   1HG2  ILE  46          HG21      ILE  46   1.979  -4.872   1.720
  313   2HG2  ILE  46          HG22      ILE  46   3.702  -5.223   1.856
  314   3HG2  ILE  46          HG23      ILE  46   2.515  -6.421   2.370
  315   1HD1  ILE  46          HD11      ILE  46   4.785  -5.582  -0.923
  316   2HD1  ILE  46          HD12      ILE  46   4.869  -7.111  -1.798
  317   3HD1  ILE  46          HD13      ILE  46   5.919  -6.830  -0.409
  318    H    CYS  47           HN       CYS  47   0.917  -7.364   2.475
  319    HA   CYS  47           HA       CYS  47   1.260 -10.335   2.229
  320   1HB   CYS  47          HB2       CYS  47   2.064 -10.211   4.562
  321   2HB   CYS  47          HB1       CYS  47   3.014  -9.153   3.521
  322    H    LEU  48           HN       LEU  48  -0.436 -11.587   2.983
  323    HA   LEU  48           HA       LEU  48  -2.863 -10.143   3.925
  324   1HB   LEU  48          HB2       LEU  48  -2.202 -12.421   2.258
  325   2HB   LEU  48          HB1       LEU  48  -3.362 -12.886   3.503
  326    HG   LEU  48           HG       LEU  48  -4.664 -10.769   2.847
  327   1HD1  LEU  48          HD11      LEU  48  -3.683  -9.422   1.330
  328   2HD1  LEU  48          HD12      LEU  48  -3.859 -10.708   0.136
  329   3HD1  LEU  48          HD13      LEU  48  -2.381 -10.587   1.089
  330   1HD2  LEU  48          HD21      LEU  48  -5.387 -13.052   2.248
  331   2HD2  LEU  48          HD22      LEU  48  -4.347 -13.012   0.825
  332   3HD2  LEU  48          HD23      LEU  48  -5.731 -11.925   0.936
  Start of MODEL    8
    1   1H    GLY   1           HT1      GLY   1  -6.074   9.722   8.353
    2   2H    GLY   1           HT2      GLY   1  -7.625  10.166   7.820
    3   3H    GLY   1           HT3      GLY   1  -7.314   8.567   8.302
    4   1HA   GLY   1          HA2       GLY   1  -8.321  10.586   9.869
    5   2HA   GLY   1          HA1       GLY   1  -7.737   9.015  10.420
    6    H    SER   2           HN       SER   2  -5.666   8.877  11.356
    7    HA   SER   2           HA       SER   2  -4.043  11.371  11.519
    8   1HB   SER   2          HB2       SER   2  -4.501   9.901  14.057
    9   2HB   SER   2          HB1       SER   2  -4.388  11.636  13.771
   10    HG   SER   2           HG       SER   2  -6.486  11.544  12.884
   11    H    ALA   3           HN       ALA   3  -1.826  10.940  11.924
   12    HA   ALA   3           HA       ALA   3  -0.790   8.403  11.114
   13   1HB   ALA   3          HB1       ALA   3   0.713  10.357  12.837
   14   2HB   ALA   3          HB2       ALA   3   0.196  10.839  11.221
   15   3HB   ALA   3          HB3       ALA   3   1.278   9.462  11.427
   16    H    MET   4           HN       MET   4   1.266   8.086  13.162
   17    HA   MET   4           HA       MET   4   1.600   6.746  15.083
   18   1HB   MET   4          HB2       MET   4  -0.683   8.605  15.771
   19   2HB   MET   4          HB1       MET   4   0.008   7.508  16.968
   20   1HG   MET   4          HG2       MET   4   1.924   8.720  17.157
   21   2HG   MET   4          HG1       MET   4   1.995   9.054  15.427
   22   1HE   MET   4          HE1       MET   4   1.754  12.616  15.638
   23   2HE   MET   4          HE2       MET   4   1.284  11.459  14.396
   24   3HE   MET   4          HE3       MET   4   2.710  11.149  15.386
   25    H    GLY   5           HN       GLY   5  -0.020   5.546  12.996
   26   1HA   GLY   5          HA2       GLY   5  -1.839   3.868  14.682
   27   2HA   GLY   5          HA1       GLY   5  -2.246   4.307  13.022
   28    H    CYS   6           HN       CYS   6  -0.644   3.576  11.336
   29    HA   CYS   6           HA       CYS   6   0.173   0.787  11.921
   30   1HB   CYS   6          HB2       CYS   6   0.502   0.766   9.416
   31   2HB   CYS   6          HB1       CYS   6  -1.133   1.184   9.921
   32    H    ARG   7           HN       ARG   7   1.569   3.913  11.684
   33    HA   ARG   7           HA       ARG   7   4.196   3.236  10.730
   34   1HB   ARG   7          HB2       ARG   7   2.961   5.505  11.046
   35   2HB   ARG   7          HB1       ARG   7   3.544   5.419  12.708
   36   1HG   ARG   7          HG2       ARG   7   5.212   6.645  11.532
   37   2HG   ARG   7          HG1       ARG   7   5.873   5.019  11.707
   38   1HD   ARG   7          HD2       ARG   7   5.999   4.792   9.458
   39   2HD   ARG   7          HD1       ARG   7   4.275   5.180   9.293
   40    HE   ARG   7           HE       ARG   7   6.473   7.059   8.948
   41   1HH1  ARG   7          HH11      ARG   7   3.835   7.199   7.515
   42   2HH1  ARG   7          HH12      ARG   7   3.100   8.583   8.252
   43   1HH2  ARG   7          HH21      ARG   7   5.259   8.612  10.967
   44   2HH2  ARG   7          HH22      ARG   7   3.906   9.383  10.208
   45    H    HIS   8           HN       HIS   8   2.600   2.571  13.717
   46    HA   HIS   8           HA       HIS   8   5.242   2.039  15.030
   47   1HB   HIS   8          HB2       HIS   8   4.299   2.779  17.010
   48   2HB   HIS   8          HB1       HIS   8   3.333   3.714  15.874
   49    HD1  HIS   8           HD1      HIS   8   2.520   2.464  18.807
   50    HD2  HIS   8           HD2      HIS   8   1.255   1.184  15.048
   51    HE1  HIS   8           HE1      HIS   8   0.336   1.234  19.167
   52    H    PHE   9           HN       PHE   9   2.696   0.510  13.493
   53    HA   PHE   9           HA       PHE   9   2.144  -1.768  15.129
   54   1HB   PHE   9          HB2       PHE   9   2.148  -1.136  12.183
   55   2HB   PHE   9          HB1       PHE   9   1.776  -2.767  12.732
   56    HD1  PHE   9           HD1      PHE   9   0.719  -0.744  15.360
   57    HD2  PHE   9           HD2      PHE   9  -0.348  -1.749  11.324
   58    HE1  PHE   9           HE1      PHE   9  -1.620  -0.065  15.804
   59    HE2  PHE   9           HE2      PHE   9  -2.687  -1.068  11.769
   60    HZ   PHE   9           HZ       PHE   9  -3.324  -0.224  14.012
   61    H    GLN  10           HN       GLN  10   2.902  -4.064  14.269
   62    HA   GLN  10           HA       GLN  10   5.811  -4.163  14.598
   63   1HB   GLN  10          HB2       GLN  10   3.489  -6.040  14.449
   64   2HB   GLN  10          HB1       GLN  10   5.096  -6.701  14.142
   65   1HG   GLN  10          HG2       GLN  10   5.546  -6.697  16.345
   66   2HG   GLN  10          HG1       GLN  10   5.235  -4.963  16.421
   67   1HE2  GLN  10          HE21      GLN  10   4.449  -7.003  18.442
   68   2HE2  GLN  10          HE22      GLN  10   2.758  -6.918  18.557
   69    H    SER  11           HN       SER  11   4.174  -6.285  12.327
   70    HA   SER  11           HA       SER  11   6.086  -5.400  10.207
   71   1HB   SER  11          HB2       SER  11   4.375  -7.891  10.269
   72   2HB   SER  11          HB1       SER  11   5.879  -7.626   9.386
   73    HG   SER  11           HG       SER  11   5.500  -8.522  11.895
   74    H    CYS  12           HN       CYS  12   4.230  -6.928   8.306
   75    HA   CYS  12           HA       CYS  12   2.554  -4.589   7.603
   76   1HB   CYS  12          HB2       CYS  12   2.201  -5.963   5.511
   77   2HB   CYS  12          HB1       CYS  12   3.886  -5.589   5.857
   78    H    SER  13           HN       SER  13   2.142  -7.257   9.533
   79    HA   SER  13           HA       SER  13  -0.393  -8.307   8.716
   80   1HB   SER  13          HB2       SER  13   1.193  -8.129  11.271
   81   2HB   SER  13          HB1       SER  13  -0.412  -8.854  11.275
   82    HG   SER  13           HG       SER  13   1.884  -9.625   9.805
   83    H    GLN  14           HN       GLN  14   0.275  -6.026  11.415
   84    HA   GLN  14           HA       GLN  14  -2.531  -5.246  11.585
   85   1HB   GLN  14          HB2       GLN  14  -0.821  -5.372  13.453
   86   2HB   GLN  14          HB1       GLN  14  -0.072  -3.930  12.769
   87   1HG   GLN  14          HG2       GLN  14  -1.513  -2.778  14.083
   88   2HG   GLN  14          HG1       GLN  14  -2.727  -3.207  12.879
   89   1HE2  GLN  14          HE21      GLN  14  -4.557  -4.052  13.867
   90   2HE2  GLN  14          HE22      GLN  14  -4.557  -5.048  15.241
   91    H    CYS  15           HN       CYS  15   0.358  -3.995  10.015
   92    HA   CYS  15           HA       CYS  15  -0.386  -1.312   9.536
   93   1HB   CYS  15          HB2       CYS  15   1.392  -3.372   8.401
   94   2HB   CYS  15          HB1       CYS  15   0.960  -2.090   7.271
   95    H    LEU  16           HN       LEU  16  -1.165  -4.237   7.621
   96    HA   LEU  16           HA       LEU  16  -3.013  -2.575   5.968
   97   1HB   LEU  16          HB2       LEU  16  -1.576  -5.200   5.671
   98   2HB   LEU  16          HB1       LEU  16  -2.975  -4.848   4.655
   99    HG   LEU  16           HG       LEU  16  -1.876  -2.677   4.014
  100   1HD1  LEU  16          HD11      LEU  16   0.174  -3.795   5.869
  101   2HD1  LEU  16          HD12      LEU  16  -0.288  -2.116   5.582
  102   3HD1  LEU  16          HD13      LEU  16   0.755  -2.954   4.432
  103   1HD2  LEU  16          HD21      LEU  16  -0.316  -3.690   2.441
  104   2HD2  LEU  16          HD22      LEU  16  -1.717  -4.745   2.616
  105   3HD2  LEU  16          HD23      LEU  16  -0.208  -5.142   3.436
  106    H    SER  17           HN       SER  17  -3.104  -4.578   8.687
  107    HA   SER  17           HA       SER  17  -5.747  -5.779   8.077
  108   1HB   SER  17          HB2       SER  17  -4.034  -7.049   9.301
  109   2HB   SER  17          HB1       SER  17  -3.951  -5.785  10.525
  110    HG   SER  17           HG       SER  17  -5.732  -6.519  11.382
  111    H    ALA  18           HN       ALA  18  -4.501  -2.874   9.321
  112    HA   ALA  18           HA       ALA  18  -7.182  -2.145  10.400
  113   1HB   ALA  18          HB1       ALA  18  -6.343  -1.736  12.508
  114   2HB   ALA  18          HB2       ALA  18  -4.757  -1.269  11.893
  115   3HB   ALA  18          HB3       ALA  18  -5.187  -2.975  12.021
  116    HA   PRO  19           HA       PRO  19  -5.042   1.042   7.754
  117   1HB   PRO  19          HB2       PRO  19  -6.911   1.127   5.760
  118   2HB   PRO  19          HB1       PRO  19  -5.509   0.042   5.750
  119   1HG   PRO  19          HG2       PRO  19  -8.345  -0.542   6.365
  120   2HG   PRO  19          HG1       PRO  19  -7.116  -1.561   5.607
  121   1HD   PRO  19          HD2       PRO  19  -7.940  -1.774   8.239
  122   2HD   PRO  19          HD1       PRO  19  -6.404  -2.392   7.597
  123    HA   PRO  20           HA       PRO  20  -9.144   3.463   8.377
  124   1HB   PRO  20          HB2       PRO  20 -10.881   2.479  10.243
  125   2HB   PRO  20          HB1       PRO  20 -10.997   2.088   8.515
  126   1HG   PRO  20          HG2       PRO  20  -9.905   0.473  10.753
  127   2HG   PRO  20          HG1       PRO  20 -10.813  -0.043   9.323
  128   1HD   PRO  20          HD2       PRO  20  -8.103  -0.289   9.609
  129   2HD   PRO  20          HD1       PRO  20  -8.937  -0.210   8.045
  130    H    PHE  21           HN       PHE  21  -7.388   1.769  10.845
  131    HA   PHE  21           HA       PHE  21  -7.690   4.067  12.741
  132   1HB   PHE  21          HB2       PHE  21  -6.352   1.413  13.276
  133   2HB   PHE  21          HB1       PHE  21  -7.111   2.507  14.430
  134    HD1  PHE  21           HD1      PHE  21  -7.597  -0.578  13.744
  135    HD2  PHE  21           HD2      PHE  21  -9.637   3.087  12.812
  136    HE1  PHE  21           HE1      PHE  21  -9.732  -1.821  13.524
  137    HE2  PHE  21           HE2      PHE  21 -11.770   1.843  12.590
  138    HZ   PHE  21           HZ       PHE  21 -11.818  -0.611  12.947
  139    H    VAL  22           HN       VAL  22  -5.917   3.878  10.238
  140    HA   VAL  22           HA       VAL  22  -3.420   4.776  11.577
  141    HB   VAL  22           HB       VAL  22  -2.097   3.168  10.300
  142   1HG1  VAL  22          HG11      VAL  22  -2.804   1.116  11.387
  143   2HG1  VAL  22          HG12      VAL  22  -4.442   1.737  11.577
  144   3HG1  VAL  22          HG13      VAL  22  -3.115   2.461  12.485
  145   1HG2  VAL  22          HG21      VAL  22  -3.722   1.335   9.166
  146   2HG2  VAL  22          HG22      VAL  22  -3.081   2.716   8.277
  147   3HG2  VAL  22          HG23      VAL  22  -4.712   2.777   8.944
  148    H    GLN  23           HN       GLN  23  -1.789   5.182   9.487
  149    HA   GLN  23           HA       GLN  23  -3.331   6.444   7.274
  150   1HB   GLN  23          HB2       GLN  23  -3.196   8.250   8.793
  151   2HB   GLN  23          HB1       GLN  23  -1.576   7.798   9.323
  152   1HG   GLN  23          HG2       GLN  23  -0.628   9.059   7.712
  153   2HG   GLN  23          HG1       GLN  23  -1.612   8.296   6.464
  154   1HE2  GLN  23          HE21      GLN  23  -4.108   9.092   6.712
  155   2HE2  GLN  23          HE22      GLN  23  -4.280  10.774   6.855
  156    H    CYS  24           HN       CYS  24  -0.158   5.556   8.642
  157    HA   CYS  24           HA       CYS  24   1.355   6.044   6.249
  158   1HB   CYS  24          HB2       CYS  24   3.111   5.050   7.459
  159   2HB   CYS  24          HB1       CYS  24   2.058   5.656   8.732
  160    H    GLY  25           HN       GLY  25   2.532   4.101   5.161
  161   1HA   GLY  25          HA2       GLY  25   0.715   1.783   4.746
  162   2HA   GLY  25          HA1       GLY  25   1.185   2.743   3.341
  163    H    TRP  26           HN       TRP  26   2.022   0.295   2.983
  164    HA   TRP  26           HA       TRP  26   4.643  -0.179   4.277
  165   1HB   TRP  26          HB2       TRP  26   2.781  -1.869   3.628
  166   2HB   TRP  26          HB1       TRP  26   3.389  -1.691   1.985
  167    HD1  TRP  26           HD1      TRP  26   5.496  -3.019   1.348
  168    HE1  TRP  26           HE1      TRP  26   7.134  -4.541   2.633
  169    HE3  TRP  26           HE3      TRP  26   3.930  -2.152   6.122
  170    HZ2  TRP  26           HZ2      TRP  26   7.698  -5.292   5.338
  171    HZ3  TRP  26           HZ3      TRP  26   5.031  -3.279   8.036
  172    HH2  TRP  26           HH2      TRP  26   6.912  -4.848   7.649
  173    H    CYS  27           HN       CYS  27   6.613   0.269   3.268
  174    HA   CYS  27           HA       CYS  27   6.511   1.152   0.407
  175   1HB   CYS  27          HB2       CYS  27   6.678   2.819   2.530
  176   2HB   CYS  27          HB1       CYS  27   8.391   2.488   2.277
  177    H    HIS  28           HN       HIS  28   7.540  -0.662  -0.432
  178    HA   HIS  28           HA       HIS  28   9.283  -2.165  -0.934
  179   1HB   HIS  28          HB2       HIS  28  10.317   0.569  -0.469
  180   2HB   HIS  28          HB1       HIS  28  11.533  -0.704  -0.583
  181    HD1  HIS  28           HD1      HIS  28  12.030  -1.632  -2.878
  182    HD2  HIS  28           HD2      HIS  28   8.586   0.716  -2.837
  183    HE1  HIS  28           HE1      HIS  28  11.324  -1.353  -5.294
  184    H    ASP  29           HN       ASP  29   8.747  -1.609   2.300
  185    HA   ASP  29           HA       ASP  29  10.267  -3.792   3.214
  186   1HB   ASP  29          HB2       ASP  29  12.124  -2.305   4.365
  187   2HB   ASP  29          HB1       ASP  29  12.316  -2.818   2.691
  188    H    LYS  30           HN       LYS  30  10.134  -0.464   4.556
  189    HA   LYS  30           HA       LYS  30   8.925  -1.607   7.023
  190   1HB   LYS  30          HB2       LYS  30  11.001  -0.038   6.800
  191   2HB   LYS  30          HB1       LYS  30   9.802   1.240   6.592
  192   1HG   LYS  30          HG2       LYS  30   9.003   1.035   8.752
  193   2HG   LYS  30          HG1       LYS  30   9.440  -0.671   8.863
  194   1HD   LYS  30          HD2       LYS  30  11.250   0.000  10.036
  195   2HD   LYS  30          HD1       LYS  30  11.883   0.620   8.511
  196   1HE   LYS  30          HE2       LYS  30  11.740   2.727   9.317
  197   2HE   LYS  30          HE1       LYS  30   9.990   2.520   9.537
  198   1HZ   LYS  30          HZ1       LYS  30  12.149   1.751  11.424
  199   2HZ   LYS  30          HZ2       LYS  30  10.539   1.233  11.589
  200   3HZ   LYS  30          HZ3       LYS  30  10.916   2.887  11.680
  201    H    CYS  31           HN       CYS  31   7.231  -0.164   8.091
  202    HA   CYS  31           HA       CYS  31   5.121   0.454   6.113
  203   1HB   CYS  31          HB2       CYS  31   5.185  -0.789   8.539
  204   2HB   CYS  31          HB1       CYS  31   4.701   0.836   9.024
  205    H    VAL  32           HN       VAL  32   5.448   2.491   5.242
  206    HA   VAL  32           HA       VAL  32   5.373   4.794   7.123
  207    HB   VAL  32           HB       VAL  32   7.314   5.796   6.007
  208   1HG1  VAL  32          HG11      VAL  32   7.519   3.980   7.868
  209   2HG1  VAL  32          HG12      VAL  32   8.971   4.430   6.973
  210   3HG1  VAL  32          HG13      VAL  32   8.112   2.943   6.570
  211   1HG2  VAL  32          HG21      VAL  32   7.345   3.236   4.370
  212   2HG2  VAL  32          HG22      VAL  32   8.551   4.522   4.289
  213   3HG2  VAL  32          HG23      VAL  32   6.896   4.830   3.763
  214    H    ARG  33           HN       ARG  33   4.993   6.873   5.772
  215    HA   ARG  33           HA       ARG  33   3.209   6.187   3.465
  216   1HB   ARG  33          HB2       ARG  33   2.594   7.416   5.786
  217   2HB   ARG  33          HB1       ARG  33   3.083   8.825   4.844
  218   1HG   ARG  33          HG2       ARG  33   1.551   7.609   2.999
  219   2HG   ARG  33          HG1       ARG  33   0.762   7.002   4.456
  220   1HD   ARG  33          HD2       ARG  33  -0.347   9.070   3.894
  221   2HD   ARG  33          HD1       ARG  33   0.713   9.440   5.269
  222    HE   ARG  33           HE       ARG  33   2.348  10.368   3.671
  223   1HH1  ARG  33          HH21      ARG  33   1.430   8.940   1.207
  224   2HH1  ARG  33          HH22      ARG  33   0.596  10.193   0.347
  225   1HH2  ARG  33          HH11      ARG  33   0.322  12.267   3.116
  226   2HH2  ARG  33          HH12      ARG  33  -0.033  12.079   1.431
  227    H    SER  34           HN       SER  34   3.075   8.077   1.835
  228    HA   SER  34           HA       SER  34   5.469   8.496   0.488
  229   1HB   SER  34          HB2       SER  34   3.026   9.002  -0.134
  230   2HB   SER  34          HB1       SER  34   3.259  10.552   0.671
  231    HG   SER  34           HG       SER  34   4.971  10.961  -0.760
  232    H    GLU  35           HN       GLU  35   4.404  10.093   3.404
  233    HA   GLU  35           HA       GLU  35   6.300  12.333   3.095
  234   1HB   GLU  35          HB2       GLU  35   4.017  11.536   4.769
  235   2HB   GLU  35          HB1       GLU  35   5.283  12.382   5.659
  236   1HG   GLU  35          HG2       GLU  35   5.011  13.790   3.239
  237   2HG   GLU  35          HG1       GLU  35   3.364  13.450   3.771
  238    H    GLU  36           HN       GLU  36   6.356   9.128   4.388
  239    HA   GLU  36           HA       GLU  36   8.800   9.824   5.989
  240   1HB   GLU  36          HB2       GLU  36   6.425   8.101   6.429
  241   2HB   GLU  36          HB1       GLU  36   7.965   7.435   6.977
  242   1HG   GLU  36          HG2       GLU  36   7.236  10.276   7.645
  243   2HG   GLU  36          HG1       GLU  36   6.586   8.949   8.609
  244    H    CYS  37           HN       CYS  37   7.683   8.177   3.226
  245    HA   CYS  37           HA       CYS  37   9.672   6.009   3.308
  246   1HB   CYS  37          HB2       CYS  37   7.377   5.870   2.280
  247   2HB   CYS  37          HB1       CYS  37   7.912   7.016   1.050
  248    H    LEU  38           HN       LEU  38  11.357   5.825   1.623
  249    HA   LEU  38           HA       LEU  38  12.936   8.211   1.316
  250   1HB   LEU  38          HB2       LEU  38  13.166   5.419   1.005
  251   2HB   LEU  38          HB1       LEU  38  13.525   6.095  -0.584
  252    HG   LEU  38           HG       LEU  38  14.837   6.881   2.034
  253   1HD1  LEU  38          HD11      LEU  38  15.702   5.273  -0.372
  254   2HD1  LEU  38          HD12      LEU  38  15.787   4.827   1.333
  255   3HD1  LEU  38          HD13      LEU  38  16.881   6.050   0.684
  256   1HD2  LEU  38          HD21      LEU  38  16.157   7.869  -0.320
  257   2HD2  LEU  38          HD22      LEU  38  15.473   8.789   1.021
  258   3HD2  LEU  38          HD23      LEU  38  14.466   8.370  -0.365
  259    H    SER  39           HN       SER  39  11.814   6.184  -1.395
  260    HA   SER  39           HA       SER  39  11.809   8.421  -3.242
  261   1HB   SER  39          HB2       SER  39  11.554   5.544  -3.224
  262   2HB   SER  39          HB1       SER  39  10.304   6.242  -4.249
  263    HG   SER  39           HG       SER  39  12.926   7.218  -4.419
  264    H    GLY  40           HN       GLY  40   9.643   8.603  -4.654
  265   1HA   GLY  40          HA2       GLY  40   7.547   9.461  -2.764
  266   2HA   GLY  40          HA1       GLY  40   7.578   9.793  -4.497
  267    H    THR  41           HN       THR  41   8.243   6.541  -3.662
  268    HA   THR  41           HA       THR  41   5.667   5.697  -4.846
  269    HB   THR  41           HB       THR  41   6.790   3.528  -4.949
  270    HG1  THR  41           HG1      THR  41   8.422   4.779  -3.066
  271   1HG2  THR  41          HG21      THR  41   9.024   5.433  -5.532
  272   2HG2  THR  41          HG22      THR  41   7.504   5.621  -6.406
  273   3HG2  THR  41          HG23      THR  41   8.400   4.107  -6.512
  274    H    TRP  42           HN       TRP  42   4.126   4.443  -3.713
  275    HA   TRP  42           HA       TRP  42   4.635   3.765  -0.866
  276   1HB   TRP  42          HB2       TRP  42   3.827   6.123  -0.981
  277   2HB   TRP  42          HB1       TRP  42   2.385   5.564  -1.824
  278    HD1  TRP  42           HD1      TRP  42   4.234   4.834   1.495
  279    HE1  TRP  42           HE1      TRP  42   2.463   4.369   3.308
  280    HE3  TRP  42           HE3      TRP  42  -0.014   5.151  -1.321
  281    HZ2  TRP  42           HZ2      TRP  42  -0.383   4.162   3.535
  282    HZ3  TRP  42           HZ3      TRP  42  -2.239   4.816  -0.284
  283    HH2  TRP  42           HH2      TRP  42  -2.429   4.324   2.139
  284    H    THR  43           HN       THR  43   3.705   1.771  -0.475
  285    HA   THR  43           HA       THR  43   1.373   0.969  -2.194
  286    HB   THR  43           HB       THR  43   3.413  -0.133  -2.939
  287    HG1  THR  43           HG1      THR  43   2.599  -2.106  -2.875
  288   1HG2  THR  43          HG21      THR  43   4.766  -1.479  -1.373
  289   2HG2  THR  43          HG22      THR  43   3.732  -0.962  -0.041
  290   3HG2  THR  43          HG23      THR  43   4.732   0.216  -0.891
  291    H    GLN  44           HN       GLN  44  -0.168  -0.432  -1.121
  292    HA   GLN  44           HA       GLN  44   0.204  -0.690   1.841
  293   1HB   GLN  44          HB2       GLN  44  -1.757   0.811   0.255
  294   2HB   GLN  44          HB1       GLN  44  -2.506  -0.258   1.443
  295   1HG   GLN  44          HG2       GLN  44  -0.408   0.850   2.861
  296   2HG   GLN  44          HG1       GLN  44  -0.957   2.196   1.863
  297   1HE2  GLN  44          HE21      GLN  44  -1.426   0.984   4.863
  298   2HE2  GLN  44          HE22      GLN  44  -3.061   1.372   5.102
  299    H    GLN  45           HN       GLN  45   0.593  -2.732  -0.199
  300    HA   GLN  45           HA       GLN  45  -1.398  -4.693   0.794
  301   1HB   GLN  45          HB2       GLN  45  -2.185  -3.496  -1.340
  302   2HB   GLN  45          HB1       GLN  45  -0.874  -4.340  -2.162
  303   1HG   GLN  45          HG2       GLN  45  -2.078  -6.360  -0.708
  304   2HG   GLN  45          HG1       GLN  45  -3.449  -5.372  -1.215
  305   1HE2  GLN  45          HE21      GLN  45  -0.995  -7.593  -2.327
  306   2HE2  GLN  45          HE22      GLN  45  -1.453  -7.593  -3.960
  307    H    ILE  46           HN       ILE  46   0.163  -6.002   1.720
  308    HA   ILE  46           HA       ILE  46   1.984  -7.436  -0.125
  309    HB   ILE  46           HB       ILE  46   2.830  -5.759   2.258
  310   1HG1  ILE  46          HG12      ILE  46   2.638  -4.609   0.064
  311   2HG1  ILE  46          HG11      ILE  46   4.315  -4.704   0.602
  312   1HG2  ILE  46          HG21      ILE  46   3.976  -8.218   1.173
  313   2HG2  ILE  46          HG22      ILE  46   4.385  -7.352   2.653
  314   3HG2  ILE  46          HG23      ILE  46   5.114  -6.873   1.121
  315   1HD1  ILE  46          HD11      ILE  46   3.663  -7.079  -0.890
  316   2HD1  ILE  46          HD12      ILE  46   4.882  -5.855  -1.246
  317   3HD1  ILE  46          HD13      ILE  46   3.234  -5.656  -1.839
  318    H    CYS  47           HN       CYS  47   0.840  -6.954   3.199
  319    HA   CYS  47           HA       CYS  47   1.481  -9.661   4.079
  320   1HB   CYS  47          HB2       CYS  47   0.747  -7.135   5.145
  321   2HB   CYS  47          HB1       CYS  47  -0.496  -8.273   5.659
  322    H    LEU  48           HN       LEU  48   0.238 -11.425   3.549
  323    HA   LEU  48           HA       LEU  48  -2.584 -10.977   2.677
  324   1HB   LEU  48          HB2       LEU  48  -0.434 -13.021   2.216
  325   2HB   LEU  48          HB1       LEU  48  -2.119 -13.492   1.992
  326    HG   LEU  48           HG       LEU  48  -1.426 -10.904   0.768
  327   1HD1  LEU  48          HD11      LEU  48   0.111 -11.589  -0.795
  328   2HD1  LEU  48          HD12      LEU  48  -0.465 -13.255  -0.787
  329   3HD1  LEU  48          HD13      LEU  48   0.582 -12.677   0.509
  330   1HD2  LEU  48          HD21      LEU  48  -2.630 -12.053  -1.154
  331   2HD2  LEU  48          HD22      LEU  48  -3.568 -11.911   0.333
  332   3HD2  LEU  48          HD23      LEU  48  -2.823 -13.450  -0.096
  Start of MODEL    9
    1   1H    GLY   1           HT1      GLY   1  -6.370  -5.456  17.038
    2   2H    GLY   1           HT2      GLY   1  -6.812  -4.451  15.741
    3   3H    GLY   1           HT3      GLY   1  -7.902  -5.612  16.328
    4   1HA   GLY   1          HA2       GLY   1  -8.437  -3.326  17.052
    5   2HA   GLY   1          HA1       GLY   1  -8.166  -4.453  18.381
    6    H    SER   2           HN       SER   2  -7.739  -2.249  19.461
    7    HA   SER   2           HA       SER   2  -6.215  -0.601  20.242
    8   1HB   SER   2          HB2       SER   2  -3.880  -1.989  20.429
    9   2HB   SER   2          HB1       SER   2  -5.231  -2.213  21.535
   10    HG   SER   2           HG       SER   2  -5.887  -3.967  20.356
   11    H    ALA   3           HN       ALA   3  -6.478  -0.870  17.240
   12    HA   ALA   3           HA       ALA   3  -3.913  -0.586  15.984
   13   1HB   ALA   3          HB1       ALA   3  -5.851   0.889  14.559
   14   2HB   ALA   3          HB2       ALA   3  -6.745  -0.390  15.381
   15   3HB   ALA   3          HB3       ALA   3  -5.413  -0.801  14.301
   16    H    MET   4           HN       MET   4  -2.574   0.962  16.999
   17    HA   MET   4           HA       MET   4  -3.643   3.765  17.080
   18   1HB   MET   4          HB2       MET   4  -2.726   2.112  19.132
   19   2HB   MET   4          HB1       MET   4  -1.356   3.174  18.798
   20   1HG   MET   4          HG2       MET   4  -3.679   4.796  18.728
   21   2HG   MET   4          HG1       MET   4  -3.807   3.791  20.170
   22   1HE   MET   4          HE1       MET   4  -2.527   3.501  21.795
   23   2HE   MET   4          HE2       MET   4  -1.813   4.876  22.634
   24   3HE   MET   4          HE3       MET   4  -0.774   3.744  21.772
   25    H    GLY   5           HN       GLY   5  -2.665   3.370  14.685
   26   1HA   GLY   5          HA2       GLY   5  -0.991   4.850  13.589
   27   2HA   GLY   5          HA1       GLY   5   0.164   4.330  14.815
   28    H    CYS   6           HN       CYS   6  -0.787   3.847  11.669
   29    HA   CYS   6           HA       CYS   6  -0.499   1.035  11.270
   30   1HB   CYS   6          HB2       CYS   6  -1.389   2.252   9.484
   31   2HB   CYS   6          HB1       CYS   6  -0.233   3.562   9.669
   32    H    ARG   7           HN       ARG   7   1.902   3.685  10.989
   33    HA   ARG   7           HA       ARG   7   4.160   2.008  10.460
   34   1HB   ARG   7          HB2       ARG   7   5.407   4.054  11.098
   35   2HB   ARG   7          HB1       ARG   7   4.024   4.455  10.082
   36   1HG   ARG   7          HG2       ARG   7   2.779   4.674  12.402
   37   2HG   ARG   7          HG1       ARG   7   4.416   4.915  13.016
   38   1HD   ARG   7          HD2       ARG   7   3.779   7.115  12.478
   39   2HD   ARG   7          HD1       ARG   7   4.596   6.610  10.985
   40    HE   ARG   7           HE       ARG   7   1.708   6.014  11.139
   41   1HH1  ARG   7          HH11      ARG   7   3.981   6.657   8.931
   42   2HH1  ARG   7          HH12      ARG   7   3.193   7.993   8.161
   43   1HH2  ARG   7          HH21      ARG   7   0.802   8.356  10.646
   44   2HH2  ARG   7          HH22      ARG   7   1.393   8.955   9.131
   45    H    HIS   8           HN       HIS   8   2.539   2.982  13.430
   46    HA   HIS   8           HA       HIS   8   4.561   2.251  15.317
   47   1HB   HIS   8          HB2       HIS   8   2.731   3.528  16.092
   48   2HB   HIS   8          HB1       HIS   8   1.554   2.490  15.290
   49    HD1  HIS   8           HD1      HIS   8   4.239   1.998  17.979
   50    HD2  HIS   8           HD2      HIS   8   0.327   0.840  17.119
   51    HE1  HIS   8           HE1      HIS   8   3.484   0.534  19.903
   52    H    PHE   9           HN       PHE   9   2.374   0.373  13.356
   53    HA   PHE   9           HA       PHE   9   2.326  -2.060  14.871
   54   1HB   PHE   9          HB2       PHE   9   2.141  -1.514  11.890
   55   2HB   PHE   9          HB1       PHE   9   1.621  -3.000  12.681
   56    HD1  PHE   9           HD1      PHE   9  -0.326  -1.547  11.085
   57    HD2  PHE   9           HD2      PHE   9   0.824  -0.925  15.176
   58    HE1  PHE   9           HE1      PHE   9  -2.539  -0.528  11.548
   59    HE2  PHE   9           HE2      PHE   9  -1.391   0.095  15.638
   60    HZ   PHE   9           HZ       PHE   9  -3.069   0.295  13.827
   61    H    GLN  10           HN       GLN  10   3.477  -4.092  14.193
   62    HA   GLN  10           HA       GLN  10   6.353  -3.643  13.952
   63   1HB   GLN  10          HB2       GLN  10   4.476  -5.989  14.210
   64   2HB   GLN  10          HB1       GLN  10   6.196  -6.249  13.917
   65   1HG   GLN  10          HG2       GLN  10   6.805  -5.506  15.998
   66   2HG   GLN  10          HG1       GLN  10   5.502  -4.319  16.068
   67   1HE2  GLN  10          HE21      GLN  10   3.589  -4.921  17.169
   68   2HE2  GLN  10          HE22      GLN  10   3.307  -6.475  17.791
   69    H    SER  11           HN       SER  11   4.902  -6.291  12.181
   70    HA   SER  11           HA       SER  11   6.369  -5.517   9.749
   71   1HB   SER  11          HB2       SER  11   5.751  -7.857  10.980
   72   2HB   SER  11          HB1       SER  11   4.453  -7.790   9.791
   73    HG   SER  11           HG       SER  11   7.250  -7.598   9.320
   74    H    CYS  12           HN       CYS  12   4.193  -6.894   8.125
   75    HA   CYS  12           HA       CYS  12   2.602  -4.438   7.606
   76   1HB   CYS  12          HB2       CYS  12   2.125  -5.602   5.474
   77   2HB   CYS  12          HB1       CYS  12   3.859  -5.546   5.791
   78    H    SER  13           HN       SER  13   2.243  -7.212   9.427
   79    HA   SER  13           HA       SER  13  -0.299  -8.263   8.797
   80   1HB   SER  13          HB2       SER  13  -0.159  -8.321  11.545
   81   2HB   SER  13          HB1       SER  13   0.651  -9.466  10.478
   82    HG   SER  13           HG       SER  13   2.088  -8.468  11.971
   83    H    GLN  14           HN       GLN  14   0.343  -5.789  11.323
   84    HA   GLN  14           HA       GLN  14  -2.490  -5.061  11.427
   85   1HB   GLN  14          HB2       GLN  14  -0.769  -5.119  13.319
   86   2HB   GLN  14          HB1       GLN  14  -0.118  -3.630  12.635
   87   1HG   GLN  14          HG2       GLN  14  -1.699  -2.480  13.749
   88   2HG   GLN  14          HG1       GLN  14  -2.920  -3.278  12.758
   89   1HE2  GLN  14          HE21      GLN  14  -3.414  -2.614  15.512
   90   2HE2  GLN  14          HE22      GLN  14  -3.566  -4.061  16.384
   91    H    CYS  15           HN       CYS  15   0.401  -3.873   9.840
   92    HA   CYS  15           HA       CYS  15  -0.214  -1.198   9.281
   93   1HB   CYS  15          HB2       CYS  15   1.090  -3.425   7.724
   94   2HB   CYS  15          HB1       CYS  15   1.029  -1.785   7.086
   95    H    LEU  16           HN       LEU  16  -1.316  -4.098   7.488
   96    HA   LEU  16           HA       LEU  16  -3.200  -2.348   5.964
   97   1HB   LEU  16          HB2       LEU  16  -2.032  -5.108   5.553
   98   2HB   LEU  16          HB1       LEU  16  -3.304  -4.451   4.522
   99    HG   LEU  16           HG       LEU  16  -1.798  -2.426   4.170
  100   1HD1  LEU  16          HD11      LEU  16  -0.034  -4.208   5.797
  101   2HD1  LEU  16          HD12      LEU  16  -0.161  -2.450   5.800
  102   3HD1  LEU  16          HD13      LEU  16   0.708  -3.267   4.503
  103   1HD2  LEU  16          HD21      LEU  16  -1.995  -4.006   2.381
  104   2HD2  LEU  16          HD22      LEU  16  -0.996  -5.189   3.226
  105   3HD2  LEU  16          HD23      LEU  16  -0.268  -3.715   2.585
  106    H    SER  17           HN       SER  17  -3.131  -4.635   8.536
  107    HA   SER  17           HA       SER  17  -5.819  -5.713   8.095
  108   1HB   SER  17          HB2       SER  17  -3.759  -5.764  10.296
  109   2HB   SER  17          HB1       SER  17  -5.358  -6.459  10.540
  110    HG   SER  17           HG       SER  17  -3.234  -7.397   9.119
  111    H    ALA  18           HN       ALA  18  -4.549  -2.783   9.369
  112    HA   ALA  18           HA       ALA  18  -7.259  -2.065  10.392
  113   1HB   ALA  18          HB1       ALA  18  -6.128  -2.750  12.365
  114   2HB   ALA  18          HB2       ALA  18  -5.944  -0.996  12.355
  115   3HB   ALA  18          HB3       ALA  18  -4.608  -2.026  11.842
  116    HA   PRO  19           HA       PRO  19  -4.950   1.162   7.901
  117   1HB   PRO  19          HB2       PRO  19  -6.579   1.183   5.705
  118   2HB   PRO  19          HB1       PRO  19  -5.149   0.145   5.861
  119   1HG   PRO  19          HG2       PRO  19  -8.016  -0.530   6.154
  120   2HG   PRO  19          HG1       PRO  19  -6.679  -1.509   5.542
  121   1HD   PRO  19          HD2       PRO  19  -7.784  -1.753   8.064
  122   2HD   PRO  19          HD1       PRO  19  -6.166  -2.317   7.599
  123    HA   PRO  20           HA       PRO  20  -9.177   3.437   8.027
  124   1HB   PRO  20          HB2       PRO  20 -11.061   2.418   9.730
  125   2HB   PRO  20          HB1       PRO  20 -10.995   2.014   8.002
  126   1HG   PRO  20          HG2       PRO  20 -10.078   0.445  10.350
  127   2HG   PRO  20          HG1       PRO  20 -10.829  -0.106   8.846
  128   1HD   PRO  20          HD2       PRO  20  -8.155  -0.282   9.379
  129   2HD   PRO  20          HD1       PRO  20  -8.838  -0.212   7.743
  130    H    PHE  21           HN       PHE  21  -7.488   1.908  10.596
  131    HA   PHE  21           HA       PHE  21  -8.092   4.169  12.465
  132   1HB   PHE  21          HB2       PHE  21  -6.714   1.527  13.023
  133   2HB   PHE  21          HB1       PHE  21  -7.423   2.635  14.198
  134    HD1  PHE  21           HD1      PHE  21  -7.962  -0.444  12.968
  135    HD2  PHE  21           HD2      PHE  21 -10.004   3.331  13.147
  136    HE1  PHE  21           HE1      PHE  21 -10.143  -1.613  12.767
  137    HE2  PHE  21           HE2      PHE  21 -12.184   2.163  12.946
  138    HZ   PHE  21           HZ       PHE  21 -12.253  -0.308  12.755
  139    H    VAL  22           HN       VAL  22  -6.091   3.942  10.076
  140    HA   VAL  22           HA       VAL  22  -3.814   5.162  11.535
  141    HB   VAL  22           HB       VAL  22  -2.241   3.561  10.537
  142   1HG1  VAL  22          HG11      VAL  22  -4.532   2.057  11.832
  143   2HG1  VAL  22          HG12      VAL  22  -3.391   3.055  12.733
  144   3HG1  VAL  22          HG13      VAL  22  -2.822   1.627  11.868
  145   1HG2  VAL  22          HG21      VAL  22  -3.424   1.473   9.482
  146   2HG2  VAL  22          HG22      VAL  22  -3.191   2.913   8.492
  147   3HG2  VAL  22          HG23      VAL  22  -4.765   2.587   9.218
  148    H    GLN  23           HN       GLN  23  -2.053   5.716   9.712
  149    HA   GLN  23           HA       GLN  23  -3.422   6.531   7.179
  150   1HB   GLN  23          HB2       GLN  23  -3.614   8.525   8.343
  151   2HB   GLN  23          HB1       GLN  23  -2.227   8.177   9.369
  152   1HG   GLN  23          HG2       GLN  23  -0.688   8.706   7.558
  153   2HG   GLN  23          HG1       GLN  23  -2.030   8.908   6.430
  154   1HE2  GLN  23          HE21      GLN  23  -1.468  10.122   9.792
  155   2HE2  GLN  23          HE22      GLN  23  -1.763  11.748   9.403
  156    H    CYS  24           HN       CYS  24  -0.926   4.852   8.494
  157    HA   CYS  24           HA       CYS  24   1.130   5.775   6.548
  158   1HB   CYS  24          HB2       CYS  24   2.459   5.346   8.326
  159   2HB   CYS  24          HB1       CYS  24   1.063   4.784   9.229
  160    H    GLY  25           HN       GLY  25   2.416   3.856   5.537
  161   1HA   GLY  25          HA2       GLY  25   0.735   1.495   4.927
  162   2HA   GLY  25          HA1       GLY  25   1.186   2.524   3.564
  163    H    TRP  26           HN       TRP  26   2.190   0.124   3.191
  164    HA   TRP  26           HA       TRP  26   4.809  -0.148   4.549
  165   1HB   TRP  26          HB2       TRP  26   3.252  -2.065   4.058
  166   2HB   TRP  26          HB1       TRP  26   3.544  -1.795   2.339
  167    HD1  TRP  26           HD1      TRP  26   5.778  -2.654   1.331
  168    HE1  TRP  26           HE1      TRP  26   7.799  -3.940   2.288
  169    HE3  TRP  26           HE3      TRP  26   4.703  -2.393   6.309
  170    HZ2  TRP  26           HZ2      TRP  26   8.826  -4.743   4.837
  171    HZ3  TRP  26           HZ3      TRP  26   6.212  -3.427   7.982
  172    HH2  TRP  26           HH2      TRP  26   8.268  -4.603   7.253
  173    H    CYS  27           HN       CYS  27   6.812   0.080   3.465
  174    HA   CYS  27           HA       CYS  27   6.709   1.043   0.634
  175   1HB   CYS  27          HB2       CYS  27   7.096   2.589   2.950
  176   2HB   CYS  27          HB1       CYS  27   8.702   2.402   2.252
  177    H    HIS  28           HN       HIS  28   7.669  -0.817  -0.170
  178    HA   HIS  28           HA       HIS  28   9.281  -2.591  -0.340
  179   1HB   HIS  28          HB2       HIS  28  10.722   0.050  -0.668
  180   2HB   HIS  28          HB1       HIS  28  11.253  -1.489  -1.347
  181    HD1  HIS  28           HD1      HIS  28   8.347  -2.484  -2.152
  182    HD2  HIS  28           HD2      HIS  28   9.989   1.224  -3.123
  183    HE1  HIS  28           HE1      HIS  28   7.108  -1.667  -4.205
  184    H    ASP  29           HN       ASP  29   9.100  -1.988   2.586
  185    HA   ASP  29           HA       ASP  29  11.448  -3.284   3.496
  186   1HB   ASP  29          HB2       ASP  29  11.935  -0.649   2.625
  187   2HB   ASP  29          HB1       ASP  29  11.989  -0.584   4.382
  188    H    LYS  30           HN       LYS  30   9.931  -0.266   4.694
  189    HA   LYS  30           HA       LYS  30   9.090  -1.813   7.124
