*HEADER    IMMUNE SYSTEM                           16-JUN-03   1POQ              
*TITLE     SOLUTION STRUCTURE OF A SUPERANTIGEN FROM YERSINIA                    
*TITLE    2 PSEUDOTUBERCULOSIS                                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: YPM;                                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: YPM(RESIDUES 33-151);                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: YERSINIA PSEUDOTUBERCULOSIS;                    
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: YPMA;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: NOVABLUE;                                  
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PMAL-P2X                                  
*KEYWDS    JELLY ROLL FOLD                                                       
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    R.DONADINI, C.W.LIEW, A.H.KWAN, J.P.MACKAY, B.A.FIELDS                
*REVDAT   1   27-JAN-04 1POQ    0                                                

! derived from the 2D file(s):
! /homee/wai/SGI-HOME/aria/noe240303.peaks
! /homee/wai/SGI-HOME/aria/noe240303.prot
ASSI ( resid 99 and name HA )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 3 volume 0.000e+00 ppm1 5.243 ppm2 9.978
ASSI ( resid 99 and name HB2 )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 4 volume 0.000e+00 ppm1 1.762 ppm2 9.979
ASSI ( resid 99 and name HB3 )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 5 volume 0.000e+00 ppm1 1.429 ppm2 9.978
ASSI ( resid 99 and name hd# )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 6 volume 0.000e+00 ppm1 1.258 ppm2 9.978
ASSI ( resid 99 and name hg# )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 7 volume 0.000e+00 ppm1 0.949 ppm2 9.974
ASSI ( resid 62 and name HA )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 10 volume 0.000e+00 ppm1 4.594 ppm2 9.903
ASSI ( resid 62 and name HB )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 11 volume 0.000e+00 ppm1 1.738 ppm2 9.904
ASSI ( resid 62 and name hg1# )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 12 volume 0.000e+00 ppm1 0.859 ppm2 9.903
ASSI ( resid 62 and name hg2# )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 13 volume 0.000e+00 ppm1 0.691 ppm2 9.903
ASSI ( resid 112 and name HA )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 14 volume 0.000e+00 ppm1 5.109 ppm2 9.827
ASSI ( resid 112 and name HB2 )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 15 volume 0.000e+00 ppm1 2.119 ppm2 9.826
ASSI ( resid 112 and name HB3 )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 16 volume 0.000e+00 ppm1 1.141 ppm2 9.827
ASSI ( resid 78 and name HA )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 17 volume 0.000e+00 ppm1 5.038 ppm2 9.782
ASSI ( resid 78 and name HB2 )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 18 volume 0.000e+00 ppm1 3.131 ppm2 9.782
ASSI ( resid 78 and name HB3 )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 19 volume 0.000e+00 ppm1 2.432 ppm2 9.782
ASSI ( resid 21 and name HA )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 20 volume 0.000e+00 ppm1 4.750 ppm2 9.574
ASSI ( resid 21 and name HB2 )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 21 volume 0.000e+00 ppm1 3.258 ppm2 9.577
ASSI ( resid 21 and name HB3 )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 22 volume 0.000e+00 ppm1 2.880 ppm2 9.577
ASSI ( resid 64 and name HA )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 23 volume 0.000e+00 ppm1 5.262 ppm2 9.503
ASSI ( resid 64 and name HB2 )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 24 volume 0.000e+00 ppm1 1.906 ppm2 9.504
ASSI ( resid 64 and name HG )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 25 volume 0.000e+00 ppm1 1.426 ppm2 9.504
ASSI ( resid 64 and name HB3 )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 26 volume 0.000e+00 ppm1 1.534 ppm2 9.503
ASSI ( resid 100 and name HA )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 27 volume 0.000e+00 ppm1 4.476 ppm2 9.375
ASSI ( resid 100 and name HB )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 28 volume 0.000e+00 ppm1 1.344 ppm2 9.375
ASSI ( resid 100 and name hg1# )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 29 volume 0.000e+00 ppm1 0.581 ppm2 9.375
ASSI ( resid 100 and name hg2# )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 30 volume 0.000e+00 ppm1 0.453 ppm2 9.375
ASSI ( resid 100 and name hd1# )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 31 volume 0.000e+00 ppm1 0.120 ppm2 9.375
ASSI ( resid 51 and name HA )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 37 volume 0.000e+00 ppm1 5.260 ppm2 9.269
ASSI ( resid 51 and name HB3 )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 38 volume 0.000e+00 ppm1 3.086 ppm2 9.269
ASSI ( resid 51 and name HB2 )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 42 volume 0.000e+00 ppm1 3.332 ppm2 9.269
ASSI ( resid 25 and name HA )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 43 volume 0.000e+00 ppm1 4.673 ppm2 9.251
ASSI ( resid 25 and name HB )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 44 volume 0.000e+00 ppm1 1.570 ppm2 9.251
ASSI ( resid 25 and name hg1# )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 45 volume 0.000e+00 ppm1 1.155 ppm2 9.252
ASSI ( resid 25 and name hg2# )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 46 volume 0.000e+00 ppm1 1.070 ppm2 9.251