  190   1HB   LYS  30          HB2       LYS  30  11.037   0.056   6.973
  191   2HB   LYS  30          HB1       LYS  30   9.650   1.104   7.265
  192   1HG   LYS  30          HG2       LYS  30   9.290  -1.022   9.039
  193   2HG   LYS  30          HG1       LYS  30  11.020  -0.689   9.102
  194   1HD   LYS  30          HD2       LYS  30  10.727   1.415   9.977
  195   2HD   LYS  30          HD1       LYS  30   9.193   1.662   9.143
  196   1HE   LYS  30          HE2       LYS  30   8.223   1.243  11.163
  197   2HE   LYS  30          HE1       LYS  30   8.649  -0.455  10.875
  198   1HZ   LYS  30          HZ1       LYS  30  10.267   1.604  12.270
  199   2HZ   LYS  30          HZ2       LYS  30  10.906   0.114  11.761
  200   3HZ   LYS  30          HZ3       LYS  30   9.660   0.159  12.916
  201    H    CYS  31           HN       CYS  31   7.400  -0.375   8.384
  202    HA   CYS  31           HA       CYS  31   5.201   0.200   6.485
  203   1HB   CYS  31          HB2       CYS  31   5.235  -1.226   8.698
  204   2HB   CYS  31          HB1       CYS  31   5.062   0.342   9.488
  205    H    VAL  32           HN       VAL  32   5.436   2.281   5.676
  206    HA   VAL  32           HA       VAL  32   5.287   4.518   7.623
  207    HB   VAL  32           HB       VAL  32   7.250   5.587   6.724
  208   1HG1  VAL  32          HG11      VAL  32   8.997   3.968   7.256
  209   2HG1  VAL  32          HG12      VAL  32   7.875   2.630   7.006
  210   3HG1  VAL  32          HG13      VAL  32   7.643   3.735   8.362
  211   1HG2  VAL  32          HG21      VAL  32   8.522   4.107   4.913
  212   2HG2  VAL  32          HG22      VAL  32   7.267   5.248   4.429
  213   3HG2  VAL  32          HG23      VAL  32   6.889   3.532   4.576
  214    H    ARG  33           HN       ARG  33   5.057   6.657   6.252
  215    HA   ARG  33           HA       ARG  33   3.301   6.042   3.898
  216   1HB   ARG  33          HB2       ARG  33   2.607   7.179   6.243
  217   2HB   ARG  33          HB1       ARG  33   3.119   8.624   5.373
  218   1HG   ARG  33          HG2       ARG  33   1.656   7.524   3.432
  219   2HG   ARG  33          HG1       ARG  33   0.839   6.784   4.809
  220   1HD   ARG  33          HD2       ARG  33  -0.203   8.734   5.315
  221   2HD   ARG  33          HD1       ARG  33   1.335   9.619   5.282
  222    HE   ARG  33           HE       ARG  33   0.574  10.399   3.186
  223   1HH1  ARG  33          HH11      ARG  33  -2.004   8.782   3.351
  224   2HH1  ARG  33          HH12      ARG  33  -1.890   7.821   1.914
  225   1HH2  ARG  33          HH21      ARG  33   1.493   8.429   1.459
  226   2HH2  ARG  33          HH22      ARG  33   0.091   7.620   0.843
  227    H    SER  34           HN       SER  34   3.164   8.102   2.419
  228    HA   SER  34           HA       SER  34   5.466   8.553   0.991
  229   1HB   SER  34          HB2       SER  34   3.042  10.190   1.632
  230   2HB   SER  34          HB1       SER  34   4.329  10.941   0.693
  231    HG   SER  34           HG       SER  34   3.610   8.376  -0.066
  232    H    GLU  35           HN       GLU  35   4.462  10.389   3.889
  233    HA   GLU  35           HA       GLU  35   6.463  12.358   3.957
  234   1HB   GLU  35          HB2       GLU  35   4.447  11.928   5.481
  235   2HB   GLU  35          HB1       GLU  35   5.475  10.788   6.350
  236   1HG   GLU  35          HG2       GLU  35   7.172  12.710   6.530
  237   2HG   GLU  35          HG1       GLU  35   5.852  13.767   6.029
  238    H    GLU  36           HN       GLU  36   6.778   8.918   4.409
  239    HA   GLU  36           HA       GLU  36   9.565   9.283   5.452
  240   1HB   GLU  36          HB2       GLU  36   7.717   7.923   6.659
  241   2HB   GLU  36          HB1       GLU  36   7.953   6.731   5.380
  242   1HG   GLU  36          HG2       GLU  36   9.497   5.949   6.907
  243   2HG   GLU  36          HG1       GLU  36  10.516   7.083   6.020
  244    H    CYS  37           HN       CYS  37   7.610   7.790   2.905
  245    HA   CYS  37           HA       CYS  37   9.761   6.277   1.697
  246   1HB   CYS  37          HB2       CYS  37   7.155   7.376   0.590
  247   2HB   CYS  37          HB1       CYS  37   8.128   6.113  -0.163
  248    H    LEU  38           HN       LEU  38  11.561   7.656   1.338
  249    HA   LEU  38           HA       LEU  38  11.413  10.283   0.192
  250   1HB   LEU  38          HB2       LEU  38  13.273   9.080   1.509
  251   2HB   LEU  38          HB1       LEU  38  13.712   8.330  -0.025
  252    HG   LEU  38           HG       LEU  38  14.999  10.432   0.488
  253   1HD1  LEU  38          HD11      LEU  38  13.989   9.525  -1.899
  254   2HD1  LEU  38          HD12      LEU  38  15.156  10.838  -1.741
  255   3HD1  LEU  38          HD13      LEU  38  13.436  11.200  -1.889
  256   1HD2  LEU  38          HD21      LEU  38  12.522  11.387   1.261
  257   2HD2  LEU  38          HD22      LEU  38  12.756  12.156  -0.309
  258   3HD2  LEU  38          HD23      LEU  38  13.948  12.383   0.971
  259    H    SER  39           HN       SER  39  11.352   7.086  -1.221
  260    HA   SER  39           HA       SER  39  12.164   7.885  -3.896
  261   1HB   SER  39          HB2       SER  39  11.866   5.550  -2.499
  262   2HB   SER  39          HB1       SER  39  10.432   5.517  -3.520
  263    HG   SER  39           HG       SER  39  11.751   4.903  -5.032
  264    H    GLY  40           HN       GLY  40   9.475   8.750  -2.170
  265   1HA   GLY  40          HA2       GLY  40   7.442   9.716  -2.838
  266   2HA   GLY  40          HA1       GLY  40   8.045   9.664  -4.494
  267    H    THR  41           HN       THR  41   8.218   6.632  -2.998
  268    HA   THR  41           HA       THR  41   5.762   5.757  -4.470
  269    HB   THR  41           HB       THR  41   6.933   3.629  -4.656
  270    HG1  THR  41           HG1      THR  41   8.943   3.375  -3.650
  271   1HG2  THR  41          HG21      THR  41   9.207   5.480  -5.135
  272   2HG2  THR  41          HG22      THR  41   7.683   5.892  -5.923
  273   3HG2  THR  41          HG23      THR  41   8.441   4.330  -6.230
  274    H    TRP  42           HN       TRP  42   4.238   4.467  -3.377
  275    HA   TRP  42           HA       TRP  42   4.753   3.697  -0.554
  276   1HB   TRP  42          HB2       TRP  42   3.928   6.040  -0.574
  277   2HB   TRP  42          HB1       TRP  42   2.507   5.521  -1.478
  278    HD1  TRP  42           HD1      TRP  42   4.258   4.709   1.875
  279    HE1  TRP  42           HE1      TRP  42   2.436   4.163   3.614
  280    HE3  TRP  42           HE3      TRP  42   0.105   5.000  -1.084
  281    HZ2  TRP  42           HZ2      TRP  42  -0.414   3.882   3.731
  282    HZ3  TRP  42           HZ3      TRP  42  -2.146   4.587  -0.136
  283    HH2  TRP  42           HH2      TRP  42  -2.412   4.029   2.267
  284    H    THR  43           HN       THR  43   3.651   1.789  -0.069
  285    HA   THR  43           HA       THR  43   1.451   0.957  -1.932
  286    HB   THR  43           HB       THR  43   3.411  -0.187  -2.675
  287    HG1  THR  43           HG1      THR  43   1.535  -1.514  -2.153
  288   1HG2  THR  43          HG21      THR  43   4.775   0.409  -0.667
  289   2HG2  THR  43          HG22      THR  43   4.988  -1.267  -1.174
  290   3HG2  THR  43          HG23      THR  43   3.973  -0.888   0.219
  291    H    GLN  44           HN       GLN  44  -0.032  -0.614  -0.968
  292    HA   GLN  44           HA       GLN  44   0.178  -0.994   1.981
  293   1HB   GLN  44          HB2       GLN  44  -2.125  -0.111   2.230
  294   2HB   GLN  44          HB1       GLN  44  -1.051   1.112   1.551
  295   1HG   GLN  44          HG2       GLN  44  -2.589   1.323  -0.095
  296   2HG   GLN  44          HG1       GLN  44  -1.969  -0.215  -0.698
  297   1HE2  GLN  44          HE21      GLN  44  -4.189   0.804   1.977
  298   2HE2  GLN  44          HE22      GLN  44  -5.373  -0.360   1.624
  299    H    GLN  45           HN       GLN  45   0.596  -3.027   0.187
  300    HA   GLN  45           HA       GLN  45  -1.687  -4.811   0.717
  301   1HB   GLN  45          HB2       GLN  45  -2.064  -5.280  -1.663
  302   2HB   GLN  45          HB1       GLN  45  -2.264  -3.553  -1.362
  303   1HG   GLN  45          HG2       GLN  45   0.376  -3.591  -1.906
  304   2HG   GLN  45          HG1       GLN  45  -0.132  -4.976  -2.872
  305   1HE2  GLN  45          HE21      GLN  45  -1.282  -4.560  -4.809
  306   2HE2  GLN  45          HE22      GLN  45  -1.716  -3.001  -5.326
  307    H    ILE  46           HN       ILE  46  -0.405  -6.382   1.689
  308    HA   ILE  46           HA       ILE  46   1.627  -7.716  -0.021
  309    HB   ILE  46           HB       ILE  46   2.208  -6.718   2.783
  310   1HG1  ILE  46          HG12      ILE  46   2.835  -5.520   0.072
  311   2HG1  ILE  46          HG11      ILE  46   1.928  -4.773   1.389
  312   1HG2  ILE  46          HG21      ILE  46   3.485  -8.597   1.093
  313   2HG2  ILE  46          HG22      ILE  46   4.102  -7.920   2.599
  314   3HG2  ILE  46          HG23      ILE  46   4.483  -7.145   1.061
  315   1HD1  ILE  46          HD11      ILE  46   3.855  -3.909   2.164
  316   2HD1  ILE  46          HD12      ILE  46   4.779  -4.785   0.944
  317   3HD1  ILE  46          HD13      ILE  46   4.413  -5.550   2.490
  318    H    CYS  47           HN       CYS  47   0.854  -7.800   3.472
  319    HA   CYS  47           HA       CYS  47   0.317 -10.728   3.187
  320   1HB   CYS  47          HB2       CYS  47   0.796 -10.702   5.649
  321   2HB   CYS  47          HB1       CYS  47   2.135 -10.086   4.683
  322    H    LEU  48           HN       LEU  48  -1.658 -11.567   3.842
  323    HA   LEU  48           HA       LEU  48  -3.917  -9.751   4.110
  324   1HB   LEU  48          HB2       LEU  48  -3.601 -12.757   4.415
  325   2HB   LEU  48          HB1       LEU  48  -5.148 -11.923   4.329
  326    HG   LEU  48           HG       LEU  48  -4.891 -12.521   2.109
  327   1HD1  LEU  48          HD11      LEU  48  -4.868  -9.954   2.430
  328   2HD1  LEU  48          HD12      LEU  48  -4.407 -10.584   0.849
  329   3HD1  LEU  48          HD13      LEU  48  -3.166 -10.051   1.981
  330   1HD2  LEU  48          HD21      LEU  48  -2.108 -11.871   1.572
  331   2HD2  LEU  48          HD22      LEU  48  -2.967 -13.390   1.322
  332   3HD2  LEU  48          HD23      LEU  48  -2.249 -13.033   2.891
  Start of MODEL   10
    1   1H    GLY   1           HT1      GLY   1  -8.794  -5.926  15.257
    2   2H    GLY   1           HT2      GLY   1  -7.388  -6.863  15.437
    3   3H    GLY   1           HT3      GLY   1  -7.278  -5.171  15.331
    4   1HA   GLY   1          HA2       GLY   1  -8.959  -6.182  17.470
    5   2HA   GLY   1          HA1       GLY   1  -7.230  -6.495  17.634
    6    H    SER   2           HN       SER   2  -5.993  -4.855  18.428
    7    HA   SER   2           HA       SER   2  -7.275  -2.173  18.717
    8   1HB   SER   2          HB2       SER   2  -5.382  -3.879  20.230
    9   2HB   SER   2          HB1       SER   2  -5.027  -2.154  20.261
   10    HG   SER   2           HG       SER   2  -6.458  -2.413  21.873
   11    H    ALA   3           HN       ALA   3  -5.944  -0.269  18.280
   12    HA   ALA   3           HA       ALA   3  -3.430  -0.649  16.764
   13   1HB   ALA   3          HB1       ALA   3  -5.059  -0.967  15.033
   14   2HB   ALA   3          HB2       ALA   3  -4.489   0.692  14.854
   15   3HB   ALA   3          HB3       ALA   3  -6.044   0.371  15.623
   16    H    MET   4           HN       MET   4  -2.117   1.170  16.987
   17    HA   MET   4           HA       MET   4  -3.385   3.672  18.038
   18   1HB   MET   4          HB2       MET   4  -1.585   3.799  19.696
   19   2HB   MET   4          HB1       MET   4  -2.415   2.249  19.847
   20   1HG   MET   4          HG2       MET   4  -0.491   1.637  18.004
   21   2HG   MET   4          HG1       MET   4   0.353   2.826  18.996
   22   1HE   MET   4          HE1       MET   4  -2.025  -0.661  20.633
   23   2HE   MET   4          HE2       MET   4  -1.160  -1.030  19.144
   24   3HE   MET   4          HE3       MET   4  -2.291   0.320  19.185
   25    H    GLY   5           HN       GLY   5  -2.180   2.730  15.367
   26   1HA   GLY   5          HA2       GLY   5  -1.284   4.827  14.076
   27   2HA   GLY   5          HA1       GLY   5   0.089   4.652  15.170
   28    H    CYS   6           HN       CYS   6  -0.810   3.979  12.108
   29    HA   CYS   6           HA       CYS   6  -0.098   1.254  11.668
   30   1HB   CYS   6          HB2       CYS   6  -1.184   2.492   9.954
   31   2HB   CYS   6          HB1       CYS   6  -0.005   3.795  10.032
   32    H    ARG   7           HN       ARG   7   1.902   4.208  11.783
   33    HA   ARG   7           HA       ARG   7   4.384   3.096  10.980
   34   1HB   ARG   7          HB2       ARG   7   3.404   5.515  11.833
   35   2HB   ARG   7          HB1       ARG   7   4.420   5.051  13.199
   36   1HG   ARG   7          HG2       ARG   7   6.148   5.865  11.986
   37   2HG   ARG   7          HG1       ARG   7   5.991   4.398  11.017
   38   1HD   ARG   7          HD2       ARG   7   5.800   6.008   9.343
   39   2HD   ARG   7          HD1       ARG   7   4.093   5.855   9.804
   40    HE   ARG   7           HE       ARG   7   5.890   8.083  10.560
   41   1HH1  ARG   7          HH21      ARG   7   2.830   7.553   9.595
   42   2HH1  ARG   7          HH22      ARG   7   2.035   8.381  10.891
   43   1HH2  ARG   7          HH11      ARG   7   4.900   8.662  12.824
   44   2HH2  ARG   7          HH12      ARG   7   3.206   9.007  12.720
   45    H    HIS   8           HN       HIS   8   2.699   3.017  14.087
   46    HA   HIS   8           HA       HIS   8   4.867   1.955  15.660
   47   1HB   HIS   8          HB2       HIS   8   3.100   2.940  16.845
   48   2HB   HIS   8          HB1       HIS   8   1.874   2.187  15.830
   49    HD1  HIS   8           HD1      HIS   8   4.288   1.365  18.631
   50    HD2  HIS   8           HD2      HIS   8   0.979  -0.312  16.728
   51    HE1  HIS   8           HE1      HIS   8   3.621  -0.656  20.004
   52    H    PHE   9           HN       PHE   9   2.302   0.484  13.699
   53    HA   PHE   9           HA       PHE   9   2.393  -2.195  14.446
   54   1HB   PHE   9          HB2       PHE   9   2.293  -0.908  11.700
   55   2HB   PHE   9          HB1       PHE   9   1.876  -2.592  12.008
   56    HD1  PHE   9           HD1      PHE   9   0.987  -0.889  14.913
   57    HD2  PHE   9           HD2      PHE   9  -0.279  -1.381  10.837
   58    HE1  PHE   9           HE1      PHE   9  -1.314  -0.206  15.541
   59    HE2  PHE   9           HE2      PHE   9  -2.576  -0.698  11.467
   60    HZ   PHE   9           HZ       PHE   9  -3.095  -0.110  13.820
   61    H    GLN  10           HN       GLN  10   4.129  -3.553  14.680
   62    HA   GLN  10           HA       GLN  10   6.765  -2.959  13.685
   63   1HB   GLN  10          HB2       GLN  10   5.512  -5.539  14.685
   64   2HB   GLN  10          HB1       GLN  10   7.243  -5.217  14.581
   65   1HG   GLN  10          HG2       GLN  10   5.519  -3.286  16.087
   66   2HG   GLN  10          HG1       GLN  10   5.937  -4.819  16.852
   67   1HE2  GLN  10          HE21      GLN  10   6.989  -2.557  18.047
   68   2HE2  GLN  10          HE22      GLN  10   8.650  -2.428  17.719
   69    H    SER  11           HN       SER  11   4.821  -5.863  12.888
   70    HA   SER  11           HA       SER  11   6.226  -6.184  10.339
   71   1HB   SER  11          HB2       SER  11   3.868  -7.576  11.647
   72   2HB   SER  11          HB1       SER  11   4.663  -8.141  10.180
   73    HG   SER  11           HG       SER  11   5.905  -9.132  11.568
   74    H    CYS  12           HN       CYS  12   4.702  -6.648   8.353
   75    HA   CYS  12           HA       CYS  12   3.183  -4.201   7.826
   76   1HB   CYS  12          HB2       CYS  12   3.004  -5.234   5.581
   77   2HB   CYS  12          HB1       CYS  12   4.661  -5.308   6.180
   78    H    SER  13           HN       SER  13   2.459  -7.351   9.021
   79    HA   SER  13           HA       SER  13  -0.066  -8.008   8.081
   80   1HB   SER  13          HB2       SER  13   1.581  -8.517  10.343
   81   2HB   SER  13          HB1       SER  13  -0.032  -8.173  10.958
   82    HG   SER  13           HG       SER  13  -0.561  -9.674   9.006
   83    H    GLN  14           HN       GLN  14   0.473  -5.903  10.938
   84    HA   GLN  14           HA       GLN  14  -2.268  -4.980  11.013
   85   1HB   GLN  14          HB2       GLN  14  -0.323  -5.119  12.790
   86   2HB   GLN  14          HB1       GLN  14   0.057  -3.501  12.199
   87   1HG   GLN  14          HG2       GLN  14  -1.572  -2.686  13.519
   88   2HG   GLN  14          HG1       GLN  14  -2.749  -3.572  12.547
   89   1HE2  GLN  14          HE21      GLN  14  -1.215  -3.426  15.650
   90   2HE2  GLN  14          HE22      GLN  14  -1.885  -4.851  16.286
   91    H    CYS  15           HN       CYS  15   0.724  -3.734   9.595
   92    HA   CYS  15           HA       CYS  15   0.078  -1.078   9.030
   93   1HB   CYS  15          HB2       CYS  15   1.515  -3.206   7.423
   94   2HB   CYS  15          HB1       CYS  15   1.540  -1.497   6.988
   95    H    LEU  16           HN       LEU  16  -0.995  -3.996   7.292
   96    HA   LEU  16           HA       LEU  16  -2.697  -2.261   5.542
   97   1HB   LEU  16          HB2       LEU  16  -1.499  -5.028   5.310
   98   2HB   LEU  16          HB1       LEU  16  -2.761  -4.473   4.211
   99    HG   LEU  16           HG       LEU  16  -1.353  -2.529   3.591
  100   1HD1  LEU  16          HD11      LEU  16   1.180  -3.030   4.346
  101   2HD1  LEU  16          HD12      LEU  16   0.339  -3.691   5.749
  102   3HD1  LEU  16          HD13      LEU  16   0.101  -2.004   5.293
  103   1HD2  LEU  16          HD21      LEU  16   0.497  -4.838   3.249
  104   2HD2  LEU  16          HD22      LEU  16  -0.161  -3.738   2.039
  105   3HD2  LEU  16          HD23      LEU  16  -1.153  -5.054   2.666
  106    H    SER  17           HN       SER  17  -2.887  -4.256   8.272
  107    HA   SER  17           HA       SER  17  -5.573  -5.336   7.640
  108   1HB   SER  17          HB2       SER  17  -3.562  -5.599   9.868
  109   2HB   SER  17          HB1       SER  17  -5.190  -6.241  10.043
  110    HG   SER  17           HG       SER  17  -4.639  -7.190   7.834
  111    H    ALA  18           HN       ALA  18  -4.305  -2.464   8.927
  112    HA   ALA  18           HA       ALA  18  -6.964  -1.807  10.111
  113   1HB   ALA  18          HB1       ALA  18  -5.207  -0.627  11.859
  114   2HB   ALA  18          HB2       ALA  18  -4.352  -2.116  11.455
  115   3HB   ALA  18          HB3       ALA  18  -5.978  -2.189  12.133
  116    HA   PRO  19           HA       PRO  19  -4.869   1.517   7.568
  117   1HB   PRO  19          HB2       PRO  19  -6.618   1.542   5.460
  118   2HB   PRO  19          HB1       PRO  19  -5.145   0.555   5.511
  119   1HG   PRO  19          HG2       PRO  19  -7.966  -0.238   5.931
  120   2HG   PRO  19          HG1       PRO  19  -6.626  -1.149   5.229
  121   1HD   PRO  19          HD2       PRO  19  -7.590  -1.499   7.796
  122   2HD   PRO  19          HD1       PRO  19  -5.977  -1.986   7.237
  123    HA   PRO  20           HA       PRO  20  -9.120   3.678   8.046
  124   1HB   PRO  20          HB2       PRO  20 -10.943   2.495   9.703
  125   2HB   PRO  20          HB1       PRO  20 -10.898   2.201   7.953
  126   1HG   PRO  20          HG2       PRO  20  -9.928   0.506  10.181
  127   2HG   PRO  20          HG1       PRO  20 -10.652   0.039   8.637
  128   1HD   PRO  20          HD2       PRO  20  -7.962  -0.061   9.206
  129   2HD   PRO  20          HD1       PRO  20  -8.653   0.014   7.574
  130    H    PHE  21           HN       PHE  21  -7.658   1.834  10.657
  131    HA   PHE  21           HA       PHE  21  -8.224   3.991  12.629
  132   1HB   PHE  21          HB2       PHE  21  -6.692   1.411  13.020
  133   2HB   PHE  21          HB1       PHE  21  -7.551   2.356  14.236
  134    HD1  PHE  21           HD1      PHE  21  -7.759  -0.655  12.809
  135    HD2  PHE  21           HD2      PHE  21 -10.125   2.923  13.037
  136    HE1  PHE  21           HE1      PHE  21  -9.810  -1.984  12.388
  137    HE2  PHE  21           HE2      PHE  21 -12.176   1.594  12.614
  138    HZ   PHE  21           HZ       PHE  21 -12.019  -0.859  12.290
  139    H    VAL  22           HN       VAL  22  -6.065   3.721  10.240
  140    HA   VAL  22           HA       VAL  22  -3.945   5.109  11.803
  141    HB   VAL  22           HB       VAL  22  -2.259   3.576  11.005
  142   1HG1  VAL  22          HG11      VAL  22  -4.596   1.828  11.792
  143   2HG1  VAL  22          HG12      VAL  22  -3.792   2.889  12.948
  144   3HG1  VAL  22          HG13      VAL  22  -2.890   1.592  12.166
  145   1HG2  VAL  22          HG21      VAL  22  -3.174   1.530   9.653
  146   2HG2  VAL  22          HG22      VAL  22  -2.874   3.046   8.802
  147   3HG2  VAL  22          HG23      VAL  22  -4.518   2.605   9.268
  148    H    GLN  23           HN       GLN  23  -2.069   5.532   9.959
  149    HA   GLN  23           HA       GLN  23  -3.434   6.511   7.479
  150   1HB   GLN  23          HB2       GLN  23  -3.349   8.382   8.975
  151   2HB   GLN  23          HB1       GLN  23  -1.699   7.999   9.464
  152   1HG   GLN  23          HG2       GLN  23  -1.052   9.498   7.897
  153   2HG   GLN  23          HG1       GLN  23  -1.485   8.271   6.710
  154   1HE2  GLN  23          HE21      GLN  23  -1.885  11.442   7.089
  155   2HE2  GLN  23          HE22      GLN  23  -3.468  11.649   6.514
  156    H    CYS  24           HN       CYS  24  -0.457   5.485   9.095
  157    HA   CYS  24           HA       CYS  24   1.307   5.881   6.860
  158   1HB   CYS  24          HB2       CYS  24   2.696   5.453   8.585
  159   2HB   CYS  24          HB1       CYS  24   1.337   4.944   9.570
  160    H    GLY  25           HN       GLY  25   2.443   3.888   5.851
  161   1HA   GLY  25          HA2       GLY  25   0.629   1.604   5.350
  162   2HA   GLY  25          HA1       GLY  25   1.067   2.593   3.959
  163    H    TRP  26           HN       TRP  26   1.934   0.186   3.527
  164    HA   TRP  26           HA       TRP  26   4.567  -0.307   4.789
  165   1HB   TRP  26          HB2       TRP  26   2.761  -2.020   4.185
  166   2HB   TRP  26          HB1       TRP  26   3.190  -1.740   2.503
  167    HD1  TRP  26           HD1      TRP  26   5.092  -3.154   1.574
  168    HE1  TRP  26           HE1      TRP  26   6.925  -4.657   2.590
  169    HE3  TRP  26           HE3      TRP  26   4.363  -2.196   6.527
  170    HZ2  TRP  26           HZ2      TRP  26   7.947  -5.357   5.170
  171    HZ3  TRP  26           HZ3      TRP  26   5.778  -3.291   8.248
  172    HH2  TRP  26           HH2      TRP  26   7.569  -4.870   7.573
  173    H    CYS  27           HN       CYS  27   6.550   0.050   3.711
  174    HA   CYS  27           HA       CYS  27   6.396   1.046   0.888
  175   1HB   CYS  27          HB2       CYS  27   6.700   2.626   3.112
  176   2HB   CYS  27          HB1       CYS  27   8.378   2.317   2.666
  177    H    HIS  28           HN       HIS  28   7.367  -0.801   0.020
  178    HA   HIS  28           HA       HIS  28   9.107  -2.236  -0.628
  179   1HB   HIS  28          HB2       HIS  28  10.012   0.381  -0.286
  180   2HB   HIS  28          HB1       HIS  28  11.247  -0.619   0.480
  181    HD1  HIS  28           HD1      HIS  28  12.058  -2.741  -1.082
  182    HD2  HIS  28           HD2      HIS  28  10.235   0.453  -3.043
  183    HE1  HIS  28           HE1      HIS  28  12.671  -2.961  -3.529
  184    H    ASP  29           HN       ASP  29   8.809  -1.558   2.786
  185    HA   ASP  29           HA       ASP  29   9.610  -4.112   3.626
  186   1HB   ASP  29          HB2       ASP  29  11.804  -3.770   2.811
  187   2HB   ASP  29          HB1       ASP  29  11.830  -2.086   3.331
  188    H    LYS  30           HN       LYS  30   9.913  -0.656   4.475
  189    HA   LYS  30           HA       LYS  30   9.329  -1.313   7.322
  190   1HB   LYS  30          HB2       LYS  30  11.248   0.121   6.764
  191   2HB   LYS  30          HB1       LYS  30  10.182   1.230   5.900
  192   1HG   LYS  30          HG2       LYS  30  10.456   2.221   8.035
  193   2HG   LYS  30          HG1       LYS  30   8.884   1.426   8.120
  194   1HD   LYS  30          HD2       LYS  30   9.591  -0.061   9.680
  195   2HD   LYS  30          HD1       LYS  30  11.132  -0.320   8.861
  196   1HE   LYS  30          HE2       LYS  30  11.992   1.808   9.782
  197   2HE   LYS  30          HE1       LYS  30  10.443   2.070  10.611
  198   1HZ   LYS  30          HZ1       LYS  30  11.610   0.949  12.221
  199   2HZ   LYS  30          HZ2       LYS  30  12.489   0.017  11.106
  200   3HZ   LYS  30          HZ3       LYS  30  10.861  -0.350  11.429
  201    H    CYS  31           HN       CYS  31   7.588  -0.224   8.431
  202    HA   CYS  31           HA       CYS  31   5.241   0.289   6.721
  203   1HB   CYS  31          HB2       CYS  31   5.462  -1.054   8.948
  204   2HB   CYS  31          HB1       CYS  31   5.410   0.531   9.723
  205    H    VAL  32           HN       VAL  32   5.339   2.344   5.811
  206    HA   VAL  32           HA       VAL  32   5.237   4.656   7.660
  207    HB   VAL  32           HB       VAL  32   7.116   5.748   6.611
  208   1HG1  VAL  32          HG11      VAL  32   8.934   4.268   7.208
  209   2HG1  VAL  32          HG12      VAL  32   7.904   2.850   7.010
  210   3HG1  VAL  32          HG13      VAL  32   7.609   3.977   8.333
  211   1HG2  VAL  32          HG21      VAL  32   8.190   3.788   4.880
  212   2HG2  VAL  32          HG22      VAL  32   7.495   5.344   4.427
  213   3HG2  VAL  32          HG23      VAL  32   6.476   3.906   4.481
  214    H    ARG  33           HN       ARG  33   4.889   6.727   6.212
  215    HA   ARG  33           HA       ARG  33   3.023   5.971   3.991
  216   1HB   ARG  33          HB2       ARG  33   2.420   7.254   6.247
  217   2HB   ARG  33          HB1       ARG  33   3.017   8.645   5.339
  218   1HG   ARG  33          HG2       ARG  33   1.441   7.444   3.460
  219   2HG   ARG  33          HG1       ARG  33   0.562   7.048   4.935
  220   1HD   ARG  33          HD2       ARG  33  -0.345   9.133   4.726
  221   2HD   ARG  33          HD1       ARG  33   1.225   9.721   5.310
  222    HE   ARG  33           HE       ARG  33   1.858  10.201   3.046
  223   1HH1  ARG  33          HH21      ARG  33   0.728   7.749   1.752
  224   2HH1  ARG  33          HH22      ARG  33  -0.564   8.400   0.801
  225   1HH2  ARG  33          HH11      ARG  33  -0.636  11.426   2.494
  226   2HH2  ARG  33          HH12      ARG  33  -1.336  10.484   1.221
  227    H    SER  34           HN       SER  34   2.851   7.862   2.332
  228    HA   SER  34           HA       SER  34   5.159   8.174   0.831
  229   1HB   SER  34          HB2       SER  34   3.957  10.017  -0.226
  230   2HB   SER  34          HB1       SER  34   2.801   8.772   0.234
  231    HG   SER  34           HG       SER  34   2.514  11.181   0.834
  232    H    GLU  35           HN       GLU  35   4.048  10.349   3.443
  233    HA   GLU  35           HA       GLU  35   6.053  12.353   3.136
  234   1HB   GLU  35          HB2       GLU  35   5.448  12.762   5.584
  235   2HB   GLU  35          HB1       GLU  35   4.087  12.725   4.462
  236   1HG   GLU  35          HG2       GLU  35   3.236  10.819   5.361
  237   2HG   GLU  35          HG1       GLU  35   4.830  10.094   5.572
  238    H    GLU  36           HN       GLU  36   6.330   9.106   4.295
  239    HA   GLU  36           HA       GLU  36   8.996   9.769   5.512
  240   1HB   GLU  36          HB2       GLU  36   6.686   8.197   6.354
  241   2HB   GLU  36          HB1       GLU  36   8.177   7.254   6.405
  242   1HG   GLU  36          HG2       GLU  36   8.162   8.285   8.507
  243   2HG   GLU  36          HG1       GLU  36   9.186   9.361   7.558
  244    H    CYS  37           HN       CYS  37   7.386   8.140   2.987
  245    HA   CYS  37           HA       CYS  37   9.181   5.909   2.593
  246   1HB   CYS  37          HB2       CYS  37   7.125   7.422   0.995
  247   2HB   CYS  37          HB1       CYS  37   8.099   6.174   0.215
  248    H    LEU  38           HN       LEU  38  11.230   5.970   1.764
  249    HA   LEU  38           HA       LEU  38  12.701   8.280   1.176
  250   1HB   LEU  38          HB2       LEU  38  12.851   5.365   0.574
  251   2HB   LEU  38          HB1       LEU  38  13.923   6.416  -0.354
  252    HG   LEU  38           HG       LEU  38  14.902   5.548   1.820
  253   1HD1  LEU  38          HD11      LEU  38  14.894   8.201   0.703
  254   2HD1  LEU  38          HD12      LEU  38  16.210   7.353   1.516
  255   3HD1  LEU  38          HD13      LEU  38  15.064   8.310   2.456
  256   1HD2  LEU  38          HD21      LEU  38  13.070   7.578   3.109
  257   2HD2  LEU  38          HD22      LEU  38  14.079   6.366   3.897
  258   3HD2  LEU  38          HD23      LEU  38  12.636   5.871   3.014
  259    H    SER  39           HN       SER  39  11.664   5.995  -1.379
  260    HA   SER  39           HA       SER  39  11.853   8.051  -3.437
  261   1HB   SER  39          HB2       SER  39  12.286   5.574  -3.687
  262   2HB   SER  39          HB1       SER  39  10.554   5.306  -3.500
  263    HG   SER  39           HG       SER  39  10.914   5.476  -5.665
  264    H    GLY  40           HN       GLY  40   9.619   7.673  -5.003
  265   1HA   GLY  40          HA2       GLY  40   7.490   8.898  -3.319
  266   2HA   GLY  40          HA1       GLY  40   7.616   9.055  -5.072
  267    H    THR  41           HN       THR  41   7.739   6.149  -2.998
  268    HA   THR  41           HA       THR  41   5.337   5.130  -4.480
  269    HB   THR  41           HB       THR  41   7.418   4.146  -5.320
  270    HG1  THR  41           HG1      THR  41   6.158   2.480  -5.395
  271   1HG2  THR  41          HG21      THR  41   8.282   2.612  -3.092
  272   2HG2  THR  41          HG22      THR  41   8.135   4.282  -2.543
  273   3HG2  THR  41          HG23      THR  41   9.161   3.896  -3.925
  274    H    TRP  42           HN       TRP  42   3.779   4.228  -3.190
  275    HA   TRP  42           HA       TRP  42   4.461   3.485  -0.375
  276   1HB   TRP  42          HB2       TRP  42   3.628   5.821  -0.465
  277   2HB   TRP  42          HB1       TRP  42   2.188   5.271  -1.319
  278    HD1  TRP  42           HD1      TRP  42   3.998   4.674   2.043
  279    HE1  TRP  42           HE1      TRP  42   2.214   4.158   3.829
  280    HE3  TRP  42           HE3      TRP  42  -0.195   4.652  -0.877
  281    HZ2  TRP  42           HZ2      TRP  42  -0.617   3.779   3.996
  282    HZ3  TRP  42           HZ3      TRP  42  -2.419   4.202   0.121
  283    HH2  TRP  42           HH2      TRP  42  -2.634   3.769   2.552
  284    H    THR  43           HN       THR  43   3.621   1.433   0.002
  285    HA   THR  43           HA       THR  43   1.359   0.552  -1.756
  286    HB   THR  43           HB       THR  43   3.379  -0.670  -2.200
  287    HG1  THR  43           HG1      THR  43   2.716  -2.747  -1.569
  288   1HG2  THR  43          HG21      THR  43   4.638  -0.117  -0.193
  289   2HG2  THR  43          HG22      THR  43   4.574  -1.871  -0.364
  290   3HG2  THR  43          HG23      THR  43   3.527  -1.060   0.800
  291    H    GLN  44           HN       GLN  44  -0.417  -0.390  -0.840
  292    HA   GLN  44           HA       GLN  44  -0.539  -0.523   2.156
  293   1HB   GLN  44          HB2       GLN  44  -1.876   1.298   1.417
  294   2HB   GLN  44          HB1       GLN  44  -2.449   0.410   0.007
  295   1HG   GLN  44          HG2       GLN  44  -3.828  -1.010   1.348
  296   2HG   GLN  44          HG1       GLN  44  -3.086  -0.435   2.841
  297   1HE2  GLN  44          HE21      GLN  44  -5.589  -0.012   3.211
  298   2HE2  GLN  44          HE22      GLN  44  -6.145   1.526   2.755
  299    H    GLN  45           HN       GLN  45  -0.151  -2.480  -0.344
  300    HA   GLN  45           HA       GLN  45  -1.700  -4.692   0.873
  301   1HB   GLN  45          HB2       GLN  45  -2.627  -5.208  -1.447
  302   2HB   GLN  45          HB1       GLN  45  -3.290  -3.762  -0.685
  303   1HG   GLN  45          HG2       GLN  45  -2.626  -2.568  -2.470
  304   2HG   GLN  45          HG1       GLN  45  -0.954  -2.936  -2.049
  305   1HE2  GLN  45          HE21      GLN  45  -1.758  -2.698  -4.784
  306   2HE2  GLN  45          HE22      GLN  45  -1.647  -4.227  -5.512
  307    H    ILE  46           HN       ILE  46   0.140  -5.965   1.223
  308    HA   ILE  46           HA       ILE  46   1.586  -6.905  -1.198
  309    HB   ILE  46           HB       ILE  46   2.862  -4.983  -0.458
  310   1HG1  ILE  46          HG12      ILE  46   5.000  -6.048   0.123
  311   2HG1  ILE  46          HG11      ILE  46   4.152  -7.522   0.595
  312   1HG2  ILE  46          HG21      ILE  46   1.790  -5.331   1.963
  313   2HG2  ILE  46          HG22      ILE  46   3.307  -4.459   1.746
  314   3HG2  ILE  46          HG23      ILE  46   3.325  -6.148   2.255
  315   1HD1  ILE  46          HD11      ILE  46   3.372  -7.869  -1.673
  316   2HD1  ILE  46          HD12      ILE  46   5.116  -7.616  -1.725
  317   3HD1  ILE  46          HD13      ILE  46   4.021  -6.309  -2.180
  318    H    CYS  47           HN       CYS  47   1.273  -7.134   2.358
  319    HA   CYS  47           HA       CYS  47   2.306  -9.885   2.395
  320   1HB   CYS  47          HB2       CYS  47   0.955  -8.182   4.514
  321   2HB   CYS  47          HB1       CYS  47   1.897  -9.644   4.805
  322    H    LEU  48           HN       LEU  48   1.000 -11.715   3.122
  323    HA   LEU  48           HA       LEU  48  -1.650 -11.797   1.936
  324   1HB   LEU  48          HB2       LEU  48   0.252 -13.595   3.362
  325   2HB   LEU  48          HB1       LEU  48  -1.446 -14.076   3.373
  326    HG   LEU  48           HG       LEU  48  -0.498 -13.157   0.746
  327   1HD1  LEU  48          HD11      LEU  48   0.505 -15.671   0.605
  328   2HD1  LEU  48          HD12      LEU  48   0.956 -15.258   2.259
  329   3HD1  LEU  48          HD13      LEU  48   1.505 -14.253   0.917
  330   1HD2  LEU  48          HD21      LEU  48  -2.099 -14.622   0.047
  331   2HD2  LEU  48          HD22      LEU  48  -2.602 -14.611   1.738
  332   3HD2  LEU  48          HD23      LEU  48  -1.546 -15.891   1.140
  Start of MODEL   11
    1   1H    GLY   1           HT1      GLY   1  -7.379  -3.669  22.987
    2   2H    GLY   1           HT2      GLY   1  -7.914  -4.656  21.713
    3   3H    GLY   1           HT3      GLY   1  -8.436  -3.043  21.817
    4   1HA   GLY   1          HA2       GLY   1  -5.792  -4.092  21.035
    5   2HA   GLY   1          HA1       GLY   1  -6.816  -2.929  20.189
    6    H    SER   2           HN       SER   2  -4.036  -2.527  20.945
    7    HA   SER   2           HA       SER   2  -4.380   0.002  22.456
    8   1HB   SER   2          HB2       SER   2  -3.054  -2.491  23.402
    9   2HB   SER   2          HB1       SER   2  -2.229  -0.977  23.760
   10    HG   SER   2           HG       SER   2  -4.561  -0.365  24.394
   11    H    ALA   3           HN       ALA   3  -3.828   0.499  20.050
   12    HA   ALA   3           HA       ALA   3  -0.845   0.490  19.707
   13   1HB   ALA   3          HB1       ALA   3  -3.139  -0.187  17.930
   14   2HB   ALA   3          HB2       ALA   3  -1.518  -0.883  17.983
   15   3HB   ALA   3          HB3       ALA   3  -1.788   0.667  17.185
   16    H    MET   4           HN       MET   4  -0.140   2.337  18.217
   17    HA   MET   4           HA       MET   4  -1.659   4.806  18.936
   18   1HB   MET   4          HB2       MET   4   1.185   4.033  18.453
   19   2HB   MET   4          HB1       MET   4   0.719   5.686  18.047
   20   1HG   MET   4          HG2       MET   4  -0.353   4.816  20.628
   21   2HG   MET   4          HG1       MET   4   1.410   4.784  20.578
   22   1HE   MET   4          HE1       MET   4  -1.108   8.387  19.256
   23   2HE   MET   4          HE2       MET   4  -1.600   6.695  19.289
   24   3HE   MET   4          HE3       MET   4  -0.413   7.238  18.105
   25    H    GLY   5           HN       GLY   5  -0.831   2.769  16.270
   26   1HA   GLY   5          HA2       GLY   5  -2.489   3.779  14.366
   27   2HA   GLY   5          HA1       GLY   5  -1.126   4.892  14.259
   28    H    CYS   6           HN       CYS   6  -0.823   4.067  12.073
   29    HA   CYS   6           HA       CYS   6  -0.166   1.301  11.538
   30   1HB   CYS   6          HB2       CYS   6  -1.075   2.809   9.862
   31   2HB   CYS   6          HB1       CYS   6   0.271   3.920  10.079
   32    H    ARG   7           HN       ARG   7   1.819   4.272  11.824
   33    HA   ARG   7           HA       ARG   7   4.360   3.041  11.452
   34   1HB   ARG   7          HB2       ARG   7   3.569   5.433  13.148
   35   2HB   ARG   7          HB1       ARG   7   5.175   5.118  12.489
   36   1HG   ARG   7          HG2       ARG   7   3.432   4.916  10.298
   37   2HG   ARG   7          HG1       ARG   7   2.879   6.330  11.195
   38   1HD   ARG   7          HD2       ARG   7   5.155   7.270  11.161
   39   2HD   ARG   7          HD1       ARG   7   5.744   5.834  10.301
   40    HE   ARG   7           HE       ARG   7   4.582   6.565   8.346
   41   1HH1  ARG   7          HH11      ARG   7   3.374   8.134  11.142
   42   2HH1  ARG   7          HH12      ARG   7   2.745   9.498  10.280
   43   1HH2  ARG   7          HH21      ARG   7   3.966   8.454   7.208
   44   2HH2  ARG   7          HH22      ARG   7   3.080   9.680   8.053
   45    H    HIS   8           HN       HIS   8   2.139   2.768  14.052
   46    HA   HIS   8           HA       HIS   8   4.170   2.178  16.111
   47   1HB   HIS   8          HB2       HIS   8   2.247   3.214  16.965
   48   2HB   HIS   8          HB1       HIS   8   1.173   2.328  15.885
   49    HD1  HIS   8           HD1      HIS   8   3.239   1.846  19.029
   50    HD2  HIS   8           HD2      HIS   8   0.226  -0.106  16.910
   51    HE1  HIS   8           HE1      HIS   8   2.466  -0.075  20.488
   52    H    PHE   9           HN       PHE   9   1.880   0.429  14.036
   53    HA   PHE   9           HA       PHE   9   1.945  -2.145  15.092
   54   1HB   PHE   9          HB2       PHE   9   2.144  -1.267  12.191
   55   2HB   PHE   9          HB1       PHE   9   1.568  -2.838  12.742
   56    HD1  PHE   9           HD1      PHE   9  -0.151  -1.131  11.052
   57    HD2  PHE   9           HD2      PHE   9   0.345  -1.178  15.318
   58    HE1  PHE   9           HE1      PHE   9  -2.438  -0.216  11.328
   59    HE2  PHE   9           HE2      PHE   9  -1.942  -0.263  15.590
   60    HZ   PHE   9           HZ       PHE   9  -3.334   0.220  13.598
   61    H    GLN  10           HN       GLN  10   3.273  -4.039  14.370
   62    HA   GLN  10           HA       GLN  10   6.157  -3.302  14.273
   63   1HB   GLN  10          HB2       GLN  10   4.486  -5.624  15.153
   64   2HB   GLN  10          HB1       GLN  10   6.156  -5.940  14.686
   65   1HG   GLN  10          HG2       GLN  10   6.241  -3.626  16.294
   66   2HG   GLN  10          HG1       GLN  10   5.151  -4.740  17.117
   67   1HE2  GLN  10          HE21      GLN  10   6.263  -6.063  18.552
   68   2HE2  GLN  10          HE22      GLN  10   7.839  -6.650  18.321
   69    H    SER  11           HN       SER  11   4.590  -6.224  13.003
   70    HA   SER  11           HA       SER  11   6.234  -6.118  10.583
   71   1HB   SER  11          HB2       SER  11   4.266  -7.944  11.897
   72   2HB   SER  11          HB1       SER  11   4.567  -8.170  10.176
   73    HG   SER  11           HG       SER  11   6.312  -8.406  12.366
   74    H    CYS  12           HN       CYS  12   4.636  -6.942   8.548
   75    HA   CYS  12           HA       CYS  12   3.103  -4.525   7.905
   76   1HB   CYS  12          HB2       CYS  12   3.077  -5.484   5.698
   77   2HB   CYS  12          HB1       CYS  12   4.659  -5.851   6.384
   78    H    SER  13           HN       SER  13   2.398  -7.410   9.494
   79    HA   SER  13           HA       SER  13  -0.088  -8.276   8.516
   80   1HB   SER  13          HB2       SER  13   1.553  -8.531  10.836
   81   2HB   SER  13          HB1       SER  13  -0.094  -8.237  11.385
   82    HG   SER  13           HG       SER  13  -0.486  -9.897   9.536
   83    H    GLN  14           HN       GLN  14   0.343  -5.946  11.222
   84    HA   GLN  14           HA       GLN  14  -2.444  -5.100  11.092
   85   1HB   GLN  14          HB2       GLN  14  -0.866  -5.204  13.100
   86   2HB   GLN  14          HB1       GLN  14  -0.103  -3.749  12.457
   87   1HG   GLN  14          HG2       GLN  14  -1.735  -2.473  13.328
   88   2HG   GLN  14          HG1       GLN  14  -2.955  -3.391  12.448
   89   1HE2  GLN  14          HE21      GLN  14  -2.908  -5.880  13.622
   90   2HE2  GLN  14          HE22      GLN  14  -3.236  -5.772  15.284
   91    H    CYS  15           HN       CYS  15   0.644  -3.847   9.891
   92    HA   CYS  15           HA       CYS  15   0.038  -1.210   9.222
   93   1HB   CYS  15          HB2       CYS  15   1.637  -3.419   7.976
   94   2HB   CYS  15          HB1       CYS  15   1.514  -1.876   7.132
   95    H    LEU  16           HN       LEU  16  -0.986  -4.168   7.529
   96    HA   LEU  16           HA       LEU  16  -2.559  -2.468   5.627
   97   1HB   LEU  16          HB2       LEU  16  -1.392  -5.253   5.560
   98   2HB   LEU  16          HB1       LEU  16  -2.605  -4.739   4.387
   99    HG   LEU  16           HG       LEU  16  -1.163  -2.816   3.765
  100   1HD1  LEU  16          HD11      LEU  16   1.328  -3.258   4.614
  101   2HD1  LEU  16          HD12      LEU  16   0.474  -3.963   5.987
  102   3HD1  LEU  16          HD13      LEU  16   0.201  -2.277   5.549
  103   1HD2  LEU  16          HD21      LEU  16   0.664  -5.164   3.556
  104   2HD2  LEU  16          HD22      LEU  16   0.092  -4.070   2.297
  105   3HD2  LEU  16          HD23      LEU  16  -0.961  -5.352   2.897
  106    H    SER  17           HN       SER  17  -2.874  -4.560   8.330
  107    HA   SER  17           HA       SER  17  -5.601  -5.463   7.634
  108   1HB   SER  17          HB2       SER  17  -3.610  -5.880   9.848
  109   2HB   SER  17          HB1       SER  17  -5.293  -6.340  10.097
  110    HG   SER  17           HG       SER  17  -5.131  -7.824   8.530
  111    H    ALA  18           HN       ALA  18  -4.209  -2.682   8.962
  112    HA   ALA  18           HA       ALA  18  -6.848  -1.858  10.079
  113   1HB   ALA  18          HB1       ALA  18  -4.391  -2.465  11.519
  114   2HB   ALA  18          HB2       ALA  18  -6.006  -2.157  12.156
  115   3HB   ALA  18          HB3       ALA  18  -4.920  -0.809  11.817
  116    HA   PRO  19           HA       PRO  19  -4.375   1.323   7.646
  117   1HB   PRO  19          HB2       PRO  19  -5.822   1.291   5.324
  118   2HB   PRO  19          HB1       PRO  19  -4.390   0.283   5.607
  119   1HG   PRO  19          HG2       PRO  19  -7.262  -0.447   5.685
  120   2HG   PRO  19          HG1       PRO  19  -5.864  -1.401   5.177
  121   1HD   PRO  19          HD2       PRO  19  -7.139  -1.669   7.609
  122   2HD   PRO  19          HD1       PRO  19  -5.472  -2.179   7.271
  123    HA   PRO  20           HA       PRO  20  -8.654   3.502   7.433
  124   1HB   PRO  20          HB2       PRO  20 -10.653   2.426   8.960
  125   2HB   PRO  20          HB1       PRO  20 -10.418   2.023   7.248
  126   1HG   PRO  20          HG2       PRO  20  -9.687   0.477   9.675
  127   2HG   PRO  20          HG1       PRO  20 -10.260  -0.091   8.099
  128   1HD   PRO  20          HD2       PRO  20  -7.652  -0.162   8.928
  129   2HD   PRO  20          HD1       PRO  20  -8.164  -0.160   7.232
  130    H    PHE  21           HN       PHE  21  -7.609   1.826  10.358
  131    HA   PHE  21           HA       PHE  21  -8.334   4.147  12.061
  132   1HB   PHE  21          HB2       PHE  21  -6.911   1.576  12.803
  133   2HB   PHE  21          HB1       PHE  21  -7.843   2.637  13.860
  134    HD1  PHE  21           HD1      PHE  21  -8.033  -0.459  12.538
  135    HD2  PHE  21           HD2      PHE  21 -10.281   3.200  12.480
  136    HE1  PHE  21           HE1      PHE  21 -10.095  -1.735  12.015
  137    HE2  PHE  21           HE2      PHE  21 -12.342   1.926  11.958
  138    HZ   PHE  21           HZ       PHE  21 -12.250  -0.542  11.725
  139    H    VAL  22           HN       VAL  22  -6.009   3.875   9.936
  140    HA   VAL  22           HA       VAL  22  -3.998   5.239  11.654
  141    HB   VAL  22           HB       VAL  22  -2.247   3.750  10.899
  142   1HG1  VAL  22          HG11      VAL  22  -3.024   1.607  11.846
  143   2HG1  VAL  22          HG12      VAL  22  -4.696   2.152  11.711
  144   3HG1  VAL  22          HG13      VAL  22  -3.589   2.966  12.817
  145   1HG2  VAL  22          HG21      VAL  22  -2.614   3.081   8.729
  146   2HG2  VAL  22          HG22      VAL  22  -4.357   2.943   8.961
  147   3HG2  VAL  22          HG23      VAL  22  -3.288   1.662   9.531
  148    H    GLN  23           HN       GLN  23  -1.992   5.265   9.596
  149    HA   GLN  23           HA       GLN  23  -3.295   6.500   7.228
  150   1HB   GLN  23          HB2       GLN  23  -3.203   8.435   8.502
  151   2HB   GLN  23          HB1       GLN  23  -1.831   7.867   9.449
  152   1HG   GLN  23          HG2       GLN  23  -0.381   8.183   7.413
  153   2HG   GLN  23          HG1       GLN  23  -1.763   8.921   6.605
  154   1HE2  GLN  23          HE21      GLN  23   0.507   9.327   9.323
  155   2HE2  GLN  23          HE22      GLN  23   0.208  10.982   9.544
  156    H    CYS  24           HN       CYS  24  -0.293   5.557   8.896
  157    HA   CYS  24           HA       CYS  24   1.466   5.860   6.651
  158   1HB   CYS  24          HB2       CYS  24   2.866   5.453   8.372
  159   2HB   CYS  24          HB1       CYS  24   1.495   5.040   9.384
  160    H    GLY  25           HN       GLY  25   2.594   3.877   5.648
  161   1HA   GLY  25          HA2       GLY  25   0.813   1.550   5.247
  162   2HA   GLY  25          HA1       GLY  25   1.170   2.528   3.824
  163    H    TRP  26           HN       TRP  26   2.045   0.133   3.402
  164    HA   TRP  26           HA       TRP  26   4.739  -0.317   4.529
  165   1HB   TRP  26          HB2       TRP  26   2.805  -1.989   3.910
  166   2HB   TRP  26          HB1       TRP  26   3.436  -1.829   2.274
  167    HD1  TRP  26           HD1      TRP  26   5.520  -3.192   1.669
  168    HE1  TRP  26           HE1      TRP  26   7.130  -4.723   2.978
  169    HE3  TRP  26           HE3      TRP  26   3.939  -2.261   6.423
  170    HZ2  TRP  26           HZ2      TRP  26   7.669  -5.458   5.692
  171    HZ3  TRP  26           HZ3      TRP  26   5.009  -3.389   8.354
  172    HH2  TRP  26           HH2      TRP  26   6.873  -4.982   7.995
  173    H    CYS  27           HN       CYS  27   6.636   0.207   3.423
  174    HA   CYS  27           HA       CYS  27   6.359   1.085   0.570
  175   1HB   CYS  27          HB2       CYS  27   6.424   2.884   2.428
  176   2HB   CYS  27          HB1       CYS  27   8.120   2.438   2.614
  177    H    HIS  28           HN       HIS  28   7.408  -0.696  -0.314
  178    HA   HIS  28           HA       HIS  28   9.227  -1.974  -1.055
  179   1HB   HIS  28          HB2       HIS  28  10.482   0.464   0.181
  180   2HB   HIS  28          HB1       HIS  28  11.478  -0.795  -0.546
  181    HD1  HIS  28           HD1      HIS  28  11.900  -0.474  -2.971
  182    HD2  HIS  28           HD2      HIS  28   8.312   1.298  -1.807
  183    HE1  HIS  28           HE1      HIS  28  10.956   0.652  -5.034
  184    H    ASP  29           HN       ASP  29   8.819  -1.541   2.372
  185    HA   ASP  29           HA       ASP  29   9.789  -4.128   3.012
  186   1HB   ASP  29          HB2       ASP  29  11.978  -3.359   4.105
  187   2HB   ASP  29          HB1       ASP  29  11.973  -3.402   2.346
  188    H    LYS  30           HN       LYS  30   9.955  -0.795   4.332
  189    HA   LYS  30           HA       LYS  30   9.025  -1.865   6.958
  190   1HB   LYS  30          HB2       LYS  30  11.122  -0.360   6.440
  191   2HB   LYS  30          HB1       LYS  30   9.938   0.946   6.417
  192   1HG   LYS  30          HG2       LYS  30   9.351  -0.651   8.690
  193   2HG   LYS  30          HG1       LYS  30  11.095  -0.378   8.691
  194   1HD   LYS  30          HD2       LYS  30   9.959   2.091   7.966
  195   2HD   LYS  30          HD1       LYS  30   8.958   1.490   9.287
  196   1HE   LYS  30          HE2       LYS  30  11.895   1.186   9.661
  197   2HE   LYS  30          HE1       LYS  30  11.268   2.844   9.718
  198   1HZ   LYS  30          HZ1       LYS  30  10.741   2.272  11.822
  199   2HZ   LYS  30          HZ2       LYS  30  10.737   0.605  11.496
  200   3HZ   LYS  30          HZ3       LYS  30   9.389   1.556  11.090
  201    H    CYS  31           HN       CYS  31   7.540  -0.302   8.171
  202    HA   CYS  31           HA       CYS  31   5.236   0.346   6.433
  203   1HB   CYS  31          HB2       CYS  31   5.452  -0.895   8.798
  204   2HB   CYS  31          HB1       CYS  31   5.285   0.757   9.394
  205    H    VAL  32           HN       VAL  32   5.545   2.352   5.471
  206    HA   VAL  32           HA       VAL  32   5.794   4.697   7.286
  207    HB   VAL  32           HB       VAL  32   7.674   5.556   6.081
  208   1HG1  VAL  32          HG11      VAL  32   8.162   2.570   6.239
  209   2HG1  VAL  32          HG12      VAL  32   8.129   3.625   7.651
  210   3HG1  VAL  32          HG13      VAL  32   9.355   3.859   6.406
  211   1HG2  VAL  32          HG21      VAL  32   6.911   5.033   3.819
  212   2HG2  VAL  32          HG22      VAL  32   7.153   3.311   4.106
  213   3HG2  VAL  32          HG23      VAL  32   8.541   4.398   4.041
  214    H    ARG  33           HN       ARG  33   5.488   6.771   5.816
  215    HA   ARG  33           HA       ARG  33   3.458   6.124   3.706
  216   1HB   ARG  33          HB2       ARG  33   2.934   7.251   6.102
  217   2HB   ARG  33          HB1       ARG  33   3.332   8.706   5.185
  218   1HG   ARG  33          HG2       ARG  33   1.731   7.233   3.443
  219   2HG   ARG  33          HG1       ARG  33   0.964   7.014   5.014
  220   1HD   ARG  33          HD2       ARG  33   0.706   9.377   5.328
  221   2HD   ARG  33          HD1       ARG  33   1.785   9.739   3.964
  222    HE   ARG  33           HE       ARG  33  -0.811   8.291   3.584
  223   1HH1  ARG  33          HH21      ARG  33   1.549   8.957   1.560
  224   2HH1  ARG  33          HH22      ARG  33   0.758  10.182   0.625
  225   1HH2  ARG  33          HH11      ARG  33  -1.842  10.602   2.882
  226   2HH2  ARG  33          HH12      ARG  33  -1.163  11.112   1.372
  227    H    SER  34           HN       SER  34   3.138   8.184   2.275
  228    HA   SER  34           HA       SER  34   5.399   8.657   0.709
  229   1HB   SER  34          HB2       SER  34   3.239   9.216  -0.098
  230   2HB   SER  34          HB1       SER  34   2.900  10.248   1.289
  231    HG   SER  34           HG       SER  34   4.449  10.726  -0.988
  232    H    GLU  35           HN       GLU  35   4.740  10.044   3.834
  233    HA   GLU  35           HA       GLU  35   6.595  12.312   3.364
  234   1HB   GLU  35          HB2       GLU  35   4.327  11.731   4.991
  235   2HB   GLU  35          HB1       GLU  35   5.682  12.068   6.070
  236   1HG   GLU  35          HG2       GLU  35   6.150  14.127   4.651
  237   2HG   GLU  35          HG1       GLU  35   4.600  13.832   3.862
  238    H    GLU  36           HN       GLU  36   6.848   9.081   4.362
  239    HA   GLU  36           HA       GLU  36   9.293   9.715   5.988
  240   1HB   GLU  36          HB2       GLU  36   7.036   7.839   6.254
  241   2HB   GLU  36          HB1       GLU  36   8.614   7.099   6.525
  242   1HG   GLU  36          HG2       GLU  36   9.097   8.464   8.348
  243   2HG   GLU  36          HG1       GLU  36   8.005   9.741   7.811
  244    H    CYS  37           HN       CYS  37   7.957   7.742   3.361
  245    HA   CYS  37           HA       CYS  37  10.359   6.167   2.938
  246   1HB   CYS  37          HB2       CYS  37   7.771   6.010   2.173
  247   2HB   CYS  37          HB1       CYS  37   8.455   6.734   0.716
  248    H    LEU  38           HN       LEU  38  11.765   6.400   1.003
  249    HA   LEU  38           HA       LEU  38  12.702   9.115   0.639
  250   1HB   LEU  38          HB2       LEU  38  13.306   6.381  -0.457
  251   2HB   LEU  38          HB1       LEU  38  14.061   7.797  -1.189
  252    HG   LEU  38           HG       LEU  38  14.406   8.284   1.499
  253   1HD1  LEU  38          HD11      LEU  38  15.496   5.608   1.524
  254   2HD1  LEU  38          HD12      LEU  38  13.750   5.544   1.282
  255   3HD1  LEU  38          HD13      LEU  38  14.416   6.372   2.689
  256   1HD2  LEU  38          HD21      LEU  38  15.980   8.248  -0.619
  257   2HD2  LEU  38          HD22      LEU  38  16.433   6.658  -0.006
  258   3HD2  LEU  38          HD23      LEU  38  16.676   8.090   0.994
  259    H    SER  39           HN       SER  39  11.679   6.814  -1.910
  260    HA   SER  39           HA       SER  39  11.045   8.983  -3.749
  261   1HB   SER  39          HB2       SER  39  11.166   6.029  -3.685
  262   2HB   SER  39          HB1       SER  39   9.999   6.694  -4.825
  263    HG   SER  39           HG       SER  39  11.884   6.671  -5.919
  264    H    GLY  40           HN       GLY  40   8.768   8.699  -4.930
  265   1HA   GLY  40          HA2       GLY  40   6.730   9.105  -2.837
  266   2HA   GLY  40          HA1       GLY  40   6.526   9.431  -4.559
  267    H    THR  41           HN       THR  41   7.682   6.409  -3.098
  268    HA   THR  41           HA       THR  41   5.473   4.984  -4.504
  269    HB   THR  41           HB       THR  41   7.727   4.247  -4.981
  270    HG1  THR  41           HG1      THR  41   6.367   2.528  -4.780
  271   1HG2  THR  41          HG21      THR  41   8.912   3.249  -2.774
  272   2HG2  THR  41          HG22      THR  41   8.014   4.578  -2.042
  273   3HG2  THR  41          HG23      THR  41   9.175   4.901  -3.330
  274    H    TRP  42           HN       TRP  42   3.832   4.027  -3.332
  275    HA   TRP  42           HA       TRP  42   4.261   3.406  -0.457
  276   1HB   TRP  42          HB2       TRP  42   3.459   5.784  -0.713
  277   2HB   TRP  42          HB1       TRP  42   1.994   5.151  -1.467
  278    HD1  TRP  42           HD1      TRP  42   3.982   4.745   1.818
  279    HE1  TRP  42           HE1      TRP  42   2.310   4.270   3.718
  280    HE3  TRP  42           HE3      TRP  42  -0.357   4.555  -0.866
  281    HZ2  TRP  42           HZ2      TRP  42  -0.509   3.871   4.055
  282    HZ3  TRP  42           HZ3      TRP  42  -2.518   4.126   0.267
  283    HH2  TRP  42           HH2      TRP  42  -2.602   3.784   2.721
  284    H    THR  43           HN       THR  43   3.237   1.501   0.040
  285    HA   THR  43           HA       THR  43   0.934   0.634  -1.668
  286    HB   THR  43           HB       THR  43   2.827  -0.520  -2.543
  287    HG1  THR  43           HG1      THR  43   2.518  -2.685  -1.609
  288   1HG2  THR  43          HG21      THR  43   3.624  -1.066   0.329
  289   2HG2  THR  43          HG22      THR  43   4.392   0.106  -0.742
  290   3HG2  THR  43          HG23      THR  43   4.494  -1.618  -1.101
  291    H    GLN  44           HN       GLN  44  -0.713  -0.344  -0.497
  292    HA   GLN  44           HA       GLN  44  -0.217  -0.815   2.428
  293   1HB   GLN  44          HB2       GLN  44  -2.569  -0.090   2.708
  294   2HB   GLN  44          HB1       GLN  44  -1.630   1.153   1.878
  295   1HG   GLN  44          HG2       GLN  44  -2.488   0.426  -0.280
  296   2HG   GLN  44          HG1       GLN  44  -3.331  -0.927   0.475
  297   1HE2  GLN  44          HE21      GLN  44  -4.408   0.409   2.765
  298   2HE2  GLN  44          HE22      GLN  44  -5.542   1.555   2.235
  299    H    GLN  45           HN       GLN  45  -0.100  -2.679   0.007
  300    HA   GLN  45           HA       GLN  45  -1.729  -4.838   1.200
  301   1HB   GLN  45          HB2       GLN  45  -2.412  -3.296  -1.214
  302   2HB   GLN  45          HB1       GLN  45  -2.423  -5.042  -1.466
  303   1HG   GLN  45          HG2       GLN  45  -3.911  -5.317   0.484
  304   2HG   GLN  45          HG1       GLN  45  -3.908  -3.570   0.730
  305   1HE2  GLN  45          HE21      GLN  45  -5.000  -2.226  -0.908
  306   2HE2  GLN  45          HE22      GLN  45  -6.127  -2.910  -1.977
  307    H    ILE  46           HN       ILE  46   0.047  -6.211   1.434
  308    HA   ILE  46           HA       ILE  46   1.328  -7.174  -1.066
  309    HB   ILE  46           HB       ILE  46   2.608  -5.211  -0.091
  310   1HG1  ILE  46          HG12      ILE  46   4.660  -7.149   0.258
  311   2HG1  ILE  46          HG11      ILE  46   3.546  -7.787  -0.952
  312   1HG2  ILE  46          HG21      ILE  46   2.083  -6.009   2.304
  313   2HG2  ILE  46          HG22      ILE  46   3.719  -5.430   1.994
  314   3HG2  ILE  46          HG23      ILE  46   3.399  -7.162   2.075
  315   1HD1  ILE  46          HD11      ILE  46   5.041  -6.485  -2.225
  316   2HD1  ILE  46          HD12      ILE  46   5.103  -5.207  -1.011
  317   3HD1  ILE  46          HD13      ILE  46   3.657  -5.416  -2.000
  318    H    CYS  47           HN       CYS  47   0.942  -7.480   2.458
  319    HA   CYS  47           HA       CYS  47   1.434 -10.428   2.169
  320   1HB   CYS  47          HB2       CYS  47   2.226 -10.235   4.551
  321   2HB   CYS  47          HB1       CYS  47   3.198  -9.300   3.415
  322    H    LEU  48           HN       LEU  48   0.118 -11.780   3.610
  323    HA   LEU  48           HA       LEU  48  -2.575 -10.623   4.065
  324   1HB   LEU  48          HB2       LEU  48  -1.470 -13.445   4.283
  325   2HB   LEU  48          HB1       LEU  48  -3.175 -13.012   4.361
  326    HG   LEU  48           HG       LEU  48  -3.016 -13.581   2.126
  327   1HD1  LEU  48          HD11      LEU  48  -1.997 -10.728   1.986
  328   2HD1  LEU  48          HD12      LEU  48  -3.676 -11.161   2.311
  329   3HD1  LEU  48          HD13      LEU  48  -2.942 -11.580   0.763
  330   1HD2  LEU  48          HD21      LEU  48  -1.009 -14.077   1.248
  331   2HD2  LEU  48          HD22      LEU  48  -0.235 -13.327   2.644
  332   3HD2  LEU  48          HD23      LEU  48  -0.581 -12.368   1.205
  Start of MODEL   12
    1   1H    GLY   1           HT1      GLY   1  -0.831   9.061  21.476
    2   2H    GLY   1           HT2      GLY   1  -2.340   8.283  21.531
    3   3H    GLY   1           HT3      GLY   1  -2.083   9.569  20.453
    4   1HA   GLY   1          HA2       GLY   1  -1.615   8.051  18.917
    5   2HA   GLY   1          HA1       GLY   1  -0.109   7.811  19.803
    6    H    SER   2           HN       SER   2   0.235   5.685  20.184
    7    HA   SER   2           HA       SER   2  -0.186   3.429  20.744
    8   1HB   SER   2          HB2       SER   2  -0.899   4.172  22.852
    9   2HB   SER   2          HB1       SER   2  -2.270   5.054  22.185
   10    HG   SER   2           HG       SER   2  -3.079   3.206  23.085
   11    H    ALA   3           HN       ALA   3  -0.805   2.122  19.065
   12    HA   ALA   3           HA       ALA   3  -2.252   0.984  17.574
   13   1HB   ALA   3          HB1       ALA   3  -3.671   1.305  19.778
   14   2HB   ALA   3          HB2       ALA   3  -4.470   0.795  18.290
   15   3HB   ALA   3          HB3       ALA   3  -4.550   2.481  18.801
   16    H    MET   4           HN       MET   4  -3.796   4.171  18.139
   17    HA   MET   4           HA       MET   4  -4.708   4.710  15.564
   18   1HB   MET   4          HB2       MET   4  -4.299   6.057  18.002
   19   2HB   MET   4          HB1       MET   4  -3.509   7.056  16.783
   20   1HG   MET   4          HG2       MET   4  -5.494   7.739  15.964
   21   2HG   MET   4          HG1       MET   4  -6.055   6.076  15.803
   22   1HE   MET   4          HE1       MET   4  -6.475   5.260  19.508
   23   2HE   MET   4          HE2       MET   4  -5.992   4.739  17.895
   24   3HE   MET   4          HE3       MET   4  -7.702   4.883  18.290
   25    H    GLY   5           HN       GLY   5  -3.169   3.847  14.034
   26   1HA   GLY   5          HA2       GLY   5  -1.668   5.136  12.382
   27   2HA   GLY   5          HA1       GLY   5  -0.628   5.398  13.784
   28    H    CYS   6           HN       CYS   6  -0.559   3.670  11.141
   29    HA   CYS   6           HA       CYS   6  -0.046   1.003  12.313
   30   1HB   CYS   6          HB2       CYS   6   0.425   0.472   9.851
   31   2HB   CYS   6          HB1       CYS   6  -1.213   0.990  10.235
   32    H    ARG   7           HN       ARG   7   1.725   3.830  11.885
   33    HA   ARG   7           HA       ARG   7   4.276   2.763  11.044
   34   1HB   ARG   7          HB2       ARG   7   3.264   5.211  11.290
   35   2HB   ARG   7          HB1       ARG   7   3.994   5.111  12.892
   36   1HG   ARG   7          HG2       ARG   7   6.003   5.574  11.992
   37   2HG   ARG   7          HG1       ARG   7   5.896   4.101  11.027
   38   1HD   ARG   7          HD2       ARG   7   6.155   5.885   9.441
   39   2HD   ARG   7          HD1       ARG   7   4.428   5.479   9.403
   40    HE   ARG   7           HE       ARG   7   5.040   7.470  11.432
   41   1HH1  ARG   7          HH21      ARG   7   3.019   6.869   8.926
   42   2HH1  ARG   7          HH22      ARG   7   3.024   8.465   8.256
   43   1HH2  ARG   7          HH11      ARG   7   5.667   9.564  10.212
   44   2HH2  ARG   7          HH12      ARG   7   4.524   9.990   8.983
   45    H    HIS   8           HN       HIS   8   2.489   2.658  14.004
   46    HA   HIS   8           HA       HIS   8   4.894   1.976  15.616
   47   1HB   HIS   8          HB2       HIS   8   3.680   3.110  17.157
   48   2HB   HIS   8          HB1       HIS   8   2.355   3.260  16.010
   49    HD1  HIS   8           HD1      HIS   8   3.515   1.269  18.955
   50    HD2  HIS   8           HD2      HIS   8   0.289   1.285  16.316
   51    HE1  HIS   8           HE1      HIS   8   1.763  -0.262  19.957
   52    H    PHE   9           HN       PHE   9   2.367   0.472  13.846
   53    HA   PHE   9           HA       PHE   9   1.812  -1.890  15.282
   54   1HB   PHE   9          HB2       PHE   9   2.096  -1.203  12.354
   55   2HB   PHE   9          HB1       PHE   9   1.589  -2.809  12.869
   56    HD1  PHE   9           HD1      PHE   9  -0.414  -1.830  11.346
   57    HD2  PHE   9           HD2      PHE   9   0.508  -0.572  15.346
   58    HE1  PHE   9           HE1      PHE   9  -2.737  -1.015  11.623
   59    HE2  PHE   9           HE2      PHE   9  -1.815   0.245  15.624
   60    HZ   PHE   9           HZ       PHE   9  -3.438   0.023  13.764
   61    H    GLN  10           HN       GLN  10   2.679  -4.132  14.227
   62    HA   GLN  10           HA       GLN  10   5.585  -4.165  14.794
   63   1HB   GLN  10          HB2       GLN  10   3.352  -6.171  14.497
   64   2HB   GLN  10          HB1       GLN  10   5.032  -6.706  14.529
   65   1HG   GLN  10          HG2       GLN  10   4.681  -4.819  16.642
   66   2HG   GLN  10          HG1       GLN  10   3.366  -5.990  16.742
   67   1HE2  GLN  10          HE21      GLN  10   5.013  -6.278  18.824
   68   2HE2  GLN  10          HE22      GLN  10   6.113  -7.556  18.624
   69    H    SER  11           HN       SER  11   4.088  -6.417  12.561
   70    HA   SER  11           HA       SER  11   6.084  -5.657  10.494
   71   1HB   SER  11          HB2       SER  11   4.266  -7.895   9.961
   72   2HB   SER  11          HB1       SER  11   6.026  -7.877  10.022
   73    HG   SER  11           HG       SER  11   4.432  -8.908  11.782
   74    H    CYS  12           HN       CYS  12   4.400  -6.801   8.350
   75    HA   CYS  12           HA       CYS  12   2.841  -4.364   7.735
   76   1HB   CYS  12          HB2       CYS  12   2.818  -5.311   5.494
   77   2HB   CYS  12          HB1       CYS  12   4.444  -5.486   6.153
   78    H    SER  13           HN       SER  13   2.191  -7.205   9.343
   79    HA   SER  13           HA       SER  13  -0.301  -8.055   8.192
   80   1HB   SER  13          HB2       SER  13   1.330  -9.109   9.956
   81   2HB   SER  13          HB1       SER  13   0.380  -8.195  11.124
   82    HG   SER  13           HG       SER  13  -0.205 -10.515  10.095
   83    H    GLN  14           HN       GLN  14   0.257  -6.147  11.184
   84    HA   GLN  14           HA       GLN  14  -2.494  -5.308  11.411
   85   1HB   GLN  14          HB2       GLN  14  -0.533  -5.464  13.131
   86   2HB   GLN  14          HB1       GLN  14  -0.118  -3.850  12.555
   87   1HG   GLN  14          HG2       GLN  14  -1.696  -2.997  13.910
   88   2HG   GLN  14          HG1       GLN  14  -2.919  -3.861  12.978
   89   1HE2  GLN  14          HE21      GLN  14  -4.212  -5.071  14.361
   90   2HE2  GLN  14          HE22      GLN  14  -3.660  -5.922  15.721
   91    H    CYS  15           HN       CYS  15   0.377  -3.911   9.890
   92    HA   CYS  15           HA       CYS  15  -0.438  -1.247   9.497
   93   1HB   CYS  15          HB2       CYS  15   1.264  -3.247   8.055
   94   2HB   CYS  15          HB1       CYS  15   0.944  -1.702   7.267
   95    H    LEU  16           HN       LEU  16  -1.000  -4.022   7.290
   96    HA   LEU  16           HA       LEU  16  -2.919  -2.386   5.733
   97   1HB   LEU  16          HB2       LEU  16  -1.540  -5.050   5.462
   98   2HB   LEU  16          HB1       LEU  16  -2.902  -4.645   4.418
   99    HG   LEU  16           HG       LEU  16  -1.752  -2.617   3.660
  100   1HD1  LEU  16          HD11      LEU  16  -0.466  -1.908   5.507
  101   2HD1  LEU  16          HD12      LEU  16   0.746  -2.473   4.357
  102   3HD1  LEU  16          HD13      LEU  16   0.273  -3.495   5.715
  103   1HD2  LEU  16          HD21      LEU  16  -0.146  -3.683   2.275
  104   2HD2  LEU  16          HD22      LEU  16  -1.300  -4.959   2.664
  105   3HD2  LEU  16          HD23      LEU  16   0.245  -4.879   3.511
  106    H    SER  17           HN       SER  17  -3.056  -4.346   8.461
  107    HA   SER  17           HA       SER  17  -5.695  -5.547   7.820
  108   1HB   SER  17          HB2       SER  17  -3.696  -5.702  10.074
  109   2HB   SER  17          HB1       SER  17  -5.300  -6.408  10.233
  110    HG   SER  17           HG       SER  17  -4.864  -7.749   8.529
  111    H    ALA  18           HN       ALA  18  -4.478  -2.649   9.087
  112    HA   ALA  18           HA       ALA  18  -7.158  -1.978  10.215
  113   1HB   ALA  18          HB1       ALA  18  -4.451  -1.873  11.554
  114   2HB   ALA  18          HB2       ALA  18  -5.935  -2.616  12.150
  115   3HB   ALA  18          HB3       ALA  18  -5.783  -0.859  12.109
  116    HA   PRO  19           HA       PRO  19  -5.116   1.256   7.558
  117   1HB   PRO  19          HB2       PRO  19  -7.049   1.378   5.626
  118   2HB   PRO  19          HB1       PRO  19  -5.652   0.287   5.558
  119   1HG   PRO  19          HG2       PRO  19  -8.468  -0.293   6.260
  120   2HG   PRO  19          HG1       PRO  19  -7.273  -1.304   5.444
  121   1HD   PRO  19          HD2       PRO  19  -8.002  -1.558   8.098
  122   2HD   PRO  19          HD1       PRO  19  -6.490  -2.168   7.394
  123    HA   PRO  20           HA       PRO  20  -9.178   3.688   8.355
  124   1HB   PRO  20          HB2       PRO  20 -10.855   2.686  10.266
  125   2HB   PRO  20          HB1       PRO  20 -11.033   2.329   8.537
  126   1HG   PRO  20          HG2       PRO  20  -9.886   0.660  10.705
  127   2HG   PRO  20          HG1       PRO  20 -10.838   0.182   9.294
  128   1HD   PRO  20          HD2       PRO  20  -8.121  -0.090   9.495
  129   2HD   PRO  20          HD1       PRO  20  -9.002   0.020   7.960
  130    H    PHE  21           HN       PHE  21  -7.638   1.841  10.942
  131    HA   PHE  21           HA       PHE  21  -7.748   4.188  12.768
  132   1HB   PHE  21          HB2       PHE  21  -6.567   1.436  13.218
  133   2HB   PHE  21          HB1       PHE  21  -7.096   2.590  14.441
  134    HD1  PHE  21           HD1      PHE  21  -7.989  -0.357  12.849
  135    HD2  PHE  21           HD2      PHE  21  -9.661   3.434  13.981
  136    HE1  PHE  21           HE1      PHE  21 -10.262  -1.347  12.805
  137    HE2  PHE  21           HE2      PHE  21 -11.935   2.444  13.935
  138    HZ   PHE  21           HZ       PHE  21 -12.235   0.053  13.349
  139    H    VAL  22           HN       VAL  22  -5.933   3.656  10.225
  140    HA   VAL  22           HA       VAL  22  -3.445   4.669  11.524
  141    HB   VAL  22           HB       VAL  22  -2.120   2.971  10.437
  142   1HG1  VAL  22          HG11      VAL  22  -4.617   1.735  11.636
  143   2HG1  VAL  22          HG12      VAL  22  -3.192   2.263  12.530
  144   3HG1  VAL  22          HG13      VAL  22  -3.078   0.904  11.413
  145   1HG2  VAL  22          HG21      VAL  22  -3.326   1.201   9.056
  146   2HG2  VAL  22          HG22      VAL  22  -3.219   2.797   8.312
  147   3HG2  VAL  22          HG23      VAL  22  -4.726   2.274   9.065
  148    H    GLN  23           HN       GLN  23  -1.828   5.248   9.660
  149    HA   GLN  23           HA       GLN  23  -3.282   6.200   7.232
  150   1HB   GLN  23          HB2       GLN  23  -2.694   8.416   7.621
  151   2HB   GLN  23          HB1       GLN  23  -2.899   7.855   9.278
  152   1HG   GLN  23          HG2       GLN  23  -0.321   7.223   9.008
  153   2HG   GLN  23          HG1       GLN  23  -0.383   8.495   7.787
  154   1HE2  GLN  23          HE21      GLN  23  -0.345   7.874  11.212
  155   2HE2  GLN  23          HE22      GLN  23  -0.490   9.488  11.715
  156    H    CYS  24           HN       CYS  24  -0.248   5.257   8.779
  157    HA   CYS  24           HA       CYS  24   1.442   5.752   6.497
  158   1HB   CYS  24          HB2       CYS  24   3.100   4.841   7.866
  159   2HB   CYS  24          HB1       CYS  24   1.918   5.374   9.056
  160    H    GLY  25           HN       GLY  25   2.687   3.787   5.544
  161   1HA   GLY  25          HA2       GLY  25   0.977   1.421   5.065
  162   2HA   GLY  25          HA1       GLY  25   1.381   2.410   3.661
  163    H    TRP  26           HN       TRP  26   2.377   0.040   3.270
  164    HA   TRP  26           HA       TRP  26   5.011  -0.278   4.580
  165   1HB   TRP  26          HB2       TRP  26   3.203  -2.047   3.789
  166   2HB   TRP  26          HB1       TRP  26   4.014  -1.873   2.236
  167    HD1  TRP  26           HD1      TRP  26   6.301  -3.031   1.932
  168    HE1  TRP  26           HE1      TRP  26   7.807  -4.466   3.454
  169    HE3  TRP  26           HE3      TRP  26   3.948  -2.337   6.401
  170    HZ2  TRP  26           HZ2      TRP  26   7.988  -5.220   6.207
  171    HZ3  TRP  26           HZ3      TRP  26   4.798  -3.426   8.459
  172    HH2  TRP  26           HH2      TRP  26   6.815  -4.867   8.367
  173    H    CYS  27           HN       CYS  27   6.966   0.260   3.577
  174    HA   CYS  27           HA       CYS  27   6.831   1.239   0.748
  175   1HB   CYS  27          HB2       CYS  27   6.773   2.843   2.916
  176   2HB   CYS  27          HB1       CYS  27   8.516   2.687   2.721
  177    H    HIS  28           HN       HIS  28   8.067  -0.454  -0.104
  178    HA   HIS  28           HA       HIS  28  10.011  -1.670  -0.637
  179   1HB   HIS  28          HB2       HIS  28  10.560   0.762  -1.001
  180   2HB   HIS  28          HB1       HIS  28  11.311   0.768   0.595
  181    HD1  HIS  28           HD1      HIS  28  13.727   1.033  -0.211
  182    HD2  HIS  28           HD2      HIS  28  11.801  -2.257  -1.897
  183    HE1  HIS  28           HE1      HIS  28  15.516  -0.318  -1.389
  184    H    ASP  29           HN       ASP  29   9.138  -1.448   2.556
  185    HA   ASP  29           HA       ASP  29  10.756  -3.577   3.438
  186   1HB   ASP  29          HB2       ASP  29  12.326  -2.026   4.908
  187   2HB   ASP  29          HB1       ASP  29  12.752  -2.412   3.242
  188    H    LYS  30           HN       LYS  30  10.574  -0.575   5.331
  189    HA   LYS  30           HA       LYS  30   8.991  -2.021   7.359
  190   1HB   LYS  30          HB2       LYS  30   9.755  -0.323   8.808
  191   2HB   LYS  30          HB1       LYS  30  11.085  -0.516   7.666
  192   1HG   LYS  30          HG2       LYS  30   9.628   1.336   6.344
  193   2HG   LYS  30          HG1       LYS  30   9.189   1.741   8.005
  194   1HD   LYS  30          HD2       LYS  30  12.077   1.258   7.409
  195   2HD   LYS  30          HD1       LYS  30  11.366   2.776   6.861
  196   1HE   LYS  30          HE2       LYS  30  10.390   2.858   9.322
  197   2HE   LYS  30          HE1       LYS  30  11.758   1.779   9.664
  198   1HZ   LYS  30          HZ1       LYS  30  13.183   3.367   8.432
  199   2HZ   LYS  30          HZ2       LYS  30  12.520   4.027   9.850
  200   3HZ   LYS  30          HZ3       LYS  30  11.869   4.435   8.335
  201    H    CYS  31           HN       CYS  31   7.350  -0.411   8.532
  202    HA   CYS  31           HA       CYS  31   5.311   0.239   6.493
  203   1HB   CYS  31          HB2       CYS  31   5.162  -1.110   8.754
  204   2HB   CYS  31          HB1       CYS  31   4.981   0.493   9.465
  205    H    VAL  32           HN       VAL  32   5.655   2.282   5.642
  206    HA   VAL  32           HA       VAL  32   5.470   4.569   7.532
  207    HB   VAL  32           HB       VAL  32   7.446   5.590   6.736
  208   1HG1  VAL  32          HG11      VAL  32   7.988   2.608   6.709
  209   2HG1  VAL  32          HG12      VAL  32   7.971   3.644   8.136
  210   3HG1  VAL  32          HG13      VAL  32   9.211   3.864   6.901
  211   1HG2  VAL  32          HG21      VAL  32   8.555   4.096   4.696
  212   2HG2  VAL  32          HG22      VAL  32   7.635   5.585   4.472
  213   3HG2  VAL  32          HG23      VAL  32   6.833   4.023   4.325
  214    H    ARG  33           HN       ARG  33   5.117   6.658   6.122
  215    HA   ARG  33           HA       ARG  33   3.342   5.907   3.826
  216   1HB   ARG  33          HB2       ARG  33   2.662   7.109   6.122
  217   2HB   ARG  33          HB1       ARG  33   3.174   8.541   5.233
  218   1HG   ARG  33          HG2       ARG  33   1.694   7.451   3.310
  219   2HG   ARG  33          HG1       ARG  33   0.896   6.682   4.682
  220   1HD   ARG  33          HD2       ARG  33  -0.330   8.623   4.726
  221   2HD   ARG  33          HD1       ARG  33   1.092   9.279   5.564
  222    HE   ARG  33           HE       ARG  33   1.841  10.239   3.476
  223   1HH1  ARG  33          HH21      ARG  33   0.889   8.091   1.625
  224   2HH1  ARG  33          HH22      ARG  33  -0.415   8.874   0.797
  225   1HH2  ARG  33          HH11      ARG  33  -0.708  11.428   3.124
  226   2HH2  ARG  33          HH12      ARG  33  -1.321  10.765   1.647
  227    H    SER  34           HN       SER  34   3.234   7.617   2.084
  228    HA   SER  34           HA       SER  34   5.587   8.135   0.761
  229   1HB   SER  34          HB2       SER  34   2.880   9.255   0.869
  230   2HB   SER  34          HB1       SER  34   4.070  10.408   0.270
  231    HG   SER  34           HG       SER  34   4.285   9.249  -1.476
  232    H    GLU  35           HN       GLU  35   4.199  10.122   3.367
  233    HA   GLU  35           HA       GLU  35   5.981  12.334   3.219
  234   1HB   GLU  35          HB2       GLU  35   3.816  11.807   4.612
  235   2HB   GLU  35          HB1       GLU  35   4.956  11.186   5.806
  236   1HG   GLU  35          HG2       GLU  35   5.151  13.321   6.520
  237   2HG   GLU  35          HG1       GLU  35   6.081  13.609   5.049
  238    H    GLU  36           HN       GLU  36   6.474   9.076   4.361
  239    HA   GLU  36           HA       GLU  36   9.102   9.864   5.567
  240   1HB   GLU  36          HB2       GLU  36   7.033   8.463   6.626
  241   2HB   GLU  36          HB1       GLU  36   7.962   7.146   5.913
  242   1HG   GLU  36          HG2       GLU  36   9.368   9.235   7.549
  243   2HG   GLU  36          HG1       GLU  36   8.509   7.923   8.359
  244    H    CYS  37           HN       CYS  37   7.619   8.227   2.920
  245    HA   CYS  37           HA       CYS  37   9.706   6.309   2.339
  246   1HB   CYS  37          HB2       CYS  37   7.530   7.658   0.712
  247   2HB   CYS  37          HB1       CYS  37   8.544   6.365   0.075
  248    H    LEU  38           HN       LEU  38  11.365   6.507   0.705
  249    HA   LEU  38           HA       LEU  38  12.664   9.089   0.584
  250   1HB   LEU  38          HB2       LEU  38  13.066   6.461  -0.878
  251   2HB   LEU  38          HB1       LEU  38  14.211   7.802  -0.919
  252    HG   LEU  38           HG       LEU  38  13.284   6.811   1.747
  253   1HD1  LEU  38          HD11      LEU  38  14.713   4.954   1.776
  254   2HD1  LEU  38          HD12      LEU  38  15.633   5.518   0.382
  255   3HD1  LEU  38          HD13      LEU  38  14.012   4.860   0.161
  256   1HD2  LEU  38          HD21      LEU  38  15.359   7.687   2.469
  257   2HD2  LEU  38          HD22      LEU  38  14.835   8.825   1.228
  258   3HD2  LEU  38          HD23      LEU  38  16.054   7.608   0.850
  259    H    SER  39           HN       SER  39  11.525   7.035  -2.126
  260    HA   SER  39           HA       SER  39  11.264   9.445  -3.825
  261   1HB   SER  39          HB2       SER  39  12.115   6.877  -4.230
  262   2HB   SER  39          HB1       SER  39  10.454   6.769  -4.805
  263    HG   SER  39           HG       SER  39  12.455   7.674  -6.140
  264    H    GLY  40           HN       GLY  40   9.138   8.722  -5.457
  265   1HA   GLY  40          HA2       GLY  40   6.852   9.183  -3.633
  266   2HA   GLY  40          HA1       GLY  40   6.830   9.390  -5.385
  267    H    THR  41           HN       THR  41   7.639   6.652  -3.216
  268    HA   THR  41           HA       THR  41   5.679   5.001  -4.781
  269    HB   THR  41           HB       THR  41   8.088   4.588  -5.314
  270    HG1  THR  41           HG1      THR  41   7.972   2.313  -4.820
  271   1HG2  THR  41          HG21      THR  41   8.374   3.470  -2.536
  272   2HG2  THR  41          HG22      THR  41   8.730   5.167  -2.853
  273   3HG2  THR  41          HG23      THR  41   9.635   3.906  -3.689
  274    H    TRP  42           HN       TRP  42   4.095   4.219  -3.456
  275    HA   TRP  42           HA       TRP  42   4.786   3.476  -0.646
  276   1HB   TRP  42          HB2       TRP  42   3.928   5.802  -0.708
  277   2HB   TRP  42          HB1       TRP  42   2.486   5.245  -1.555