ASSI ( resid 25 and name hd1# )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 47 volume 0.000e+00 ppm1 0.578 ppm2 9.251
ASSI ( resid 98 and name HA )
     ( resid 98 and name HN )
     6.0 0.1 0.1 peak 48 volume 0.000e+00 ppm1 5.214 ppm2 9.214
ASSI ( resid 98 and name HB2 )
     ( resid 98 and name HN )
     6.0 0.1 0.1 peak 49 volume 0.000e+00 ppm1 2.979 ppm2 9.210
ASSI ( resid 98 and name HB3 )
     ( resid 98 and name HN )
     6.0 0.1 0.1 peak 50 volume 0.000e+00 ppm1 2.845 ppm2 9.214
ASSI ( resid 103 and name HB3 )
     ( resid 103 and name HN )
     6.0 0.1 0.1 peak 54 volume 0.000e+00 ppm1 2.296 ppm2 9.067
ASSI ( resid 52 and name HA )
     ( resid 52 and name HN )
     6.0 0.1 0.1 peak 58 volume 0.000e+00 ppm1 4.772 ppm2 9.134
ASSI ( resid 52 and name HB2 )
     ( resid 52 and name HN )
     6.0 0.1 0.1 peak 59 volume 0.000e+00 ppm1 3.972 ppm2 9.134
ASSI ( resid 52 and name HB3 )
     ( resid 52 and name HN )
     6.0 0.1 0.1 peak 60 volume 0.000e+00 ppm1 3.415 ppm2 9.134
ASSI ( resid 117 and name HB2 )
     ( resid 117 and name HN )
     6.0 0.1 0.1 peak 61 volume 0.000e+00 ppm1 3.301 ppm2 9.134
ASSI ( resid 117 and name HB3 )
     ( resid 117 and name HN )
     6.0 0.1 0.1 peak 62 volume 0.000e+00 ppm1 3.029 ppm2 9.134
ASSI ( resid 59 and name HA )
     ( resid 59 and name HN )
     6.0 0.1 0.1 peak 72 volume 0.000e+00 ppm1 5.441 ppm2 7.263
ASSI ( resid 59 and name HB2 )
     ( resid 59 and name HN )
     6.0 0.1 0.1 peak 73 volume 0.000e+00 ppm1 2.696 ppm2 7.261
ASSI ( resid 59 and name HB3 )
     ( resid 59 and name HN )
     6.0 0.1 0.1 peak 74 volume 0.000e+00 ppm1 2.511 ppm2 7.262
ASSI ( resid 59 and name HG2 )
     ( resid 59 and name HN )
     6.0 0.1 0.1 peak 75 volume 0.000e+00 ppm1 1.961 ppm2 7.261
ASSI ( resid 59 and name HG3 )
     ( resid 59 and name HN )
     6.0 0.1 0.1 peak 76 volume 0.000e+00 ppm1 1.682 ppm2 7.261
ASSI ( resid 131 and name HA )
     ( resid 131 and name HN )
     6.0 0.1 0.1 peak 78 volume 0.000e+00 ppm1 3.942 ppm2 6.864
ASSI ( resid 131 and name HB )
     ( resid 131 and name HN )
     6.0 0.1 0.1 peak 79 volume 0.000e+00 ppm1 2.046 ppm2 6.864
ASSI ( resid 131 and name hg1# )
     ( resid 131 and name HN )
     6.0 0.1 0.1 peak 80 volume 0.000e+00 ppm1 0.840 ppm2 6.864
ASSI ( resid 131 and name hg2# )
     ( resid 131 and name HN )
     6.0 0.1 0.1 peak 81 volume 0.000e+00 ppm1 0.742 ppm2 6.864
ASSI ( resid 125 and name HA )
     ( resid 125 and name HN )
     6.0 0.1 0.1 peak 89 volume 0.000e+00 ppm1 4.089 ppm2 7.375
ASSI ( resid 125 and name HB )
     ( resid 125 and name HN )
     6.0 0.1 0.1 peak 90 volume 0.000e+00 ppm1 2.245 ppm2 7.377
ASSI ( resid 125 and name hg1# )
     ( resid 125 and name HN )
     6.0 0.1 0.1 peak 91 volume 0.000e+00 ppm1 1.040 ppm2 7.377
ASSI ( resid 125 and name hg2# )
     ( resid 125 and name HN )
     6.0 0.1 0.1 peak 92 volume 0.000e+00 ppm1 0.926 ppm2 7.375
ASSI ( resid 76 and name HA )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 93 volume 0.000e+00 ppm1 4.704 ppm2 7.463
ASSI ( resid 76 and name HB2 )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 95 volume 0.000e+00 ppm1 1.865 ppm2 7.463
ASSI ( resid 76 and name HB3 )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 96 volume 0.000e+00 ppm1 1.790 ppm2 7.463
ASSI ( resid 76 and name hd# )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 97 volume 0.000e+00 ppm1 1.626 ppm2 7.463
ASSI ( resid 76 and name hg# )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 98 volume 0.000e+00 ppm1 1.526 ppm2 7.464
ASSI ( resid 82 and name HA )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 103 volume 0.000e+00 ppm1 4.977 ppm2 7.616
ASSI ( resid 82 and name hb# )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 104 volume 0.000e+00 ppm1 1.908 ppm2 7.617
ASSI ( resid 82 and name HD3 )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 105 volume 0.000e+00 ppm1 1.721 ppm2 7.618
ASSI ( resid 82 and name HG2 )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 106 volume 0.000e+00 ppm1 1.511 ppm2 7.617
ASSI ( resid 82 and name HG3 )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 107 volume 0.000e+00 ppm1 1.374 ppm2 7.618
ASSI ( resid 61 and name HA )
     ( resid 61 and name HN )
     6.0 0.1 0.1 peak 108 volume 0.000e+00 ppm1 5.028 ppm2 9.063
ASSI ( resid 81 and name HA )
     ( resid 81 and name HN )
     6.0 0.1 0.1 peak 120 volume 0.000e+00 ppm1 4.094 ppm2 9.074
ASSI ( resid 81 and name HB2 )
     ( resid 81 and name HN )
     6.0 0.1 0.1 peak 121 volume 0.000e+00 ppm1 3.240 ppm2 9.074
ASSI ( resid 81 and name HB3 )
     ( resid 81 and name HN )
     6.0 0.1 0.1 peak 122 volume 0.000e+00 ppm1 3.034 ppm2 9.073
ASSI ( resid 109 and name HA )
     ( resid 109 and name HN )
     6.0 0.1 0.1 peak 123 volume 0.000e+00 ppm1 5.289 ppm2 8.623
ASSI ( resid 109 and name HB2 )
     ( resid 109 and name HN )
     6.0 0.1 0.1 peak 124 volume 0.000e+00 ppm1 2.841 ppm2 8.623
ASSI ( resid 109 and name HB3 )
     ( resid 109 and name HN )
     6.0 0.1 0.1 peak 125 volume 0.000e+00 ppm1 2.606 ppm2 8.623
ASSI ( resid 102 and name HA )
     ( resid 102 and name HN )
     6.0 0.1 0.1 peak 126 volume 0.000e+00 ppm1 4.981 ppm2 8.839
ASSI ( resid 102 and name HB2 )
     ( resid 102 and name HN )
     6.0 0.1 0.1 peak 127 volume 0.000e+00 ppm1 3.311 ppm2 8.838
ASSI ( resid 102 and name HB3 )
     ( resid 102 and name HN )
     6.0 0.1 0.1 peak 128 volume 0.000e+00 ppm1 2.424 ppm2 8.838