  278    HD1  TRP  42           HD1      TRP  42   4.311   4.739   1.805
  279    HE1  TRP  42           HE1      TRP  42   2.550   4.167   3.597
  280    HE3  TRP  42           HE3      TRP  42   0.137   4.481  -1.121
  281    HZ2  TRP  42           HZ2      TRP  42  -0.265   3.666   3.763
  282    HZ3  TRP  42           HZ3      TRP  42  -2.070   3.957  -0.123
  283    HH2  TRP  42           HH2      TRP  42  -2.276   3.549   2.314
  284    H    THR  43           HN       THR  43   3.959   1.445  -0.241
  285    HA   THR  43           HA       THR  43   1.672   0.514  -1.950
  286    HB   THR  43           HB       THR  43   3.707  -0.671  -2.462
  287    HG1  THR  43           HG1      THR  43   1.626  -1.842  -1.705
  288   1HG2  THR  43          HG21      THR  43   5.000  -1.816  -0.654
  289   2HG2  THR  43          HG22      THR  43   3.979  -1.011   0.536
  290   3HG2  THR  43          HG23      THR  43   5.027  -0.058  -0.515
  291    H    GLN  44           HN       GLN  44  -0.088  -0.399  -0.889
  292    HA   GLN  44           HA       GLN  44   0.098  -0.660   2.093
  293   1HB   GLN  44          HB2       GLN  44  -1.122   1.376   0.878
  294   2HB   GLN  44          HB1       GLN  44  -2.426   0.198   0.732
  295   1HG   GLN  44          HG2       GLN  44  -1.512  -0.084   3.364
  296   2HG   GLN  44          HG1       GLN  44  -1.530   1.656   3.081
  297   1HE2  GLN  44          HE21      GLN  44  -3.489   2.436   3.886
  298   2HE2  GLN  44          HE22      GLN  44  -5.004   1.722   3.608
  299    H    GLN  45           HN       GLN  45   0.139  -2.626  -0.284
  300    HA   GLN  45           HA       GLN  45  -1.822  -4.506   0.901
  301   1HB   GLN  45          HB2       GLN  45  -2.725  -4.926  -1.444
  302   2HB   GLN  45          HB1       GLN  45  -3.145  -3.356  -0.759
  303   1HG   GLN  45          HG2       GLN  45  -1.100  -2.417  -1.938
  304   2HG   GLN  45          HG1       GLN  45  -0.978  -3.959  -2.784
  305   1HE2  GLN  45          HE21      GLN  45  -2.485  -0.884  -2.868
  306   2HE2  GLN  45          HE22      GLN  45  -3.641  -1.226  -4.063
  307    H    ILE  46           HN       ILE  46  -0.234  -6.033   1.391
  308    HA   ILE  46           HA       ILE  46   1.078  -7.362  -0.911
  309    HB   ILE  46           HB       ILE  46   2.614  -5.572  -0.197
  310   1HG1  ILE  46          HG12      ILE  46   4.094  -7.766   1.011
  311   2HG1  ILE  46          HG11      ILE  46   3.199  -8.307  -0.410
  312   1HG2  ILE  46          HG21      ILE  46   2.604  -6.952   2.503
  313   2HG2  ILE  46          HG22      ILE  46   1.721  -5.465   2.156
  314   3HG2  ILE  46          HG23      ILE  46   3.482  -5.487   2.064
  315   1HD1  ILE  46          HD11      ILE  46   4.473  -7.076  -1.839
  316   2HD1  ILE  46          HD12      ILE  46   5.643  -7.092  -0.519
  317   3HD1  ILE  46          HD13      ILE  46   4.567  -5.710  -0.727
  318    H    CYS  47           HN       CYS  47   0.563  -7.252   2.607
  319    HA   CYS  47           HA       CYS  47   0.466 -10.251   2.604
  320   1HB   CYS  47          HB2       CYS  47   1.700 -10.211   4.680
  321   2HB   CYS  47          HB1       CYS  47   2.564  -9.167   3.553
  322    H    LEU  48           HN       LEU  48  -1.224 -11.130   3.852
  323    HA   LEU  48           HA       LEU  48  -3.138  -9.146   5.022
  324   1HB   LEU  48          HB2       LEU  48  -3.311 -11.574   3.371
  325   2HB   LEU  48          HB1       LEU  48  -4.461 -11.550   4.708
  326    HG   LEU  48           HG       LEU  48  -4.917  -9.093   3.928
  327   1HD1  LEU  48          HD11      LEU  48  -3.527 -10.349   1.559
  328   2HD1  LEU  48          HD12      LEU  48  -3.224  -8.776   2.296
  329   3HD1  LEU  48          HD13      LEU  48  -4.694  -9.041   1.358
  330   1HD2  LEU  48          HD21      LEU  48  -5.815 -11.550   2.398
  331   2HD2  LEU  48          HD22      LEU  48  -6.597  -9.974   2.277
  332   3HD2  LEU  48          HD23      LEU  48  -6.595 -10.843   3.812
  Start of MODEL   13
    1   1H    GLY   1           HT1      GLY   1  -9.721  10.359  16.250
    2   2H    GLY   1           HT2      GLY   1  -8.254   9.528  16.046
    3   3H    GLY   1           HT3      GLY   1  -9.679   8.925  15.346
    4   1HA   GLY   1          HA2       GLY   1  -9.689  10.435  13.655
    5   2HA   GLY   1          HA1       GLY   1  -8.794  11.621  14.608
    6    H    SER   2           HN       SER   2  -6.496  11.364  14.818
    7    HA   SER   2           HA       SER   2  -5.312   9.664  12.659
    8   1HB   SER   2          HB2       SER   2  -4.931  12.369  13.704
    9   2HB   SER   2          HB1       SER   2  -3.412  11.488  13.573
   10    HG   SER   2           HG       SER   2  -4.716  12.651  11.647
   11    H    ALA   3           HN       ALA   3  -3.632  11.070  15.430
   12    HA   ALA   3           HA       ALA   3  -2.449  10.041  17.206
   13   1HB   ALA   3          HB1       ALA   3  -4.837   8.572  16.736
   14   2HB   ALA   3          HB2       ALA   3  -3.878   8.613  18.215
   15   3HB   ALA   3          HB3       ALA   3  -3.554   7.389  16.986
   16    H    MET   4           HN       MET   4  -1.538   7.367  17.389
   17    HA   MET   4           HA       MET   4   0.086   7.078  14.882
   18   1HB   MET   4          HB2       MET   4   0.809   7.022  17.811
   19   2HB   MET   4          HB1       MET   4   1.853   6.272  16.604
   20   1HG   MET   4          HG2       MET   4   1.907   8.443  15.366
   21   2HG   MET   4          HG1       MET   4   0.977   9.174  16.674
   22   1HE   MET   4          HE1       MET   4   1.604  10.166  18.306
   23   2HE   MET   4          HE2       MET   4   3.027  11.028  17.727
   24   3HE   MET   4          HE3       MET   4   3.101  10.141  19.247
   25    H    GLY   5           HN       GLY   5  -0.850   5.246  13.972
   26   1HA   GLY   5          HA2       GLY   5  -1.027   2.833  15.735
   27   2HA   GLY   5          HA1       GLY   5  -2.226   3.163  14.484
   28    H    CYS   6           HN       CYS   6  -1.213   3.462  12.217
   29    HA   CYS   6           HA       CYS   6   0.093   1.090  11.402
   30   1HB   CYS   6          HB2       CYS   6  -1.213   2.647   9.974
   31   2HB   CYS   6          HB1       CYS   6   0.082   3.833  10.100
   32    H    ARG   7           HN       ARG   7   1.482   4.349  11.949
   33    HA   ARG   7           HA       ARG   7   4.207   3.584  11.413
   34   1HB   ARG   7          HB2       ARG   7   2.740   5.823  12.773
   35   2HB   ARG   7          HB1       ARG   7   4.489   5.716  12.973
   36   1HG   ARG   7          HG2       ARG   7   4.901   6.010  10.687
   37   2HG   ARG   7          HG1       ARG   7   3.271   5.514  10.231
   38   1HD   ARG   7          HD2       ARG   7   3.254   7.854  11.992
   39   2HD   ARG   7          HD1       ARG   7   4.125   8.147  10.474
   40    HE   ARG   7           HE       ARG   7   1.340   7.045  10.577
   41   1HH1  ARG   7          HH11      ARG   7   3.942   7.949   8.622
   42   2HH1  ARG   7          HH12      ARG   7   2.994   8.861   7.495
   43   1HH2  ARG   7          HH21      ARG   7   0.070   8.608   9.342
   44   2HH2  ARG   7          HH22      ARG   7   0.802   9.237   7.903
   45    H    HIS   8           HN       HIS   8   2.080   3.055  14.077
   46    HA   HIS   8           HA       HIS   8   4.221   2.639  16.062
   47   1HB   HIS   8          HB2       HIS   8   2.202   3.556  16.903
   48   2HB   HIS   8          HB1       HIS   8   1.206   2.447  15.960
   49    HD1  HIS   8           HD1      HIS   8   3.271   2.649  19.088
   50    HD2  HIS   8           HD2      HIS   8   0.890  -0.142  17.105
   51    HE1  HIS   8           HE1      HIS   8   2.919   0.730  20.704
   52    H    PHE   9           HN       PHE   9   2.683   0.837  13.594
   53    HA   PHE   9           HA       PHE   9   2.811  -1.800  14.827
   54   1HB   PHE   9          HB2       PHE   9   2.624  -0.828  11.955
   55   2HB   PHE   9          HB1       PHE   9   2.374  -2.498  12.459
   56    HD1  PHE   9           HD1      PHE   9   0.193  -1.338  11.037
   57    HD2  PHE   9           HD2      PHE   9   1.180  -0.891  15.195
   58    HE1  PHE   9           HE1      PHE   9  -2.178  -0.822  11.544
   59    HE2  PHE   9           HE2      PHE   9  -1.193  -0.374  15.700
   60    HZ   PHE   9           HZ       PHE   9  -2.872  -0.339  13.876
   61    H    GLN  10           HN       GLN  10   4.237  -3.525  13.635
   62    HA   GLN  10           HA       GLN  10   6.973  -2.372  13.185
   63   1HB   GLN  10          HB2       GLN  10   7.831  -4.278  14.386
   64   2HB   GLN  10          HB1       GLN  10   6.506  -3.624  15.350
   65   1HG   GLN  10          HG2       GLN  10   4.978  -5.299  14.240
   66   2HG   GLN  10          HG1       GLN  10   6.409  -6.027  13.506
   67   1HE2  GLN  10          HE21      GLN  10   6.933  -7.876  14.678
   68   2HE2  GLN  10          HE22      GLN  10   6.930  -7.988  16.371
   69    H    SER  11           HN       SER  11   4.628  -4.871  12.274
   70    HA   SER  11           HA       SER  11   6.353  -5.549   9.915
   71   1HB   SER  11          HB2       SER  11   4.182  -7.107  11.353
   72   2HB   SER  11          HB1       SER  11   5.107  -7.697   9.975
   73    HG   SER  11           HG       SER  11   7.001  -7.172  11.366
   74    H    CYS  12           HN       CYS  12   4.481  -6.725   8.296
   75    HA   CYS  12           HA       CYS  12   2.894  -4.400   7.384
   76   1HB   CYS  12          HB2       CYS  12   2.606  -5.854   5.390
   77   2HB   CYS  12          HB1       CYS  12   4.305  -5.726   5.850
   78    H    SER  13           HN       SER  13   2.415  -7.334   9.152
   79    HA   SER  13           HA       SER  13  -0.175  -8.155   8.487
   80   1HB   SER  13          HB2       SER  13   1.322  -7.931  11.102
   81   2HB   SER  13          HB1       SER  13  -0.256  -8.708  11.002
   82    HG   SER  13           HG       SER  13   2.140  -9.399   9.650
   83    H    GLN  14           HN       GLN  14   0.568  -5.815  11.116
   84    HA   GLN  14           HA       GLN  14  -2.211  -4.932  11.237
   85   1HB   GLN  14          HB2       GLN  14  -0.324  -5.046  13.046
   86   2HB   GLN  14          HB1       GLN  14   0.162  -3.481  12.392
   87   1HG   GLN  14          HG2       GLN  14  -1.342  -2.808  14.031
   88   2HG   GLN  14          HG1       GLN  14  -2.415  -2.934  12.637
   89   1HE2  GLN  14          HE21      GLN  14  -1.516  -4.461  15.700
   90   2HE2  GLN  14          HE22      GLN  14  -2.809  -5.562  15.734
   91    H    CYS  15           HN       CYS  15   0.785  -3.736   9.778
   92    HA   CYS  15           HA       CYS  15   0.164  -1.095   9.137
   93   1HB   CYS  15          HB2       CYS  15   2.202  -2.628   8.613
   94   2HB   CYS  15          HB1       CYS  15   1.331  -3.038   7.137
   95    H    LEU  16           HN       LEU  16  -1.039  -4.065   7.608
   96    HA   LEU  16           HA       LEU  16  -2.805  -2.402   5.850
   97   1HB   LEU  16          HB2       LEU  16  -1.520  -5.118   5.659
   98   2HB   LEU  16          HB1       LEU  16  -2.925  -4.731   4.664
   99    HG   LEU  16           HG       LEU  16  -1.602  -2.569   4.054
  100   1HD1  LEU  16          HD11      LEU  16   0.379  -4.205   5.539
  101   2HD1  LEU  16          HD12      LEU  16   0.306  -2.457   5.312
  102   3HD1  LEU  16          HD13      LEU  16   0.949  -3.487   4.033
  103   1HD2  LEU  16          HD21      LEU  16  -0.424  -3.806   2.236
  104   2HD2  LEU  16          HD22      LEU  16  -2.086  -4.355   2.451
  105   3HD2  LEU  16          HD23      LEU  16  -0.751  -5.317   3.085
  106    H    SER  17           HN       SER  17  -2.836  -4.539   8.569
  107    HA   SER  17           HA       SER  17  -5.565  -5.547   8.095
  108   1HB   SER  17          HB2       SER  17  -3.739  -6.818   9.239
  109   2HB   SER  17          HB1       SER  17  -3.788  -5.644  10.551
  110    HG   SER  17           HG       SER  17  -5.082  -7.525  10.930
  111    H    ALA  18           HN       ALA  18  -4.318  -2.615   9.191
  112    HA   ALA  18           HA       ALA  18  -6.906  -2.006  10.550
  113   1HB   ALA  18          HB1       ALA  18  -4.899  -2.730  12.051
  114   2HB   ALA  18          HB2       ALA  18  -5.800  -1.282  12.503
  115   3HB   ALA  18          HB3       ALA  18  -4.249  -1.134  11.674
  116    HA   PRO  19           HA       PRO  19  -5.185   1.277   7.694
  117   1HB   PRO  19          HB2       PRO  19  -7.100   1.126   5.742
  118   2HB   PRO  19          HB1       PRO  19  -5.591   0.196   5.718
  119   1HG   PRO  19          HG2       PRO  19  -8.332  -0.674   6.409
  120   2HG   PRO  19          HG1       PRO  19  -7.017  -1.572   5.645
  121   1HD   PRO  19          HD2       PRO  19  -7.762  -1.812   8.300
  122   2HD   PRO  19          HD1       PRO  19  -6.186  -2.283   7.633
  123    HA   PRO  20           HA       PRO  20  -9.481   3.294   8.394
  124   1HB   PRO  20          HB2       PRO  20 -11.097   2.152  10.276
  125   2HB   PRO  20          HB1       PRO  20 -11.190   1.747   8.551
  126   1HG   PRO  20          HG2       PRO  20  -9.944   0.245  10.784
  127   2HG   PRO  20          HG1       PRO  20 -10.792  -0.354   9.351
  128   1HD   PRO  20          HD2       PRO  20  -8.063  -0.326   9.646
  129   2HD   PRO  20          HD1       PRO  20  -8.908  -0.358   8.088
  130    H    PHE  21           HN       PHE  21  -7.629   1.734  10.914
  131    HA   PHE  21           HA       PHE  21  -8.165   3.962  12.821
  132   1HB   PHE  21          HB2       PHE  21  -6.488   1.470  13.200
  133   2HB   PHE  21          HB1       PHE  21  -7.240   2.464  14.447
  134    HD1  PHE  21           HD1      PHE  21  -7.506  -0.634  13.258
  135    HD2  PHE  21           HD2      PHE  21  -9.945   2.894  13.482
  136    HE1  PHE  21           HE1      PHE  21  -9.546  -2.038  13.148
  137    HE2  PHE  21           HE2      PHE  21 -11.988   1.489  13.370
  138    HZ   PHE  21           HZ       PHE  21 -11.787  -0.977  13.205
  139    H    VAL  22           HN       VAL  22  -6.137   3.547  10.277
  140    HA   VAL  22           HA       VAL  22  -4.039   5.223  11.562
  141    HB   VAL  22           HB       VAL  22  -2.299   3.732  10.819
  142   1HG1  VAL  22          HG11      VAL  22  -2.695   1.860  12.258
  143   2HG1  VAL  22          HG12      VAL  22  -4.438   1.960  12.017
  144   3HG1  VAL  22          HG13      VAL  22  -3.606   3.200  12.955
  145   1HG2  VAL  22          HG21      VAL  22  -2.852   2.741   8.823
  146   2HG2  VAL  22          HG22      VAL  22  -4.546   2.544   9.276
  147   3HG2  VAL  22          HG23      VAL  22  -3.331   1.420   9.888
  148    H    GLN  23           HN       GLN  23  -2.262   5.528   9.614
  149    HA   GLN  23           HA       GLN  23  -3.729   6.115   7.076
  150   1HB   GLN  23          HB2       GLN  23  -3.832   8.191   8.151
  151   2HB   GLN  23          HB1       GLN  23  -2.286   7.957   8.965
  152   1HG   GLN  23          HG2       GLN  23  -1.051   8.589   7.104
  153   2HG   GLN  23          HG1       GLN  23  -2.311   8.099   5.971
  154   1HE2  GLN  23          HE21      GLN  23  -0.823  10.828   6.932
  155   2HE2  GLN  23          HE22      GLN  23  -2.109  11.933   6.862
  156    H    CYS  24           HN       CYS  24  -0.670   5.468   8.736
  157    HA   CYS  24           HA       CYS  24   1.071   5.841   6.496
  158   1HB   CYS  24          HB2       CYS  24   2.496   5.513   8.215
  159   2HB   CYS  24          HB1       CYS  24   1.147   5.037   9.232
  160    H    GLY  25           HN       GLY  25   2.285   3.899   5.475
  161   1HA   GLY  25          HA2       GLY  25   0.537   1.535   5.050
  162   2HA   GLY  25          HA1       GLY  25   0.958   2.505   3.640
  163    H    TRP  26           HN       TRP  26   1.866   0.120   3.231
  164    HA   TRP  26           HA       TRP  26   4.508  -0.315   4.501
  165   1HB   TRP  26          HB2       TRP  26   2.764  -2.088   3.911
  166   2HB   TRP  26          HB1       TRP  26   3.156  -1.787   2.219
  167    HD1  TRP  26           HD1      TRP  26   5.313  -2.838   1.266
  168    HE1  TRP  26           HE1      TRP  26   7.150  -4.362   2.245
  169    HE3  TRP  26           HE3      TRP  26   4.110  -2.590   6.215
  170    HZ2  TRP  26           HZ2      TRP  26   7.996  -5.341   4.797
  171    HZ3  TRP  26           HZ3      TRP  26   5.443  -3.824   7.901
  172    HH2  TRP  26           HH2      TRP  26   7.383  -5.200   7.198
  173    H    CYS  27           HN       CYS  27   6.489   0.064   3.388
  174    HA   CYS  27           HA       CYS  27   6.240   1.184   0.613
  175   1HB   CYS  27          HB2       CYS  27   6.822   2.504   3.036
  176   2HB   CYS  27          HB1       CYS  27   8.354   2.393   2.171
  177    H    HIS  28           HN       HIS  28   7.146  -0.604  -0.418
  178    HA   HIS  28           HA       HIS  28   8.771  -2.251  -0.978
  179   1HB   HIS  28          HB2       HIS  28   9.725   0.535  -1.016
  180   2HB   HIS  28          HB1       HIS  28  11.004  -0.673  -1.121
  181    HD1  HIS  28           HD1      HIS  28   7.860   0.458  -2.897
  182    HD2  HIS  28           HD2      HIS  28  11.099  -2.083  -3.552
  183    HE1  HIS  28           HE1      HIS  28   7.730  -0.259  -5.323
  184    H    ASP  29           HN       ASP  29   8.596  -1.807   2.155
  185    HA   ASP  29           HA       ASP  29  10.576  -3.653   2.910
  186   1HB   ASP  29          HB2       ASP  29  12.190  -1.846   3.963
  187   2HB   ASP  29          HB1       ASP  29  12.357  -2.303   2.270
  188    H    LYS  30           HN       LYS  30  10.102  -0.452   4.448
  189    HA   LYS  30           HA       LYS  30   9.115  -1.870   6.871
  190   1HB   LYS  30          HB2       LYS  30  10.956   0.128   6.422
  191   2HB   LYS  30          HB1       LYS  30   9.534   1.047   6.919
  192   1HG   LYS  30          HG2       LYS  30   9.326  -0.555   8.883
  193   2HG   LYS  30          HG1       LYS  30  10.920  -1.170   8.443
  194   1HD   LYS  30          HD2       LYS  30  11.413   0.489  10.037
  195   2HD   LYS  30          HD1       LYS  30  11.652   1.324   8.502
  196   1HE   LYS  30          HE2       LYS  30   9.695   2.580   8.724
  197   2HE   LYS  30          HE1       LYS  30   8.933   1.383   9.792
  198   1HZ   LYS  30          HZ1       LYS  30  11.251   3.122  10.449
  199   2HZ   LYS  30          HZ2       LYS  30  10.670   1.877  11.448
  200   3HZ   LYS  30          HZ3       LYS  30   9.694   3.227  11.112
  201    H    CYS  31           HN       CYS  31   7.377  -0.573   8.111
  202    HA   CYS  31           HA       CYS  31   5.152   0.001   6.232
  203   1HB   CYS  31          HB2       CYS  31   4.757  -1.615   7.979
  204   2HB   CYS  31          HB1       CYS  31   5.414  -0.532   9.205
  205    H    VAL  32           HN       VAL  32   5.311   2.131   5.573
  206    HA   VAL  32           HA       VAL  32   4.964   4.249   7.609
  207    HB   VAL  32           HB       VAL  32   6.940   5.453   6.935
  208   1HG1  VAL  32          HG11      VAL  32   7.731   2.532   7.085
  209   2HG1  VAL  32          HG12      VAL  32   7.288   3.508   8.486
  210   3HG1  VAL  32          HG13      VAL  32   8.717   3.921   7.541
  211   1HG2  VAL  32          HG21      VAL  32   7.369   5.311   4.705
  212   2HG2  VAL  32          HG22      VAL  32   6.712   3.678   4.590
  213   3HG2  VAL  32          HG23      VAL  32   8.366   3.926   5.151
  214    H    ARG  33           HN       ARG  33   4.752   6.460   6.272
  215    HA   ARG  33           HA       ARG  33   3.169   5.793   3.817
  216   1HB   ARG  33          HB2       ARG  33   2.415   7.069   6.112
  217   2HB   ARG  33          HB1       ARG  33   2.869   8.441   5.101
  218   1HG   ARG  33          HG2       ARG  33   1.477   7.004   3.290
  219   2HG   ARG  33          HG1       ARG  33   0.647   6.497   4.761
  220   1HD   ARG  33          HD2       ARG  33  -0.007   8.718   5.295
  221   2HD   ARG  33          HD1       ARG  33   1.170   9.419   4.166
  222    HE   ARG  33           HE       ARG  33  -1.305   7.958   3.353
  223   1HH1  ARG  33          HH21      ARG  33   1.584   8.407   1.896
  224   2HH1  ARG  33          HH22      ARG  33   1.036   9.463   0.637
  225   1HH2  ARG  33          HH11      ARG  33  -2.087   9.970   2.057
  226   2HH2  ARG  33          HH12      ARG  33  -1.042  10.347   0.728
  227    H    SER  34           HN       SER  34   3.218   7.539   2.120
  228    HA   SER  34           HA       SER  34   5.642   8.003   0.944
  229   1HB   SER  34          HB2       SER  34   3.786   8.668  -0.284
  230   2HB   SER  34          HB1       SER  34   3.064   9.520   1.078
  231    HG   SER  34           HG       SER  34   5.311  10.303  -0.475
  232    H    GLU  35           HN       GLU  35   4.168  10.185   3.376
  233    HA   GLU  35           HA       GLU  35   6.171  12.191   3.376
  234   1HB   GLU  35          HB2       GLU  35   3.827  11.553   4.731
  235   2HB   GLU  35          HB1       GLU  35   5.051  11.545   6.002
  236   1HG   GLU  35          HG2       GLU  35   5.628  13.789   5.641
  237   2HG   GLU  35          HG1       GLU  35   4.964  13.796   4.007
  238    H    GLU  36           HN       GLU  36   6.360   8.920   4.460
  239    HA   GLU  36           HA       GLU  36   8.868   9.545   5.987
  240   1HB   GLU  36          HB2       GLU  36   6.938   8.596   7.262
  241   2HB   GLU  36          HB1       GLU  36   6.976   7.182   6.207
  242   1HG   GLU  36          HG2       GLU  36   8.422   6.304   7.715
  243   2HG   GLU  36          HG1       GLU  36   9.611   7.403   7.015
  244    H    CYS  37           HN       CYS  37   7.530   7.951   3.242
  245    HA   CYS  37           HA       CYS  37   9.481   5.836   2.942
  246   1HB   CYS  37          HB2       CYS  37   7.635   7.309   1.036
  247   2HB   CYS  37          HB1       CYS  37   8.549   5.870   0.590
  248    H    LEU  38           HN       LEU  38  11.436   5.870   1.767
  249    HA   LEU  38           HA       LEU  38  12.848   8.374   1.544
  250   1HB   LEU  38          HB2       LEU  38  13.261   5.494   0.839
  251   2HB   LEU  38          HB1       LEU  38  14.355   6.681   0.130
  252    HG   LEU  38           HG       LEU  38  13.938   7.226   2.947
  253   1HD1  LEU  38          HD11      LEU  38  15.101   5.222   3.816
  254   2HD1  LEU  38          HD12      LEU  38  15.052   4.502   2.207
  255   3HD1  LEU  38          HD13      LEU  38  13.552   4.795   3.087
  256   1HD2  LEU  38          HD21      LEU  38  16.193   6.769   1.026
  257   2HD2  LEU  38          HD22      LEU  38  16.540   6.714   2.754
  258   3HD2  LEU  38          HD23      LEU  38  15.854   8.172   2.039
  259    H    SER  39           HN       SER  39  11.843   6.077  -1.026
  260    HA   SER  39           HA       SER  39  12.242   8.085  -3.115
  261   1HB   SER  39          HB2       SER  39  11.235   5.248  -2.927
  262   2HB   SER  39          HB1       SER  39  11.142   6.138  -4.444
  263    HG   SER  39           HG       SER  39  13.266   6.098  -4.608
  264    H    GLY  40           HN       GLY  40  10.121   7.862  -4.791
  265   1HA   GLY  40          HA2       GLY  40   7.923   9.101  -3.213
  266   2HA   GLY  40          HA1       GLY  40   8.173   9.310  -4.946
  267    H    THR  41           HN       THR  41   8.088   6.301  -3.030
  268    HA   THR  41           HA       THR  41   5.693   5.479  -4.640
  269    HB   THR  41           HB       THR  41   7.818   4.494  -5.460
  270    HG1  THR  41           HG1      THR  41   7.076   2.196  -4.665
  271   1HG2  THR  41          HG21      THR  41   9.420   3.858  -4.020
  272   2HG2  THR  41          HG22      THR  41   8.323   2.696  -3.274
  273   3HG2  THR  41          HG23      THR  41   8.381   4.358  -2.686
  274    H    TRP  42           HN       TRP  42   4.078   4.482  -3.452
  275    HA   TRP  42           HA       TRP  42   4.687   3.599  -0.662
  276   1HB   TRP  42          HB2       TRP  42   3.876   5.948  -0.663
  277   2HB   TRP  42          HB1       TRP  42   2.435   5.440  -1.545
  278    HD1  TRP  42           HD1      TRP  42   4.244   4.363   1.713
  279    HE1  TRP  42           HE1      TRP  42   2.449   3.896   3.503
  280    HE3  TRP  42           HE3      TRP  42   0.025   5.274  -1.014
  281    HZ2  TRP  42           HZ2      TRP  42  -0.406   3.905   3.744
  282    HZ3  TRP  42           HZ3      TRP  42  -2.215   5.037   0.017
  283    HH2  TRP  42           HH2      TRP  42  -2.436   4.354   2.390
  284    H    THR  43           HN       THR  43   3.697   1.648  -0.237
  285    HA   THR  43           HA       THR  43   1.444   0.813  -2.036
  286    HB   THR  43           HB       THR  43   3.484  -0.356  -2.613
  287    HG1  THR  43           HG1      THR  43   2.230  -2.019  -2.701
  288   1HG2  THR  43          HG21      THR  43   3.689  -1.003   0.340
  289   2HG2  THR  43          HG22      THR  43   4.724   0.120  -0.543
  290   3HG2  THR  43          HG23      THR  43   4.771  -1.603  -0.917
  291    H    GLN  44           HN       GLN  44  -0.191  -0.481  -1.027
  292    HA   GLN  44           HA       GLN  44  -0.035  -0.697   1.954
  293   1HB   GLN  44          HB2       GLN  44  -2.450   0.060   1.933
  294   2HB   GLN  44          HB1       GLN  44  -1.300   1.299   1.429
  295   1HG   GLN  44          HG2       GLN  44  -3.046   1.390  -0.180
  296   2HG   GLN  44          HG1       GLN  44  -1.746   0.503  -0.973
  297   1HE2  GLN  44          HE21      GLN  44  -4.286  -0.493   1.396
  298   2HE2  GLN  44          HE22      GLN  44  -4.850  -1.794   0.463
  299    H    GLN  45           HN       GLN  45   0.136  -2.595  -0.465
  300    HA   GLN  45           HA       GLN  45  -1.775  -4.600   0.623
  301   1HB   GLN  45          HB2       GLN  45  -2.926  -3.426  -1.203
  302   2HB   GLN  45          HB1       GLN  45  -1.558  -3.726  -2.276
  303   1HG   GLN  45          HG2       GLN  45  -3.204  -5.405  -2.769
  304   2HG   GLN  45          HG1       GLN  45  -1.916  -6.203  -1.865
  305   1HE2  GLN  45          HE21      GLN  45  -4.893  -4.327  -1.026
  306   2HE2  GLN  45          HE22      GLN  45  -5.415  -5.418   0.166
  307    H    ILE  46           HN       ILE  46  -0.176  -6.052   1.267
  308    HA   ILE  46           HA       ILE  46   1.442  -7.287  -0.887
  309    HB   ILE  46           HB       ILE  46   2.959  -5.618  -0.171
  310   1HG1  ILE  46          HG12      ILE  46   3.459  -8.127   1.456
  311   2HG1  ILE  46          HG11      ILE  46   4.033  -7.795  -0.179
  312   1HG2  ILE  46          HG21      ILE  46   2.838  -4.575   1.827
  313   2HG2  ILE  46          HG22      ILE  46   2.977  -6.095   2.707
  314   3HG2  ILE  46          HG23      ILE  46   1.401  -5.542   2.147
  315   1HD1  ILE  46          HD11      ILE  46   4.861  -6.434   2.389
  316   2HD1  ILE  46          HD12      ILE  46   5.216  -5.752   0.802
  317   3HD1  ILE  46          HD13      ILE  46   5.880  -7.321   1.256
  318    H    CYS  47           HN       CYS  47   1.013  -7.285   2.679
  319    HA   CYS  47           HA       CYS  47   1.383 -10.202   2.778
  320   1HB   CYS  47          HB2       CYS  47   0.706  -8.060   4.819
  321   2HB   CYS  47          HB1       CYS  47   1.031  -9.746   5.228
  322    H    LEU  48           HN       LEU  48  -0.280 -11.651   3.590
  323    HA   LEU  48           HA       LEU  48  -3.009 -10.859   2.743
  324   1HB   LEU  48          HB2       LEU  48  -1.420 -13.330   3.183
  325   2HB   LEU  48          HB1       LEU  48  -3.149 -13.465   3.501
  326    HG   LEU  48           HG       LEU  48  -2.638 -11.985   1.050
  327   1HD1  LEU  48          HD11      LEU  48  -0.927 -14.239   1.548
  328   2HD1  LEU  48          HD12      LEU  48  -1.036 -13.243   0.097
  329   3HD1  LEU  48          HD13      LEU  48  -2.070 -14.660   0.273
  330   1HD2  LEU  48          HD21      LEU  48  -4.134 -13.897   0.198
  331   2HD2  LEU  48          HD22      LEU  48  -4.810 -12.878   1.469
  332   3HD2  LEU  48          HD23      LEU  48  -4.161 -14.469   1.866
  Start of MODEL   14
    1   1H    GLY   1           HT1      GLY   1  -1.063   8.133  14.567
    2   2H    GLY   1           HT2      GLY   1  -0.809   8.906  16.060
    3   3H    GLY   1           HT3      GLY   1  -2.219   9.221  15.164
    4   1HA   GLY   1          HA2       GLY   1  -3.206   7.692  16.424
    5   2HA   GLY   1          HA1       GLY   1  -2.298   6.527  15.460
    6    H    SER   2           HN       SER   2  -2.145   8.479  18.423
    7    HA   SER   2           HA       SER   2   0.269   7.391  19.486
    8   1HB   SER   2          HB2       SER   2  -2.246   8.431  20.828
    9   2HB   SER   2          HB1       SER   2  -0.688   8.233  21.627
   10    HG   SER   2           HG       SER   2   0.137   9.847  20.437
   11    H    ALA   3           HN       ALA   3  -2.800   5.931  18.994
   12    HA   ALA   3           HA       ALA   3  -2.443   3.930  21.155
   13   1HB   ALA   3          HB1       ALA   3  -4.634   3.157  19.772
   14   2HB   ALA   3          HB2       ALA   3  -4.560   4.847  19.273
   15   3HB   ALA   3          HB3       ALA   3  -4.681   4.436  20.984
   16    H    MET   4           HN       MET   4  -3.609   3.275  17.877
   17    HA   MET   4           HA       MET   4  -1.454   1.201  17.609
   18   1HB   MET   4          HB2       MET   4  -4.390   1.259  17.235
   19   2HB   MET   4          HB1       MET   4  -3.500   0.418  15.965
   20   1HG   MET   4          HG2       MET   4  -2.883  -1.281  17.350
   21   2HG   MET   4          HG1       MET   4  -2.604  -0.196  18.712
   22   1HE   MET   4          HE1       MET   4  -3.965   0.171  20.537
   23   2HE   MET   4          HE2       MET   4  -3.703  -1.571  20.592
   24   3HE   MET   4          HE3       MET   4  -5.292  -0.913  20.975
   25    H    GLY   5           HN       GLY   5  -0.673   3.631  16.714
   26   1HA   GLY   5          HA2       GLY   5  -1.483   4.457  14.133
   27   2HA   GLY   5          HA1       GLY   5   0.123   4.732  14.804
   28    H    CYS   6           HN       CYS   6  -0.671   3.954  12.045
   29    HA   CYS   6           HA       CYS   6   0.038   1.184  11.604
   30   1HB   CYS   6          HB2       CYS   6  -1.304   2.344  10.009
   31   2HB   CYS   6          HB1       CYS   6  -0.170   3.686   9.918
   32    H    ARG   7           HN       ARG   7   1.844   4.256  11.548
   33    HA   ARG   7           HA       ARG   7   4.310   3.210  10.516
   34   1HB   ARG   7          HB2       ARG   7   3.296   5.608  11.938
   35   2HB   ARG   7          HB1       ARG   7   5.025   5.307  12.115
   36   1HG   ARG   7          HG2       ARG   7   5.272   5.189   9.673
   37   2HG   ARG   7          HG1       ARG   7   3.541   5.446   9.479
   38   1HD   ARG   7          HD2       ARG   7   4.894   7.473  11.153
   39   2HD   ARG   7          HD1       ARG   7   5.362   7.476   9.442
   40    HE   ARG   7           HE       ARG   7   3.225   8.360   9.008
   41   1HH1  ARG   7          HH11      ARG   7   3.079   8.046  12.233
   42   2HH1  ARG   7          HH12      ARG   7   1.442   7.491  12.338
   43   1HH2  ARG   7          HH21      ARG   7   1.146   6.895   8.934
   44   2HH2  ARG   7          HH22      ARG   7   0.347   6.838  10.469
   45    H    HIS   8           HN       HIS   8   2.717   2.773  13.516
   46    HA   HIS   8           HA       HIS   8   5.157   2.221  15.078
   47   1HB   HIS   8          HB2       HIS   8   3.429   3.163  16.349
   48   2HB   HIS   8          HB1       HIS   8   2.177   2.271  15.488
   49    HD1  HIS   8           HD1      HIS   8   4.853   1.786  18.128
   50    HD2  HIS   8           HD2      HIS   8   1.532  -0.221  16.602
   51    HE1  HIS   8           HE1      HIS   8   4.437  -0.186  19.663
   52    H    PHE   9           HN       PHE   9   2.702   0.465  13.263
   53    HA   PHE   9           HA       PHE   9   3.004  -2.151  14.268
   54   1HB   PHE   9          HB2       PHE   9   2.648  -1.192  11.408
   55   2HB   PHE   9          HB1       PHE   9   2.229  -2.795  12.006
   56    HD1  PHE   9           HD1      PHE   9   0.081  -1.437  10.745
   57    HD2  PHE   9           HD2      PHE   9   1.533  -0.917  14.756
   58    HE1  PHE   9           HE1      PHE   9  -2.145  -0.600  11.445
   59    HE2  PHE   9           HE2      PHE   9  -0.693  -0.079  15.452
   60    HZ   PHE   9           HZ       PHE   9  -2.533   0.080  13.796
   61    H    GLN  10           HN       GLN  10   4.645  -3.661  14.114
   62    HA   GLN  10           HA       GLN  10   7.198  -2.819  12.901
   63   1HB   GLN  10          HB2       GLN  10   8.063  -4.712  14.131
   64   2HB   GLN  10          HB1       GLN  10   6.887  -3.907  15.170
   65   1HG   GLN  10          HG2       GLN  10   5.226  -5.556  14.747
   66   2HG   GLN  10          HG1       GLN  10   6.117  -6.214  13.374
   67   1HE2  GLN  10          HE21      GLN  10   8.469  -7.004  14.059
   68   2HE2  GLN  10          HE22      GLN  10   8.543  -7.884  15.509
   69    H    SER  11           HN       SER  11   4.567  -5.049  12.236
   70    HA   SER  11           HA       SER  11   6.093  -6.114   9.881
   71   1HB   SER  11          HB2       SER  11   3.947  -7.218  11.697
   72   2HB   SER  11          HB1       SER  11   4.293  -7.958  10.136
   73    HG   SER  11           HG       SER  11   5.535  -8.909  11.781
   74    H    CYS  12           HN       CYS  12   4.632  -6.620   7.969
   75    HA   CYS  12           HA       CYS  12   2.985  -4.303   7.326
   76   1HB   CYS  12          HB2       CYS  12   2.835  -5.409   5.159
   77   2HB   CYS  12          HB1       CYS  12   4.484  -5.574   5.759
   78    H    SER  13           HN       SER  13   2.360  -7.150   9.030
   79    HA   SER  13           HA       SER  13  -0.219  -7.933   8.097
   80   1HB   SER  13          HB2       SER  13   1.133  -7.980  10.809
   81   2HB   SER  13          HB1       SER  13  -0.397  -8.793  10.483
   82    HG   SER  13           HG       SER  13   1.587 -10.071  10.218
   83    H    GLN  14           HN       GLN  14   0.537  -5.890  10.955
   84    HA   GLN  14           HA       GLN  14  -2.165  -4.950  11.286
   85   1HB   GLN  14          HB2       GLN  14  -0.096  -5.026  12.879
   86   2HB   GLN  14          HB1       GLN  14   0.322  -3.476  12.147
   87   1HG   GLN  14          HG2       GLN  14  -1.028  -2.605  13.758
   88   2HG   GLN  14          HG1       GLN  14  -2.336  -3.108  12.685
   89   1HE2  GLN  14          HE21      GLN  14  -3.443  -3.217  14.976
   90   2HE2  GLN  14          HE22      GLN  14  -3.342  -4.709  15.781
   91    H    CYS  15           HN       CYS  15   0.628  -3.756   9.479
   92    HA   CYS  15           HA       CYS  15  -0.084  -1.119   8.902
   93   1HB   CYS  15          HB2       CYS  15   1.149  -3.323   7.228
   94   2HB   CYS  15          HB1       CYS  15   1.096  -1.644   6.693
   95    H    LEU  16           HN       LEU  16  -1.108  -4.037   7.085
   96    HA   LEU  16           HA       LEU  16  -3.155  -2.400   5.674
   97   1HB   LEU  16          HB2       LEU  16  -1.800  -5.061   5.289
   98   2HB   LEU  16          HB1       LEU  16  -3.295  -4.700   4.422
   99    HG   LEU  16           HG       LEU  16  -2.307  -2.742   3.403
  100   1HD1  LEU  16          HD11      LEU  16  -0.106  -3.296   5.381
  101   2HD1  LEU  16          HD12      LEU  16  -0.947  -1.780   5.059
  102   3HD1  LEU  16          HD13      LEU  16   0.234  -2.396   3.902
  103   1HD2  LEU  16          HD21      LEU  16  -1.795  -4.924   2.344
  104   2HD2  LEU  16          HD22      LEU  16  -0.340  -5.053   3.333
  105   3HD2  LEU  16          HD23      LEU  16  -0.472  -3.778   2.121
  106    H    SER  17           HN       SER  17  -2.981  -4.201   8.479
  107    HA   SER  17           HA       SER  17  -5.695  -5.399   8.171
  108   1HB   SER  17          HB2       SER  17  -3.407  -5.687  10.120
  109   2HB   SER  17          HB1       SER  17  -4.991  -6.378  10.452
  110    HG   SER  17           HG       SER  17  -3.542  -7.825   9.364
  111    H    ALA  18           HN       ALA  18  -4.263  -2.551   9.291
  112    HA   ALA  18           HA       ALA  18  -6.714  -1.900  10.863
  113   1HB   ALA  18          HB1       ALA  18  -3.977  -1.154  11.871
  114   2HB   ALA  18          HB2       ALA  18  -4.630  -2.757  12.209
  115   3HB   ALA  18          HB3       ALA  18  -5.480  -1.320  12.777
  116    HA   PRO  19           HA       PRO  19  -4.911   1.422   8.070
  117   1HB   PRO  19          HB2       PRO  19  -6.763   1.327   6.060
  118   2HB   PRO  19          HB1       PRO  19  -5.255   0.394   6.054
  119   1HG   PRO  19          HG2       PRO  19  -8.018  -0.486   6.656
  120   2HG   PRO  19          HG1       PRO  19  -6.693  -1.363   5.883
  121   1HD   PRO  19          HD2       PRO  19  -7.482  -1.702   8.508
  122   2HD   PRO  19          HD1       PRO  19  -5.885  -2.132   7.862
  123    HA   PRO  20           HA       PRO  20  -9.264   3.363   8.687
  124   1HB   PRO  20          HB2       PRO  20 -10.870   2.193  10.565
  125   2HB   PRO  20          HB1       PRO  20 -10.951   1.794   8.838
  126   1HG   PRO  20          HG2       PRO  20  -9.667   0.307  11.065
  127   2HG   PRO  20          HG1       PRO  20 -10.528  -0.304   9.644
  128   1HD   PRO  20          HD2       PRO  20  -7.810  -0.259   9.896
  129   2HD   PRO  20          HD1       PRO  20  -8.661  -0.253   8.341
  130    H    PHE  21           HN       PHE  21  -7.399   1.849  11.231
  131    HA   PHE  21           HA       PHE  21  -7.925   4.159  13.057
  132   1HB   PHE  21          HB2       PHE  21  -6.404   1.597  13.605
  133   2HB   PHE  21          HB1       PHE  21  -7.129   2.692  14.781
  134    HD1  PHE  21           HD1      PHE  21  -7.571  -0.433  14.016
  135    HD2  PHE  21           HD2      PHE  21  -9.753   3.222  13.431
  136    HE1  PHE  21           HE1      PHE  21  -9.691  -1.716  13.902
  137    HE2  PHE  21           HE2      PHE  21 -11.871   1.938  13.316
  138    HZ   PHE  21           HZ       PHE  21 -11.841  -0.530  13.550
  139    H    VAL  22           HN       VAL  22  -6.057   3.937  10.562
  140    HA   VAL  22           HA       VAL  22  -3.747   5.274  11.867
  141    HB   VAL  22           HB       VAL  22  -2.167   3.734  10.858
  142   1HG1  VAL  22          HG11      VAL  22  -2.631   1.764  12.137
  143   2HG1  VAL  22          HG12      VAL  22  -4.371   2.039  12.055
  144   3HG1  VAL  22          HG13      VAL  22  -3.354   3.104  13.027
  145   1HG2  VAL  22          HG21      VAL  22  -3.385   1.621   9.768
  146   2HG2  VAL  22          HG22      VAL  22  -2.992   3.046   8.808
  147   3HG2  VAL  22          HG23      VAL  22  -4.629   2.824   9.425
  148    H    GLN  23           HN       GLN  23  -2.079   5.583   9.777
  149    HA   GLN  23           HA       GLN  23  -3.615   6.402   7.372
  150   1HB   GLN  23          HB2       GLN  23  -3.839   8.362   8.672
  151   2HB   GLN  23          HB1       GLN  23  -2.225   8.196   9.361
  152   1HG   GLN  23          HG2       GLN  23  -1.173   9.004   7.437
  153   2HG   GLN  23          HG1       GLN  23  -2.537   8.590   6.397
  154   1HE2  GLN  23          HE21      GLN  23  -4.677   9.861   7.116
  155   2HE2  GLN  23          HE22      GLN  23  -4.450  11.509   7.454
  156    H    CYS  24           HN       CYS  24  -1.104   4.716   8.473
  157    HA   CYS  24           HA       CYS  24   0.859   5.749   6.478
  158   1HB   CYS  24          HB2       CYS  24   2.329   5.364   8.135
  159   2HB   CYS  24          HB1       CYS  24   1.003   4.860   9.167
  160    H    GLY  25           HN       GLY  25   2.201   3.831   5.493
  161   1HA   GLY  25          HA2       GLY  25   0.505   1.484   4.858
  162   2HA   GLY  25          HA1       GLY  25   1.002   2.518   3.517
  163    H    TRP  26           HN       TRP  26   1.934   0.144   3.092
  164    HA   TRP  26           HA       TRP  26   4.503  -0.353   4.474
  165   1HB   TRP  26          HB2       TRP  26   2.700  -2.033   3.666
  166   2HB   TRP  26          HB1       TRP  26   3.342  -1.741   2.053
  167    HD1  TRP  26           HD1      TRP  26   5.143  -3.380   1.361
  168    HE1  TRP  26           HE1      TRP  26   6.887  -4.837   2.579
  169    HE3  TRP  26           HE3      TRP  26   4.252  -1.964   6.173
  170    HZ2  TRP  26           HZ2      TRP  26   7.786  -5.333   5.252
  171    HZ3  TRP  26           HZ3      TRP  26   5.563  -2.939   8.041
  172    HH2  TRP  26           HH2      TRP  26   7.328  -4.621   7.584
  173    H    CYS  27           HN       CYS  27   6.507   0.193   3.567
  174    HA   CYS  27           HA       CYS  27   6.494   1.227   0.749
  175   1HB   CYS  27          HB2       CYS  27   6.550   2.774   2.965
  176   2HB   CYS  27          HB1       CYS  27   8.275   2.463   2.787
  177    H    HIS  28           HN       HIS  28   7.580  -0.574  -0.112
  178    HA   HIS  28           HA       HIS  28   9.392  -1.978  -0.634
  179   1HB   HIS  28          HB2       HIS  28  10.194   0.724  -0.169
  180   2HB   HIS  28          HB1       HIS  28  11.503  -0.345   0.333
  181    HD1  HIS  28           HD1      HIS  28  10.005   1.143  -2.628
  182    HD2  HIS  28           HD2      HIS  28  12.178  -2.322  -1.819
  183    HE1  HIS  28           HE1      HIS  28  10.864   0.300  -4.856
  184    H    ASP  29           HN       ASP  29   8.834  -1.376   2.714
  185    HA   ASP  29           HA       ASP  29   9.966  -3.792   3.594
  186   1HB   ASP  29          HB2       ASP  29  12.070  -2.632   4.701
  187   2HB   ASP  29          HB1       ASP  29  12.143  -3.168   3.024
  188    H    LYS  30           HN       LYS  30  10.147  -0.391   4.734
  189    HA   LYS  30           HA       LYS  30   9.150  -1.240   7.389
  190   1HB   LYS  30          HB2       LYS  30  11.060   0.304   7.132
  191   2HB   LYS  30          HB1       LYS  30  10.035   1.429   6.242
  192   1HG   LYS  30          HG2       LYS  30   8.622   1.769   8.188
  193   2HG   LYS  30          HG1       LYS  30   9.494   0.523   9.084
  194   1HD   LYS  30          HD2       LYS  30  11.537   2.182   8.280
  195   2HD   LYS  30          HD1       LYS  30  10.230   3.328   8.579
  196   1HE   LYS  30          HE2       LYS  30  10.426   3.065  10.823
  197   2HE   LYS  30          HE1       LYS  30  10.370   1.296  10.675
  198   1HZ   LYS  30          HZ1       LYS  30  12.534   1.933  11.464
  199   2HZ   LYS  30          HZ2       LYS  30  12.726   3.044  10.193
  200   3HZ   LYS  30          HZ3       LYS  30  12.686   1.376   9.870
  201    H    CYS  31           HN       CYS  31   7.362   0.131   8.373
  202    HA   CYS  31           HA       CYS  31   5.167   0.436   6.393
  203   1HB   CYS  31          HB2       CYS  31   5.222  -0.862   8.695
  204   2HB   CYS  31          HB1       CYS  31   4.902   0.736   9.371
  205    H    VAL  32           HN       VAL  32   5.245   2.490   5.489
  206    HA   VAL  32           HA       VAL  32   5.001   4.793   7.358
  207    HB   VAL  32           HB       VAL  32   6.859   5.939   6.388
  208   1HG1  VAL  32          HG11      VAL  32   7.666   3.019   6.556
  209   2HG1  VAL  32          HG12      VAL  32   7.474   4.089   7.945
  210   3HG1  VAL  32          HG13      VAL  32   8.730   4.412   6.751
  211   1HG2  VAL  32          HG21      VAL  32   7.093   5.736   4.148
  212   2HG2  VAL  32          HG22      VAL  32   6.256   4.185   4.135
  213   3HG2  VAL  32          HG23      VAL  32   7.986   4.250   4.470
  214    H    ARG  33           HN       ARG  33   4.519   6.849   5.946
  215    HA   ARG  33           HA       ARG  33   2.660   6.020   3.747
  216   1HB   ARG  33          HB2       ARG  33   1.946   7.188   5.978
  217   2HB   ARG  33          HB1       ARG  33   2.593   8.644   5.222
  218   1HG   ARG  33          HG2       ARG  33   1.108   7.622   3.175
  219   2HG   ARG  33          HG1       ARG  33   0.154   7.108   4.567
  220   1HD   ARG  33          HD2       ARG  33  -0.589   9.223   4.911
  221   2HD   ARG  33          HD1       ARG  33   1.068   9.861   4.879
  222    HE   ARG  33           HE       ARG  33   0.652  10.491   2.649
  223   1HH1  ARG  33          HH11      ARG  33  -2.279  10.184   2.857
  224   2HH1  ARG  33          HH12      ARG  33  -2.631   9.007   1.637
  225   1HH2  ARG  33          HH21      ARG  33   0.651   7.924   1.362
  226   2HH2  ARG  33          HH22      ARG  33  -0.972   7.727   0.789
  227    H    SER  34           HN       SER  34   2.488   7.560   1.926
  228    HA   SER  34           HA       SER  34   4.732   8.125   0.485
  229   1HB   SER  34          HB2       SER  34   2.511   8.492  -0.371
  230   2HB   SER  34          HB1       SER  34   2.199   9.753   0.818
  231    HG   SER  34           HG       SER  34   4.298   9.893  -1.079
  232    H    GLU  35           HN       GLU  35   3.580  10.057   3.225
  233    HA   GLU  35           HA       GLU  35   5.364  12.300   2.753
  234   1HB   GLU  35          HB2       GLU  35   3.147  11.910   4.201
  235   2HB   GLU  35          HB1       GLU  35   4.334  11.600   5.470
  236   1HG   GLU  35          HG2       GLU  35   4.088  13.902   5.673
  237   2HG   GLU  35          HG1       GLU  35   5.438  13.817   4.540
  238    H    GLU  36           HN       GLU  36   5.661   9.221   4.432
  239    HA   GLU  36           HA       GLU  36   8.329  10.053   5.512
  240   1HB   GLU  36          HB2       GLU  36   6.200   8.064   6.234
  241   2HB   GLU  36          HB1       GLU  36   7.860   7.770   6.756
  242   1HG   GLU  36          HG2       GLU  36   7.025   9.012   8.541
  243   2HG   GLU  36          HG1       GLU  36   7.759  10.269   7.543
  244    H    CYS  37           HN       CYS  37   6.928   8.376   2.958
  245    HA   CYS  37           HA       CYS  37   8.703   6.107   2.722
  246   1HB   CYS  37          HB2       CYS  37   6.712   7.600   1.075
  247   2HB   CYS  37          HB1       CYS  37   7.829   6.542   0.216
  248    H    LEU  38           HN       LEU  38  10.907   6.770   2.827
  249    HA   LEU  38           HA       LEU  38  11.909   9.042   1.335
  250   1HB   LEU  38          HB2       LEU  38  13.786   8.603   2.562
  251   2HB   LEU  38          HB1       LEU  38  12.732   7.506   3.441
  252    HG   LEU  38           HG       LEU  38  14.724   6.290   2.906
  253   1HD1  LEU  38          HD11      LEU  38  12.188   5.518   1.965
  254   2HD1  LEU  38          HD12      LEU  38  13.558   4.466   2.324
  255   3HD1  LEU  38          HD13      LEU  38  13.323   5.081   0.688
  256   1HD2  LEU  38          HD21      LEU  38  15.980   6.820   1.121
  257   2HD2  LEU  38          HD22      LEU  38  14.730   7.948   0.596
  258   3HD2  LEU  38          HD23      LEU  38  14.701   6.275   0.035
  259    H    SER  39           HN       SER  39  11.037   5.856   0.457
  260    HA   SER  39           HA       SER  39  12.923   5.417  -1.696
  261   1HB   SER  39          HB2       SER  39  11.723   3.585  -0.674
  262   2HB   SER  39          HB1       SER  39  10.169   4.348  -1.008
  263    HG   SER  39           HG       SER  39  11.943   3.821  -3.118
  264    H    GLY  40           HN       GLY  40   9.561   6.640  -1.584
  265   1HA   GLY  40          HA2       GLY  40   9.098   8.608  -3.091
  266   2HA   GLY  40          HA1       GLY  40   9.997   7.737  -4.334
  267    H    THR  41           HN       THR  41   8.398   5.383  -2.711
  268    HA   THR  41           HA       THR  41   5.884   5.668  -4.313
  269    HB   THR  41           HB       THR  41   7.532   4.296  -5.528
  270    HG1  THR  41           HG1      THR  41   5.490   3.561  -5.794
  271   1HG2  THR  41          HG21      THR  41   8.359   3.538  -3.006
  272   2HG2  THR  41          HG22      THR  41   8.871   2.781  -4.514
  273   3HG2  THR  41          HG23      THR  41   7.534   2.093  -3.592
  274    H    TRP  42           HN       TRP  42   4.064   4.969  -3.198
  275    HA   TRP  42           HA       TRP  42   4.517   3.744  -0.497
  276   1HB   TRP  42          HB2       TRP  42   3.605   6.064  -0.608
  277   2HB   TRP  42          HB1       TRP  42   2.246   5.460  -1.554
  278    HD1  TRP  42           HD1      TRP  42   3.916   4.741   1.862
  279    HE1  TRP  42           HE1      TRP  42   2.063   4.142   3.544
  280    HE3  TRP  42           HE3      TRP  42  -0.155   4.899  -1.214
  281    HZ2  TRP  42           HZ2      TRP  42  -0.776   3.777   3.587
  282    HZ3  TRP  42           HZ3      TRP  42  -2.419   4.424  -0.329
  283    HH2  TRP  42           HH2      TRP  42  -2.736   3.863   2.065
  284    H    THR  43           HN       THR  43   3.668   1.700  -0.225
  285    HA   THR  43           HA       THR  43   1.506   0.828  -2.117
  286    HB   THR  43           HB       THR  43   3.592  -0.203  -2.750
  287    HG1  THR  43           HG1      THR  43   2.413  -2.147  -1.096
  288   1HG2  THR  43          HG21      THR  43   4.971  -1.441  -1.116
  289   2HG2  THR  43          HG22      THR  43   3.872  -0.955   0.175
  290   3HG2  THR  43          HG23      THR  43   4.829   0.260  -0.674
  291    H    GLN  44           HN       GLN  44  -0.240  -0.189  -1.145
  292    HA   GLN  44           HA       GLN  44  -0.039  -0.712   1.804
  293   1HB   GLN  44          HB2       GLN  44  -1.577   1.143   0.391
  294   2HB   GLN  44          HB1       GLN  44  -2.705  -0.167   0.745
  295   1HG   GLN  44          HG2       GLN  44  -0.918   0.641   2.973
  296   2HG   GLN  44          HG1       GLN  44  -2.151   1.814   2.507
  297   1HE2  GLN  44          HE21      GLN  44  -4.315   0.210   1.814
  298   2HE2  GLN  44          HE22      GLN  44  -4.803  -0.727   3.144
  299    H    GLN  45           HN       GLN  45   0.270  -2.538  -0.640
  300    HA   GLN  45           HA       GLN  45  -1.670  -4.599   0.298
  301   1HB   GLN  45          HB2       GLN  45  -2.017  -3.052  -1.991
  302   2HB   GLN  45          HB1       GLN  45  -1.315  -4.548  -2.607
  303   1HG   GLN  45          HG2       GLN  45  -3.544  -4.691  -0.603
  304   2HG   GLN  45          HG1       GLN  45  -3.922  -4.366  -2.294
  305   1HE2  GLN  45          HE21      GLN  45  -4.999  -6.634  -1.993
  306   2HE2  GLN  45          HE22      GLN  45  -4.017  -7.985  -2.298
  307    H    ILE  46           HN       ILE  46  -0.112  -6.030   1.069
  308    HA   ILE  46           HA       ILE  46   1.710  -7.231  -0.942
  309    HB   ILE  46           HB       ILE  46   2.924  -5.339   0.105
  310   1HG1  ILE  46          HG12      ILE  46   4.570  -7.141   1.436
  311   2HG1  ILE  46          HG11      ILE  46   3.708  -8.157   0.281
  312   1HG2  ILE  46          HG21      ILE  46   2.575  -6.852   2.706
  313   2HG2  ILE  46          HG22      ILE  46   1.592  -5.459   2.257
  314   3HG2  ILE  46          HG23      ILE  46   3.332  -5.275   2.479
  315   1HD1  ILE  46          HD11      ILE  46   5.675  -5.989  -0.205
  316   2HD1  ILE  46          HD12      ILE  46   4.297  -6.038  -1.306
  317   3HD1  ILE  46          HD13      ILE  46   5.349  -7.445  -1.145
  318    H    CYS  47           HN       CYS  47   0.617  -7.219   2.456
  319    HA   CYS  47           HA       CYS  47   0.501 -10.209   2.341
  320   1HB   CYS  47          HB2       CYS  47   1.562 -10.292   4.525
  321   2HB   CYS  47          HB1       CYS  47   2.569  -9.293   3.476
  322    H    LEU  48           HN       LEU  48  -1.414 -11.002   3.178
  323    HA   LEU  48           HA       LEU  48  -3.591  -9.261   3.834
  324   1HB   LEU  48          HB2       LEU  48  -2.965 -12.124   3.669
  325   2HB   LEU  48          HB1       LEU  48  -4.186 -11.758   4.889
  326    HG   LEU  48           HG       LEU  48  -5.107 -10.203   2.895
  327   1HD1  LEU  48          HD11      LEU  48  -3.219 -10.960   1.410
  328   2HD1  LEU  48          HD12      LEU  48  -4.821 -11.280   0.746
  329   3HD1  LEU  48          HD13      LEU  48  -3.891 -12.590   1.476
  330   1HD2  LEU  48          HD21      LEU  48  -6.814 -11.783   2.676
  331   2HD2  LEU  48          HD22      LEU  48  -6.087 -12.270   4.207
  332   3HD2  LEU  48          HD23      LEU  48  -5.694 -13.146   2.728
  Start of MODEL   15
    1   1H    GLY   1           HT1      GLY   1  -8.254  -1.972  23.820
    2   2H    GLY   1           HT2      GLY   1  -7.091  -2.021  25.057
    3   3H    GLY   1           HT3      GLY   1  -6.793  -2.797  23.576
    4   1HA   GLY   1          HA2       GLY   1  -7.237  -0.327  22.706
    5   2HA   GLY   1          HA1       GLY   1  -6.540   0.003  24.292
    6    H    SER   2           HN       SER   2  -5.720  -0.437  21.129
    7    HA   SER   2           HA       SER   2  -2.884  -0.810  21.797
    8   1HB   SER   2          HB2       SER   2  -4.225  -2.822  19.984
    9   2HB   SER   2          HB1       SER   2  -2.627  -2.919  20.718
   10    HG   SER   2           HG       SER   2  -4.224  -4.193  21.802
   11    H    ALA   3           HN       ALA   3  -2.099  -1.578  19.147
   12    HA   ALA   3           HA       ALA   3  -1.525  -0.438  17.145
   13   1HB   ALA   3          HB1       ALA   3  -3.669  -1.484  16.608
   14   2HB   ALA   3          HB2       ALA   3  -3.608   0.111  15.859
   15   3HB   ALA   3          HB3       ALA   3  -4.541  -0.135  17.336
   16    H    MET   4           HN       MET   4  -0.372   1.351  18.182
   17    HA   MET   4           HA       MET   4  -1.900   3.801  18.821
   18   1HB   MET   4          HB2       MET   4   0.994   2.926  18.968
   19   2HB   MET   4          HB1       MET   4   0.484   4.565  19.376
   20   1HG   MET   4          HG2       MET   4  -1.299   2.814  20.711
   21   2HG   MET   4          HG1       MET   4   0.325   2.181  20.985
   22   1HE   MET   4          HE1       MET   4   0.193   3.811  24.248
   23   2HE   MET   4          HE2       MET   4   1.485   3.050  23.323
   24   3HE   MET   4          HE3       MET   4  -0.145   2.389  23.252
   25    H    GLY   5           HN       GLY   5  -1.357   2.577  15.974
   26   1HA   GLY   5          HA2       GLY   5  -1.667   4.385  14.157
   27   2HA   GLY   5          HA1       GLY   5  -0.144   5.028  14.772
   28    H    CYS   6           HN       CYS   6  -1.146   3.537  12.181
   29    HA   CYS   6           HA       CYS   6   0.093   1.089  11.772
   30   1HB   CYS   6          HB2       CYS   6  -1.172   2.174  10.051
   31   2HB   CYS   6          HB1       CYS   6  -0.110   3.577  10.057
   32    H    ARG   7           HN       ARG   7   1.618   4.193  12.318
   33    HA   ARG   7           HA       ARG   7   4.260   3.525  11.353
   34   1HB   ARG   7          HB2       ARG   7   3.164   5.521  13.357
   35   2HB   ARG   7          HB1       ARG   7   4.839   5.518  12.809
   36   1HG   ARG   7          HG2       ARG   7   3.298   5.371  10.462
   37   2HG   ARG   7          HG1       ARG   7   2.488   6.565  11.477
   38   1HD   ARG   7          HD2       ARG   7   5.390   6.893  11.559
   39   2HD   ARG   7          HD1       ARG   7   4.749   7.043   9.910
   40    HE   ARG   7           HE       ARG   7   4.328   8.960  11.991
   41   1HH1  ARG   7          HH11      ARG   7   3.801   9.346   9.027
   42   2HH1  ARG   7          HH12      ARG   7   2.088   9.602   9.015
   43   1HH2  ARG   7          HH21      ARG   7   1.615   8.362  12.218
   44   2HH2  ARG   7          HH22      ARG   7   0.849   9.044  10.823
   45    H    HIS   8           HN       HIS   8   2.476   2.614  14.161
   46    HA   HIS   8           HA       HIS   8   4.957   1.897  15.656
   47   1HB   HIS   8          HB2       HIS   8   3.638   2.908  17.224
   48   2HB   HIS   8          HB1       HIS   8   2.182   2.693  16.258
   49    HD1  HIS   8           HD1      HIS   8   4.170   1.131  19.003
   50    HD2  HIS   8           HD2      HIS   8   0.817   0.194  16.710
   51    HE1  HIS   8           HE1      HIS   8   3.055  -0.842  20.136
   52    H    PHE   9           HN       PHE   9   2.705   0.522  13.541
   53    HA   PHE   9           HA       PHE   9   2.276  -2.069  14.681
   54   1HB   PHE   9          HB2       PHE   9   2.403  -0.978  11.857
   55   2HB   PHE   9          HB1       PHE   9   1.901  -2.629  12.215
   56    HD1  PHE   9           HD1      PHE   9   1.025  -0.532  14.932
   57    HD2  PHE   9           HD2      PHE   9  -0.218  -1.617  10.965
   58    HE1  PHE   9           HE1      PHE   9  -1.266   0.276  15.428
   59    HE2  PHE   9           HE2      PHE   9  -2.509  -0.809  11.464
   60    HZ   PHE   9           HZ       PHE   9  -3.032   0.138  13.694
   61    H    GLN  10           HN       GLN  10   3.590  -3.884  14.725
   62    HA   GLN  10           HA       GLN  10   6.428  -3.612  14.250
   63   1HB   GLN  10          HB2       GLN  10   4.571  -5.937  14.825
   64   2HB   GLN  10          HB1       GLN  10   6.328  -6.088  14.797
   65   1HG   GLN  10          HG2       GLN  10   4.844  -4.109  16.549
   66   2HG   GLN  10          HG1       GLN  10   5.364  -5.702  17.098
   67   1HE2  GLN  10          HE21      GLN  10   6.355  -2.466  16.870
   68   2HE2  GLN  10          HE22      GLN  10   8.024  -2.703  17.078
   69    H    SER  11           HN       SER  11   4.728  -6.417  12.991
   70    HA   SER  11           HA       SER  11   6.278  -6.421  10.542
   71   1HB   SER  11          HB2       SER  11   4.896  -8.230  12.064
   72   2HB   SER  11          HB1       SER  11   3.782  -8.002  10.720
   73    HG   SER  11           HG       SER  11   6.214  -9.246  10.809
   74    H    CYS  12           HN       CYS  12   4.380  -7.125   8.600
   75    HA   CYS  12           HA       CYS  12   3.137  -4.475   8.076
   76   1HB   CYS  12          HB2       CYS  12   3.235  -5.143   5.787
   77   2HB   CYS  12          HB1       CYS  12   4.734  -5.727   6.505
   78    H    SER  13           HN       SER  13   2.238  -7.436   9.369
   79    HA   SER  13           HA       SER  13  -0.254  -8.045   8.165
   80   1HB   SER  13          HB2       SER  13   0.825  -9.483   9.797
   81   2HB   SER  13          HB1       SER  13   0.751  -8.222  11.024
   82    HG   SER  13           HG       SER  13  -1.078 -10.060  10.391
   83    H    GLN  14           HN       GLN  14   0.254  -6.119  11.156
   84    HA   GLN  14           HA       GLN  14  -2.427  -5.080  11.231
   85   1HB   GLN  14          HB2       GLN  14  -0.602  -5.256  13.050
   86   2HB   GLN  14          HB1       GLN  14   0.055  -3.772  12.359
   87   1HG   GLN  14          HG2       GLN  14  -1.399  -2.675  13.700
   88   2HG   GLN  14          HG1       GLN  14  -2.655  -3.219  12.587
   89   1HE2  GLN  14          HE21      GLN  14  -2.838  -5.946  13.176
   90   2HE2  GLN  14          HE22      GLN  14  -3.305  -6.159  14.793
   91    H    CYS  15           HN       CYS  15   0.575  -3.961   9.747
   92    HA   CYS  15           HA       CYS  15   0.005  -1.291   9.138
   93   1HB   CYS  15          HB2       CYS  15   1.464  -3.539   7.771
   94   2HB   CYS  15          HB1       CYS  15   1.371  -1.959   6.995
   95    H    LEU  16           HN       LEU  16  -1.119  -4.219   7.436
   96    HA   LEU  16           HA       LEU  16  -2.823  -2.474   5.697
   97   1HB   LEU  16          HB2       LEU  16  -1.568  -5.204   5.438
   98   2HB   LEU  16          HB1       LEU  16  -2.906  -4.727   4.390
   99    HG   LEU  16           HG       LEU  16  -1.630  -2.725   3.686
  100   1HD1  LEU  16          HD11      LEU  16  -0.118  -2.082   5.280
  101   2HD1  LEU  16          HD12      LEU  16   0.965  -3.114   4.345
  102   3HD1  LEU  16          HD13      LEU  16   0.192  -3.738   5.802
  103   1HD2  LEU  16          HD21      LEU  16  -1.405  -5.111   2.636
  104   2HD2  LEU  16          HD22      LEU  16   0.208  -5.085   3.349
  105   3HD2  LEU  16          HD23      LEU  16  -0.253  -3.862   2.164
  106    H    SER  17           HN       SER  17  -2.999  -4.416   8.439
  107    HA   SER  17           HA       SER  17  -5.668  -5.555   7.848
  108   1HB   SER  17          HB2       SER  17  -3.552  -5.768   9.941
  109   2HB   SER  17          HB1       SER  17  -5.200  -6.149  10.428
  110    HG   SER  17           HG       SER  17  -5.242  -7.555   8.545
  111    H    ALA  18           HN       ALA  18  -4.353  -2.668   9.151
  112    HA   ALA  18           HA       ALA  18  -7.062  -1.857  10.098
  113   1HB   ALA  18          HB1       ALA  18  -5.909  -2.663  12.070
  114   2HB   ALA  18          HB2       ALA  18  -5.921  -0.901  12.145
  115   3HB   ALA  18          HB3       ALA  18  -4.458  -1.752  11.650
  116    HA   PRO  19           HA       PRO  19  -4.591   1.316   7.709
  117   1HB   PRO  19          HB2       PRO  19  -6.154   1.396   5.466
  118   2HB   PRO  19          HB1       PRO  19  -4.763   0.313   5.659
  119   1HG   PRO  19          HG2       PRO  19  -7.657  -0.275   5.865
  120   2HG   PRO  19          HG1       PRO  19  -6.333  -1.291   5.285
  121   1HD   PRO  19          HD2       PRO  19  -7.520  -1.510   7.774
  122   2HD   PRO  19          HD1       PRO  19  -5.910  -2.127   7.350
  123    HA   PRO  20           HA       PRO  20  -8.775   3.697   7.698
  124   1HB   PRO  20          HB2       PRO  20 -10.733   2.723   9.341
  125   2HB   PRO  20          HB1       PRO  20 -10.613   2.307   7.619
  126   1HG   PRO  20          HG2       PRO  20  -9.808   0.736  10.007
  127   2HG   PRO  20          HG1       PRO  20 -10.515   0.191   8.479
  128   1HD   PRO  20          HD2       PRO  20  -7.867  -0.027   9.111
  129   2HD   PRO  20          HD1       PRO  20  -8.490   0.042   7.452
  130    H    PHE  21           HN       PHE  21  -7.543   2.039  10.546
  131    HA   PHE  21           HA       PHE  21  -8.112   4.418  12.251
  132   1HB   PHE  21          HB2       PHE  21  -6.784   1.835  13.078
  133   2HB   PHE  21          HB1       PHE  21  -7.748   2.934  14.061
  134    HD1  PHE  21           HD1      PHE  21  -7.821  -0.173  12.546
  135    HD2  PHE  21           HD2      PHE  21 -10.209   3.379  12.913
  136    HE1  PHE  21           HE1      PHE  21  -9.859  -1.488  12.020
  137    HE2  PHE  21           HE2      PHE  21 -12.246   2.064  12.390
  138    HZ   PHE  21           HZ       PHE  21 -12.071  -0.369  11.942
  139    H    VAL  22           HN       VAL  22  -5.927   4.073  10.043
  140    HA   VAL  22           HA       VAL  22  -3.724   5.180  11.720
  141    HB   VAL  22           HB       VAL  22  -2.149   3.636  10.626
  142   1HG1  VAL  22          HG11      VAL  22  -3.474   3.016  12.738
  143   2HG1  VAL  22          HG12      VAL  22  -2.751   1.678  11.844
  144   3HG1  VAL  22          HG13      VAL  22  -4.474   2.017  11.682
  145   1HG2  VAL  22          HG21      VAL  22  -3.481   1.648   9.429
  146   2HG2  VAL  22          HG22      VAL  22  -2.962   3.076   8.534
  147   3HG2  VAL  22          HG23      VAL  22  -4.627   2.948   9.102
  148    H    GLN  23           HN       GLN  23  -1.847   5.781  10.051
  149    HA   GLN  23           HA       GLN  23  -3.016   6.893   7.536
  150   1HB   GLN  23          HB2       GLN  23  -3.134   8.609   9.289
  151   2HB   GLN  23          HB1       GLN  23  -1.429   8.364   9.669
  152   1HG   GLN  23          HG2       GLN  23  -0.830   9.803   8.048
  153   2HG   GLN  23          HG1       GLN  23  -1.694   8.841   6.848
  154   1HE2  GLN  23          HE21      GLN  23  -1.633  11.772   6.883
  155   2HE2  GLN  23          HE22      GLN  23  -3.227  12.299   7.130
  156    H    CYS  24           HN       CYS  24  -0.969   4.741   8.497
  157    HA   CYS  24           HA       CYS  24   1.307   5.687   6.790
  158   1HB   CYS  24          HB2       CYS  24   2.545   5.358   8.652
  159   2HB   CYS  24          HB1       CYS  24   1.135   4.779   9.519
  160    H    GLY  25           HN       GLY  25   2.385   3.938   5.577
  161   1HA   GLY  25          HA2       GLY  25   0.735   1.488   5.178
  162   2HA   GLY  25          HA1       GLY  25   1.140   2.488   3.780
  163    H    TRP  26           HN       TRP  26   2.103   0.102   3.396
  164    HA   TRP  26           HA       TRP  26   4.759  -0.258   4.656
  165   1HB   TRP  26          HB2       TRP  26   2.918  -2.002   3.988
  166   2HB   TRP  26          HB1       TRP  26   3.584  -1.832   2.370
  167    HD1  TRP  26           HD1      TRP  26   5.661  -3.213   1.816
  168    HE1  TRP  26           HE1      TRP  26   7.287  -4.685   3.171
  169    HE3  TRP  26           HE3      TRP  26   4.093  -2.137   6.549
  170    HZ2  TRP  26           HZ2      TRP  26   7.843  -5.328   5.903
  171    HZ3  TRP  26           HZ3      TRP  26   5.180  -3.196   8.514
  172    HH2  TRP  26           HH2      TRP  26   7.055  -4.786   8.194
  173    H    CYS  27           HN       CYS  27   6.735   0.033   3.502
  174    HA   CYS  27           HA       CYS  27   6.520   1.024   0.688
  175   1HB   CYS  27          HB2       CYS  27   6.735   2.654   2.887
  176   2HB   CYS  27          HB1       CYS  27   8.427   2.434   2.446
  177    H    HIS  28           HN       HIS  28   7.589  -0.790  -0.145
  178    HA   HIS  28           HA       HIS  28   9.437  -2.078  -0.808
  179   1HB   HIS  28          HB2       HIS  28  10.435   0.517   0.202
  180   2HB   HIS  28          HB1       HIS  28  11.647  -0.749   0.003
  181    HD1  HIS  28           HD1      HIS  28   9.276   1.413  -1.928
  182    HD2  HIS  28           HD2      HIS  28  12.041  -1.612  -2.696
  183    HE1  HIS  28           HE1      HIS  28   9.630   1.386  -4.436
  184    H    ASP  29           HN       ASP  29   8.963  -1.535   2.602
  185    HA   ASP  29           HA       ASP  29   9.914  -4.078   3.378
  186   1HB   ASP  29          HB2       ASP  29  12.116  -3.353   4.413
  187   2HB   ASP  29          HB1       ASP  29  12.115  -3.377   2.656
  188    H    LYS  30           HN       LYS  30  10.062  -0.670   4.496
  189    HA   LYS  30           HA       LYS  30   9.190  -1.579   7.200
  190   1HB   LYS  30          HB2       LYS  30  11.172   0.049   6.484
  191   2HB   LYS  30          HB1       LYS  30   9.877   1.248   6.487
  192   1HG   LYS  30          HG2       LYS  30   9.758   1.262   8.743
  193   2HG   LYS  30          HG1       LYS  30   9.787  -0.500   8.829
  194   1HD   LYS  30          HD2       LYS  30  12.011  -0.553   9.248
  195   2HD   LYS  30          HD1       LYS  30  12.357   0.650   8.005
  196   1HE   LYS  30          HE2       LYS  30  12.190   2.424   9.482
  197   2HE   LYS  30          HE1       LYS  30  10.997   1.594  10.501
  198   1HZ   LYS  30          HZ1       LYS  30  12.782  -0.008  11.091
  199   2HZ   LYS  30          HZ2       LYS  30  13.073   1.570  11.652
  200   3HZ   LYS  30          HZ3       LYS  30  13.896   0.985  10.285
  201    H    CYS  31           HN       CYS  31   7.536  -0.190   8.300
  202    HA   CYS  31           HA       CYS  31   5.285   0.327   6.443
  203   1HB   CYS  31          HB2       CYS  31   5.417  -1.006   8.747
  204   2HB   CYS  31          HB1       CYS  31   5.134   0.599   9.421
  205    H    VAL  32           HN       VAL  32   5.480   2.366   5.574
  206    HA   VAL  32           HA       VAL  32   5.436   4.671   7.453
  207    HB   VAL  32           HB       VAL  32   7.266   5.734   6.227
  208   1HG1  VAL  32          HG11      VAL  32   7.649   3.876   8.038
  209   2HG1  VAL  32          HG12      VAL  32   9.022   4.449   7.092
  210   3HG1  VAL  32          HG13      VAL  32   8.240   2.925   6.675
  211   1HG2  VAL  32          HG21      VAL  32   6.596   4.601   4.035
  212   2HG2  VAL  32          HG22      VAL  32   7.486   3.189   4.604
  213   3HG2  VAL  32          HG23      VAL  32   8.329   4.716   4.339
  214    H    ARG  33           HN       ARG  33   4.944   6.742   6.075
  215    HA   ARG  33           HA       ARG  33   3.031   5.961   3.905
  216   1HB   ARG  33          HB2       ARG  33   2.430   7.141   6.210
  217   2HB   ARG  33          HB1       ARG  33   2.932   8.590   5.335
  218   1HG   ARG  33          HG2       ARG  33   1.373   7.355   3.458
  219   2HG   ARG  33          HG1       ARG  33   0.549   6.887   4.946
  220   1HD   ARG  33          HD2       ARG  33   0.384   9.243   5.631
  221   2HD   ARG  33          HD1       ARG  33   1.264   9.740   4.171
  222    HE   ARG  33           HE       ARG  33  -1.404   8.381   4.125
  223   1HH1  ARG  33          HH21      ARG  33   0.689   8.540   1.766
  224   2HH1  ARG  33          HH22      ARG  33  -0.063   9.776   0.814
  225   1HH2  ARG  33          HH11      ARG  33  -2.234  10.764   3.330
  226   2HH2  ARG  33          HH12      ARG  33  -1.718  11.036   1.699
  227    H    SER  34           HN       SER  34   2.742   7.690   2.217
  228    HA   SER  34           HA       SER  34   4.855   8.205   0.599
  229   1HB   SER  34          HB2       SER  34   2.376   8.850   0.418
  230   2HB   SER  34          HB1       SER  34   2.821  10.353   1.222
  231    HG   SER  34           HG       SER  34   4.349   9.492  -0.957
  232    H    GLU  35           HN       GLU  35   3.861  10.624   3.067
  233    HA   GLU  35           HA       GLU  35   6.020  12.409   2.690
  234   1HB   GLU  35          HB2       GLU  35   3.904  11.848   4.616
  235   2HB   GLU  35          HB1       GLU  35   5.342  12.512   5.394
  236   1HG   GLU  35          HG2       GLU  35   5.314  14.460   4.025
  237   2HG   GLU  35          HG1       GLU  35   4.156  13.744   2.903
  238    H    GLU  36           HN       GLU  36   6.072   9.259   4.171
  239    HA   GLU  36           HA       GLU  36   8.760   9.897   5.350
  240   1HB   GLU  36          HB2       GLU  36   6.376   8.544   6.310
  241   2HB   GLU  36          HB1       GLU  36   7.790   7.495   6.425
  242   1HG   GLU  36          HG2       GLU  36   8.904   8.913   7.887
  243   2HG   GLU  36          HG1       GLU  36   8.041  10.342   7.320
  244    H    CYS  37           HN       CYS  37   7.274   8.289   2.793
  245    HA   CYS  37           HA       CYS  37   8.870   5.872   2.681
  246   1HB   CYS  37          HB2       CYS  37   7.050   7.457   0.912
  247   2HB   CYS  37          HB1       CYS  37   8.089   6.256   0.147
  248    H    LEU  38           HN       LEU  38  10.852   5.545   1.628
  249    HA   LEU  38           HA       LEU  38  12.723   7.648   1.378
  250   1HB   LEU  38          HB2       LEU  38  12.427   4.819   0.525
  251   2HB   LEU  38          HB1       LEU  38  13.650   5.750  -0.340
  252    HG   LEU  38           HG       LEU  38  14.483   4.575   1.748
  253   1HD1  LEU  38          HD11      LEU  38  14.725   7.553   2.095
  254   2HD1  LEU  38          HD12      LEU  38  15.377   6.787   0.646
  255   3HD1  LEU  38          HD13      LEU  38  15.971   6.312   2.238
  256   1HD2  LEU  38          HD21      LEU  38  12.824   6.726   3.105
  257   2HD2  LEU  38          HD22      LEU  38  13.881   5.561   3.905
  258   3HD2  LEU  38          HD23      LEU  38  12.419   5.009   3.086
  259    H    SER  39           HN       SER  39  11.158   5.893  -1.333
  260    HA   SER  39           HA       SER  39  11.713   8.223  -3.103
  261   1HB   SER  39          HB2       SER  39  11.986   5.500  -3.377
  262   2HB   SER  39          HB1       SER  39  10.440   5.783  -4.172
  263    HG   SER  39           HG       SER  39  12.833   7.231  -4.676
  264    H    GLY  40           HN       GLY  40   9.834   8.576  -4.774
  265   1HA   GLY  40          HA2       GLY  40   7.458   9.301  -3.274
  266   2HA   GLY  40          HA1       GLY  40   7.674   9.487  -5.016
  267    H    THR  41           HN       THR  41   7.548   6.692  -2.767
  268    HA   THR  41           HA       THR  41   5.359   5.558  -4.460
  269    HB   THR  41           HB       THR  41   7.558   4.688  -5.193
  270    HG1  THR  41           HG1      THR  41   5.531   3.346  -4.828
  271   1HG2  THR  41          HG21      THR  41   9.182   4.248  -3.704
  272   2HG2  THR  41          HG22      THR  41   8.160   3.058  -2.899
  273   3HG2  THR  41          HG23      THR  41   8.092   4.751  -2.412
  274    H    TRP  42           HN       TRP  42   3.857   4.344  -3.280
  275    HA   TRP  42           HA       TRP  42   4.430   3.665  -0.440
  276   1HB   TRP  42          HB2       TRP  42   3.541   6.004  -0.566
  277   2HB   TRP  42          HB1       TRP  42   2.103   5.380  -1.373
  278    HD1  TRP  42           HD1      TRP  42   4.060   4.520   1.858
  279    HE1  TRP  42           HE1      TRP  42   2.346   4.073   3.726
  280    HE3  TRP  42           HE3      TRP  42  -0.281   5.201  -0.743
  281    HZ2  TRP  42           HZ2      TRP  42  -0.493   4.009   4.075
  282    HZ3  TRP  42           HZ3      TRP  42  -2.474   4.941   0.381
  283    HH2  TRP  42           HH2      TRP  42  -2.586   4.347   2.785
  284    H    THR  43           HN       THR  43   3.451   1.682   0.045
  285    HA   THR  43           HA       THR  43   1.234   0.796  -1.777
  286    HB   THR  43           HB       THR  43   3.294  -0.318  -2.387
  287    HG1  THR  43           HG1      THR  43   2.608  -2.380  -2.124
  288   1HG2  THR  43          HG21      THR  43   3.522  -0.889   0.577
  289   2HG2  THR  43          HG22      THR  43   4.622   0.071  -0.413
  290   3HG2  THR  43          HG23      THR  43   4.518  -1.674  -0.649
  291    H    GLN  44           HN       GLN  44  -0.446  -0.340  -0.801
  292    HA   GLN  44           HA       GLN  44  -0.320  -0.649   2.182
  293   1HB   GLN  44          HB2       GLN  44  -1.940   1.001   0.530
  294   2HB   GLN  44          HB1       GLN  44  -2.987  -0.276   1.152
  295   1HG   GLN  44          HG2       GLN  44  -1.142   0.867   3.150
  296   2HG   GLN  44          HG1       GLN  44  -2.346   2.000   2.534
  297   1HE2  GLN  44          HE21      GLN  44  -4.630   0.579   2.220
  298   2HE2  GLN  44          HE22      GLN  44  -5.095  -0.196   3.657
  299    H    GLN  45           HN       GLN  45  -0.026  -2.494  -0.342
  300    HA   GLN  45           HA       GLN  45  -1.594  -4.722   0.814
  301   1HB   GLN  45          HB2       GLN  45  -2.436  -3.125  -1.427
  302   2HB   GLN  45          HB1       GLN  45  -2.079  -4.757  -1.993
  303   1HG   GLN  45          HG2       GLN  45  -3.442  -5.186   0.391
  304   2HG   GLN  45          HG1       GLN  45  -4.292  -3.817  -0.330
  305   1HE2  GLN  45          HE21      GLN  45  -2.872  -6.947  -1.466
  306   2HE2  GLN  45          HE22      GLN  45  -4.176  -7.332  -2.482
  307    H    ILE  46           HN       ILE  46   0.244  -5.996   1.094
  308    HA   ILE  46           HA       ILE  46   1.575  -6.970  -1.367
  309    HB   ILE  46           HB       ILE  46   2.904  -5.045  -0.731
  310   1HG1  ILE  46          HG12      ILE  46   4.620  -7.085   0.535
  311   2HG1  ILE  46          HG11      ILE  46   3.908  -7.585  -1.000
  312   1HG2  ILE  46          HG21      ILE  46   3.348  -4.431   1.417
  313   2HG2  ILE  46          HG22      ILE  46   3.635  -6.090   1.939
  314   3HG2  ILE  46          HG23      ILE  46   1.985  -5.483   1.797
  315   1HD1  ILE  46          HD11      ILE  46   4.671  -5.239  -1.845
  316   2HD1  ILE  46          HD12      ILE  46   5.883  -6.509  -1.676
  317   3HD1  ILE  46          HD13      ILE  46   5.737  -5.260  -0.440
  318    H    CYS  47           HN       CYS  47   1.243  -7.140   2.167
  319    HA   CYS  47           HA       CYS  47   1.563 -10.112   1.993
  320   1HB   CYS  47          HB2       CYS  47   2.752  -9.761   4.293
  321   2HB   CYS  47          HB1       CYS  47   3.658  -9.400   2.824
  322    H    LEU  48           HN       LEU  48   0.574 -11.213   3.906
  323    HA   LEU  48           HA       LEU  48  -2.021 -10.079   4.569
  324   1HB   LEU  48          HB2       LEU  48  -0.429 -12.556   5.138
  325   2HB   LEU  48          HB1       LEU  48  -1.843 -12.225   6.139
  326    HG   LEU  48           HG       LEU  48  -2.680 -11.712   3.507
  327   1HD1  LEU  48          HD11      LEU  48  -0.487 -13.093   3.038
  328   2HD1  LEU  48          HD12      LEU  48  -1.966 -13.481   2.159
  329   3HD1  LEU  48          HD13      LEU  48  -1.477 -14.466   3.538
  330   1HD2  LEU  48          HD21      LEU  48  -4.172 -12.652   5.099
  331   2HD2  LEU  48          HD22      LEU  48  -3.075 -13.987   5.458
  332   3HD2  LEU  48          HD23      LEU  48  -3.926 -13.936   3.914
  Start of MODEL   16
    1   1H    GLY   1           HT1      GLY   1   5.003  11.870  11.075
    2   2H    GLY   1           HT2      GLY   1   5.603  12.986  12.207
    3   3H    GLY   1           HT3      GLY   1   3.968  13.033  11.747
    4   1HA   GLY   1          HA2       GLY   1   3.943  10.601  12.637
    5   2HA   GLY   1          HA1       GLY   1   5.348  11.165  13.544
    6    H    SER   2           HN       SER   2   1.901  11.334  13.257
    7    HA   SER   2           HA       SER   2   1.841  13.150  15.645
    8   1HB   SER   2          HB2       SER   2   1.128  14.128  13.405
    9   2HB   SER   2          HB1       SER   2  -0.205  12.977  13.415
   10    HG   SER   2           HG       SER   2  -0.493  13.947  15.677
   11    H    ALA   3           HN       ALA   3  -0.128  10.783  13.801
   12    HA   ALA   3           HA       ALA   3  -1.630  10.064  16.237
   13   1HB   ALA   3          HB1       ALA   3  -3.038  10.043  14.418
   14   2HB   ALA   3          HB2       ALA   3  -2.478   8.374  14.305
   15   3HB   ALA   3          HB3       ALA   3  -1.745   9.621  13.296
   16    H    MET   4           HN       MET   4  -1.862   7.670  16.733
   17    HA   MET   4           HA       MET   4   0.756   6.247  16.371
   18   1HB   MET   4          HB2       MET   4  -1.200   6.222  18.695
   19   2HB   MET   4          HB1       MET   4   0.349   5.382  18.645
   20   1HG   MET   4          HG2       MET   4   1.433   7.648  18.241
   21   2HG   MET   4          HG1       MET   4  -0.129   8.369  18.624
   22   1HE   MET   4          HE1       MET   4   0.775   9.764  20.551
   23   2HE   MET   4          HE2       MET   4   2.388   9.183  20.139
   24   3HE   MET   4          HE3       MET   4   1.852   9.159  21.817
   25    H    GLY   5           HN       GLY   5  -0.063   5.041  14.525
   26   1HA   GLY   5          HA2       GLY   5  -2.052   2.953  15.299
   27   2HA   GLY   5          HA1       GLY   5  -2.209   3.792  13.757
   28    H    CYS   6           HN       CYS   6  -1.229   2.846  12.038
   29    HA   CYS   6           HA       CYS   6   0.076   0.346  12.154
   30   1HB   CYS   6          HB2       CYS   6   0.694   0.917   9.802
   31   2HB   CYS   6          HB1       CYS   6  -0.992   1.284  10.169
   32    H    ARG   7           HN       ARG   7   1.480   3.623  12.138
   33    HA   ARG   7           HA       ARG   7   4.202   2.927  11.767