ASSI ( resid 60 and name HA )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 129 volume 0.000e+00 ppm1 4.673 ppm2 8.843
ASSI ( resid 60 and name HB )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 130 volume 0.000e+00 ppm1 3.616 ppm2 8.843
ASSI ( resid 60 and name hg2# )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 131 volume 0.000e+00 ppm1 1.248 ppm2 8.843
ASSI ( resid 101 and name HA )
     ( resid 101 and name HN )
     6.0 0.1 0.1 peak 132 volume 0.000e+00 ppm1 4.891 ppm2 8.897
ASSI ( resid 101 and name HB2 )
     ( resid 101 and name HN )
     6.0 0.1 0.1 peak 133 volume 0.000e+00 ppm1 1.859 ppm2 8.897
ASSI ( resid 101 and name hg# )
     ( resid 101 and name HN )
     6.0 0.1 0.1 peak 134 volume 0.000e+00 ppm1 1.300 ppm2 8.897
ASSI ( resid 31 and name HA )
     ( resid 31 and name HN )
     6.0 0.1 0.1 peak 135 volume 0.000e+00 ppm1 4.297 ppm2 8.860
ASSI ( resid 31 and name HB )
     ( resid 31 and name HN )
     6.0 0.1 0.1 peak 136 volume 0.000e+00 ppm1 1.565 ppm2 8.861
ASSI ( resid 31 and name hg1# )
     ( resid 31 and name HN )
     6.0 0.1 0.1 peak 137 volume 0.000e+00 ppm1 0.902 ppm2 8.862
ASSI ( resid 31 and name hg2# )
     ( resid 31 and name HN )
     6.0 0.1 0.1 peak 139 volume 0.000e+00 ppm1 0.702 ppm2 8.863
ASSI ( resid 65 and name HA )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 140 volume 0.000e+00 ppm1 4.985 ppm2 8.934
ASSI ( resid 65 and name HB2 )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 141 volume 0.000e+00 ppm1 1.658 ppm2 8.934
ASSI ( resid 65 and name HB3 )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 142 volume 0.000e+00 ppm1 1.463 ppm2 8.934
ASSI ( resid 73 and name HA1 )
     ( resid 73 and name HN )
     6.0 0.1 0.1 peak 145 volume 0.000e+00 ppm1 4.492 ppm2 8.682
ASSI ( resid 73 and name HA2 )
     ( resid 73 and name HN )
     6.0 0.1 0.1 peak 146 volume 0.000e+00 ppm1 3.806 ppm2 8.684
ASSI ( resid 22 and name HA )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 147 volume 0.000e+00 ppm1 4.955 ppm2 8.608
ASSI ( resid 22 and name HB )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 148 volume 0.000e+00 ppm1 3.985 ppm2 8.604
ASSI ( resid 22 and name hg2# )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 149 volume 0.000e+00 ppm1 1.080 ppm2 8.604
ASSI ( resid 113 and name HA )
     ( resid 113 and name HN )
     6.0 0.1 0.1 peak 150 volume 0.000e+00 ppm1 5.620 ppm2 8.494
ASSI ( resid 113 and name HB2 )
     ( resid 113 and name HN )
     6.0 0.1 0.1 peak 151 volume 0.000e+00 ppm1 2.680 ppm2 8.494
ASSI ( resid 113 and name HB3 )
     ( resid 113 and name HN )
     6.0 0.1 0.1 peak 152 volume 0.000e+00 ppm1 2.391 ppm2 8.493
ASSI ( resid 56 and name HA )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 153 volume 0.000e+00 ppm1 4.879 ppm2 8.281
ASSI ( resid 56 and name HB2 )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 154 volume 0.000e+00 ppm1 3.003 ppm2 8.281
ASSI ( resid 56 and name HB3 )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 155 volume 0.000e+00 ppm1 2.741 ppm2 8.281
ASSI ( resid 20 and name HA )
     ( resid 20 and name HN )
     6.0 0.1 0.1 peak 156 volume 0.000e+00 ppm1 5.609 ppm2 8.122
ASSI ( resid 20 and name HB )
     ( resid 20 and name HN )
     6.0 0.1 0.1 peak 157 volume 0.000e+00 ppm1 3.565 ppm2 8.122
ASSI ( resid 20 and name hg2# )
     ( resid 20 and name HN )
     6.0 0.1 0.1 peak 158 volume 0.000e+00 ppm1 1.084 ppm2 8.122
ASSI ( resid 79 and name HA )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 159 volume 0.000e+00 ppm1 5.022 ppm2 8.033
ASSI ( resid 79 and name HB2 )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 160 volume 0.000e+00 ppm1 3.135 ppm2 8.029
ASSI ( resid 79 and name HB3 )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 161 volume 0.000e+00 ppm1 2.442 ppm2 8.033
ASSI ( resid 18 and name HA )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 163 volume 0.000e+00 ppm1 4.616 ppm2 7.904
ASSI ( resid 18 and name HB )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 164 volume 0.000e+00 ppm1 1.733 ppm2 7.904
ASSI ( resid 18 and name hg2# )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 166 volume 0.000e+00 ppm1 0.747 ppm2 7.903
ASSI ( resid 28 and name HA )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 167 volume 0.000e+00 ppm1 4.347 ppm2 8.427
ASSI ( resid 28 and name HB2 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 168 volume 0.000e+00 ppm1 2.071 ppm2 8.427
ASSI ( resid 28 and name HD3 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 169 volume 0.000e+00 ppm1 1.382 ppm2 8.427
ASSI ( resid 28 and name hg# )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 170 volume 0.000e+00 ppm1 1.127 ppm2 8.429
ASSI ( resid 30 and name HA )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 174 volume 0.000e+00 ppm1 5.690 ppm2 8.100
ASSI ( resid 30 and name HG3 )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 175 volume 0.000e+00 ppm1 2.120 ppm2 8.103
ASSI ( resid 30 and name HB2 )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 176 volume 0.000e+00 ppm1 1.992 ppm2 8.100
ASSI ( resid 50 and name HA )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 177 volume 0.000e+00 ppm1 4.787 ppm2 8.387
ASSI ( resid 50 and name hb# )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 178 volume 0.000e+00 ppm1 1.708 ppm2 8.387
ASSI ( resid 24 and name HA )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 179 volume 0.000e+00 ppm1 5.033 ppm2 8.394