   34   1HB   ARG   7          HB2       ARG   7   2.770   5.108  13.303
   35   2HB   ARG   7          HB1       ARG   7   4.525   5.079  13.134
   36   1HG   ARG   7          HG2       ARG   7   4.464   5.508  10.873
   37   2HG   ARG   7          HG1       ARG   7   2.891   4.744  10.666
   38   1HD   ARG   7          HD2       ARG   7   2.042   6.853  10.626
   39   2HD   ARG   7          HD1       ARG   7   2.364   6.894  12.371
   40    HE   ARG   7           HE       ARG   7   4.093   8.411  11.861
   41   1HH1  ARG   7          HH21      ARG   7   2.979   7.851   8.879
   42   2HH1  ARG   7          HH22      ARG   7   4.508   7.751   8.070
   43   1HH2  ARG   7          HH11      ARG   7   6.347   7.547  11.001
   44   2HH2  ARG   7          HH12      ARG   7   6.414   7.578   9.271
   45    H    HIS   8           HN       HIS   8   2.095   2.243  14.403
   46    HA   HIS   8           HA       HIS   8   4.385   1.718  16.244
   47   1HB   HIS   8          HB2       HIS   8   2.951   2.637  17.734
   48   2HB   HIS   8          HB1       HIS   8   1.750   2.813  16.462
   49    HD1  HIS   8           HD1      HIS   8   2.794   0.512  19.255
   50    HD2  HIS   8           HD2      HIS   8  -0.311   0.869  16.499
   51    HE1  HIS   8           HE1      HIS   8   1.008  -1.132  19.973
   52    H    PHE   9           HN       PHE   9   2.044   0.168  14.224
   53    HA   PHE   9           HA       PHE   9   1.643  -2.342  15.449
   54   1HB   PHE   9          HB2       PHE   9   1.973  -1.420  12.588
   55   2HB   PHE   9          HB1       PHE   9   1.522  -3.074  12.984
   56    HD1  PHE   9           HD1      PHE   9  -0.477  -2.172  11.476
   57    HD2  PHE   9           HD2      PHE   9   0.278  -0.971  15.525
   58    HE1  PHE   9           HE1      PHE   9  -2.846  -1.475  11.703
   59    HE2  PHE   9           HE2      PHE   9  -2.092  -0.270  15.756
   60    HZ   PHE   9           HZ       PHE   9  -3.653  -0.522  13.846
   61    H    GLN  10           HN       GLN  10   2.739  -4.263  13.723
   62    HA   GLN  10           HA       GLN  10   5.677  -4.040  14.281
   63   1HB   GLN  10          HB2       GLN  10   5.317  -6.677  14.333
   64   2HB   GLN  10          HB1       GLN  10   4.971  -5.694  15.752
   65   1HG   GLN  10          HG2       GLN  10   2.594  -5.607  15.142
   66   2HG   GLN  10          HG1       GLN  10   2.920  -6.545  13.684
   67   1HE2  GLN  10          HE21      GLN  10   1.122  -7.523  15.684
   68   2HE2  GLN  10          HE22      GLN  10   1.822  -8.884  16.417
   69    H    SER  11           HN       SER  11   4.404  -6.814  12.617
   70    HA   SER  11           HA       SER  11   6.012  -6.270  10.267
   71   1HB   SER  11          HB2       SER  11   4.312  -8.320   9.619
   72   2HB   SER  11          HB1       SER  11   5.807  -8.523  10.526
   73    HG   SER  11           HG       SER  11   3.154  -8.501  11.390
   74    H    CYS  12           HN       CYS  12   4.762  -6.664   8.040
   75    HA   CYS  12           HA       CYS  12   3.066  -4.370   7.603
   76   1HB   CYS  12          HB2       CYS  12   2.910  -5.412   5.315
   77   2HB   CYS  12          HB1       CYS  12   4.565  -5.251   5.904
   78    H    SER  13           HN       SER  13   2.361  -7.386   8.930
   79    HA   SER  13           HA       SER  13  -0.109  -8.116   7.748
   80   1HB   SER  13          HB2       SER  13   0.797  -8.305  10.636
   81   2HB   SER  13          HB1       SER  13  -0.439  -9.306   9.877
   82    HG   SER  13           HG       SER  13   1.450  -9.672   8.293
   83    H    GLN  14           HN       GLN  14   0.299  -6.288  10.815
   84    HA   GLN  14           HA       GLN  14  -2.476  -5.437  10.844
   85   1HB   GLN  14          HB2       GLN  14  -0.781  -5.769  12.767
   86   2HB   GLN  14          HB1       GLN  14  -0.155  -4.182  12.319
   87   1HG   GLN  14          HG2       GLN  14  -1.745  -3.419  13.766
   88   2HG   GLN  14          HG1       GLN  14  -2.830  -3.664  12.397
   89   1HE2  GLN  14          HE21      GLN  14  -4.155  -3.886  14.714
   90   2HE2  GLN  14          HE22      GLN  14  -4.414  -5.502  15.165
   91    H    CYS  15           HN       CYS  15   0.589  -3.947   9.854
   92    HA   CYS  15           HA       CYS  15  -0.168  -1.272   9.534
   93   1HB   CYS  15          HB2       CYS  15   1.774  -3.175   8.402
   94   2HB   CYS  15          HB1       CYS  15   1.435  -1.794   7.357
   95    H    LEU  16           HN       LEU  16  -0.930  -4.048   7.470
   96    HA   LEU  16           HA       LEU  16  -2.483  -2.219   5.682
   97   1HB   LEU  16          HB2       LEU  16  -1.116  -4.887   5.335
   98   2HB   LEU  16          HB1       LEU  16  -2.292  -4.298   4.157
   99    HG   LEU  16           HG       LEU  16  -0.959  -2.194   3.939
  100   1HD1  LEU  16          HD11      LEU  16   0.362  -1.838   5.771
  101   2HD1  LEU  16          HD12      LEU  16   1.536  -2.756   4.829
  102   3HD1  LEU  16          HD13      LEU  16   0.581  -3.561   6.075
  103   1HD2  LEU  16          HD21      LEU  16  -0.625  -4.390   2.575
  104   2HD2  LEU  16          HD22      LEU  16   0.889  -4.521   3.463
  105   3HD2  LEU  16          HD23      LEU  16   0.584  -3.119   2.436
  106    H    SER  17           HN       SER  17  -2.903  -4.391   8.218
  107    HA   SER  17           HA       SER  17  -5.445  -5.547   7.222
  108   1HB   SER  17          HB2       SER  17  -3.782  -6.825   8.587
  109   2HB   SER  17          HB1       SER  17  -4.062  -5.710   9.919
  110    HG   SER  17           HG       SER  17  -6.282  -6.900   8.725
  111    H    ALA  18           HN       ALA  18  -4.388  -2.734   8.841
  112    HA   ALA  18           HA       ALA  18  -7.201  -2.090   9.593
  113   1HB   ALA  18          HB1       ALA  18  -6.222  -2.938  11.615
  114   2HB   ALA  18          HB2       ALA  18  -6.186  -1.181  11.766
  115   3HB   ALA  18          HB3       ALA  18  -4.720  -2.060  11.332
  116    HA   PRO  19           HA       PRO  19  -4.843   1.279   7.443
  117   1HB   PRO  19          HB2       PRO  19  -6.600   1.607   5.375
  118   2HB   PRO  19          HB1       PRO  19  -5.238   0.471   5.341
  119   1HG   PRO  19          HG2       PRO  19  -8.121  -0.046   5.773
  120   2HG   PRO  19          HG1       PRO  19  -6.899  -1.044   4.978
  121   1HD   PRO  19          HD2       PRO  19  -7.850  -1.463   7.536
  122   2HD   PRO  19          HD1       PRO  19  -6.303  -2.071   6.912
  123    HA   PRO  20           HA       PRO  20  -8.902   3.783   8.041
  124   1HB   PRO  20          HB2       PRO  20 -10.727   2.738   9.792
  125   2HB   PRO  20          HB1       PRO  20 -10.801   2.473   8.039
  126   1HG   PRO  20          HG2       PRO  20  -9.834   0.668  10.186
  127   2HG   PRO  20          HG1       PRO  20 -10.707   0.287   8.696
  128   1HD   PRO  20          HD2       PRO  20  -8.023  -0.076   9.043
  129   2HD   PRO  20          HD1       PRO  20  -8.795   0.154   7.465
  130    H    PHE  21           HN       PHE  21  -7.677   1.783  10.707
  131    HA   PHE  21           HA       PHE  21  -7.881   4.044  12.611
  132   1HB   PHE  21          HB2       PHE  21  -6.584   1.343  13.016
  133   2HB   PHE  21          HB1       PHE  21  -7.311   2.390  14.233
  134    HD1  PHE  21           HD1      PHE  21  -7.887  -0.631  13.193
  135    HD2  PHE  21           HD2      PHE  21  -9.815   3.185  12.793
  136    HE1  PHE  21           HE1      PHE  21 -10.066  -1.768  12.865
  137    HE2  PHE  21           HE2      PHE  21 -11.995   2.050  12.465
  138    HZ   PHE  21           HZ       PHE  21 -12.120  -0.427  12.502
  139    H    VAL  22           HN       VAL  22  -5.911   3.645  10.142
  140    HA   VAL  22           HA       VAL  22  -3.545   4.701  11.621
  141    HB   VAL  22           HB       VAL  22  -2.112   3.132  10.418
  142   1HG1  VAL  22          HG11      VAL  22  -2.905   1.025  11.428
  143   2HG1  VAL  22          HG12      VAL  22  -4.503   1.739  11.658
  144   3HG1  VAL  22          HG13      VAL  22  -3.117   2.376  12.542
  145   1HG2  VAL  22          HG21      VAL  22  -3.470   1.252   9.164
  146   2HG2  VAL  22          HG22      VAL  22  -3.083   2.756   8.331
  147   3HG2  VAL  22          HG23      VAL  22  -4.690   2.516   9.013
  148    H    GLN  23           HN       GLN  23  -1.815   5.054   9.539
  149    HA   GLN  23           HA       GLN  23  -3.264   6.347   7.293
  150   1HB   GLN  23          HB2       GLN  23  -3.265   8.177   8.738
  151   2HB   GLN  23          HB1       GLN  23  -1.770   7.682   9.529
  152   1HG   GLN  23          HG2       GLN  23  -0.432   8.637   7.904
  153   2HG   GLN  23          HG1       GLN  23  -1.636   8.420   6.633
  154   1HE2  GLN  23          HE21      GLN  23  -3.741   9.822   7.049
  155   2HE2  GLN  23          HE22      GLN  23  -3.471  11.407   7.595
  156    H    CYS  24           HN       CYS  24  -0.151   5.563   8.837
  157    HA   CYS  24           HA       CYS  24   1.509   6.045   6.545
  158   1HB   CYS  24          HB2       CYS  24   3.178   5.129   7.934
  159   2HB   CYS  24          HB1       CYS  24   1.974   5.638   9.111
  160    H    GLY  25           HN       GLY  25   2.769   4.072   5.555
  161   1HA   GLY  25          HA2       GLY  25   1.022   1.715   5.105
  162   2HA   GLY  25          HA1       GLY  25   1.487   2.666   3.692
  163    H    TRP  26           HN       TRP  26   2.408   0.229   3.410
  164    HA   TRP  26           HA       TRP  26   5.036  -0.113   4.735
  165   1HB   TRP  26          HB2       TRP  26   3.224  -1.889   4.105
  166   2HB   TRP  26          HB1       TRP  26   3.877  -1.754   2.480
  167    HD1  TRP  26           HD1      TRP  26   6.064  -3.010   1.956
  168    HE1  TRP  26           HE1      TRP  26   7.679  -4.470   3.338
  169    HE3  TRP  26           HE3      TRP  26   4.271  -2.114   6.648
  170    HZ2  TRP  26           HZ2      TRP  26   8.143  -5.168   6.071
  171    HZ3  TRP  26           HZ3      TRP  26   5.311  -3.191   8.623
  172    HH2  TRP  26           HH2      TRP  26   7.248  -4.714   8.339
  173    H    CYS  27           HN       CYS  27   7.004   0.332   3.674
  174    HA   CYS  27           HA       CYS  27   6.832   1.207   0.811
  175   1HB   CYS  27          HB2       CYS  27   6.785   2.891   2.886
  176   2HB   CYS  27          HB1       CYS  27   8.531   2.690   2.761
  177    H    HIS  28           HN       HIS  28   8.029  -0.556   0.027
  178    HA   HIS  28           HA       HIS  28   9.963  -1.752  -0.552
  179   1HB   HIS  28          HB2       HIS  28  10.529   0.868  -0.445
  180   2HB   HIS  28          HB1       HIS  28  11.653   0.292   0.787
  181    HD1  HIS  28           HD1      HIS  28  10.622  -1.482  -2.417
  182    HD2  HIS  28           HD2      HIS  28  14.027   0.156  -0.659
  183    HE1  HIS  28           HE1      HIS  28  12.566  -2.085  -3.924
  184    H    ASP  29           HN       ASP  29   9.247  -1.289   2.781
  185    HA   ASP  29           HA       ASP  29  10.467  -3.687   3.621
  186   1HB   ASP  29          HB2       ASP  29  12.464  -2.507   4.850
  187   2HB   ASP  29          HB1       ASP  29  12.621  -2.894   3.138
  188    H    LYS  30           HN       LYS  30  10.479  -0.343   4.954
  189    HA   LYS  30           HA       LYS  30   9.312  -1.412   7.477
  190   1HB   LYS  30          HB2       LYS  30  11.320  -0.007   7.557
  191   2HB   LYS  30          HB1       LYS  30  10.491   1.265   6.662
  192   1HG   LYS  30          HG2       LYS  30  10.446   1.849   9.010
  193   2HG   LYS  30          HG1       LYS  30   8.813   1.394   8.529
  194   1HD   LYS  30          HD2       LYS  30   8.870  -0.596   9.714
  195   2HD   LYS  30          HD1       LYS  30  10.624  -0.741   9.586
  196   1HE   LYS  30          HE2       LYS  30  10.926   1.069  11.221
  197   2HE   LYS  30          HE1       LYS  30   9.168   1.294  11.315
  198   1HZ   LYS  30          HZ1       LYS  30   9.886  -0.176  13.074
  199   2HZ   LYS  30          HZ2       LYS  30  10.657  -1.198  11.958
  200   3HZ   LYS  30          HZ3       LYS  30   8.965  -1.052  11.952
  201    H    CYS  31           HN       CYS  31   7.546  -0.117   8.500
  202    HA   CYS  31           HA       CYS  31   5.459   0.507   6.517
  203   1HB   CYS  31          HB2       CYS  31   5.382  -0.825   8.799
  204   2HB   CYS  31          HB1       CYS  31   5.181   0.784   9.494
  205    H    VAL  32           HN       VAL  32   5.762   2.530   5.645
  206    HA   VAL  32           HA       VAL  32   5.572   4.850   7.486
  207    HB   VAL  32           HB       VAL  32   7.538   5.882   6.584
  208   1HG1  VAL  32          HG11      VAL  32   7.882   3.924   8.181
  209   2HG1  VAL  32          HG12      VAL  32   9.276   4.345   7.184
  210   3HG1  VAL  32          HG13      VAL  32   8.279   2.952   6.763
  211   1HG2  VAL  32          HG21      VAL  32   8.804   4.491   4.741
  212   2HG2  VAL  32          HG22      VAL  32   7.457   5.529   4.273
  213   3HG2  VAL  32          HG23      VAL  32   7.212   3.791   4.449
  214    H    ARG  33           HN       ARG  33   5.275   6.908   5.964
  215    HA   ARG  33           HA       ARG  33   3.587   6.052   3.637
  216   1HB   ARG  33          HB2       ARG  33   2.873   7.360   5.979
  217   2HB   ARG  33          HB1       ARG  33   3.022   8.674   4.811
  218   1HG   ARG  33          HG2       ARG  33   1.634   7.193   3.227
  219   2HG   ARG  33          HG1       ARG  33   1.250   6.234   4.656
  220   1HD   ARG  33          HD2       ARG  33  -0.039   7.913   5.605
  221   2HD   ARG  33          HD1       ARG  33   0.901   9.206   4.832
  222    HE   ARG  33           HE       ARG  33  -1.248   7.627   3.536
  223   1HH1  ARG  33          HH11      ARG  33  -1.312  10.580   3.479
  224   2HH1  ARG  33          HH12      ARG  33  -0.671  10.952   1.913
  225   1HH2  ARG  33          HH21      ARG  33   0.719   7.810   1.440
  226   2HH2  ARG  33          HH22      ARG  33   0.479   9.384   0.759
  227    H    SER  34           HN       SER  34   3.279   8.020   2.088
  228    HA   SER  34           HA       SER  34   5.549   8.624   0.664
  229   1HB   SER  34          HB2       SER  34   2.883   9.449   0.767
  230   2HB   SER  34          HB1       SER  34   3.798  10.948   0.882
  231    HG   SER  34           HG       SER  34   5.066   9.814  -0.935
  232    H    GLU  35           HN       GLU  35   4.516  10.191   3.660
  233    HA   GLU  35           HA       GLU  35   6.256  12.458   3.584
  234   1HB   GLU  35          HB2       GLU  35   4.272  11.690   5.151
  235   2HB   GLU  35          HB1       GLU  35   5.574  10.987   6.114
  236   1HG   GLU  35          HG2       GLU  35   6.710  13.299   5.919
  237   2HG   GLU  35          HG1       GLU  35   5.129  13.886   5.401
  238    H    GLU  36           HN       GLU  36   6.843   9.079   4.313
  239    HA   GLU  36           HA       GLU  36   9.601   9.739   5.263
  240   1HB   GLU  36          HB2       GLU  36   7.598   7.567   5.692
  241   2HB   GLU  36          HB1       GLU  36   9.301   7.115   5.775
  242   1HG   GLU  36          HG2       GLU  36   8.136   9.455   7.306
  243   2HG   GLU  36          HG1       GLU  36   8.276   7.831   7.984
  244    H    CYS  37           HN       CYS  37   7.786   8.044   2.750
  245    HA   CYS  37           HA       CYS  37  10.022   6.576   1.640
  246   1HB   CYS  37          HB2       CYS  37   7.439   7.570   0.387
  247   2HB   CYS  37          HB1       CYS  37   8.462   6.284  -0.252
  248    H    LEU  38           HN       LEU  38  11.810   7.878   1.121
  249    HA   LEU  38           HA       LEU  38  11.856  10.524   0.200
  250   1HB   LEU  38          HB2       LEU  38  13.574   8.162   0.233
  251   2HB   LEU  38          HB1       LEU  38  13.901   9.185  -1.164
  252    HG   LEU  38           HG       LEU  38  13.524  10.727   1.295
  253   1HD1  LEU  38          HD11      LEU  38  15.433   8.437   1.223
  254   2HD1  LEU  38          HD12      LEU  38  14.617   9.178   2.600
  255   3HD1  LEU  38          HD13      LEU  38  16.028   9.959   1.887
  256   1HD2  LEU  38          HD21      LEU  38  14.530  11.354  -1.028
  257   2HD2  LEU  38          HD22      LEU  38  15.996  10.575  -0.430
  258   3HD2  LEU  38          HD23      LEU  38  15.327  11.969   0.419
  259    H    SER  39           HN       SER  39  11.557   7.529  -1.720
  260    HA   SER  39           HA       SER  39  11.308   8.983  -4.254
  261   1HB   SER  39          HB2       SER  39  10.521   6.422  -4.736
  262   2HB   SER  39          HB1       SER  39  12.210   6.909  -4.636
  263    HG   SER  39           HG       SER  39  11.604   5.101  -3.270
  264    H    GLY  40           HN       GLY  40   9.226   7.744  -5.542
  265   1HA   GLY  40          HA2       GLY  40   6.856   8.670  -3.975
  266   2HA   GLY  40          HA1       GLY  40   6.949   8.686  -5.737
  267    H    THR  41           HN       THR  41   7.504   6.234  -3.184
  268    HA   THR  41           HA       THR  41   5.666   4.409  -4.698
  269    HB   THR  41           HB       THR  41   8.023   3.847  -5.084
  270    HG1  THR  41           HG1      THR  41   7.351   1.952  -3.177
  271   1HG2  THR  41          HG21      THR  41   9.560   4.214  -3.489
  272   2HG2  THR  41          HG22      THR  41   8.795   3.001  -2.460
  273   3HG2  THR  41          HG23      THR  41   8.277   4.685  -2.375
  274    H    TRP  42           HN       TRP  42   4.045   3.632  -3.411
  275    HA   TRP  42           HA       TRP  42   4.524   3.220  -0.508
  276   1HB   TRP  42          HB2       TRP  42   3.756   5.593  -0.959
  277   2HB   TRP  42          HB1       TRP  42   2.256   4.917  -1.597
  278    HD1  TRP  42           HD1      TRP  42   4.363   4.439   1.625
  279    HE1  TRP  42           HE1      TRP  42   2.736   4.320   3.623
  280    HE3  TRP  42           HE3      TRP  42  -0.085   4.912  -0.836
  281    HZ2  TRP  42           HZ2      TRP  42  -0.083   4.412   4.107
  282    HZ3  TRP  42           HZ3      TRP  42  -2.224   4.896   0.415
  283    HH2  TRP  42           HH2      TRP  42  -2.227   4.647   2.882
  284    H    THR  43           HN       THR  43   3.543   1.305   0.069
  285    HA   THR  43           HA       THR  43   1.286   0.326  -1.657
  286    HB   THR  43           HB       THR  43   3.259  -0.976  -2.062
  287    HG1  THR  43           HG1      THR  43   2.635  -2.912  -0.571
  288   1HG2  THR  43          HG21      THR  43   4.709  -0.311  -0.311
  289   2HG2  THR  43          HG22      THR  43   4.430  -2.029  -0.021
  290   3HG2  THR  43          HG23      THR  43   3.569  -0.821   0.932
  291    H    GLN  44           HN       GLN  44  -0.501  -0.546  -0.556
  292    HA   GLN  44           HA       GLN  44  -0.366  -0.537   2.441
  293   1HB   GLN  44          HB2       GLN  44  -1.745   1.210   0.740
  294   2HB   GLN  44          HB1       GLN  44  -2.979   0.085   1.309
  295   1HG   GLN  44          HG2       GLN  44  -1.073   1.676   3.051
  296   2HG   GLN  44          HG1       GLN  44  -2.802   1.974   2.857
  297   1HE2  GLN  44          HE21      GLN  44  -0.760   0.716   5.063
  298   2HE2  GLN  44          HE22      GLN  44  -1.725  -0.519   5.713
  299    H    GLN  45           HN       GLN  45  -0.360  -2.664   0.134
  300    HA   GLN  45           HA       GLN  45  -2.154  -4.540   1.535
  301   1HB   GLN  45          HB2       GLN  45  -3.186  -3.010  -0.474
  302   2HB   GLN  45          HB1       GLN  45  -2.608  -4.403  -1.389
  303   1HG   GLN  45          HG2       GLN  45  -4.795  -5.023  -0.778
  304   2HG   GLN  45          HG1       GLN  45  -3.790  -5.820   0.432
  305   1HE2  GLN  45          HE21      GLN  45  -6.323  -3.495  -0.024
  306   2HE2  GLN  45          HE22      GLN  45  -6.438  -2.991   1.593
  307    H    ILE  46           HN       ILE  46  -0.476  -6.021   1.855
  308    HA   ILE  46           HA       ILE  46   0.544  -7.412  -0.539
  309    HB   ILE  46           HB       ILE  46   2.240  -5.774  -0.343
  310   1HG1  ILE  46          HG12      ILE  46   3.869  -7.373   1.361
  311   2HG1  ILE  46          HG11      ILE  46   2.807  -8.465   0.475
  312   1HG2  ILE  46          HG21      ILE  46   3.315  -5.408   1.996
  313   2HG2  ILE  46          HG22      ILE  46   1.827  -6.119   2.618
  314   3HG2  ILE  46          HG23      ILE  46   1.764  -4.644   1.654
  315   1HD1  ILE  46          HD11      ILE  46   4.509  -6.297  -0.784
  316   2HD1  ILE  46          HD12      ILE  46   3.476  -7.436  -1.648
  317   3HD1  ILE  46          HD13      ILE  46   4.896  -8.018  -0.778
  318    H    CYS  47           HN       CYS  47   0.360  -7.170   2.998
  319    HA   CYS  47           HA       CYS  47   0.808 -10.125   3.203
  320   1HB   CYS  47          HB2       CYS  47   0.773  -8.086   5.441
  321   2HB   CYS  47          HB1       CYS  47   1.558  -9.665   5.419
  322    H    LEU  48           HN       LEU  48  -1.093 -11.274   3.395
  323    HA   LEU  48           HA       LEU  48  -3.607  -9.953   4.106
  324   1HB   LEU  48          HB2       LEU  48  -2.626 -12.512   3.038
  325   2HB   LEU  48          HB1       LEU  48  -4.026 -12.689   4.096
  326    HG   LEU  48           HG       LEU  48  -4.465 -10.422   2.403
  327   1HD1  LEU  48          HD11      LEU  48  -4.032 -12.942   0.802
  328   2HD1  LEU  48          HD12      LEU  48  -2.738 -11.761   1.005
  329   3HD1  LEU  48          HD13      LEU  48  -4.246 -11.292   0.218
  330   1HD2  LEU  48          HD21      LEU  48  -5.739 -13.169   2.271
  331   2HD2  LEU  48          HD22      LEU  48  -6.475 -11.625   1.842
  332   3HD2  LEU  48          HD23      LEU  48  -6.118 -11.993   3.529
  Start of MODEL   17
    1   1H    GLY   1           HT1      GLY   1  -9.364  -1.617  20.310
    2   2H    GLY   1           HT2      GLY   1 -10.829  -0.864  20.728
    3   3H    GLY   1           HT3      GLY   1 -10.032  -0.439  19.289
    4   1HA   GLY   1          HA2       GLY   1 -11.354  -3.020  19.913
    5   2HA   GLY   1          HA1       GLY   1 -11.849  -1.835  18.705
    6    H    SER   2           HN       SER   2  -8.774  -1.457  18.277
    7    HA   SER   2           HA       SER   2  -8.148  -3.989  16.857
    8   1HB   SER   2          HB2       SER   2  -9.585  -2.233  15.515
    9   2HB   SER   2          HB1       SER   2  -8.049  -1.389  15.349
   10    HG   SER   2           HG       SER   2  -7.191  -3.223  14.382
   11    H    ALA   3           HN       ALA   3  -7.068  -0.564  17.087
   12    HA   ALA   3           HA       ALA   3  -4.606  -1.195  18.435
   13   1HB   ALA   3          HB1       ALA   3  -4.618  -2.116  15.892
   14   2HB   ALA   3          HB2       ALA   3  -3.149  -1.554  16.692
   15   3HB   ALA   3          HB3       ALA   3  -4.030  -0.479  15.605
   16    H    MET   4           HN       MET   4  -2.992   0.812  17.101
   17    HA   MET   4           HA       MET   4  -4.617   3.270  17.679
   18   1HB   MET   4          HB2       MET   4  -1.855   2.362  18.446
   19   2HB   MET   4          HB1       MET   4  -2.206   4.089  18.348
   20   1HG   MET   4          HG2       MET   4  -3.449   4.053  20.242
   21   2HG   MET   4          HG1       MET   4  -4.275   2.570  19.769
   22   1HE   MET   4          HE1       MET   4  -2.122  -0.020  19.916
   23   2HE   MET   4          HE2       MET   4  -3.787   0.552  19.986
   24   3HE   MET   4          HE3       MET   4  -3.036  -0.126  21.428
   25    H    GLY   5           HN       GLY   5  -1.302   2.922  16.429
   26   1HA   GLY   5          HA2       GLY   5  -2.224   4.308  13.941
   27   2HA   GLY   5          HA1       GLY   5  -0.668   4.640  14.702
   28    H    CYS   6           HN       CYS   6  -0.767   3.878  12.037
   29    HA   CYS   6           HA       CYS   6  -0.384   1.023  11.681
   30   1HB   CYS   6          HB2       CYS   6  -1.153   2.293   9.837
   31   2HB   CYS   6          HB1       CYS   6   0.062   3.539  10.076
   32    H    ARG   7           HN       ARG   7   1.772   3.829  12.121
   33    HA   ARG   7           HA       ARG   7   4.256   2.520  11.617
   34   1HB   ARG   7          HB2       ARG   7   3.223   4.958  12.900
   35   2HB   ARG   7          HB1       ARG   7   4.743   4.397  13.596
   36   1HG   ARG   7          HG2       ARG   7   5.922   4.969  11.753
   37   2HG   ARG   7          HG1       ARG   7   4.726   4.256  10.672
   38   1HD   ARG   7          HD2       ARG   7   4.628   7.017  11.937
   39   2HD   ARG   7          HD1       ARG   7   4.725   6.624  10.210
   40    HE   ARG   7           HE       ARG   7   2.465   5.271  11.056
   41   1HH1  ARG   7          HH21      ARG   7   2.780   7.852  12.913
   42   2HH1  ARG   7          HH22      ARG   7   1.567   8.846  12.177
   43   1HH2  ARG   7          HH11      ARG   7   1.249   6.835   9.370
   44   2HH2  ARG   7          HH12      ARG   7   0.700   8.269  10.170
   45    H    HIS   8           HN       HIS   8   2.188   2.643  14.490
   46    HA   HIS   8           HA       HIS   8   4.034   1.510  16.370
   47   1HB   HIS   8          HB2       HIS   8   2.066   2.585  17.163
   48   2HB   HIS   8          HB1       HIS   8   1.027   1.652  16.087
   49    HD1  HIS   8           HD1      HIS   8   3.286   1.125  19.109
   50    HD2  HIS   8           HD2      HIS   8   0.039  -0.683  17.220
   51    HE1  HIS   8           HE1      HIS   8   2.565  -0.791  20.600
   52    H    PHE   9           HN       PHE   9   1.780   0.064  14.037
   53    HA   PHE   9           HA       PHE   9   1.802  -2.624  14.885
   54   1HB   PHE   9          HB2       PHE   9   1.871  -1.477  12.071
   55   2HB   PHE   9          HB1       PHE   9   1.257  -3.068  12.517
   56    HD1  PHE   9           HD1      PHE   9  -0.614  -1.468  11.098
   57    HD2  PHE   9           HD2      PHE   9   0.377  -1.282  15.276
   58    HE1  PHE   9           HE1      PHE   9  -2.839  -0.490  11.586
   59    HE2  PHE   9           HE2      PHE   9  -1.847  -0.305  15.760
   60    HZ   PHE   9           HZ       PHE   9  -3.455   0.092  13.915
   61    H    GLN  10           HN       GLN  10   3.473  -4.060  15.082
   62    HA   GLN  10           HA       GLN  10   6.183  -3.410  14.380
   63   1HB   GLN  10          HB2       GLN  10   4.652  -5.466  15.718
   64   2HB   GLN  10          HB1       GLN  10   5.891  -6.205  14.702
   65   1HG   GLN  10          HG2       GLN  10   7.542  -5.539  16.086
   66   2HG   GLN  10          HG1       GLN  10   6.928  -3.885  16.121
   67   1HE2  GLN  10          HE21      GLN  10   4.331  -4.409  17.235
   68   2HE2  GLN  10          HE22      GLN  10   4.539  -4.952  18.829
   69    H    SER  11           HN       SER  11   4.481  -6.317  13.203
   70    HA   SER  11           HA       SER  11   6.087  -6.348  10.764
   71   1HB   SER  11          HB2       SER  11   4.883  -8.205  12.322
   72   2HB   SER  11          HB1       SER  11   3.653  -8.030  11.075
   73    HG   SER  11           HG       SER  11   6.301  -8.208  10.237
   74    H    CYS  12           HN       CYS  12   4.227  -7.211   8.871
   75    HA   CYS  12           HA       CYS  12   2.932  -4.650   8.142
   76   1HB   CYS  12          HB2       CYS  12   2.767  -5.754   5.949
   77   2HB   CYS  12          HB1       CYS  12   4.398  -5.946   6.593
   78    H    SER  13           HN       SER  13   2.094  -7.686   9.513
   79    HA   SER  13           HA       SER  13  -0.411  -8.367   8.574
   80   1HB   SER  13          HB2       SER  13   0.645  -8.159  11.405
   81   2HB   SER  13          HB1       SER  13  -0.836  -9.018  10.987
   82    HG   SER  13           HG       SER  13   0.795  -9.966   9.306
   83    H    GLN  14           HN       GLN  14   0.021  -6.065  11.312
   84    HA   GLN  14           HA       GLN  14  -2.732  -5.139  11.080
   85   1HB   GLN  14          HB2       GLN  14  -1.105  -5.293  13.118
   86   2HB   GLN  14          HB1       GLN  14  -0.517  -3.729  12.553
   87   1HG   GLN  14          HG2       GLN  14  -2.224  -2.869  13.786
   88   2HG   GLN  14          HG1       GLN  14  -3.243  -3.378  12.437
   89   1HE2  GLN  14          HE21      GLN  14  -3.047  -6.237  12.872
   90   2HE2  GLN  14          HE22      GLN  14  -3.868  -6.597  14.314
   91    H    CYS  15           HN       CYS  15   0.409  -4.012   9.926
   92    HA   CYS  15           HA       CYS  15  -0.054  -1.332   9.323
   93   1HB   CYS  15          HB2       CYS  15   1.397  -3.606   8.009
   94   2HB   CYS  15          HB1       CYS  15   1.325  -2.054   7.172
   95    H    LEU  16           HN       LEU  16  -1.314  -4.194   7.663
   96    HA   LEU  16           HA       LEU  16  -2.818  -2.398   5.798
   97   1HB   LEU  16          HB2       LEU  16  -1.809  -5.245   5.681
   98   2HB   LEU  16          HB1       LEU  16  -2.991  -4.633   4.523
   99    HG   LEU  16           HG       LEU  16  -1.431  -2.794   3.925
  100   1HD1  LEU  16          HD11      LEU  16   1.037  -3.461   4.771
  101   2HD1  LEU  16          HD12      LEU  16   0.106  -4.025   6.157
  102   3HD1  LEU  16          HD13      LEU  16   0.006  -2.337   5.656
  103   1HD2  LEU  16          HD21      LEU  16  -1.420  -5.132   2.833
  104   2HD2  LEU  16          HD22      LEU  16   0.060  -5.413   3.749
  105   3HD2  LEU  16          HD23      LEU  16  -0.008  -4.110   2.562
  106    H    SER  17           HN       SER  17  -3.175  -4.531   8.479
  107    HA   SER  17           HA       SER  17  -5.835  -5.547   7.960
  108   1HB   SER  17          HB2       SER  17  -5.629  -6.372  10.133
  109   2HB   SER  17          HB1       SER  17  -3.938  -6.124   9.720
  110    HG   SER  17           HG       SER  17  -4.692  -5.213  11.774
  111    H    ALA  18           HN       ALA  18  -4.581  -2.527   9.196
  112    HA   ALA  18           HA       ALA  18  -7.376  -1.522   9.464
  113   1HB   ALA  18          HB1       ALA  18  -6.018  -0.441  11.613
  114   2HB   ALA  18          HB2       ALA  18  -5.326  -2.061  11.501
  115   3HB   ALA  18          HB3       ALA  18  -7.067  -1.856  11.693
  116    HA   PRO  19           HA       PRO  19  -4.369   1.395   7.437
  117   1HB   PRO  19          HB2       PRO  19  -5.655   1.569   5.026
  118   2HB   PRO  19          HB1       PRO  19  -4.390   0.379   5.385
  119   1HG   PRO  19          HG2       PRO  19  -7.328   0.035   5.261
  120   2HG   PRO  19          HG1       PRO  19  -6.036  -1.096   4.846
  121   1HD   PRO  19          HD2       PRO  19  -7.507  -1.183   7.183
  122   2HD   PRO  19          HD1       PRO  19  -5.908  -1.922   6.957
  123    HA   PRO  20           HA       PRO  20  -8.277   4.152   7.025
  124   1HB   PRO  20          HB2       PRO  20 -10.520   3.327   8.346
  125   2HB   PRO  20          HB1       PRO  20 -10.206   2.932   6.645
  126   1HG   PRO  20          HG2       PRO  20  -9.894   1.248   9.066
  127   2HG   PRO  20          HG1       PRO  20 -10.414   0.799   7.435
  128   1HD   PRO  20          HD2       PRO  20  -7.911   0.343   8.455
  129   2HD   PRO  20          HD1       PRO  20  -8.286   0.452   6.726
  130    H    PHE  21           HN       PHE  21  -7.647   2.243   9.910
  131    HA   PHE  21           HA       PHE  21  -8.281   4.490  11.729
  132   1HB   PHE  21          HB2       PHE  21  -6.987   1.842  12.403
  133   2HB   PHE  21          HB1       PHE  21  -8.017   2.844  13.426
  134    HD1  PHE  21           HD1      PHE  21  -8.134  -0.194  12.136
  135    HD2  PHE  21           HD2      PHE  21 -10.237   3.517  11.631
  136    HE1  PHE  21           HE1      PHE  21 -10.128  -1.432  11.332
  137    HE2  PHE  21           HE2      PHE  21 -12.231   2.279  10.830
  138    HZ   PHE  21           HZ       PHE  21 -12.176  -0.197  10.680
  139    H    VAL  22           HN       VAL  22  -5.750   3.875   9.739
  140    HA   VAL  22           HA       VAL  22  -3.808   5.147  11.631
  141    HB   VAL  22           HB       VAL  22  -2.105   3.594  10.754
  142   1HG1  VAL  22          HG11      VAL  22  -4.336   1.740  11.427
  143   2HG1  VAL  22          HG12      VAL  22  -3.991   3.014  12.595
  144   3HG1  VAL  22          HG13      VAL  22  -2.729   1.869  12.141
  145   1HG2  VAL  22          HG21      VAL  22  -3.371   1.584   9.451
  146   2HG2  VAL  22          HG22      VAL  22  -2.604   2.933   8.613
  147   3HG2  VAL  22          HG23      VAL  22  -4.344   2.951   8.906
  148    H    GLN  23           HN       GLN  23  -1.731   5.692  10.085
  149    HA   GLN  23           HA       GLN  23  -2.758   6.864   7.528
  150   1HB   GLN  23          HB2       GLN  23  -2.865   8.621   9.162
  151   2HB   GLN  23          HB1       GLN  23  -1.283   8.194   9.815
  152   1HG   GLN  23          HG2       GLN  23  -0.155   9.280   8.156
  153   2HG   GLN  23          HG1       GLN  23  -1.328   8.820   6.921
  154   1HE2  GLN  23          HE21      GLN  23  -3.457  10.064   6.965
  155   2HE2  GLN  23          HE22      GLN  23  -3.435  11.673   7.504
  156    H    CYS  24           HN       CYS  24  -0.702   4.687   8.678
  157    HA   CYS  24           HA       CYS  24   1.567   5.549   6.920
  158   1HB   CYS  24          HB2       CYS  24   2.818   5.174   8.759
  159   2HB   CYS  24          HB1       CYS  24   1.388   4.687   9.649
  160    H    GLY  25           HN       GLY  25   2.643   3.742   5.757
  161   1HA   GLY  25          HA2       GLY  25   0.957   1.326   5.352
  162   2HA   GLY  25          HA1       GLY  25   1.315   2.335   3.951
  163    H    TRP  26           HN       TRP  26   2.263  -0.039   3.505
  164    HA   TRP  26           HA       TRP  26   4.958  -0.430   4.669
  165   1HB   TRP  26          HB2       TRP  26   3.081  -2.141   3.986
  166   2HB   TRP  26          HB1       TRP  26   3.719  -1.920   2.361
  167    HD1  TRP  26           HD1      TRP  26   5.854  -3.191   1.733
  168    HE1  TRP  26           HE1      TRP  26   7.471  -4.750   2.999
  169    HE3  TRP  26           HE3      TRP  26   4.185  -2.504   6.504
  170    HZ2  TRP  26           HZ2      TRP  26   7.984  -5.596   5.687
  171    HZ3  TRP  26           HZ3      TRP  26   5.248  -3.698   8.400
  172    HH2  TRP  26           HH2      TRP  26   7.147  -5.241   7.994
  173    H    CYS  27           HN       CYS  27   6.859   0.153   3.582
  174    HA   CYS  27           HA       CYS  27   6.598   1.081   0.744
  175   1HB   CYS  27          HB2       CYS  27   6.579   2.778   2.789
  176   2HB   CYS  27          HB1       CYS  27   8.323   2.546   2.701
  177    H    HIS  28           HN       HIS  28   7.780  -0.636  -0.115
  178    HA   HIS  28           HA       HIS  28   9.720  -1.740  -0.841
  179   1HB   HIS  28          HB2       HIS  28  11.124   0.389   0.780
  180   2HB   HIS  28          HB1       HIS  28  11.751  -0.477  -0.622
  181    HD1  HIS  28           HD1      HIS  28  10.749   2.733  -0.008
  182    HD2  HIS  28           HD2      HIS  28   9.353  -0.065  -2.765
  183    HE1  HIS  28           HE1      HIS  28   9.598   4.047  -1.838
  184    H    ASP  29           HN       ASP  29   9.107  -1.472   2.578
  185    HA   ASP  29           HA       ASP  29  10.100  -4.041   3.192
  186   1HB   ASP  29          HB2       ASP  29  12.262  -3.308   4.360
  187   2HB   ASP  29          HB1       ASP  29  12.304  -3.312   2.602
  188    H    LYS  30           HN       LYS  30  10.293  -0.756   4.648
  189    HA   LYS  30           HA       LYS  30   9.248  -1.905   7.195
  190   1HB   LYS  30          HB2       LYS  30  11.355  -0.575   7.133
  191   2HB   LYS  30          HB1       LYS  30  10.442   0.803   6.517
  192   1HG   LYS  30          HG2       LYS  30  10.275   1.345   8.728
  193   2HG   LYS  30          HG1       LYS  30   8.956   0.176   8.706
  194   1HD   LYS  30          HD2       LYS  30  10.075  -1.156  10.129
  195   2HD   LYS  30          HD1       LYS  30  11.437  -1.236   9.010
  196   1HE   LYS  30          HE2       LYS  30  12.316   0.894   9.923
  197   2HE   LYS  30          HE1       LYS  30  10.961   0.952  11.068
  198   1HZ   LYS  30          HZ1       LYS  30  12.381  -0.238  12.343
  199   2HZ   LYS  30          HZ2       LYS  30  13.270  -0.825  11.019
  200   3HZ   LYS  30          HZ3       LYS  30  11.784  -1.539  11.433
  201    H    CYS  31           HN       CYS  31   7.476  -0.852   8.285
  202    HA   CYS  31           HA       CYS  31   5.369   0.069   6.493
  203   1HB   CYS  31          HB2       CYS  31   5.417  -1.326   8.763
  204   2HB   CYS  31          HB1       CYS  31   5.244   0.277   9.477
  205    H    VAL  32           HN       VAL  32   5.710   2.120   5.679
  206    HA   VAL  32           HA       VAL  32   5.766   4.360   7.630
  207    HB   VAL  32           HB       VAL  32   7.709   5.334   6.652
  208   1HG1  VAL  32          HG11      VAL  32   8.302   2.368   6.535
  209   2HG1  VAL  32          HG12      VAL  32   8.076   3.236   8.054
  210   3HG1  VAL  32          HG13      VAL  32   9.404   3.672   6.979
  211   1HG2  VAL  32          HG21      VAL  32   8.756   4.154   4.601
  212   2HG2  VAL  32          HG22      VAL  32   7.316   5.135   4.325
  213   3HG2  VAL  32          HG23      VAL  32   7.184   3.379   4.415
  214    H    ARG  33           HN       ARG  33   5.474   6.502   6.229
  215    HA   ARG  33           HA       ARG  33   3.472   5.868   4.088
  216   1HB   ARG  33          HB2       ARG  33   3.074   7.095   6.468
  217   2HB   ARG  33          HB1       ARG  33   3.482   8.493   5.475
  218   1HG   ARG  33          HG2       ARG  33   1.788   7.324   3.779
  219   2HG   ARG  33          HG1       ARG  33   1.144   6.649   5.276
  220   1HD   ARG  33          HD2       ARG  33  -0.062   8.631   5.231
  221   2HD   ARG  33          HD1       ARG  33   1.397   9.226   6.049
  222    HE   ARG  33           HE       ARG  33   2.171  10.132   3.936
  223   1HH1  ARG  33          HH21      ARG  33   0.806   7.967   2.244
  224   2HH1  ARG  33          HH22      ARG  33  -0.390   8.909   1.417
  225   1HH2  ARG  33          HH11      ARG  33  -0.109  11.629   3.550
  226   2HH2  ARG  33          HH12      ARG  33  -0.906  10.981   2.154
  227    H    SER  34           HN       SER  34   3.202   7.886   2.580
  228    HA   SER  34           HA       SER  34   5.438   8.268   0.967
  229   1HB   SER  34          HB2       SER  34   3.764  10.665   1.227
  230   2HB   SER  34          HB1       SER  34   3.969   9.591  -0.153
  231    HG   SER  34           HG       SER  34   1.904   9.295   0.507
  232    H    GLU  35           HN       GLU  35   4.545  10.056   3.892
  233    HA   GLU  35           HA       GLU  35   6.427  12.188   3.701
  234   1HB   GLU  35          HB2       GLU  35   4.461  11.842   5.285
  235   2HB   GLU  35          HB1       GLU  35   5.503  10.759   6.207
  236   1HG   GLU  35          HG2       GLU  35   6.988  13.136   5.697
  237   2HG   GLU  35          HG1       GLU  35   5.402  13.620   6.299
  238    H    GLU  36           HN       GLU  36   6.924   8.820   4.198
  239    HA   GLU  36           HA       GLU  36   9.699   9.349   5.213
  240   1HB   GLU  36          HB2       GLU  36   7.546   7.637   6.070
  241   2HB   GLU  36          HB1       GLU  36   8.929   6.644   5.606
  242   1HG   GLU  36          HG2       GLU  36   9.042   9.007   7.505
  243   2HG   GLU  36          HG1       GLU  36   9.043   7.313   7.994
  244    H    CYS  37           HN       CYS  37   7.748   7.927   2.710