ASSI ( resid 24 and name HB )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 180 volume 0.000e+00 ppm1 3.818 ppm2 8.394
ASSI ( resid 119 and name HA )
     ( resid 119 and name HN )
     6.0 0.1 0.1 peak 181 volume 0.000e+00 ppm1 4.531 ppm2 8.392
ASSI ( resid 119 and name HB2 )
     ( resid 119 and name HN )
     6.0 0.1 0.1 peak 183 volume 0.000e+00 ppm1 2.678 ppm2 8.393
ASSI ( resid 119 and name HB3 )
     ( resid 119 and name HN )
     6.0 0.1 0.1 peak 184 volume 0.000e+00 ppm1 2.582 ppm2 8.393
ASSI ( resid 24 and name hg2# )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 185 volume 0.000e+00 ppm1 1.063 ppm2 8.394
ASSI ( resid 45 and name HB2 )
     ( resid 45 and name HN )
     6.0 0.1 0.1 peak 187 volume 0.000e+00 ppm1 2.094 ppm2 8.356
ASSI ( resid 45 and name HB3 )
     ( resid 45 and name HN )
     6.0 0.1 0.1 peak 188 volume 0.000e+00 ppm1 1.979 ppm2 8.356
ASSI ( resid 45 and name HA )
     ( resid 45 and name HN )
     6.0 0.1 0.1 peak 189 volume 0.000e+00 ppm1 4.476 ppm2 8.358
ASSI ( resid 29 and name HA1 )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 203 volume 0.000e+00 ppm1 4.336 ppm2 8.213
ASSI ( resid 29 and name HA2 )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 204 volume 0.000e+00 ppm1 3.559 ppm2 8.212
ASSI ( resid 77 and name hg# )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 205 volume 0.000e+00 ppm1 1.449 ppm2 8.246
ASSI ( resid 77 and name HB2 )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 206 volume 0.000e+00 ppm1 2.051 ppm2 8.246
ASSI ( resid 77 and name HA )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 207 volume 0.000e+00 ppm1 5.670 ppm2 8.246
ASSI ( resid 48 and name HA )
     ( resid 48 and name HN )
     6.0 0.1 0.1 peak 208 volume 0.000e+00 ppm1 4.773 ppm2 8.014
ASSI ( resid 118 and name HB2 )
     ( resid 118 and name HN )
     6.0 0.1 0.1 peak 209 volume 0.000e+00 ppm1 2.767 ppm2 8.011
ASSI ( resid 57 and name HA )
     ( resid 57 and name HN )
     6.0 0.1 0.1 peak 211 volume 0.000e+00 ppm1 4.029 ppm2 7.331
ASSI ( resid 57 and name hb# )
     ( resid 57 and name HN )
     6.0 0.1 0.1 peak 212 volume 0.000e+00 ppm1 1.519 ppm2 7.330
ASSI ( resid 84 and name HA )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 215 volume 0.000e+00 ppm1 4.497 ppm2 9.299
ASSI ( resid 84 and name HG )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 217 volume 0.000e+00 ppm1 1.625 ppm2 9.299
ASSI ( resid 84 and name hb# )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 218 volume 0.000e+00 ppm1 1.898 ppm2 9.299
ASSI ( resid 84 and name hd1# )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 219 volume 0.000e+00 ppm1 1.376 ppm2 9.299
ASSI ( resid 84 and name hd2# )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 220 volume 0.000e+00 ppm1 0.906 ppm2 9.299
ASSI ( resid 114 and name HA )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 221 volume 0.000e+00 ppm1 5.282 ppm2 9.303
ASSI ( resid 114 and name hb# )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 222 volume 0.000e+00 ppm1 1.139 ppm2 9.305
ASSI ( resid 32 and name HA )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 223 volume 0.000e+00 ppm1 5.629 ppm2 9.337
ASSI ( resid 32 and name HB2 )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 224 volume 0.000e+00 ppm1 2.851 ppm2 9.337
ASSI ( resid 32 and name HB3 )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 225 volume 0.000e+00 ppm1 2.727 ppm2 9.336
ASSI ( resid 19 and name HA )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 226 volume 0.000e+00 ppm1 4.650 ppm2 9.143
ASSI ( resid 19 and name hb# )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 227 volume 0.000e+00 ppm1 1.269 ppm2 9.143
ASSI ( resid 75 and name HA )
     ( resid 75 and name HN )
     6.0 0.1 0.1 peak 228 volume 0.000e+00 ppm1 4.558 ppm2 9.146
ASSI ( resid 75 and name HB )
     ( resid 75 and name HN )
     6.0 0.1 0.1 peak 229 volume 0.000e+00 ppm1 1.581 ppm2 9.146
ASSI ( resid 75 and name hg1# )
     ( resid 75 and name HN )
     6.0 0.1 0.1 peak 230 volume 0.000e+00 ppm1 1.389 ppm2 9.146
ASSI ( resid 75 and name hg2# )
     ( resid 75 and name HN )
     6.0 0.1 0.1 peak 231 volume 0.000e+00 ppm1 0.539 ppm2 9.146
ASSI ( resid 58 and name HA )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 232 volume 0.000e+00 ppm1 4.754 ppm2 9.083
ASSI ( resid 58 and name HB2 )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 233 volume 0.000e+00 ppm1 2.778 ppm2 9.081
ASSI ( resid 58 and name HB3 )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 234 volume 0.000e+00 ppm1 2.524 ppm2 9.080
ASSI ( resid 33 and name hg2# )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 235 volume 0.000e+00 ppm1 0.189 ppm2 9.072
ASSI ( resid 33 and name hd1# )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 236 volume 0.000e+00 ppm1 0.517 ppm2 9.073
ASSI ( resid 33 and name HG13 )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 237 volume 0.000e+00 ppm1 0.720 ppm2 9.073
ASSI ( resid 33 and name HB )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 238 volume 0.000e+00 ppm1 1.423 ppm2 9.073
ASSI ( resid 26 and name HA )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 246 volume 0.000e+00 ppm1 4.400 ppm2 8.747
ASSI ( resid 26 and name hb# )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 247 volume 0.000e+00 ppm1 2.472 ppm2 8.746
ASSI ( resid 26 and name HG3 )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 248 volume 0.000e+00 ppm1 2.010 ppm2 8.746