  245    HA   CYS  37           HA       CYS  37   9.722   6.094   1.645
  246   1HB   CYS  37          HB2       CYS  37   7.320   7.520   0.453
  247   2HB   CYS  37          HB1       CYS  37   8.190   6.213  -0.350
  248    H    LEU  38           HN       LEU  38  11.341   6.499   0.126
  249    HA   LEU  38           HA       LEU  38  12.570   9.000  -0.133
  250   1HB   LEU  38          HB2       LEU  38  12.612   6.369  -1.429
  251   2HB   LEU  38          HB1       LEU  38  13.112   7.669  -2.510
  252    HG   LEU  38           HG       LEU  38  14.218   7.500   0.286
  253   1HD1  LEU  38          HD11      LEU  38  14.844   5.790  -2.073
  254   2HD1  LEU  38          HD12      LEU  38  14.985   5.428  -0.353
  255   3HD1  LEU  38          HD13      LEU  38  16.212   6.414  -1.150
  256   1HD2  LEU  38          HD21      LEU  38  14.784   9.541  -0.744
  257   2HD2  LEU  38          HD22      LEU  38  14.964   8.796  -2.332
  258   3HD2  LEU  38          HD23      LEU  38  16.185   8.528  -1.088
  259    H    SER  39           HN       SER  39  10.973   7.514  -2.956
  260    HA   SER  39           HA       SER  39  10.349  10.191  -4.026
  261   1HB   SER  39          HB2       SER  39  10.696   7.455  -4.945
  262   2HB   SER  39          HB1       SER  39   9.237   8.165  -5.627
  263    HG   SER  39           HG       SER  39  11.551   9.724  -5.558
  264    H    GLY  40           HN       GLY  40   7.941   9.523  -5.385
  265   1HA   GLY  40          HA2       GLY  40   6.031   9.773  -3.144
  266   2HA   GLY  40          HA1       GLY  40   5.668  10.054  -4.849
  267    H    THR  41           HN       THR  41   7.308   7.184  -3.605
  268    HA   THR  41           HA       THR  41   5.061   5.541  -4.685
  269    HB   THR  41           HB       THR  41   7.431   5.287  -5.504
  270    HG1  THR  41           HG1      THR  41   7.100   3.204  -5.710
  271   1HG2  THR  41          HG21      THR  41   7.914   4.159  -2.736
  272   2HG2  THR  41          HG22      THR  41   8.464   5.750  -3.264
  273   3HG2  THR  41          HG23      THR  41   9.089   4.297  -4.044
  274    H    TRP  42           HN       TRP  42   3.728   4.540  -3.252
  275    HA   TRP  42           HA       TRP  42   4.748   3.719  -0.577
  276   1HB   TRP  42          HB2       TRP  42   3.908   5.993  -0.304
  277   2HB   TRP  42          HB1       TRP  42   2.424   5.584  -1.159
  278    HD1  TRP  42           HD1      TRP  42   4.305   4.679   2.085
  279    HE1  TRP  42           HE1      TRP  42   2.564   3.996   3.860
  280    HE3  TRP  42           HE3      TRP  42   0.064   4.846  -0.747
  281    HZ2  TRP  42           HZ2      TRP  42  -0.268   3.569   4.044
  282    HZ3  TRP  42           HZ3      TRP  42  -2.138   4.298   0.245
  283    HH2  TRP  42           HH2      TRP  42  -2.310   3.660   2.635
  284    H    THR  43           HN       THR  43   3.868   1.689  -0.064
  285    HA   THR  43           HA       THR  43   1.432   0.866  -1.623
  286    HB   THR  43           HB       THR  43   3.520  -0.152  -2.443
  287    HG1  THR  43           HG1      THR  43   2.845  -2.426  -1.615
  288   1HG2  THR  43          HG21      THR  43   3.781  -1.093   0.423
  289   2HG2  THR  43          HG22      THR  43   4.870   0.000  -0.432
  290   3HG2  THR  43          HG23      THR  43   4.763  -1.694  -0.912
  291    H    GLN  44           HN       GLN  44  -0.016  -0.559  -0.536
  292    HA   GLN  44           HA       GLN  44   0.460  -0.972   2.390
  293   1HB   GLN  44          HB2       GLN  44  -1.863  -0.197   2.767
  294   2HB   GLN  44          HB1       GLN  44  -0.896   1.064   2.001
  295   1HG   GLN  44          HG2       GLN  44  -2.051   0.945   0.033
  296   2HG   GLN  44          HG1       GLN  44  -2.282  -0.800   0.155
  297   1HE2  GLN  44          HE21      GLN  44  -3.157   1.591   2.669
  298   2HE2  GLN  44          HE22      GLN  44  -4.827   1.298   2.594
  299    H    GLN  45           HN       GLN  45   0.610  -2.786   0.052
  300    HA   GLN  45           HA       GLN  45  -1.319  -4.830   1.018
  301   1HB   GLN  45          HB2       GLN  45  -1.210  -3.525  -1.683
  302   2HB   GLN  45          HB1       GLN  45  -1.687  -5.219  -1.579
  303   1HG   GLN  45          HG2       GLN  45  -3.426  -4.593   0.094
  304   2HG   GLN  45          HG1       GLN  45  -2.990  -2.897  -0.129
  305   1HE2  GLN  45          HE21      GLN  45  -5.543  -4.465  -0.861
  306   2HE2  GLN  45          HE22      GLN  45  -5.788  -4.103  -2.501
  307    H    ILE  46           HN       ILE  46   0.292  -6.273   1.660
  308    HA   ILE  46           HA       ILE  46   1.969  -7.425  -0.498
  309    HB   ILE  46           HB       ILE  46   3.357  -5.654   0.362
  310   1HG1  ILE  46          HG12      ILE  46   4.850  -7.397   1.966
  311   2HG1  ILE  46          HG11      ILE  46   3.978  -8.455   0.856
  312   1HG2  ILE  46          HG21      ILE  46   2.211  -6.549   2.957
  313   2HG2  ILE  46          HG22      ILE  46   2.604  -4.922   2.401
  314   3HG2  ILE  46          HG23      ILE  46   3.881  -5.988   2.984
  315   1HD1  ILE  46          HD11      ILE  46   4.734  -6.704  -0.955
  316   2HD1  ILE  46          HD12      ILE  46   5.871  -7.934  -0.401
  317   3HD1  ILE  46          HD13      ILE  46   5.967  -6.293   0.237
  318    H    CYS  47           HN       CYS  47   0.714  -7.595   2.810
  319    HA   CYS  47           HA       CYS  47   1.490 -10.478   2.933
  320   1HB   CYS  47          HB2       CYS  47   0.461  -8.677   5.143
  321   2HB   CYS  47          HB1       CYS  47   1.345 -10.193   5.314
  322    H    LEU  48           HN       LEU  48  -0.181 -11.684   2.073
  323    HA   LEU  48           HA       LEU  48  -2.995 -10.853   2.541
  324   1HB   LEU  48          HB2       LEU  48  -1.540 -12.848   0.802
  325   2HB   LEU  48          HB1       LEU  48  -3.295 -12.897   0.965
  326    HG   LEU  48           HG       LEU  48  -3.173 -10.349   0.409
  327   1HD1  LEU  48          HD11      LEU  48  -0.539 -11.350  -0.718
  328   2HD1  LEU  48          HD12      LEU  48  -0.719 -10.177   0.588
  329   3HD1  LEU  48          HD13      LEU  48  -1.257  -9.772  -1.042
  330   1HD2  LEU  48          HD21      LEU  48  -2.425 -12.136  -1.894
  331   2HD2  LEU  48          HD22      LEU  48  -3.639 -10.858  -1.832
  332   3HD2  LEU  48          HD23      LEU  48  -3.941 -12.402  -1.033
  Start of MODEL   18
    1   1H    GLY   1           HT1      GLY   1  -7.557   9.419  18.074
    2   2H    GLY   1           HT2      GLY   1  -8.308   8.960  19.528
    3   3H    GLY   1           HT3      GLY   1  -9.086  10.038  18.469
    4   1HA   GLY   1          HA2       GLY   1  -9.634   7.445  18.556
    5   2HA   GLY   1          HA1       GLY   1  -9.812   8.423  17.099
    6    H    SER   2           HN       SER   2  -7.827   6.034  18.714
    7    HA   SER   2           HA       SER   2  -5.990   4.759  17.917
    8   1HB   SER   2          HB2       SER   2  -6.677   3.572  16.018
    9   2HB   SER   2          HB1       SER   2  -8.204   4.238  16.588
   10    HG   SER   2           HG       SER   2  -7.414   6.112  15.139
   11    H    ALA   3           HN       ALA   3  -5.454   7.575  17.915
   12    HA   ALA   3           HA       ALA   3  -4.480   8.617  15.451
   13   1HB   ALA   3          HB1       ALA   3  -4.266   9.103  18.348
   14   2HB   ALA   3          HB2       ALA   3  -4.492  10.257  17.034
   15   3HB   ALA   3          HB3       ALA   3  -2.875   9.678  17.431
   16    H    MET   4           HN       MET   4  -1.745   9.215  16.074
   17    HA   MET   4           HA       MET   4   0.435   8.295  15.969
   18   1HB   MET   4          HB2       MET   4  -1.035   6.627  17.614
   19   2HB   MET   4          HB1       MET   4  -0.437   5.515  16.382
   20   1HG   MET   4          HG2       MET   4   1.866   6.418  16.752
   21   2HG   MET   4          HG1       MET   4   1.232   7.407  18.065
   22   1HE   MET   4          HE1       MET   4   0.407   5.685  20.805
   23   2HE   MET   4          HE2       MET   4  -0.804   4.841  19.844
   24   3HE   MET   4          HE3       MET   4  -0.446   6.532  19.506
   25    H    GLY   5           HN       GLY   5  -1.577   5.560  14.836
   26   1HA   GLY   5          HA2       GLY   5  -1.986   5.323  12.372
   27   2HA   GLY   5          HA1       GLY   5  -0.353   5.945  12.133
   28    H    CYS   6           HN       CYS   6  -0.483   3.725  10.892
   29    HA   CYS   6           HA       CYS   6  -0.087   1.370  12.604
   30   1HB   CYS   6          HB2       CYS   6   0.394   0.332  10.269
   31   2HB   CYS   6          HB1       CYS   6  -1.238   0.896  10.601
   32    H    ARG   7           HN       ARG   7   1.868   3.918  11.783
   33    HA   ARG   7           HA       ARG   7   4.339   2.732  10.996
   34   1HB   ARG   7          HB2       ARG   7   3.603   5.138  12.692
   35   2HB   ARG   7          HB1       ARG   7   5.256   4.806  12.173
   36   1HG   ARG   7          HG2       ARG   7   4.159   4.616   9.787
   37   2HG   ARG   7          HG1       ARG   7   2.875   5.576  10.523
   38   1HD   ARG   7          HD2       ARG   7   4.891   7.068  11.374
   39   2HD   ARG   7          HD1       ARG   7   5.725   6.338   9.987
   40    HE   ARG   7           HE       ARG   7   4.343   7.641   8.593
   41   1HH1  ARG   7          HH11      ARG   7   3.068   7.424  11.780
   42   2HH1  ARG   7          HH12      ARG   7   1.591   8.240  11.392
   43   1HH2  ARG   7          HH21      ARG   7   2.342   8.566   8.024
   44   2HH2  ARG   7          HH22      ARG   7   1.180   8.887   9.267
   45    H    HIS   8           HN       HIS   8   2.653   2.864  14.056
   46    HA   HIS   8           HA       HIS   8   4.922   2.043  15.700
   47   1HB   HIS   8          HB2       HIS   8   3.349   3.211  16.926
   48   2HB   HIS   8          HB1       HIS   8   2.007   2.627  15.947
   49    HD1  HIS   8           HD1      HIS   8   4.165   1.678  18.883
   50    HD2  HIS   8           HD2      HIS   8   0.825   0.218  16.859
   51    HE1  HIS   8           HE1      HIS   8   3.222  -0.187  20.311
   52    H    PHE   9           HN       PHE   9   2.460   0.457  13.799
   53    HA   PHE   9           HA       PHE   9   2.221  -2.070  14.978
   54   1HB   PHE   9          HB2       PHE   9   2.412  -1.172  12.089
   55   2HB   PHE   9          HB1       PHE   9   1.888  -2.786  12.564
   56    HD1  PHE   9           HD1      PHE   9  -0.141  -1.721  11.126
   57    HD2  PHE   9           HD2      PHE   9   0.908  -0.609  15.136
   58    HE1  PHE   9           HE1      PHE   9  -2.443  -0.887  11.493
   59    HE2  PHE   9           HE2      PHE   9  -1.394   0.224  15.506
   60    HZ   PHE   9           HZ       PHE   9  -3.070   0.087  13.685
   61    H    GLN  10           HN       GLN  10   3.379  -4.079  14.572
   62    HA   GLN  10           HA       GLN  10   6.289  -3.748  14.504
   63   1HB   GLN  10          HB2       GLN  10   4.533  -6.226  14.566
   64   2HB   GLN  10          HB1       GLN  10   6.240  -6.151  15.001
   65   1HG   GLN  10          HG2       GLN  10   4.175  -4.437  16.384
   66   2HG   GLN  10          HG1       GLN  10   4.539  -6.073  16.932
   67   1HE2  GLN  10          HE21      GLN  10   5.154  -4.215  18.792
   68   2HE2  GLN  10          HE22      GLN  10   6.820  -3.891  18.846
   69    H    SER  11           HN       SER  11   4.358  -6.169  12.727
   70    HA   SER  11           HA       SER  11   6.174  -5.794  10.391
   71   1HB   SER  11          HB2       SER  11   4.737  -7.978  11.715
   72   2HB   SER  11          HB1       SER  11   4.535  -8.000   9.966
   73    HG   SER  11           HG       SER  11   6.515  -8.996  11.132
   74    H    CYS  12           HN       CYS  12   4.663  -6.648   8.314
   75    HA   CYS  12           HA       CYS  12   2.904  -4.403   7.771
   76   1HB   CYS  12          HB2       CYS  12   2.747  -5.444   5.598
   77   2HB   CYS  12          HB1       CYS  12   4.396  -5.698   6.166
   78    H    SER  13           HN       SER  13   2.458  -7.404   9.330
   79    HA   SER  13           HA       SER  13  -0.060  -8.330   8.583
   80   1HB   SER  13          HB2       SER  13   1.588  -9.168  10.340
   81   2HB   SER  13          HB1       SER  13   0.891  -7.979  11.436
   82    HG   SER  13           HG       SER  13  -1.191  -9.042  10.659
   83    H    GLN  14           HN       GLN  14   0.441  -5.988  11.276
   84    HA   GLN  14           HA       GLN  14  -2.386  -5.276  11.302
   85   1HB   GLN  14          HB2       GLN  14  -0.619  -5.317  13.198
   86   2HB   GLN  14          HB1       GLN  14  -0.116  -3.746  12.571
   87   1HG   GLN  14          HG2       GLN  14  -1.726  -2.934  13.961
   88   2HG   GLN  14          HG1       GLN  14  -2.826  -3.422  12.672
   89   1HE2  GLN  14          HE21      GLN  14  -1.335  -4.652  15.707
   90   2HE2  GLN  14          HE22      GLN  14  -2.605  -5.715  16.078
   91    H    CYS  15           HN       CYS  15   0.554  -3.908   9.910
   92    HA   CYS  15           HA       CYS  15  -0.152  -1.275   9.341
   93   1HB   CYS  15          HB2       CYS  15   1.334  -3.425   7.847
   94   2HB   CYS  15          HB1       CYS  15   1.169  -1.813   7.152
   95    H    LEU  16           HN       LEU  16  -1.274  -4.219   7.700
   96    HA   LEU  16           HA       LEU  16  -3.017  -2.500   5.979
   97   1HB   LEU  16          HB2       LEU  16  -1.769  -5.234   5.705
   98   2HB   LEU  16          HB1       LEU  16  -3.077  -4.711   4.640
   99    HG   LEU  16           HG       LEU  16  -1.660  -2.594   4.236
  100   1HD1  LEU  16          HD11      LEU  16   0.217  -2.430   5.467
  101   2HD1  LEU  16          HD12      LEU  16   0.873  -3.767   4.522
  102   3HD1  LEU  16          HD13      LEU  16   0.047  -4.086   6.048
  103   1HD2  LEU  16          HD21      LEU  16  -0.544  -5.244   3.273
  104   2HD2  LEU  16          HD22      LEU  16  -0.401  -3.685   2.461
  105   3HD2  LEU  16          HD23      LEU  16  -1.977  -4.464   2.605
  106    H    SER  17           HN       SER  17  -3.116  -4.711   8.635
  107    HA   SER  17           HA       SER  17  -5.794  -5.765   8.076
  108   1HB   SER  17          HB2       SER  17  -3.742  -6.589   9.585
  109   2HB   SER  17          HB1       SER  17  -4.625  -5.703  10.822
  110    HG   SER  17           HG       SER  17  -6.002  -7.280  10.854
  111    H    ALA  18           HN       ALA  18  -4.594  -2.788   9.324
  112    HA   ALA  18           HA       ALA  18  -7.366  -2.077  10.187
  113   1HB   ALA  18          HB1       ALA  18  -6.520  -2.480  12.295
  114   2HB   ALA  18          HB2       ALA  18  -5.931  -0.831  12.094
  115   3HB   ALA  18          HB3       ALA  18  -4.855  -2.195  11.792
  116    HA   PRO  19           HA       PRO  19  -5.123   1.130   7.670
  117   1HB   PRO  19          HB2       PRO  19  -6.842   1.148   5.541
  118   2HB   PRO  19          HB1       PRO  19  -5.418   0.095   5.650
  119   1HG   PRO  19          HG2       PRO  19  -8.277  -0.549   6.063
  120   2HG   PRO  19          HG1       PRO  19  -6.974  -1.548   5.412
  121   1HD   PRO  19          HD2       PRO  19  -7.984  -1.747   7.980
  122   2HD   PRO  19          HD1       PRO  19  -6.393  -2.339   7.458
  123    HA   PRO  20           HA       PRO  20  -9.313   3.456   7.953
  124   1HB   PRO  20          HB2       PRO  20 -11.165   2.451   9.695
  125   2HB   PRO  20          HB1       PRO  20 -11.143   2.052   7.967
  126   1HG   PRO  20          HG2       PRO  20 -10.211   0.460  10.288
  127   2HG   PRO  20          HG1       PRO  20 -10.972  -0.071   8.783
  128   1HD   PRO  20          HD2       PRO  20  -8.286  -0.254   9.313
  129   2HD   PRO  20          HD1       PRO  20  -8.991  -0.213   7.686
  130    H    PHE  21           HN       PHE  21  -7.520   1.986  10.479
  131    HA   PHE  21           HA       PHE  21  -8.124   4.282  12.317
  132   1HB   PHE  21          HB2       PHE  21  -6.899   1.581  12.952
  133   2HB   PHE  21          HB1       PHE  21  -7.520   2.763  14.102
  134    HD1  PHE  21           HD1      PHE  21  -8.387  -0.196  13.739
  135    HD2  PHE  21           HD2      PHE  21  -9.947   3.520  12.255
  136    HE1  PHE  21           HE1      PHE  21 -10.641  -1.213  13.569
  137    HE2  PHE  21           HE2      PHE  21 -12.204   2.505  12.085
  138    HZ   PHE  21           HZ       PHE  21 -12.550   0.138  12.744
  139    H    VAL  22           HN       VAL  22  -6.023   3.693   9.995
  140    HA   VAL  22           HA       VAL  22  -3.747   4.908  11.491
  141    HB   VAL  22           HB       VAL  22  -2.236   3.232  10.645
  142   1HG1  VAL  22          HG11      VAL  22  -3.113   1.222  11.691
  143   2HG1  VAL  22          HG12      VAL  22  -4.765   1.818  11.529
  144   3HG1  VAL  22          HG13      VAL  22  -3.644   2.619  12.627
  145   1HG2  VAL  22          HG21      VAL  22  -3.664   1.291   9.346
  146   2HG2  VAL  22          HG22      VAL  22  -2.746   2.554   8.527
  147   3HG2  VAL  22          HG23      VAL  22  -4.480   2.751   8.783
  148    H    GLN  23           HN       GLN  23  -2.019   5.637   9.852
  149    HA   GLN  23           HA       GLN  23  -3.311   6.500   7.283
  150   1HB   GLN  23          HB2       GLN  23  -3.234   8.341   8.853
  151   2HB   GLN  23          HB1       GLN  23  -1.553   7.992   9.252
  152   1HG   GLN  23          HG2       GLN  23  -1.180   9.662   7.721
  153   2HG   GLN  23          HG1       GLN  23  -1.290   8.313   6.594
  154   1HE2  GLN  23          HE21      GLN  23  -3.746   7.830   5.946
  155   2HE2  GLN  23          HE22      GLN  23  -4.674   9.202   5.581
  156    H    CYS  24           HN       CYS  24  -0.504   5.193   8.889
  157    HA   CYS  24           HA       CYS  24   1.374   5.707   6.731
  158   1HB   CYS  24          HB2       CYS  24   2.868   4.842   8.242
  159   2HB   CYS  24          HB1       CYS  24   1.536   5.086   9.362
  160    H    GLY  25           HN       GLY  25   2.497   3.760   5.680
  161   1HA   GLY  25          HA2       GLY  25   0.740   1.454   5.122
  162   2HA   GLY  25          HA1       GLY  25   1.106   2.505   3.750
  163    H    TRP  26           HN       TRP  26   2.103   0.124   3.237
  164    HA   TRP  26           HA       TRP  26   4.780  -0.171   4.472
  165   1HB   TRP  26          HB2       TRP  26   3.006  -1.983   3.745
  166   2HB   TRP  26          HB1       TRP  26   3.724  -1.770   2.151
  167    HD1  TRP  26           HD1      TRP  26   5.951  -2.969   1.695
  168    HE1  TRP  26           HE1      TRP  26   7.635  -4.285   3.139
  169    HE3  TRP  26           HE3      TRP  26   4.005  -2.098   6.328
  170    HZ2  TRP  26           HZ2      TRP  26   8.106  -4.875   5.894
  171    HZ3  TRP  26           HZ3      TRP  26   5.084  -3.050   8.349
  172    HH2  TRP  26           HH2      TRP  26   7.128  -4.442   8.137
  173    H    CYS  27           HN       CYS  27   6.719   0.388   3.395
  174    HA   CYS  27           HA       CYS  27   6.422   1.417   0.591
  175   1HB   CYS  27          HB2       CYS  27   6.427   3.058   2.673
  176   2HB   CYS  27          HB1       CYS  27   8.173   2.820   2.571
  177    H    HIS  28           HN       HIS  28   7.601  -0.234  -0.383
  178    HA   HIS  28           HA       HIS  28   9.486  -1.545  -0.963
  179   1HB   HIS  28          HB2       HIS  28   9.814   1.094  -1.317
  180   2HB   HIS  28          HB1       HIS  28  11.147   0.806  -0.200
  181    HD1  HIS  28           HD1      HIS  28   9.768  -0.971  -3.296
  182    HD2  HIS  28           HD2      HIS  28  13.414   0.116  -1.591
  183    HE1  HIS  28           HE1      HIS  28  11.569  -1.755  -4.895
  184    H    ASP  29           HN       ASP  29   8.875  -1.364   2.148
  185    HA   ASP  29           HA       ASP  29  10.899  -3.124   3.014
  186   1HB   ASP  29          HB2       ASP  29  12.181  -1.298   4.411
  187   2HB   ASP  29          HB1       ASP  29  12.616  -1.588   2.727
  188    H    LYS  30           HN       LYS  30  10.511  -0.317   5.067
  189    HA   LYS  30           HA       LYS  30   8.989  -1.978   6.976
  190   1HB   LYS  30          HB2       LYS  30   9.780  -0.444   8.572
  191   2HB   LYS  30          HB1       LYS  30  11.078  -0.480   7.381
  192   1HG   LYS  30          HG2       LYS  30   9.801   1.503   6.271
  193   2HG   LYS  30          HG1       LYS  30   9.002   1.650   7.837
  194   1HD   LYS  30          HD2       LYS  30  11.935   1.340   7.978
  195   2HD   LYS  30          HD1       LYS  30  11.387   2.838   7.226
  196   1HE   LYS  30          HE2       LYS  30  11.475   3.394   9.526
  197   2HE   LYS  30          HE1       LYS  30   9.765   2.980   9.288
  198   1HZ   LYS  30          HZ1       LYS  30  11.778   1.583  10.784
  199   2HZ   LYS  30          HZ2       LYS  30  10.975   0.571   9.681
  200   3HZ   LYS  30          HZ3       LYS  30  10.091   1.434  10.848
  201    H    CYS  31           HN       CYS  31   7.358  -0.510   8.330
  202    HA   CYS  31           HA       CYS  31   5.206   0.216   6.473
  203   1HB   CYS  31          HB2       CYS  31   5.291  -1.045   8.819
  204   2HB   CYS  31          HB1       CYS  31   5.091   0.594   9.437
  205    H    VAL  32           HN       VAL  32   5.457   2.248   5.555
  206    HA   VAL  32           HA       VAL  32   5.492   4.567   7.412
  207    HB   VAL  32           HB       VAL  32   7.389   5.553   6.331
  208   1HG1  VAL  32          HG11      VAL  32   7.987   2.592   6.588
  209   2HG1  VAL  32          HG12      VAL  32   7.878   3.707   7.951
  210   3HG1  VAL  32          HG13      VAL  32   9.143   3.917   6.741
  211   1HG2  VAL  32          HG21      VAL  32   8.433   4.595   4.340
  212   2HG2  VAL  32          HG22      VAL  32   6.720   4.866   4.023
  213   3HG2  VAL  32          HG23      VAL  32   7.305   3.240   4.371
  214    H    ARG  33           HN       ARG  33   5.146   6.650   5.965
  215    HA   ARG  33           HA       ARG  33   3.213   5.912   3.793
  216   1HB   ARG  33          HB2       ARG  33   2.631   7.088   6.130
  217   2HB   ARG  33          HB1       ARG  33   3.080   8.527   5.216
  218   1HG   ARG  33          HG2       ARG  33   1.517   7.216   3.397
  219   2HG   ARG  33          HG1       ARG  33   0.733   6.768   4.912
  220   1HD   ARG  33          HD2       ARG  33   0.374   9.064   5.515
  221   2HD   ARG  33          HD1       ARG  33   1.433   9.637   4.211
  222    HE   ARG  33           HE       ARG  33  -1.306   8.599   3.873
  223   1HH1  ARG  33          HH21      ARG  33   0.419   7.209   1.870
  224   2HH1  ARG  33          HH22      ARG  33   0.388   8.308   0.533
  225   1HH2  ARG  33          HH11      ARG  33  -0.786  10.976   2.407
  226   2HH2  ARG  33          HH12      ARG  33  -0.293  10.439   0.836
  227    H    SER  34           HN       SER  34   2.908   7.812   2.225
  228    HA   SER  34           HA       SER  34   5.069   8.311   0.617
  229   1HB   SER  34          HB2       SER  34   2.545   9.704   1.292
  230   2HB   SER  34          HB1       SER  34   3.727  10.670   0.415
  231    HG   SER  34           HG       SER  34   2.143   9.212  -0.769
  232    H    GLU  35           HN       GLU  35   4.246  10.181   3.540
  233    HA   GLU  35           HA       GLU  35   6.202  12.240   3.207
  234   1HB   GLU  35          HB2       GLU  35   4.146  11.867   4.828
  235   2HB   GLU  35          HB1       GLU  35   5.377  11.185   5.893
  236   1HG   GLU  35          HG2       GLU  35   6.717  13.350   5.367
  237   2HG   GLU  35          HG1       GLU  35   5.169  13.992   4.814
  238    H    GLU  36           HN       GLU  36   6.397   9.037   4.770
  239    HA   GLU  36           HA       GLU  36   9.238   9.546   5.489
  240   1HB   GLU  36          HB2       GLU  36   7.015   7.825   6.341
  241   2HB   GLU  36          HB1       GLU  36   8.560   6.979   6.260
  242   1HG   GLU  36          HG2       GLU  36   8.668   9.665   7.491
  243   2HG   GLU  36          HG1       GLU  36   7.763   8.458   8.403
  244    H    CYS  37           HN       CYS  37   7.522   8.325   2.857
  245    HA   CYS  37           HA       CYS  37   9.155   6.040   2.156
  246   1HB   CYS  37          HB2       CYS  37   7.219   7.891   0.778
  247   2HB   CYS  37          HB1       CYS  37   8.100   6.681  -0.155
  248    H    LEU  38           HN       LEU  38  11.338   6.309   1.820
  249    HA   LEU  38           HA       LEU  38  12.739   8.659   1.211
  250   1HB   LEU  38          HB2       LEU  38  13.178   5.846   1.370
  251   2HB   LEU  38          HB1       LEU  38  13.939   6.414  -0.117
  252    HG   LEU  38           HG       LEU  38  15.490   6.567   1.809
  253   1HD1  LEU  38          HD11      LEU  38  14.511   9.010   0.375
  254   2HD1  LEU  38          HD12      LEU  38  16.054   8.172   0.224
  255   3HD1  LEU  38          HD13      LEU  38  15.742   9.198   1.624
  256   1HD2  LEU  38          HD21      LEU  38  14.970   7.673   3.769
  257   2HD2  LEU  38          HD22      LEU  38  13.347   7.155   3.312
  258   3HD2  LEU  38          HD23      LEU  38  13.878   8.801   2.964
  259    H    SER  39           HN       SER  39  11.677   6.170  -1.149
  260    HA   SER  39           HA       SER  39  12.392   7.774  -3.451
  261   1HB   SER  39          HB2       SER  39  10.311   5.642  -3.594
  262   2HB   SER  39          HB1       SER  39  11.744   5.876  -4.591
  263    HG   SER  39           HG       SER  39  12.554   4.372  -3.365
  264    H    GLY  40           HN       GLY  40   9.801   7.212  -4.853
  265   1HA   GLY  40          HA2       GLY  40   8.122   9.332  -3.571
  266   2HA   GLY  40          HA1       GLY  40   8.412   9.306  -5.311
  267    H    THR  41           HN       THR  41   7.933   6.371  -3.445
  268    HA   THR  41           HA       THR  41   5.212   6.098  -4.671
  269    HB   THR  41           HB       THR  41   6.876   4.872  -5.975
  270    HG1  THR  41           HG1      THR  41   5.809   2.794  -4.492
  271   1HG2  THR  41          HG21      THR  41   7.771   2.844  -4.274
  272   2HG2  THR  41          HG22      THR  41   7.935   4.319  -3.323
  273   3HG2  THR  41          HG23      THR  41   8.729   4.189  -4.893
  274    H    TRP  42           HN       TRP  42   3.783   4.679  -3.478
  275    HA   TRP  42           HA       TRP  42   4.654   3.818  -0.762
  276   1HB   TRP  42          HB2       TRP  42   3.866   6.123  -0.538
  277   2HB   TRP  42          HB1       TRP  42   2.402   5.741  -1.441
  278    HD1  TRP  42           HD1      TRP  42   4.175   4.574   1.798
  279    HE1  TRP  42           HE1      TRP  42   2.362   4.010   3.540
  280    HE3  TRP  42           HE3      TRP  42  -0.016   5.360  -1.010
  281    HZ2  TRP  42           HZ2      TRP  42  -0.492   3.898   3.715
  282    HZ3  TRP  42           HZ3      TRP  42  -2.267   5.017  -0.033
  283    HH2  TRP  42           HH2      TRP  42  -2.510   4.288   2.324
  284    H    THR  43           HN       THR  43   3.505   1.932  -0.114
  285    HA   THR  43           HA       THR  43   1.199   1.136  -1.867
  286    HB   THR  43           HB       THR  43   3.258   0.023  -2.580
  287    HG1  THR  43           HG1      THR  43   2.201  -1.772  -2.749
  288   1HG2  THR  43          HG21      THR  43   4.346  -1.554  -0.881
  289   2HG2  THR  43          HG22      THR  43   3.450  -0.669   0.354
  290   3HG2  THR  43          HG23      THR  43   4.638   0.169  -0.645
  291    H    GLN  44           HN       GLN  44  -0.285  -0.384  -0.850
  292    HA   GLN  44           HA       GLN  44  -0.012  -0.688   2.109
  293   1HB   GLN  44          HB2       GLN  44  -2.464   0.005   2.218
  294   2HB   GLN  44          HB1       GLN  44  -1.340   1.297   1.799
  295   1HG   GLN  44          HG2       GLN  44  -3.043   1.555   0.204
  296   2HG   GLN  44          HG1       GLN  44  -1.837   0.610  -0.667
  297   1HE2  GLN  44          HE21      GLN  44  -4.366  -0.302   1.749
  298   2HE2  GLN  44          HE22      GLN  44  -5.056  -1.514   0.780
  299    H    GLN  45           HN       GLN  45   0.313  -2.602  -0.081
  300    HA   GLN  45           HA       GLN  45  -1.686  -4.606   0.798
  301   1HB   GLN  45          HB2       GLN  45  -2.753  -3.502  -1.092
  302   2HB   GLN  45          HB1       GLN  45  -1.287  -3.669  -2.060
  303   1HG   GLN  45          HG2       GLN  45  -1.490  -6.099  -2.021
  304   2HG   GLN  45          HG1       GLN  45  -2.884  -5.993  -0.948
  305   1HE2  GLN  45          HE21      GLN  45  -4.459  -6.857  -2.411
  306   2HE2  GLN  45          HE22      GLN  45  -4.892  -6.082  -3.858
  307    H    ILE  46           HN       ILE  46  -0.176  -6.098   1.532
  308    HA   ILE  46           HA       ILE  46   1.696  -7.228  -0.481
  309    HB   ILE  46           HB       ILE  46   2.990  -5.486   0.577
  310   1HG1  ILE  46          HG12      ILE  46   4.789  -6.771   1.514
  311   2HG1  ILE  46          HG11      ILE  46   3.689  -8.044   2.041
  312   1HG2  ILE  46          HG21      ILE  46   2.960  -4.991   2.845
  313   2HG2  ILE  46          HG22      ILE  46   2.542  -6.641   3.305
  314   3HG2  ILE  46          HG23      ILE  46   1.310  -5.576   2.630
  315   1HD1  ILE  46          HD11      ILE  46   3.601  -9.000  -0.023
  316   2HD1  ILE  46          HD12      ILE  46   5.111  -8.127  -0.289
  317   3HD1  ILE  46          HD13      ILE  46   3.586  -7.441  -0.848
  318    H    CYS  47           HN       CYS  47   0.568  -7.395   2.920
  319    HA   CYS  47           HA       CYS  47   0.606 -10.385   2.647
  320   1HB   CYS  47          HB2       CYS  47   1.190 -10.325   5.111
  321   2HB   CYS  47          HB1       CYS  47   2.429  -9.647   4.055
  322    H    LEU  48           HN       LEU  48  -1.251 -11.432   3.361
  323    HA   LEU  48           HA       LEU  48  -3.435  -9.698   4.470
  324   1HB   LEU  48          HB2       LEU  48  -3.283 -11.938   2.479
  325   2HB   LEU  48          HB1       LEU  48  -4.776 -11.726   3.395
  326    HG   LEU  48           HG       LEU  48  -3.568  -9.282   2.192
  327   1HD1  LEU  48          HD11      LEU  48  -4.874 -11.516   0.623
  328   2HD1  LEU  48          HD12      LEU  48  -3.334 -10.722   0.298
  329   3HD1  LEU  48          HD13      LEU  48  -4.845  -9.849   0.048
  330   1HD2  LEU  48          HD21      LEU  48  -6.163 -10.306   3.135
  331   2HD2  LEU  48          HD22      LEU  48  -6.266  -9.385   1.635
  332   3HD2  LEU  48          HD23      LEU  48  -5.564  -8.648   3.075
  Start of MODEL   19
    1   1H    GLY   1           HT1      GLY   1  -0.709   9.951  14.998
    2   2H    GLY   1           HT2      GLY   1  -1.699   9.926  13.618
    3   3H    GLY   1           HT3      GLY   1  -1.599   8.558  14.620
    4   1HA   GLY   1          HA2       GLY   1  -2.392  10.379  16.395
    5   2HA   GLY   1          HA1       GLY   1  -3.169  10.974  14.928
    6    H    SER   2           HN       SER   2  -5.280  10.360  15.495
    7    HA   SER   2           HA       SER   2  -7.114   8.888  15.691
    8   1HB   SER   2          HB2       SER   2  -4.994   7.380  14.182
    9   2HB   SER   2          HB1       SER   2  -6.502   6.573  14.600
   10    HG   SER   2           HG       SER   2  -6.616   9.134  13.480
   11    H    ALA   3           HN       ALA   3  -5.029   6.105  15.947
   12    HA   ALA   3           HA       ALA   3  -5.471   6.055  18.916
   13   1HB   ALA   3          HB1       ALA   3  -6.731   4.211  18.574
   14   2HB   ALA   3          HB2       ALA   3  -5.373   3.425  17.768
   15   3HB   ALA   3          HB3       ALA   3  -6.510   4.398  16.835
   16    H    MET   4           HN       MET   4  -3.832   3.796  16.709
   17    HA   MET   4           HA       MET   4  -1.262   4.382  18.146
   18   1HB   MET   4          HB2       MET   4  -0.928   1.825  17.550
   19   2HB   MET   4          HB1       MET   4  -1.891   2.282  18.954
   20   1HG   MET   4          HG2       MET   4  -3.080   0.588  17.636
   21   2HG   MET   4          HG1       MET   4  -3.949   2.121  17.575
   22   1HE   MET   4          HE1       MET   4  -4.702   0.212  14.659
   23   2HE   MET   4          HE2       MET   4  -5.077   1.922  14.463
   24   3HE   MET   4          HE3       MET   4  -5.211   1.174  16.053
   25    H    GLY   5           HN       GLY   5  -2.855   4.432  15.190
   26   1HA   GLY   5          HA2       GLY   5  -2.101   4.663  12.981
   27   2HA   GLY   5          HA1       GLY   5  -0.568   5.176  13.686
   28    H    CYS   6           HN       CYS   6  -0.623   3.635  11.359
   29    HA   CYS   6           HA       CYS   6  -0.119   0.832  12.119
   30   1HB   CYS   6          HB2       CYS   6   0.364   0.675   9.605
   31   2HB   CYS   6          HB1       CYS   6  -1.272   1.143  10.054
   32    H    ARG   7           HN       ARG   7   1.681   3.736  11.812
   33    HA   ARG   7           HA       ARG   7   4.227   2.741  10.971
   34   1HB   ARG   7          HB2       ARG   7   3.274   5.006  12.739
   35   2HB   ARG   7          HB1       ARG   7   4.986   4.771  12.385
   36   1HG   ARG   7          HG2       ARG   7   3.755   4.556   9.893
   37   2HG   ARG   7          HG1       ARG   7   2.884   5.870  10.685
   38   1HD   ARG   7          HD2       ARG   7   5.773   6.048  11.133
   39   2HD   ARG   7          HD1       ARG   7   5.346   6.118   9.413
   40    HE   ARG   7           HE       ARG   7   4.847   8.221  11.253
   41   1HH1  ARG   7          HH21      ARG   7   4.460   8.199   8.204
   42   2HH1  ARG   7          HH22      ARG   7   2.776   8.589   8.090
   43   1HH2  ARG   7          HH11      ARG   7   2.122   7.898  11.427
   44   2HH2  ARG   7          HH12      ARG   7   1.451   8.418   9.916
   45    H    HIS   8           HN       HIS   8   2.462   2.497  13.974
   46    HA   HIS   8           HA       HIS   8   4.756   1.695  15.607
   47   1HB   HIS   8          HB2       HIS   8   3.060   2.703  16.841
   48   2HB   HIS   8          HB1       HIS   8   1.784   2.000  15.850
   49    HD1  HIS   8           HD1      HIS   8   4.324   0.937  18.486
   50    HD2  HIS   8           HD2      HIS   8   0.651  -0.288  16.939
   51    HE1  HIS   8           HE1      HIS   8   3.549  -0.997  19.925
   52    H    PHE   9           HN       PHE   9   2.240   0.119  13.702
   53    HA   PHE   9           HA       PHE   9   2.288  -2.513  14.624
   54   1HB   PHE   9          HB2       PHE   9   2.269  -1.422  11.790
   55   2HB   PHE   9          HB1       PHE   9   1.773  -3.055  12.231
   56    HD1  PHE   9           HD1      PHE   9  -0.279  -1.740  10.899
   57    HD2  PHE   9           HD2      PHE   9   0.889  -1.183  14.996
   58    HE1  PHE   9           HE1      PHE   9  -2.554  -0.917  11.437
   59    HE2  PHE   9           HE2      PHE   9  -1.383  -0.362  15.532
   60    HZ   PHE   9           HZ       PHE   9  -3.107  -0.224  13.753
   61    H    GLN  10           HN       GLN  10   3.736  -4.233  14.442
   62    HA   GLN  10           HA       GLN  10   6.526  -3.599  13.828
   63   1HB   GLN  10          HB2       GLN  10   4.966  -5.539  15.270
   64   2HB   GLN  10          HB1       GLN  10   6.091  -6.384  14.205
   65   1HG   GLN  10          HG2       GLN  10   7.774  -5.918  15.619
   66   2HG   GLN  10          HG1       GLN  10   7.493  -4.194  15.376
   67   1HE2  GLN  10          HE21      GLN  10   8.189  -5.631  17.932
   68   2HE2  GLN  10          HE22      GLN  10   6.938  -5.253  19.014
   69    H    SER  11           HN       SER  11   4.158  -5.961  12.512
   70    HA   SER  11           HA       SER  11   5.894  -6.273  10.108
   71   1HB   SER  11          HB2       SER  11   3.498  -7.804  11.166
   72   2HB   SER  11          HB1       SER  11   4.429  -8.256   9.741
   73    HG   SER  11           HG       SER  11   5.031  -9.269  11.808
   74    H    CYS  12           HN       CYS  12   4.129  -6.926   8.163
   75    HA   CYS  12           HA       CYS  12   2.773  -4.358   7.633
   76   1HB   CYS  12          HB2       CYS  12   3.400  -4.878   5.521
   77   2HB   CYS  12          HB1       CYS  12   4.203  -6.295   6.180
   78    H    SER  13           HN       SER  13   1.960  -7.531   8.727
   79    HA   SER  13           HA       SER  13  -0.632  -7.989   7.789
   80   1HB   SER  13          HB2       SER  13   0.700  -8.363  10.477
   81   2HB   SER  13          HB1       SER  13  -0.930  -8.953  10.168
   82    HG   SER  13           HG       SER  13   1.460  -9.964   9.390
   83    H    GLN  14           HN       GLN  14   0.153  -6.197  10.794
   84    HA   GLN  14           HA       GLN  14  -2.498  -5.172  11.190
   85   1HB   GLN  14          HB2       GLN  14  -0.429  -5.420  12.751
   86   2HB   GLN  14          HB1       GLN  14   0.054  -3.852  12.101
   87   1HG   GLN  14          HG2       GLN  14  -1.226  -3.051  13.814
   88   2HG   GLN  14          HG1       GLN  14  -2.549  -3.346  12.686
   89   1HE2  GLN  14          HE21      GLN  14  -4.230  -4.348  13.797
   90   2HE2  GLN  14          HE22      GLN  14  -4.040  -5.587  14.942
   91    H    CYS  15           HN       CYS  15   0.359  -3.886   9.516
   92    HA   CYS  15           HA       CYS  15  -0.347  -1.222   9.095
   93   1HB   CYS  15          HB2       CYS  15   1.013  -3.324   7.413
   94   2HB   CYS  15          HB1       CYS  15   0.860  -1.665   6.834
   95    H    LEU  16           HN       LEU  16  -1.494  -4.068   7.263
   96    HA   LEU  16           HA       LEU  16  -3.418  -2.271   5.840
   97   1HB   LEU  16          HB2       LEU  16  -2.122  -4.931   5.221
   98   2HB   LEU  16          HB1       LEU  16  -3.496  -4.329   4.290
   99    HG   LEU  16           HG       LEU  16  -2.037  -2.123   4.163
  100   1HD1  LEU  16          HD11      LEU  16  -0.286  -3.118   5.689
  101   2HD1  LEU  16          HD12      LEU  16   0.340  -2.535   4.148
  102   3HD1  LEU  16          HD13      LEU  16   0.094  -4.262   4.403
  103   1HD2  LEU  16          HD21      LEU  16  -2.091  -2.771   2.009
  104   2HD2  LEU  16          HD22      LEU  16  -2.371  -4.442   2.505
  105   3HD2  LEU  16          HD23      LEU  16  -0.725  -3.841   2.319
  106    H    SER  17           HN       SER  17  -3.318  -4.312   8.460
  107    HA   SER  17           HA       SER  17  -5.975  -5.564   7.982
  108   1HB   SER  17          HB2       SER  17  -3.746  -5.801   9.991
  109   2HB   SER  17          HB1       SER  17  -5.335  -6.455  10.368
  110    HG   SER  17           HG       SER  17  -4.079  -7.010   7.907
  111    H    ALA  18           HN       ALA  18  -4.692  -2.695   9.203
  112    HA   ALA  18           HA       ALA  18  -7.248  -2.060  10.595
  113   1HB   ALA  18          HB1       ALA  18  -5.149  -0.880  12.080
  114   2HB   ALA  18          HB2       ALA  18  -4.647  -2.543  11.780
  115   3HB   ALA  18          HB3       ALA  18  -6.180  -2.216  12.588
  116    HA   PRO  19           HA       PRO  19  -5.357   1.181   7.796
  117   1HB   PRO  19          HB2       PRO  19  -7.313   1.193   5.884
  118   2HB   PRO  19          HB1       PRO  19  -5.873   0.160   5.817
  119   1HG   PRO  19          HG2       PRO  19  -8.655  -0.523   6.567
  120   2HG   PRO  19          HG1       PRO  19  -7.432  -1.496   5.743
  121   1HD   PRO  19          HD2       PRO  19  -8.108  -1.754   8.409
  122   2HD   PRO  19          HD1       PRO  19  -6.577  -2.296   7.691