ASSI ( resid 63 and name HB2 )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 249 volume 0.000e+00 ppm1 1.638 ppm2 8.746
ASSI ( resid 97 and name hd1# )
     ( resid 97 and name HN )
     6.0 0.1 0.1 peak 250 volume 0.000e+00 ppm1 1.014 ppm2 8.739
ASSI ( resid 97 and name hg1# )
     ( resid 97 and name HN )
     6.0 0.1 0.1 peak 252 volume 0.000e+00 ppm1 0.417 ppm2 8.740
ASSI ( resid 54 and name HA )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 257 volume 0.000e+00 ppm1 4.777 ppm2 8.600
ASSI ( resid 54 and name HB2 )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 258 volume 0.000e+00 ppm1 3.006 ppm2 8.600
ASSI ( resid 54 and name HB3 )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 259 volume 0.000e+00 ppm1 2.891 ppm2 8.600
ASSI ( resid 106 and name HA )
     ( resid 106 and name HN )
     6.0 0.1 0.1 peak 260 volume 0.000e+00 ppm1 4.511 ppm2 8.458
ASSI ( resid 106 and name HB2 )
     ( resid 106 and name HN )
     6.0 0.1 0.1 peak 261 volume 0.000e+00 ppm1 2.248 ppm2 8.459
ASSI ( resid 106 and name HG3 )
     ( resid 106 and name HN )
     6.0 0.1 0.1 peak 262 volume 0.000e+00 ppm1 1.837 ppm2 8.459
ASSI ( resid 105 and name HA )
     ( resid 105 and name HN )
     6.0 0.1 0.1 peak 263 volume 0.000e+00 ppm1 4.192 ppm2 8.562
ASSI ( resid 105 and name HB2 )
     ( resid 105 and name HN )
     6.0 0.1 0.1 peak 264 volume 0.000e+00 ppm1 3.997 ppm2 8.561
ASSI ( resid 105 and name HB3 )
     ( resid 105 and name HN )
     6.0 0.1 0.1 peak 265 volume 0.000e+00 ppm1 3.899 ppm2 8.559
ASSI ( resid 49 and name HA )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 266 volume 0.000e+00 ppm1 3.767 ppm2 8.355
ASSI ( resid 49 and name hg2# )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 267 volume 0.000e+00 ppm1 0.470 ppm2 8.356
ASSI ( resid 49 and name hg1# )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 268 volume 0.000e+00 ppm1 0.753 ppm2 8.357
ASSI ( resid 49 and name HB )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 270 volume 0.000e+00 ppm1 1.580 ppm2 8.356
ASSI ( resid 85 and name HA )
     ( resid 85 and name HN )
     6.0 0.1 0.1 peak 277 volume 0.000e+00 ppm1 5.438 ppm2 8.192
ASSI ( resid 85 and name hb# )
     ( resid 85 and name HN )
     6.0 0.1 0.1 peak 279 volume 0.000e+00 ppm1 1.889 ppm2 8.192
ASSI ( resid 85 and name hd# )
     ( resid 85 and name HN )
     6.0 0.1 0.1 peak 280 volume 0.000e+00 ppm1 1.685 ppm2 8.191
ASSI ( resid 85 and name hg# )
     ( resid 85 and name HN )
     6.0 0.1 0.1 peak 281 volume 0.000e+00 ppm1 1.458 ppm2 8.192
ASSI ( resid 108 and name HB3 )
     ( resid 108 and name HN )
     6.0 0.1 0.1 peak 284 volume 0.000e+00 ppm1 3.561 ppm2 8.648
ASSI ( resid 108 and name HA )
     ( resid 108 and name HN )
     6.0 0.1 0.1 peak 286 volume 0.000e+00 ppm1 4.906 ppm2 8.649
ASSI ( resid 111 and name HA )
     ( resid 111 and name HN )
     6.0 0.1 0.1 peak 287 volume 0.000e+00 ppm1 5.138 ppm2 8.649
ASSI ( resid 107 and name HA )
     ( resid 107 and name HN )
     6.0 0.1 0.1 peak 289 volume 0.000e+00 ppm1 4.373 ppm2 8.651
ASSI ( resid 55 and name HA )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 290 volume 0.000e+00 ppm1 4.019 ppm2 8.664
ASSI ( resid 55 and name HB )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 291 volume 0.000e+00 ppm1 2.195 ppm2 8.664
ASSI ( resid 107 and name hg2# )
     ( resid 107 and name HN )
     6.0 0.1 0.1 peak 292 volume 0.000e+00 ppm1 1.108 ppm2 8.650
ASSI ( resid 55 and name hg# )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 293 volume 0.000e+00 ppm1 1.025 ppm2 8.664
ASSI ( resid 86 and name HA )
     ( resid 86 and name HN )
     6.0 0.1 0.1 peak 295 volume 0.000e+00 ppm1 4.642 ppm2 8.868
ASSI ( resid 86 and name HB2 )
     ( resid 86 and name HN )
     6.0 0.1 0.1 peak 296 volume 0.000e+00 ppm1 2.642 ppm2 8.868
ASSI ( resid 86 and name HB3 )
     ( resid 86 and name HN )
     6.0 0.1 0.1 peak 297 volume 0.000e+00 ppm1 2.327 ppm2 8.868
ASSI ( resid 27 and name HA1 )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 298 volume 0.000e+00 ppm1 3.635 ppm2 8.537
ASSI ( resid 27 and name HA2 )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 299 volume 0.000e+00 ppm1 3.411 ppm2 8.537
ASSI ( resid 17 and name HB3 )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 301 volume 0.000e+00 ppm1 2.857 ppm2 8.461
ASSI ( resid 17 and name HB2 )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 302 volume 0.000e+00 ppm1 2.932 ppm2 8.461
ASSI ( resid 27 and name HA1 )
     ( resid 27 and name HA2 )
     6.0 0.1 0.1 peak 303 volume 0.000e+00 ppm1 3.630 ppm2 3.409
ASSI ( resid 24 and name HA )
     ( resid 24 and name HB )
     6.0 0.1 0.1 peak 304 volume 0.000e+00 ppm1 5.035 ppm2 3.817
ASSI ( resid 24 and name HA )
     ( resid 24 and name hg2# )
     6.0 0.1 0.1 peak 305 volume 0.000e+00 ppm1 5.033 ppm2 1.063
ASSI ( resid 24 and name HB )
     ( resid 24 and name hg2# )
     6.0 0.1 0.1 peak 306 volume 0.000e+00 ppm1 3.818 ppm2 1.062
ASSI ( resid 78 and name HA )
     ( resid 78 and name HB2 )
     6.0 0.1 0.1 peak 307 volume 0.000e+00 ppm1 5.038 ppm2 3.137
ASSI ( resid 78 and name HA )
     ( resid 78 and name HB3 )
     6.0 0.1 0.1 peak 308 volume 0.000e+00 ppm1 5.038 ppm2 2.429
ASSI ( resid 78 and name HB2 )
     ( resid 78 and name HB3 )
     6.0 0.1 0.1 peak 309 volume 0.000e+00 ppm1 3.134 ppm2 2.429
ASSI ( resid 79 and name HA )
     ( resid 79 and name HB2 )