  123    HA   PRO  20           HA       PRO  20  -9.490   3.463   8.613
  124   1HB   PRO  20          HB2       PRO  20 -11.124   2.416  10.537
  125   2HB   PRO  20          HB1       PRO  20 -11.295   2.034   8.812
  126   1HG   PRO  20          HG2       PRO  20 -10.090   0.428  10.993
  127   2HG   PRO  20          HG1       PRO  20 -11.016  -0.097   9.580
  128   1HD   PRO  20          HD2       PRO  20  -8.285  -0.252   9.805
  129   2HD   PRO  20          HD1       PRO  20  -9.167  -0.215   8.267
  130    H    PHE  21           HN       PHE  21  -7.449   1.908  10.908
  131    HA   PHE  21           HA       PHE  21  -7.794   4.185  12.832
  132   1HB   PHE  21          HB2       PHE  21  -6.556   1.469  13.339
  133   2HB   PHE  21          HB1       PHE  21  -7.131   2.631  14.535
  134    HD1  PHE  21           HD1      PHE  21  -7.921  -0.425  13.453
  135    HD2  PHE  21           HD2      PHE  21  -9.720   3.473  13.548
  136    HE1  PHE  21           HE1      PHE  21 -10.172  -1.463  13.376
  137    HE2  PHE  21           HE2      PHE  21 -11.971   2.436  13.472
  138    HZ   PHE  21           HZ       PHE  21 -12.197  -0.032  13.385
  139    H    VAL  22           HN       VAL  22  -5.957   3.726  10.309
  140    HA   VAL  22           HA       VAL  22  -3.495   4.725  11.669
  141    HB   VAL  22           HB       VAL  22  -2.146   3.109  10.463
  142   1HG1  VAL  22          HG11      VAL  22  -3.033   0.997  11.413
  143   2HG1  VAL  22          HG12      VAL  22  -4.572   1.799  11.720
  144   3HG1  VAL  22          HG13      VAL  22  -3.119   2.323  12.571
  145   1HG2  VAL  22          HG21      VAL  22  -4.767   2.201   9.238
  146   2HG2  VAL  22          HG22      VAL  22  -3.202   1.424   8.992
  147   3HG2  VAL  22          HG23      VAL  22  -3.479   3.058   8.390
  148    H    GLN  23           HN       GLN  23  -1.848   5.006   9.523
  149    HA   GLN  23           HA       GLN  23  -3.347   6.322   7.320
  150   1HB   GLN  23          HB2       GLN  23  -3.158   8.080   8.946
  151   2HB   GLN  23          HB1       GLN  23  -1.480   7.662   9.295
  152   1HG   GLN  23          HG2       GLN  23  -1.162   9.465   7.865
  153   2HG   GLN  23          HG1       GLN  23  -1.171   8.148   6.695
  154   1HE2  GLN  23          HE21      GLN  23  -2.601   8.440   4.985
  155   2HE2  GLN  23          HE22      GLN  23  -3.986   9.421   5.027
  156    H    CYS  24           HN       CYS  24  -0.181   5.450   8.728
  157    HA   CYS  24           HA       CYS  24   1.350   5.880   6.347
  158   1HB   CYS  24          HB2       CYS  24   3.085   4.871   7.583
  159   2HB   CYS  24          HB1       CYS  24   2.029   5.512   8.837
  160    H    GLY  25           HN       GLY  25   2.477   4.016   5.215
  161   1HA   GLY  25          HA2       GLY  25   0.709   1.658   4.798
  162   2HA   GLY  25          HA1       GLY  25   1.175   2.638   3.406
  163    H    TRP  26           HN       TRP  26   2.049   0.253   2.995
  164    HA   TRP  26           HA       TRP  26   4.648  -0.243   4.318
  165   1HB   TRP  26          HB2       TRP  26   2.717  -1.869   3.538
  166   2HB   TRP  26          HB1       TRP  26   3.502  -1.748   1.970
  167    HD1  TRP  26           HD1      TRP  26   5.508  -3.291   1.582
  168    HE1  TRP  26           HE1      TRP  26   6.968  -4.802   3.075
  169    HE3  TRP  26           HE3      TRP  26   3.723  -1.976   6.173
  170    HZ2  TRP  26           HZ2      TRP  26   7.328  -5.380   5.855
  171    HZ3  TRP  26           HZ3      TRP  26   4.636  -3.020   8.229
  172    HH2  TRP  26           HH2      TRP  26   6.436  -4.720   8.075
  173    H    CYS  27           HN       CYS  27   6.606   0.348   3.372
  174    HA   CYS  27           HA       CYS  27   6.527   1.255   0.512
  175   1HB   CYS  27          HB2       CYS  27   6.616   2.880   2.706
  176   2HB   CYS  27          HB1       CYS  27   8.335   2.651   2.394
  177    H    HIS  28           HN       HIS  28   7.640  -0.530  -0.303
  178    HA   HIS  28           HA       HIS  28   9.495  -1.868  -0.839
  179   1HB   HIS  28          HB2       HIS  28  10.224   0.826  -0.445
  180   2HB   HIS  28          HB1       HIS  28  11.508  -0.141   0.282
  181    HD1  HIS  28           HD1      HIS  28  11.444   1.472  -2.590
  182    HD2  HIS  28           HD2      HIS  28  11.369  -2.647  -1.960
  183    HE1  HIS  28           HE1      HIS  28  12.285   0.406  -4.726
  184    H    ASP  29           HN       ASP  29   8.711  -1.451   2.429
  185    HA   ASP  29           HA       ASP  29   9.972  -3.811   3.290
  186   1HB   ASP  29          HB2       ASP  29  11.883  -2.583   4.628
  187   2HB   ASP  29          HB1       ASP  29  12.127  -2.989   2.932
  188    H    LYS  30           HN       LYS  30  10.127  -0.604   4.906
  189    HA   LYS  30           HA       LYS  30   8.738  -1.767   7.239
  190   1HB   LYS  30          HB2       LYS  30  10.834  -0.212   7.107
  191   2HB   LYS  30          HB1       LYS  30   9.651   1.082   6.918
  192   1HG   LYS  30          HG2       LYS  30   8.674   0.652   9.036
  193   2HG   LYS  30          HG1       LYS  30   9.451  -0.928   9.163
  194   1HD   LYS  30          HD2       LYS  30  10.907   0.264  10.486
  195   2HD   LYS  30          HD1       LYS  30  11.652   0.598   8.922
  196   1HE   LYS  30          HE2       LYS  30  11.425   2.779   9.684
  197   2HE   LYS  30          HE1       LYS  30   9.822   2.583   8.946
  198   1HZ   LYS  30          HZ1       LYS  30  10.568   2.155  11.787
  199   2HZ   LYS  30          HZ2       LYS  30   9.094   1.629  11.124
  200   3HZ   LYS  30          HZ3       LYS  30   9.466   3.286  11.169
  201    H    CYS  31           HN       CYS  31   7.121  -0.178   8.337
  202    HA   CYS  31           HA       CYS  31   4.992   0.411   6.362
  203   1HB   CYS  31          HB2       CYS  31   5.002  -0.854   8.731
  204   2HB   CYS  31          HB1       CYS  31   4.695   0.782   9.311
  205    H    VAL  32           HN       VAL  32   5.349   2.433   5.464
  206    HA   VAL  32           HA       VAL  32   5.288   4.770   7.302
  207    HB   VAL  32           HB       VAL  32   7.252   5.724   6.264
  208   1HG1  VAL  32          HG11      VAL  32   7.566   3.911   8.020
  209   2HG1  VAL  32          HG12      VAL  32   8.951   4.176   6.961
  210   3HG1  VAL  32          HG13      VAL  32   7.889   2.795   6.692
  211   1HG2  VAL  32          HG21      VAL  32   8.428   4.548   4.429
  212   2HG2  VAL  32          HG22      VAL  32   6.776   4.955   3.968
  213   3HG2  VAL  32          HG23      VAL  32   7.179   3.303   4.435
  214    H    ARG  33           HN       ARG  33   4.961   6.830   5.882
  215    HA   ARG  33           HA       ARG  33   3.210   6.102   3.561
  216   1HB   ARG  33          HB2       ARG  33   2.425   7.279   5.796
  217   2HB   ARG  33          HB1       ARG  33   3.085   8.719   5.032
  218   1HG   ARG  33          HG2       ARG  33   1.569   7.367   3.048
  219   2HG   ARG  33          HG1       ARG  33   0.580   7.414   4.509
  220   1HD   ARG  33          HD2       ARG  33   1.277   9.917   4.653
  221   2HD   ARG  33          HD1       ARG  33   1.730   9.729   2.948
  222    HE   ARG  33           HE       ARG  33  -1.020   9.308   4.037
  223   1HH1  ARG  33          HH21      ARG  33   0.497   8.056   1.445
  224   2HH1  ARG  33          HH22      ARG  33  -0.397   8.904   0.227
  225   1HH2  ARG  33          HH11      ARG  33  -1.873  11.102   2.464
  226   2HH2  ARG  33          HH12      ARG  33  -1.738  10.628   0.803
  227    H    SER  34           HN       SER  34   3.084   8.032   1.948
  228    HA   SER  34           HA       SER  34   5.438   8.392   0.546
  229   1HB   SER  34          HB2       SER  34   2.842   9.749   0.809
  230   2HB   SER  34          HB1       SER  34   4.113  10.779   0.157
  231    HG   SER  34           HG       SER  34   4.270   9.520  -1.563
  232    H    GLU  35           HN       GLU  35   4.311  10.368   3.282
  233    HA   GLU  35           HA       GLU  35   6.308  12.415   3.099
  234   1HB   GLU  35          HB2       GLU  35   4.276  11.403   4.977
  235   2HB   GLU  35          HB1       GLU  35   5.634  12.212   5.762
  236   1HG   GLU  35          HG2       GLU  35   5.240  14.239   4.645
  237   2HG   GLU  35          HG1       GLU  35   4.302  13.461   3.370
  238    H    GLU  36           HN       GLU  36   6.549   9.111   4.057
  239    HA   GLU  36           HA       GLU  36   9.176   9.686   5.390
  240   1HB   GLU  36          HB2       GLU  36   6.865   7.956   5.990
  241   2HB   GLU  36          HB1       GLU  36   8.428   7.155   6.159
  242   1HG   GLU  36          HG2       GLU  36   9.098   9.356   7.435
  243   2HG   GLU  36          HG1       GLU  36   7.356   9.537   7.639
  244    H    CYS  37           HN       CYS  37   7.642   8.211   2.696
  245    HA   CYS  37           HA       CYS  37   9.516   6.055   2.221
  246   1HB   CYS  37          HB2       CYS  37   7.574   7.638   0.516
  247   2HB   CYS  37          HB1       CYS  37   8.497   6.274  -0.115
  248    H    LEU  38           HN       LEU  38  11.474   6.110   1.105
  249    HA   LEU  38           HA       LEU  38  13.064   8.410   0.949
  250   1HB   LEU  38          HB2       LEU  38  13.317   5.733   0.458
  251   2HB   LEU  38          HB1       LEU  38  13.446   6.380  -1.177
  252    HG   LEU  38           HG       LEU  38  14.988   7.857   0.867
  253   1HD1  LEU  38          HD11      LEU  38  16.780   5.870   0.327
  254   2HD1  LEU  38          HD12      LEU  38  15.288   4.941   0.468
  255   3HD1  LEU  38          HD13      LEU  38  15.825   5.955   1.807
  256   1HD2  LEU  38          HD21      LEU  38  15.039   7.198  -1.986
  257   2HD2  LEU  38          HD22      LEU  38  16.628   7.067  -1.234
  258   3HD2  LEU  38          HD23      LEU  38  15.733   8.584  -1.145
  259    H    SER  39           HN       SER  39  11.842   6.828  -2.020
  260    HA   SER  39           HA       SER  39  11.907   9.411  -3.438
  261   1HB   SER  39          HB2       SER  39  12.374   6.790  -4.094
  262   2HB   SER  39          HB1       SER  39  10.741   7.012  -4.714
  263    HG   SER  39           HG       SER  39  13.143   8.203  -5.474
  264    H    GLY  40           HN       GLY  40   9.863   9.737  -4.960
  265   1HA   GLY  40          HA2       GLY  40   7.580  10.120  -3.199
  266   2HA   GLY  40          HA1       GLY  40   7.634  10.512  -4.918
  267    H    THR  41           HN       THR  41   7.924   7.479  -3.025
  268    HA   THR  41           HA       THR  41   5.708   6.353  -4.699
  269    HB   THR  41           HB       THR  41   8.085   5.754  -5.424
  270    HG1  THR  41           HG1      THR  41   6.509   3.594  -4.491
  271   1HG2  THR  41          HG21      THR  41   7.990   4.229  -2.808
  272   2HG2  THR  41          HG22      THR  41   9.042   5.601  -3.159
  273   3HG2  THR  41          HG23      THR  41   9.248   4.082  -4.035
  274    H    TRP  42           HN       TRP  42   4.345   4.938  -3.570
  275    HA   TRP  42           HA       TRP  42   5.048   4.117  -0.802
  276   1HB   TRP  42          HB2       TRP  42   4.090   6.345  -0.577
  277   2HB   TRP  42          HB1       TRP  42   2.742   5.911  -1.627
  278    HD1  TRP  42           HD1      TRP  42   4.207   5.070   1.829
  279    HE1  TRP  42           HE1      TRP  42   2.295   4.224   3.330
  280    HE3  TRP  42           HE3      TRP  42   0.415   4.935  -1.585
  281    HZ2  TRP  42           HZ2      TRP  42  -0.495   3.562   3.103
  282    HZ3  TRP  42           HZ3      TRP  42  -1.853   4.195  -0.923
  283    HH2  TRP  42           HH2      TRP  42  -2.314   3.508   1.413
  284    H    THR  43           HN       THR  43   4.067   2.100  -0.334
  285    HA   THR  43           HA       THR  43   1.860   1.240  -2.171
  286    HB   THR  43           HB       THR  43   4.113   0.399  -2.874
  287    HG1  THR  43           HG1      THR  43   2.041  -0.813  -3.017
  288   1HG2  THR  43          HG21      THR  43   4.004  -0.899  -0.141
  289   2HG2  THR  43          HG22      THR  43   5.213   0.243  -0.729
  290   3HG2  THR  43          HG23      THR  43   5.127  -1.380  -1.413
  291    H    GLN  44           HN       GLN  44   0.926  -0.926  -1.276
  292    HA   GLN  44           HA       GLN  44   0.987  -1.046   1.694
  293   1HB   GLN  44          HB2       GLN  44  -1.587  -1.021   1.552
  294   2HB   GLN  44          HB1       GLN  44  -0.770   0.518   1.284
  295   1HG   GLN  44          HG2       GLN  44  -1.702   0.665  -0.754
  296   2HG   GLN  44          HG1       GLN  44  -0.919  -0.844  -1.221
  297   1HE2  GLN  44          HE21      GLN  44  -3.531  -0.200   1.179
  298   2HE2  GLN  44          HE22      GLN  44  -4.637  -1.284   0.484
  299    H    GLN  45           HN       GLN  45   2.132  -3.076   0.891
  300    HA   GLN  45           HA       GLN  45   0.479  -5.127  -0.404
  301   1HB   GLN  45          HB2       GLN  45   3.158  -4.535  -0.200
  302   2HB   GLN  45          HB1       GLN  45   3.000  -5.878   0.933
  303   1HG   GLN  45          HG2       GLN  45   1.478  -6.673  -1.264
  304   2HG   GLN  45          HG1       GLN  45   2.891  -5.899  -1.982
  305   1HE2  GLN  45          HE21      GLN  45   1.828  -8.869  -0.943
  306   2HE2  GLN  45          HE22      GLN  45   3.316  -9.578  -0.542
  307    H    ILE  46           HN       ILE  46  -0.782  -6.565   0.688
  308    HA   ILE  46           HA       ILE  46  -0.825  -6.524   3.642
  309    HB   ILE  46           HB       ILE  46  -2.917  -6.412   2.423
  310   1HG1  ILE  46          HG12      ILE  46  -4.079  -8.391   3.302
  311   2HG1  ILE  46          HG11      ILE  46  -2.538  -9.224   3.503
  312   1HG2  ILE  46          HG21      ILE  46  -2.777  -7.299   0.329
  313   2HG2  ILE  46          HG22      ILE  46  -3.320  -8.780   1.117
  314   3HG2  ILE  46          HG23      ILE  46  -1.601  -8.518   0.821
  315   1HD1  ILE  46          HD11      ILE  46  -3.207  -8.297   5.650
  316   2HD1  ILE  46          HD12      ILE  46  -3.429  -6.703   4.931
  317   3HD1  ILE  46          HD13      ILE  46  -1.812  -7.396   5.056
  318    H    CYS  47           HN       CYS  47  -0.107  -8.218   4.916
  319    HA   CYS  47           HA       CYS  47   1.392 -10.396   3.566
  320   1HB   CYS  47          HB2       CYS  47   1.151  -9.413   6.427
  321   2HB   CYS  47          HB1       CYS  47   2.188 -10.753   5.935
  322    H    LEU  48           HN       LEU  48   1.084 -12.646   4.372
  323    HA   LEU  48           HA       LEU  48  -1.794 -13.185   4.957
  324   1HB   LEU  48          HB2       LEU  48   0.458 -14.507   3.518
  325   2HB   LEU  48          HB1       LEU  48  -0.727 -15.570   4.280
  326    HG   LEU  48           HG       LEU  48  -2.503 -14.065   3.140
  327   1HD1  LEU  48          HD11      LEU  48  -0.793 -12.315   2.522
  328   2HD1  LEU  48          HD12      LEU  48  -1.777 -12.871   1.169
  329   3HD1  LEU  48          HD13      LEU  48  -0.125 -13.461   1.360
  330   1HD2  LEU  48          HD21      LEU  48  -1.466 -15.316   0.835
  331   2HD2  LEU  48          HD22      LEU  48  -2.642 -15.987   1.965
  332   3HD2  LEU  48          HD23      LEU  48  -0.921 -16.303   2.192
  Start of MODEL   20
    1   1H    GLY   1           HT1      GLY   1   2.873  14.008  10.912
    2   2H    GLY   1           HT2      GLY   1   2.663  12.322  10.963
    3   3H    GLY   1           HT3      GLY   1   3.132  13.165  12.361
    4   1HA   GLY   1          HA2       GLY   1   0.855  14.437  11.744
    5   2HA   GLY   1          HA1       GLY   1   0.505  12.788  11.222
    6    H    SER   2           HN       SER   2  -0.901  12.259  12.918
    7    HA   SER   2           HA       SER   2   0.339  12.195  15.653
    8   1HB   SER   2          HB2       SER   2  -2.114  13.324  14.605
    9   2HB   SER   2          HB1       SER   2  -2.477  12.124  15.843
   10    HG   SER   2           HG       SER   2  -1.998  13.728  17.131
   11    H    ALA   3           HN       ALA   3  -2.261  10.662  13.705
   12    HA   ALA   3           HA       ALA   3  -2.749   8.352  15.140
   13   1HB   ALA   3          HB1       ALA   3  -2.276   7.994  12.229
   14   2HB   ALA   3          HB2       ALA   3  -3.351   9.319  12.676
   15   3HB   ALA   3          HB3       ALA   3  -3.726   7.671  13.178
   16    H    MET   4           HN       MET   4  -1.222   7.059  16.114
   17    HA   MET   4           HA       MET   4   1.227   6.344  14.537
   18   1HB   MET   4          HB2       MET   4   2.121   5.885  16.892
   19   2HB   MET   4          HB1       MET   4   1.781   7.574  16.517
   20   1HG   MET   4          HG2       MET   4   0.072   7.690  18.011
   21   2HG   MET   4          HG1       MET   4  -0.521   6.081  17.597
   22   1HE   MET   4          HE1       MET   4  -0.336   4.182  19.864
   23   2HE   MET   4          HE2       MET   4  -1.221   5.681  19.594
   24   3HE   MET   4          HE3       MET   4  -0.356   5.437  21.109
   25    H    GLY   5           HN       GLY   5  -0.912   4.819  13.852
   26   1HA   GLY   5          HA2       GLY   5  -0.798   2.380  15.562
   27   2HA   GLY   5          HA1       GLY   5  -2.053   2.720  14.368
   28    H    CYS   6           HN       CYS   6  -0.888   3.189  12.075
   29    HA   CYS   6           HA       CYS   6   0.096   0.704  11.118
   30   1HB   CYS   6          HB2       CYS   6  -0.962   2.438   9.749
   31   2HB   CYS   6          HB1       CYS   6   0.387   3.530  10.052
   32    H    ARG   7           HN       ARG   7   1.891   3.728  11.814
   33    HA   ARG   7           HA       ARG   7   4.495   2.580  11.314
   34   1HB   ARG   7          HB2       ARG   7   3.273   5.081  12.109
   35   2HB   ARG   7          HB1       ARG   7   4.683   4.755  13.117
   36   1HG   ARG   7          HG2       ARG   7   6.001   5.424  11.423
   37   2HG   ARG   7          HG1       ARG   7   5.421   4.052  10.477
   38   1HD   ARG   7          HD2       ARG   7   4.876   5.921   9.123
   39   2HD   ARG   7          HD1       ARG   7   3.355   5.593   9.978
   40    HE   ARG   7           HE       ARG   7   4.878   7.298  11.641
   41   1HH1  ARG   7          HH21      ARG   7   5.373   8.285   8.718
   42   2HH1  ARG   7          HH22      ARG   7   4.195   9.552   8.633
   43   1HH2  ARG   7          HH11      ARG   7   2.495   8.521  11.475
   44   2HH2  ARG   7          HH12      ARG   7   2.563   9.684  10.193
   45    H    HIS   8           HN       HIS   8   2.276   2.280  13.909
   46    HA   HIS   8           HA       HIS   8   4.363   1.659  15.929
   47   1HB   HIS   8          HB2       HIS   8   2.580   2.940  16.788
   48   2HB   HIS   8          HB1       HIS   8   1.374   2.053  15.857
   49    HD1  HIS   8           HD1      HIS   8   3.265   1.986  19.066
   50    HD2  HIS   8           HD2      HIS   8   0.697  -0.533  16.961
   51    HE1  HIS   8           HE1      HIS   8   2.559   0.168  20.683
   52    H    PHE   9           HN       PHE   9   2.280   0.059  13.666
   53    HA   PHE   9           HA       PHE   9   2.013  -2.481  14.998
   54   1HB   PHE   9          HB2       PHE   9   2.008  -1.661  12.076
   55   2HB   PHE   9          HB1       PHE   9   1.424  -3.208  12.680
   56    HD1  PHE   9           HD1      PHE   9   0.482  -1.498  15.353
   57    HD2  PHE   9           HD2      PHE   9  -0.353  -1.442  11.147
   58    HE1  PHE   9           HE1      PHE   9  -1.728  -0.466  15.801
   59    HE2  PHE   9           HE2      PHE   9  -2.558  -0.405  11.588
   60    HZ   PHE   9           HZ       PHE   9  -3.246   0.088  13.921
   61    H    GLN  10           HN       GLN  10   3.238  -4.423  14.593
   62    HA   GLN  10           HA       GLN  10   6.094  -4.038  14.384
   63   1HB   GLN  10          HB2       GLN  10   4.393  -6.548  14.247
   64   2HB   GLN  10          HB1       GLN  10   6.110  -6.480  14.646
   65   1HG   GLN  10          HG2       GLN  10   4.193  -4.815  16.240
   66   2HG   GLN  10          HG1       GLN  10   4.294  -6.545  16.571
   67   1HE2  GLN  10          HE21      GLN  10   6.325  -7.387  17.421
   68   2HE2  GLN  10          HE22      GLN  10   7.525  -6.356  18.035
   69    H    SER  11           HN       SER  11   4.261  -6.377  12.402
   70    HA   SER  11           HA       SER  11   6.066  -5.760  10.122
   71   1HB   SER  11          HB2       SER  11   5.536  -8.081  11.100
   72   2HB   SER  11          HB1       SER  11   3.957  -7.913  10.341
   73    HG   SER  11           HG       SER  11   6.151  -7.314   8.756
   74    H    CYS  12           HN       CYS  12   3.991  -6.920   8.288
   75    HA   CYS  12           HA       CYS  12   2.577  -4.377   7.726
   76   1HB   CYS  12          HB2       CYS  12   2.197  -5.492   5.534
   77   2HB   CYS  12          HB1       CYS  12   3.903  -5.487   5.982
   78    H    SER  13           HN       SER  13   1.941  -7.393   9.189
   79    HA   SER  13           HA       SER  13  -0.635  -8.131   8.419
   80   1HB   SER  13          HB2       SER  13  -0.507  -8.235  11.254
   81   2HB   SER  13          HB1       SER  13  -0.139  -9.529  10.120
   82    HG   SER  13           HG       SER  13   1.520  -8.153  11.682
   83    H    GLN  14           HN       GLN  14   0.051  -5.917  11.157
   84    HA   GLN  14           HA       GLN  14  -2.715  -5.006  11.255
   85   1HB   GLN  14          HB2       GLN  14  -0.879  -5.278  13.088
   86   2HB   GLN  14          HB1       GLN  14  -0.352  -3.686  12.557
   87   1HG   GLN  14          HG2       GLN  14  -2.097  -2.663  13.563
   88   2HG   GLN  14          HG1       GLN  14  -3.249  -3.832  12.923
   89   1HE2  GLN  14          HE21      GLN  14  -4.192  -5.146  14.491
   90   2HE2  GLN  14          HE22      GLN  14  -3.508  -5.506  16.002
   91    H    CYS  15           HN       CYS  15   0.312  -3.762   9.896
   92    HA   CYS  15           HA       CYS  15  -0.415  -1.059   9.423
   93   1HB   CYS  15          HB2       CYS  15   1.461  -3.087   8.382
   94   2HB   CYS  15          HB1       CYS  15   1.127  -1.760   7.273
   95    H    LEU  16           HN       LEU  16  -1.307  -4.012   7.712
   96    HA   LEU  16           HA       LEU  16  -2.827  -2.383   5.707
   97   1HB   LEU  16          HB2       LEU  16  -1.539  -5.110   5.755
   98   2HB   LEU  16          HB1       LEU  16  -2.796  -4.745   4.572
   99    HG   LEU  16           HG       LEU  16  -1.485  -2.750   3.850
  100   1HD1  LEU  16          HD11      LEU  16   1.069  -3.172   4.695
  101   2HD1  LEU  16          HD12      LEU  16   0.169  -3.648   6.136
  102   3HD1  LEU  16          HD13      LEU  16  -0.036  -2.032   5.461
  103   1HD2  LEU  16          HD21      LEU  16   0.597  -4.745   3.509
  104   2HD2  LEU  16          HD22      LEU  16  -0.522  -4.095   2.311
  105   3HD2  LEU  16          HD23      LEU  16  -0.999  -5.468   3.309
  106    H    SER  17           HN       SER  17  -3.174  -4.389   8.463
  107    HA   SER  17           HA       SER  17  -5.856  -5.394   7.730
  108   1HB   SER  17          HB2       SER  17  -3.979  -5.639  10.080
  109   2HB   SER  17          HB1       SER  17  -5.626  -6.253  10.166
  110    HG   SER  17           HG       SER  17  -3.477  -7.059   8.540
  111    H    ALA  18           HN       ALA  18  -4.516  -2.580   9.145
  112    HA   ALA  18           HA       ALA  18  -7.234  -1.732  10.030
  113   1HB   ALA  18          HB1       ALA  18  -6.459  -2.275  12.129
  114   2HB   ALA  18          HB2       ALA  18  -5.700  -0.687  12.003
  115   3HB   ALA  18          HB3       ALA  18  -4.768  -2.142  11.647
  116    HA   PRO  19           HA       PRO  19  -4.664   1.396   7.695
  117   1HB   PRO  19          HB2       PRO  19  -6.223   1.531   5.453
  118   2HB   PRO  19          HB1       PRO  19  -4.858   0.414   5.635
  119   1HG   PRO  19          HG2       PRO  19  -7.765  -0.108   5.839
  120   2HG   PRO  19          HG1       PRO  19  -6.466  -1.150   5.248
  121   1HD   PRO  19          HD2       PRO  19  -7.651  -1.368   7.736
  122   2HD   PRO  19          HD1       PRO  19  -6.053  -2.009   7.309
  123    HA   PRO  20           HA       PRO  20  -8.781   3.874   7.750
  124   1HB   PRO  20          HB2       PRO  20 -10.763   2.913   9.371
  125   2HB   PRO  20          HB1       PRO  20 -10.661   2.533   7.643
  126   1HG   PRO  20          HG2       PRO  20  -9.900   0.885   9.987
  127   2HG   PRO  20          HG1       PRO  20 -10.618   0.396   8.444
  128   1HD   PRO  20          HD2       PRO  20  -7.977   0.098   9.082
  129   2HD   PRO  20          HD1       PRO  20  -8.593   0.208   7.424
  130    H    PHE  21           HN       PHE  21  -7.631   2.053  10.524
  131    HA   PHE  21           HA       PHE  21  -8.100   4.320  12.377
  132   1HB   PHE  21          HB2       PHE  21  -6.703   1.680  12.878
  133   2HB   PHE  21          HB1       PHE  21  -7.518   2.710  14.056
  134    HD1  PHE  21           HD1      PHE  21  -7.901  -0.328  12.716
  135    HD2  PHE  21           HD2      PHE  21 -10.035   3.399  12.804
  136    HE1  PHE  21           HE1      PHE  21 -10.026  -1.535  12.299
  137    HE2  PHE  21           HE2      PHE  21 -12.160   2.192  12.387
  138    HZ   PHE  21           HZ       PHE  21 -12.157  -0.276  12.139
  139    H    VAL  22           HN       VAL  22  -5.843   3.624  10.083
  140    HA   VAL  22           HA       VAL  22  -3.705   5.110  11.552
  141    HB   VAL  22           HB       VAL  22  -2.077   3.494  10.737
  142   1HG1  VAL  22          HG11      VAL  22  -4.017   1.497  11.645
  143   2HG1  VAL  22          HG12      VAL  22  -4.015   2.944  12.652
  144   3HG1  VAL  22          HG13      VAL  22  -2.523   2.035  12.412
  145   1HG2  VAL  22          HG21      VAL  22  -2.945   2.890   8.603
  146   2HG2  VAL  22          HG22      VAL  22  -4.475   2.354   9.296
  147   3HG2  VAL  22          HG23      VAL  22  -3.010   1.411   9.560
  148    H    GLN  23           HN       GLN  23  -1.871   5.529   9.664
  149    HA   GLN  23           HA       GLN  23  -3.262   6.174   7.109
  150   1HB   GLN  23          HB2       GLN  23  -3.160   8.425   7.440
  151   2HB   GLN  23          HB1       GLN  23  -3.010   7.996   9.141
  152   1HG   GLN  23          HG2       GLN  23  -0.480   7.922   8.757
  153   2HG   GLN  23          HG1       GLN  23  -0.794   8.689   7.199
  154   1HE2  GLN  23          HE21      GLN  23  -2.326   9.241  10.420
  155   2HE2  GLN  23          HE22      GLN  23  -1.967  10.900  10.469
  156    H    CYS  24           HN       CYS  24  -0.614   4.776   8.538
  157    HA   CYS  24           HA       CYS  24   1.323   5.684   6.479
  158   1HB   CYS  24          HB2       CYS  24   2.752   5.339   8.198
  159   2HB   CYS  24          HB1       CYS  24   1.399   4.826   9.192
  160    H    GLY  25           HN       GLY  25   2.675   3.734   5.539
  161   1HA   GLY  25          HA2       GLY  25   1.005   1.353   4.976
  162   2HA   GLY  25          HA1       GLY  25   1.444   2.361   3.599
  163    H    TRP  26           HN       TRP  26   2.436   0.001   3.211
  164    HA   TRP  26           HA       TRP  26   5.039  -0.373   4.562
  165   1HB   TRP  26          HB2       TRP  26   3.296  -2.149   3.823
  166   2HB   TRP  26          HB1       TRP  26   3.919  -1.888   2.197
  167    HD1  TRP  26           HD1      TRP  26   6.029  -3.208   1.559
  168    HE1  TRP  26           HE1      TRP  26   7.773  -4.598   2.862
  169    HE3  TRP  26           HE3      TRP  26   4.526  -2.241   6.310
  170    HZ2  TRP  26           HZ2      TRP  26   8.433  -5.209   5.591
  171    HZ3  TRP  26           HZ3      TRP  26   5.721  -3.233   8.253
  172    HH2  TRP  26           HH2      TRP  26   7.659  -4.696   7.901
  173    H    CYS  27           HN       CYS  27   7.005   0.215   3.639
  174    HA   CYS  27           HA       CYS  27   6.964   1.118   0.781
  175   1HB   CYS  27          HB2       CYS  27   6.786   2.886   2.674
  176   2HB   CYS  27          HB1       CYS  27   8.485   2.522   2.973
  177    H    HIS  28           HN       HIS  28   8.152  -0.629   0.009
  178    HA   HIS  28           HA       HIS  28  10.080  -1.839  -0.549
  179   1HB   HIS  28          HB2       HIS  28  10.957   0.748   0.615
  180   2HB   HIS  28          HB1       HIS  28  12.198  -0.478   0.362
  181    HD1  HIS  28           HD1      HIS  28  12.026  -1.631  -2.181
  182    HD2  HIS  28           HD2      HIS  28  10.447   2.194  -1.676
  183    HE1  HIS  28           HE1      HIS  28  11.849  -0.618  -4.495
  184    H    ASP  29           HN       ASP  29   9.380  -1.404   2.857
  185    HA   ASP  29           HA       ASP  29  10.372  -3.946   3.583
  186   1HB   ASP  29          HB2       ASP  29  12.514  -3.015   4.789
  187   2HB   ASP  29          HB1       ASP  29  12.583  -3.376   3.067
  188    H    LYS  30           HN       LYS  30  10.016  -0.581   4.735
  189    HA   LYS  30           HA       LYS  30   9.258  -1.709   7.414
  190   1HB   LYS  30          HB2       LYS  30  11.294  -0.136   7.013
  191   2HB   LYS  30          HB1       LYS  30  10.081   1.135   6.853
  192   1HG   LYS  30          HG2       LYS  30   9.469  -0.483   9.157
  193   2HG   LYS  30          HG1       LYS  30  11.143   0.068   9.252
  194   1HD   LYS  30          HD2       LYS  30  10.387   2.391   8.824
  195   2HD   LYS  30          HD1       LYS  30   8.717   1.825   8.793
  196   1HE   LYS  30          HE2       LYS  30   9.372   2.760  11.028
  197   2HE   LYS  30          HE1       LYS  30   8.916   1.047  11.125
  198   1HZ   LYS  30          HZ1       LYS  30  11.115   0.374  11.211
  199   2HZ   LYS  30          HZ2       LYS  30  11.145   1.782  12.161
  200   3HZ   LYS  30          HZ3       LYS  30  11.705   1.824  10.557
  201    H    CYS  31           HN       CYS  31   7.546  -0.519   8.572
  202    HA   CYS  31           HA       CYS  31   5.281   0.147   6.830
  203   1HB   CYS  31          HB2       CYS  31   5.894  -0.428   9.668
  204   2HB   CYS  31          HB1       CYS  31   4.560   0.697   9.428
  205    H    VAL  32           HN       VAL  32   5.559   2.171   5.842
  206    HA   VAL  32           HA       VAL  32   5.625   4.541   7.622
  207    HB   VAL  32           HB       VAL  32   7.583   5.451   6.541
  208   1HG1  VAL  32          HG11      VAL  32   7.938   3.699   8.316
  209   2HG1  VAL  32          HG12      VAL  32   9.277   3.842   7.178
  210   3HG1  VAL  32          HG13      VAL  32   8.132   2.509   7.030
  211   1HG2  VAL  32          HG21      VAL  32   6.955   4.548   4.266
  212   2HG2  VAL  32          HG22      VAL  32   7.594   2.986   4.774
  213   3HG2  VAL  32          HG23      VAL  32   8.666   4.381   4.656
  214    H    ARG  33           HN       ARG  33   5.438   6.590   6.127
  215    HA   ARG  33           HA       ARG  33   3.647   5.935   3.809
  216   1HB   ARG  33          HB2       ARG  33   2.823   6.935   6.142
  217   2HB   ARG  33          HB1       ARG  33   3.366   8.447   5.416
  218   1HG   ARG  33          HG2       ARG  33   1.984   7.401   3.332
  219   2HG   ARG  33          HG1       ARG  33   1.079   6.707   4.677
  220   1HD   ARG  33          HD2       ARG  33   0.046   8.700   4.982
  221   2HD   ARG  33          HD1       ARG  33   1.621   9.451   5.308
  222    HE   ARG  33           HE       ARG  33   1.562  10.311   3.114
  223   1HH1  ARG  33          HH11      ARG  33  -1.435   9.666   3.098
  224   2HH1  ARG  33          HH12      ARG  33  -1.570   8.779   1.616
  225   1HH2  ARG  33          HH21      ARG  33   1.842   8.231   1.325
  226   2HH2  ARG  33          HH22      ARG  33   0.285   7.967   0.611
  227    H    SER  34           HN       SER  34   3.440   8.025   2.369
  228    HA   SER  34           HA       SER  34   5.801   8.625   1.052
  229   1HB   SER  34          HB2       SER  34   3.511  10.542   1.597
  230   2HB   SER  34          HB1       SER  34   4.590  10.574   0.205
  231    HG   SER  34           HG       SER  34   3.559   8.919  -0.640
  232    H    GLU  35           HN       GLU  35   4.543  10.138   3.996
  233    HA   GLU  35           HA       GLU  35   6.126  12.408   4.280
  234   1HB   GLU  35          HB2       GLU  35   4.354  11.274   5.804
  235   2HB   GLU  35          HB1       GLU  35   5.721  10.412   6.509
  236   1HG   GLU  35          HG2       GLU  35   6.441  13.167   6.311
  237   2HG   GLU  35          HG1       GLU  35   4.844  13.078   7.055
  238    H    GLU  36           HN       GLU  36   7.065   9.047   5.094
  239    HA   GLU  36           HA       GLU  36   9.835   9.907   5.670
  240   1HB   GLU  36          HB2       GLU  36   8.860   8.264   7.118
  241   2HB   GLU  36          HB1       GLU  36   8.295   7.299   5.753
  242   1HG   GLU  36          HG2       GLU  36  10.256   6.196   6.568
  243   2HG   GLU  36          HG1       GLU  36  10.748   7.037   5.097
  244    H    CYS  37           HN       CYS  37   8.080   7.932   3.267
  245    HA   CYS  37           HA       CYS  37  10.540   7.374   1.750
  246   1HB   CYS  37          HB2       CYS  37   7.649   6.668   1.714
  247   2HB   CYS  37          HB1       CYS  37   8.478   6.609   0.159
  248    H    LEU  38           HN       LEU  38  11.374   8.817   0.298
  249    HA   LEU  38           HA       LEU  38   9.650  11.048  -0.674
  250   1HB   LEU  38          HB2       LEU  38  12.384  10.665   0.151
  251   2HB   LEU  38          HB1       LEU  38  12.355  11.296  -1.496
  252    HG   LEU  38           HG       LEU  38  12.343  13.165   0.068
  253   1HD1  LEU  38          HD11      LEU  38   9.611  13.607  -0.510
  254   2HD1  LEU  38          HD12      LEU  38  10.229  12.600  -1.820
  255   3HD1  LEU  38          HD13      LEU  38  11.001  14.144  -1.454
  256   1HD2  LEU  38          HD21      LEU  38  10.330  11.447   1.396
  257   2HD2  LEU  38          HD22      LEU  38   9.954  13.171   1.384
  258   3HD2  LEU  38          HD23      LEU  38  11.462  12.602   2.099
  259    H    SER  39           HN       SER  39  10.580   8.010  -1.705
  260    HA   SER  39           HA       SER  39  11.091   8.693  -4.526
  261   1HB   SER  39          HB2       SER  39  10.754   6.111  -2.968
  262   2HB   SER  39          HB1       SER  39  11.124   6.165  -4.690
  263    HG   SER  39           HG       SER  39  12.874   7.708  -3.846
  264    H    GLY  40           HN       GLY  40   8.411   9.290  -3.131
  265   1HA   GLY  40          HA2       GLY  40   6.108   9.002  -3.563
  266   2HA   GLY  40          HA1       GLY  40   6.643   8.965  -5.245
  267    H    THR  41           HN       THR  41   7.761   6.560  -2.998
  268    HA   THR  41           HA       THR  41   6.204   4.490  -4.493
  269    HB   THR  41           HB       THR  41   8.779   4.465  -2.887
  270    HG1  THR  41           HG1      THR  41   8.090   4.426  -5.610
  271   1HG2  THR  41          HG21      THR  41   6.995   2.325  -3.388
  272   2HG2  THR  41          HG22      THR  41   8.633   2.232  -2.742
  273   3HG2  THR  41          HG23      THR  41   8.363   2.111  -4.481
  274    H    TRP  42           HN       TRP  42   4.373   3.939  -3.326
  275    HA   TRP  42           HA       TRP  42   4.733   3.298  -0.432
  276   1HB   TRP  42          HB2       TRP  42   3.879   5.648  -0.794
  277   2HB   TRP  42          HB1       TRP  42   2.460   4.950  -1.577
  278    HD1  TRP  42           HD1      TRP  42   4.349   4.609   1.784
  279    HE1  TRP  42           HE1      TRP  42   2.611   4.194   3.642
  280    HE3  TRP  42           HE3      TRP  42   0.084   4.455  -1.022
  281    HZ2  TRP  42           HZ2      TRP  42  -0.220   3.848   3.902
  282    HZ3  TRP  42           HZ3      TRP  42  -2.117   4.082   0.056
  283    HH2  TRP  42           HH2      TRP  42  -2.274   3.778   2.512
  284    H    THR  43           HN       THR  43   4.089   1.198  -0.255
  285    HA   THR  43           HA       THR  43   1.801   0.257  -1.954
  286    HB   THR  43           HB       THR  43   3.872  -0.856  -2.498
  287    HG1  THR  43           HG1      THR  43   3.393  -2.999  -1.637
  288   1HG2  THR  43          HG21      THR  43   4.153  -1.182   0.496
  289   2HG2  THR  43          HG22      THR  43   5.209  -0.269  -0.581
  290   3HG2  THR  43          HG23      THR  43   5.163  -2.031  -0.673
  291    H    GLN  44           HN       GLN  44   0.002  -0.463  -0.846
  292    HA   GLN  44           HA       GLN  44   0.294  -0.944   2.103
  293   1HB   GLN  44          HB2       GLN  44  -2.091   0.004   2.139
  294   2HB   GLN  44          HB1       GLN  44  -0.801   1.155   1.785
  295   1HG   GLN  44          HG2       GLN  44  -1.537   1.506  -0.332
  296   2HG   GLN  44          HG1       GLN  44  -1.854  -0.207  -0.601
  297   1HE2  GLN  44          HE21      GLN  44  -3.268   1.448   2.177
  298   2HE2  GLN  44          HE22      GLN  44  -4.864   1.445   1.600
  299    H    GLN  45           HN       GLN  45   0.381  -2.958  -0.039
  300    HA   GLN  45           HA       GLN  45  -1.787  -4.696   0.950
  301   1HB   GLN  45          HB2       GLN  45  -2.319  -3.113  -1.198
  302   2HB   GLN  45          HB1       GLN  45  -1.637  -4.525  -2.009
  303   1HG   GLN  45          HG2       GLN  45  -3.441  -5.378   0.075
  304   2HG   GLN  45          HG1       GLN  45  -4.259  -4.238  -0.992
  305   1HE2  GLN  45          HE21      GLN  45  -3.263  -4.771  -3.490
  306   2HE2  GLN  45          HE22      GLN  45  -3.527  -6.391  -3.922
  307    H    ILE  46           HN       ILE  46  -0.355  -6.314   1.570
  308    HA   ILE  46           HA       ILE  46   1.135  -7.698  -0.596
  309    HB   ILE  46           HB       ILE  46   2.439  -6.818   1.996
  310   1HG1  ILE  46          HG12      ILE  46   2.422  -5.534  -0.747
  311   2HG1  ILE  46          HG11      ILE  46   1.967  -4.797   0.789
  312   1HG2  ILE  46          HG21      ILE  46   4.237  -7.989   1.286
  313   2HG2  ILE  46          HG22      ILE  46   4.101  -7.346  -0.350
  314   3HG2  ILE  46          HG23      ILE  46   3.147  -8.750   0.128
  315   1HD1  ILE  46          HD11      ILE  46   4.351  -5.189   1.565
  316   2HD1  ILE  46          HD12      ILE  46   4.177  -4.006   0.270
  317   3HD1  ILE  46          HD13      ILE  46   4.738  -5.635  -0.097
  318    H    CYS  47           HN       CYS  47   0.788  -7.668   2.969
  319    HA   CYS  47           HA       CYS  47   0.377 -10.632   2.875
  320   1HB   CYS  47          HB2       CYS  47   1.195 -10.551   5.183
  321   2HB   CYS  47          HB1       CYS  47   2.315  -9.683   4.134
  322    H    LEU  48           HN       LEU  48  -1.099 -11.391   4.759
  323    HA   LEU  48           HA       LEU  48  -3.613  -9.827   4.630
  324   1HB   LEU  48          HB2       LEU  48  -2.722 -12.609   5.093
  325   2HB   LEU  48          HB1       LEU  48  -4.118 -12.117   6.052
  326    HG   LEU  48           HG       LEU  48  -4.242 -11.255   3.241
  327   1HD1  LEU  48          HD11      LEU  48  -3.449 -13.959   3.842
  328   2HD1  LEU  48          HD12      LEU  48  -3.754 -13.225   2.267
  329   3HD1  LEU  48          HD13      LEU  48  -5.080 -13.961   3.169
  330   1HD2  LEU  48          HD21      LEU  48  -6.355 -11.089   4.019
  331   2HD2  LEU  48          HD22      LEU  48  -5.967 -12.053   5.444
  332   3HD2  LEU  48          HD23      LEU  48  -6.439 -12.849   3.943