     6.0 0.1 0.1 peak 310 volume 0.000e+00 ppm1 5.022 ppm2 3.130
ASSI ( resid 79 and name HA )
     ( resid 79 and name HB3 )
     6.0 0.1 0.1 peak 311 volume 0.000e+00 ppm1 5.022 ppm2 2.442
ASSI ( resid 79 and name HB2 )
     ( resid 79 and name HB3 )
     6.0 0.1 0.1 peak 312 volume 0.000e+00 ppm1 3.132 ppm2 2.442
ASSI ( resid 33 and name HA )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 313 volume 0.000e+00 ppm1 4.707 ppm2 9.073
ASSI ( resid 33 and name HA )
     ( resid 33 and name HB )
     6.0 0.1 0.1 peak 314 volume 0.000e+00 ppm1 4.707 ppm2 1.414
ASSI ( resid 33 and name HA )
     ( resid 33 and name hd1# )
     6.0 0.1 0.1 peak 315 volume 0.000e+00 ppm1 4.707 ppm2 0.506
ASSI ( resid 33 and name HA )
     ( resid 33 and name hg2# )
     6.0 0.1 0.1 peak 316 volume 0.000e+00 ppm1 4.707 ppm2 0.181
ASSI ( resid 33 and name HB )
     ( resid 33 and name HG13 )
     6.0 0.1 0.1 peak 317 volume 0.000e+00 ppm1 1.417 ppm2 0.709
ASSI ( resid 33 and name HB )
     ( resid 33 and name hd1# )
     6.0 0.1 0.1 peak 318 volume 0.000e+00 ppm1 1.417 ppm2 0.506
ASSI ( resid 33 and name HB )
     ( resid 33 and name hg2# )
     6.0 0.1 0.1 peak 319 volume 0.000e+00 ppm1 1.417 ppm2 0.181
ASSI ( resid 33 and name HG13 )
     ( resid 33 and name hd1# )
     6.0 0.1 0.1 peak 320 volume 0.000e+00 ppm1 0.708 ppm2 0.506
ASSI ( resid 33 and name HG13 )
     ( resid 33 and name hg2# )
     6.0 0.1 0.1 peak 321 volume 0.000e+00 ppm1 0.710 ppm2 0.182
ASSI ( resid 33 and name hd1# )
     ( resid 33 and name hg2# )
     6.0 0.1 0.1 peak 322 volume 0.000e+00 ppm1 0.521 ppm2 0.184
ASSI ( resid 99 and name HA )
     ( resid 99 and name HB2 )
     6.0 0.1 0.1 peak 323 volume 0.000e+00 ppm1 5.243 ppm2 1.765
ASSI ( resid 99 and name HA )
     ( resid 99 and name HB3 )
     6.0 0.1 0.1 peak 324 volume 0.000e+00 ppm1 5.243 ppm2 1.428
ASSI ( resid 99 and name HA )
     ( resid 99 and name hd# )
     6.0 0.1 0.1 peak 325 volume 0.000e+00 ppm1 5.243 ppm2 1.257
ASSI ( resid 99 and name HA )
     ( resid 99 and name hg# )
     6.0 0.1 0.1 peak 326 volume 0.000e+00 ppm1 5.243 ppm2 0.952
ASSI ( resid 62 and name HA )
     ( resid 62 and name HB )
     6.0 0.1 0.1 peak 333 volume 0.000e+00 ppm1 4.589 ppm2 1.730
ASSI ( resid 62 and name HA )
     ( resid 62 and name hg1# )
     6.0 0.1 0.1 peak 334 volume 0.000e+00 ppm1 4.589 ppm2 0.857
ASSI ( resid 62 and name HA )
     ( resid 62 and name hg2# )
     6.0 0.1 0.1 peak 335 volume 0.000e+00 ppm1 4.589 ppm2 0.692
ASSI ( resid 62 and name HB )
     ( resid 62 and name hg1# )
     6.0 0.1 0.1 peak 336 volume 0.000e+00 ppm1 1.738 ppm2 0.857
ASSI ( resid 62 and name HB )
     ( resid 62 and name hg2# )
     6.0 0.1 0.1 peak 337 volume 0.000e+00 ppm1 1.740 ppm2 0.693
ASSI ( resid 62 and name hg1# )
     ( resid 62 and name hg2# )
     6.0 0.1 0.1 peak 338 volume 0.000e+00 ppm1 0.870 ppm2 0.713
ASSI ( resid 112 and name HA )
     ( resid 112 and name HB2 )
     6.0 0.1 0.1 peak 339 volume 0.000e+00 ppm1 5.114 ppm2 2.110
ASSI ( resid 112 and name HA )
     ( resid 112 and name HB3 )
     6.0 0.1 0.1 peak 340 volume 0.000e+00 ppm1 5.111 ppm2 1.142
ASSI ( resid 112 and name HB2 )
     ( resid 112 and name HB3 )
     6.0 0.1 0.1 peak 341 volume 0.000e+00 ppm1 2.112 ppm2 1.141
ASSI ( resid 21 and name HA )
     ( resid 21 and name HB2 )
     6.0 0.1 0.1 peak 342 volume 0.000e+00 ppm1 4.752 ppm2 3.260
ASSI ( resid 21 and name HA )
     ( resid 21 and name HB3 )
     6.0 0.1 0.1 peak 344 volume 0.000e+00 ppm1 4.752 ppm2 2.883
ASSI ( resid 21 and name HB2 )
     ( resid 21 and name HB3 )
     6.0 0.1 0.1 peak 345 volume 0.000e+00 ppm1 3.260 ppm2 2.883
ASSI ( resid 64 and name HA )
     ( resid 64 and name HB2 )
     6.0 0.1 0.1 peak 346 volume 0.000e+00 ppm1 5.262 ppm2 1.906
ASSI ( resid 64 and name HA )
     ( resid 64 and name HB3 )
     6.0 0.1 0.1 peak 347 volume 0.000e+00 ppm1 5.261 ppm2 1.534
ASSI ( resid 64 and name HA )
     ( resid 64 and name HG )
     6.0 0.1 0.1 peak 348 volume 0.000e+00 ppm1 5.261 ppm2 1.425
ASSI ( resid 100 and name HA )
     ( resid 100 and name HB )
     6.0 0.1 0.1 peak 352 volume 0.000e+00 ppm1 4.479 ppm2 1.345
ASSI ( resid 100 and name HA )
     ( resid 100 and name hg1# )
     6.0 0.1 0.1 peak 354 volume 0.000e+00 ppm1 4.479 ppm2 0.584
ASSI ( resid 100 and name HA )
     ( resid 100 and name hg2# )
     6.0 0.1 0.1 peak 355 volume 0.000e+00 ppm1 4.479 ppm2 0.454
ASSI ( resid 100 and name HA )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 356 volume 0.000e+00 ppm1 4.479 ppm2 0.122
ASSI ( resid 100 and name HB )
     ( resid 100 and name hg1# )
     6.0 0.1 0.1 peak 357 volume 0.000e+00 ppm1 1.342 ppm2 0.580
ASSI ( resid 100 and name HB )
     ( resid 100 and name hg2# )
     6.0 0.1 0.1 peak 359 volume 0.000e+00 ppm1 1.342 ppm2 0.453
ASSI ( resid 100 and name HB )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 360 volume 0.000e+00 ppm1 1.344 ppm2 0.123
ASSI ( resid 100 and name hg1# )
     ( resid 100 and name hg2# )
     6.0 0.1 0.1 peak 361 volume 0.000e+00 ppm1 0.578 ppm2 0.455
ASSI ( resid 100 and name hg1# )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 362 volume 0.000e+00 ppm1 0.578 ppm2 0.121
ASSI ( resid 100 and name hg2# )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 363 volume 0.000e+00 ppm1 0.454 ppm2 0.121
ASSI ( resid 32 and name HA )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 364 volume 0.000e+00 ppm1 5.639 ppm2 2.856
ASSI ( resid 114 and name HA )
     ( resid 114 and name hb# )
     6.0 0.1 0.1 peak 367 volume 0.000e+00 ppm1 5.283 ppm2 1.138
ASSI ( resid 84 and name HA )
     ( resid 84 and name hb# )
     6.0 0.1 0.1 peak 368 volume 0.000e+00 ppm1 4.497 ppm2 1.899
ASSI ( resid 84 and name HA )
     ( resid 84 and name HG )
     6.0 0.1 0.1 peak 369 volume 0.000e+00 ppm1 4.497 ppm2 1.626
ASSI ( resid 84 and name HA )
     ( resid 84 and name hd1# )
     6.0 0.1 0.1 peak 370 volume 0.000e+00 ppm1 4.497 ppm2 1.377
ASSI ( resid 84 and name HA )
     ( resid 84 and name hd2# )
     6.0 0.1 0.1 peak 371 volume 0.000e+00 ppm1 4.493 ppm2 0.907
ASSI ( resid 84 and name hb# )
     ( resid 84 and name HG )
     6.0 0.1 0.1 peak 372 volume 0.000e+00 ppm1 1.900 ppm2 1.625
ASSI ( resid 84 and name hb# )
     ( resid 84 and name hd1# )
     6.0 0.1 0.1 peak 373 volume 0.000e+00 ppm1 1.900 ppm2 1.376
ASSI ( resid 84 and name hb# )
     ( resid 84 and name hd2# )
     6.0 0.1 0.1 peak 374 volume 0.000e+00 ppm1 1.897 ppm2 0.907
ASSI ( resid 84 and name HG )
     ( resid 84 and name hd2# )
     6.0 0.1 0.1 peak 376 volume 0.000e+00 ppm1 1.628 ppm2 0.907
ASSI ( resid 84 and name hd1# )
     ( resid 84 and name hd2# )
     6.0 0.1 0.1 peak 377 volume 0.000e+00 ppm1 1.379 ppm2 0.907
ASSI ( resid 51 and name HA )
     ( resid 51 and name HB2 )
     6.0 0.1 0.1 peak 378 volume 0.000e+00 ppm1 5.262 ppm2 3.333
ASSI ( resid 51 and name HA )
     ( resid 51 and name HB3 )
     6.0 0.1 0.1 peak 379 volume 0.000e+00 ppm1 5.261 ppm2 3.085
ASSI ( resid 51 and name HB2 )
     ( resid 51 and name HB3 )
     6.0 0.1 0.1 peak 380 volume 0.000e+00 ppm1 3.333 ppm2 3.085
ASSI ( resid 25 and name HA )
     ( resid 25 and name HB )
     6.0 0.1 0.1 peak 381 volume 0.000e+00 ppm1 4.675 ppm2 1.572
ASSI ( resid 25 and name HA )
     ( resid 25 and name hg1# )
     6.0 0.1 0.1 peak 382 volume 0.000e+00 ppm1 4.677 ppm2 1.153
ASSI ( resid 25 and name HA )
     ( resid 25 and name hg2# )
     6.0 0.1 0.1 peak 383 volume 0.000e+00 ppm1 4.679 ppm2 1.063
ASSI ( resid 25 and name HA )
     ( resid 25 and name hd1# )
     6.0 0.1 0.1 peak 384 volume 0.000e+00 ppm1 4.677 ppm2 0.577
ASSI ( resid 25 and name HB )
     ( resid 25 and name hg2# )
     6.0 0.1 0.1 peak 386 volume 0.000e+00 ppm1 1.568 ppm2 1.062
ASSI ( resid 25 and name HB )
     ( resid 25 and name hd1# )
     6.0 0.1 0.1 peak 387 volume 0.000e+00 ppm1 1.574 ppm2 0.577
ASSI ( resid 25 and name hg1# )
     ( resid 25 and name hd1# )
     6.0 0.1 0.1 peak 390 volume 0.000e+00 ppm1 1.174 ppm2 0.578
ASSI ( resid 25 and name hg2# )
     ( resid 25 and name hd1# )
     6.0 0.1 0.1 peak 391 volume 0.000e+00 ppm1 1.069 ppm2 0.577
ASSI ( resid 98 and name HA )
     ( resid 98 and name HB2 )
     6.0 0.1 0.1 peak 392 volume 0.000e+00 ppm1 5.217 ppm2 2.971
ASSI ( resid 98 and name HA )
     ( resid 98 and name HB3 )
     6.0 0.1 0.1 peak 393 volume 0.000e+00 ppm1 5.217 ppm2 2.847
ASSI ( resid 59 and name HA )
     ( resid 59 and name HB2 )
     6.0 0.1 0.1 peak 395 volume 0.000e+00 ppm1 5.441 ppm2 2.697
ASSI ( resid 59 and name HA )
     ( resid 59 and name HB3 )
     6.0 0.1 0.1 peak 396 volume 0.000e+00 ppm1 5.441 ppm2 2.524
ASSI ( resid 59 and name HA )
     ( resid 59 and name HG2 )
     6.0 0.1 0.1 peak 397 volume 0.000e+00 ppm1 5.441 ppm2 1.963
ASSI ( resid 59 and name HA )
     ( resid 59 and name HG3 )
     6.0 0.1 0.1 peak 398 volume 0.000e+00 ppm1 5.439 ppm2 1.682
ASSI ( resid 59 and name HB2 )
     ( resid 59 and name HB3 )
     6.0 0.1 0.1 peak 399 volume 0.000e+00 ppm1 2.709 ppm2 2.514
ASSI ( resid 59 and name HB2 )
     ( resid 59 and name HG2 )
     6.0 0.1 0.1 peak 400 volume 0.000e+00 ppm1 2.697 ppm2 1.963
ASSI ( resid 59 and name HB2 )
     ( resid 59 and name HG3 )
     6.0 0.1 0.1 peak 401 volume 0.000e+00 ppm1 2.702 ppm2 1.673
ASSI ( resid 59 and name HB3 )
     ( resid 59 and name HG2 )
     6.0 0.1 0.1 peak 402 volume 0.000e+00 ppm1 2.524 ppm2 1.963
ASSI ( resid 59 and name HB3 )
     ( resid 59 and name HG3 )
     6.0 0.1 0.1 peak 403 volume 0.000e+00 ppm1 2.511 ppm2 1.671
ASSI ( resid 59 and name HG2 )
     ( resid 59 and name HG3 )
     6.0 0.1 0.1 peak 404 volume 0.000e+00 ppm1 1.962 ppm2 1.682
ASSI ( resid 131 and name HA )
     ( resid 131 and name HB )
     6.0 0.1 0.1 peak 405 volume 0.000e+00 ppm1 3.942 ppm2 2.044
ASSI ( resid 131 and name hg1# )
     ( resid 131 and name HA )
     6.0 0.1 0.1 peak 406 volume 0.000e+00 ppm1 3.942 ppm2 0.839
ASSI ( resid 131 and name HB )
     ( resid 131 and name hg1# )
     6.0 0.1 0.1 peak 408 volume 0.000e+00 ppm1 2.048 ppm2 0.841
ASSI ( resid 131 and name HB )
     ( resid 131 and name hg1# )
     6.0 0.1 0.1 peak 409 volume 0.000e+00 ppm1 2.046 ppm2 0.741
ASSI ( resid 125 and name HA )
     ( resid 125 and name HB )
     6.0 0.1 0.1 peak 417 volume 0.000e+00 ppm1 4.085 ppm2 2.247
ASSI ( resid 125 and name HA )
     ( resid 125 and name hg1# )
     6.0 0.1 0.1 peak 418 volume 0.000e+00 ppm1 4.088 ppm2 1.041
ASSI ( resid 125 and name HA )
     ( resid 125 and name hg2# )
     6.0 0.1 0.1 peak 419 volume 0.000e+00 ppm1 4.083 ppm2 0.926
ASSI ( resid 125 and name HB )
     ( resid 125 and name hg1# )
     6.0 0.1 0.1 peak 420 volume 0.000e+00 ppm1 2.245 ppm2 1.040
ASSI ( resid 125 and name HB )
     ( resid 125 and name hg2# )
     6.0 0.1 0.1 peak 421 volume 0.000e+00 ppm1 2.245 ppm2 0.927
ASSI ( resid 125 and name hg1# )
     ( resid 125 and name hg2# )
     6.0 0.1 0.1 peak 422 volume 0.000e+00 ppm1 1.057 ppm2 0.940
ASSI ( resid 76 and name HA )
     ( resid 76 and name HB2 )
     6.0 0.1 0.1 peak 423 volume 0.000e+00 ppm1 4.705 ppm2 1.865
ASSI ( resid 76 and name HA )
     ( resid 76 and name HB3 )
     6.0 0.1 0.1 peak 424 volume 0.000e+00 ppm1 4.705 ppm2 1.790
ASSI ( resid 76 and name HA )
     ( resid 76 and name hd# )
     6.0 0.1 0.1 peak 425 volume 0.000e+00 ppm1 4.705 ppm2 1.637
ASSI ( resid 76 and name HA )
     ( resid 76 and name hg# )
     6.0 0.1 0.1 peak 426 volume 0.000e+00 ppm1 4.705 ppm2 1.526
ASSI ( resid 76 and name HA )
     ( resid 76 and name hz# )
     6.0 0.1 0.1 peak 429 volume 0.000e+00 ppm1 4.705 ppm2 3.112
ASSI ( resid 82 and name HA )
     ( resid 82 and name hb# )
     6.0 0.1 0.1 peak 438 volume 0.000e+00 ppm1 4.977 ppm2 1.907
ASSI ( resid 82 and name HA )
     ( resid 82 and name HD3 )
     6.0 0.1 0.1 peak 439 volume 0.000e+00 ppm1 4.977 ppm2 1.721
ASSI ( resid 82 and name HA )
     ( resid 82 and name HG2 )
     6.0 0.1 0.1 peak 440 volume 0.000e+00 ppm1 4.977 ppm2 1.511
ASSI ( resid 82 and name HA )
     ( resid 82 and name HG3 )
     6.0 0.1 0.1 peak 441 volume 0.000e+00 ppm1 4.977 ppm2 1.376
ASSI ( resid 82 and name hb# )
     ( resid 82 and name HD3 )
     6.0 0.1 0.1 peak 442 volume 0.000e+00 ppm1 1.908 ppm2 1.719
ASSI ( resid 82 and name hb# )
     ( resid 82 and name HG2 )
     6.0 0.1 0.1 peak 443 volume 0.000e+00 ppm1 1.909 ppm2 1.512
ASSI ( resid 82 and name hb# )
     ( resid 82 and name HG3 )
     6.0 0.1 0.1 peak 444 volume 0.000e+00 ppm1 1.909 ppm2 1.374
ASSI ( resid 82 and name HG2 )
     ( resid 82 and name HG3 )
     6.0 0.1 0.1 peak 447 volume 0.000e+00 ppm1 1.511 ppm2 1.375
ASSI ( resid 81 and name HA )
     ( resid 81 and name HB2 )
     6.0 0.1 0.1 peak 448 volume 0.000e+00 ppm1 4.099 ppm2 3.236
ASSI ( resid 81 and name HA )
     ( resid 81 and name HB3 )
     6.0 0.1 0.1 peak 449 volume 0.000e+00 ppm1 4.095 ppm2 3.033
ASSI ( resid 81 and name HB2 )
     ( resid 81 and name HB3 )
     6.0 0.1 0.1 peak 450 volume 0.000e+00 ppm1 3.236 ppm2 3.033
ASSI ( resid 109 and name HA )
     ( resid 109 and name HB2 )
     6.0 0.1 0.1 peak 451 volume 0.000e+00 ppm1 5.289 ppm2 2.840
ASSI ( resid 109 and name HA )
     ( resid 109 and name HB3 )
     6.0 0.1 0.1 peak 452 volume 0.000e+00 ppm1 5.289 ppm2 2.610
ASSI ( resid 109 and name HB2 )
     ( resid 109 and name HB3 )
     6.0 0.1 0.1 peak 453 volume 0.000e+00 ppm1 2.839 ppm2 2.610
ASSI ( resid 102 and name HA )
     ( resid 102 and name HB2 )
     6.0 0.1 0.1 peak 454 volume 0.000e+00 ppm1 4.983 ppm2 3.310
ASSI ( resid 102 and name HA )
     ( resid 102 and name HB3 )
     6.0 0.1 0.1 peak 455 volume 0.000e+00 ppm1 4.983 ppm2 2.424
ASSI ( resid 102 and name HB2 )
     ( resid 102 and name HB3 )
     6.0 0.1 0.1 peak 456 volume 0.000e+00 ppm1 3.311 ppm2 2.425
ASSI ( resid 60 and name HA )
     ( resid 60 and name HB )
     6.0 0.1 0.1 peak 457 volume 0.000e+00 ppm1 4.670 ppm2 3.614
ASSI ( resid 60 and name HA )
     ( resid 60 and name hg2# )
     6.0 0.1 0.1 peak 458 volume 0.000e+00 ppm1 4.670 ppm2 1.249
ASSI ( resid 60 and name HB )
     ( resid 60 and name hg2# )
     6.0 0.1 0.1 peak 459 volume 0.000e+00 ppm1 3.616 ppm2 1.249
ASSI ( resid 101 and name HB3 )
     ( resid 101 and name HN )
     6.0 0.1 0.1 peak 460 volume 0.000e+00 ppm1 1.690 ppm2 8.896
ASSI ( resid 101 and name hd# )
     ( resid 101 and name HN )
     6.0 0.1 0.1 peak 461 volume 0.000e+00 ppm1 1.542 ppm2 8.896
ASSI ( resid 101 and name HB2 )
     ( resid 101 and name HB3 )
     6.0 0.1 0.1 peak 462 volume 0.000e+00 ppm1 1.872 ppm2 1.690
ASSI ( resid 101 and name HB2 )
     ( resid 101 and name hd# )
     6.0 0.1 0.1 peak 463 volume 0.000e+00 ppm1 1.856 ppm2 1.541
ASSI ( resid 101 and name HB2 )
     ( resid 101 and name hg# )
     6.0 0.1 0.1 peak 464 volume 0.000e+00 ppm1 1.859 ppm2 1.301
ASSI ( resid 101 and name HB3 )
     ( resid 101 and name hd# )
     6.0 0.1 0.1 peak 465 volume 0.000e+00 ppm1 1.693 ppm2 1.541
ASSI ( resid 101 and name HB3 )
     ( resid 101 and name hg# )
     6.0 0.1 0.1 peak 466 volume 0.000e+00 ppm1 1.690 ppm2 1.301
ASSI ( resid 101 and name hd# )
     ( resid 101 and name hg# )
     6.0 0.1 0.1 peak 467 volume 0.000e+00 ppm1 1.542 ppm2 1.301
ASSI ( resid 31 and name HA )
     ( resid 31 and name HB )
     6.0 0.1 0.1 peak 468 volume 0.000e+00 ppm1 4.299 ppm2 1.565
ASSI ( resid 31 and name HA )
     ( resid 31 and name hg1# )
     6.0 0.1 0.1 peak 469 volume 0.000e+00 ppm1 4.299 ppm2 0.902
ASSI ( resid 31 and name HA )
     ( resid 31 and name hg2# )
     6.0 0.1 0.1 peak 470 volume 0.000e+00 ppm1 4.299 ppm2 0.702
ASSI ( resid 31 and name HB )
     ( resid 31 and name hg1# )
     6.0 0.1 0.1 peak 471 volume 0.000e+00 ppm1 1.565 ppm2 0.902
ASSI ( resid 31 and name HB )
     ( resid 31 and name hg2# )
     6.0 0.1 0.1 peak 472 volume 0.000e+00 ppm1 1.565 ppm2 0.702
ASSI ( resid 31 and name hg1# )
     ( resid 31 and name hg2# )
     6.0 0.1 0.1 peak 473 volume 0.000e+00 ppm1 0.905 ppm2 0.702
ASSI ( resid 73 and name HA1 )
     ( resid 73 and name HA2 )
     6.0 0.1 0.1 peak 474 volume 0.000e+00 ppm1 4.498 ppm2 3.805
ASSI ( resid 22 and name HA )
     ( resid 22 and name HB )
     6.0 0.1 0.1 peak 476 volume 0.000e+00 ppm1 4.955 ppm2 3.986
ASSI ( resid 22 and name HA )
     ( resid 22 and name hg2# )
     6.0 0.1 0.1 peak 477 volume 0.000e+00 ppm1 4.958 ppm2 1.079
ASSI ( resid 22 and name HB )
     ( resid 22 and name hg2# )
     6.0 0.1 0.1 peak 478 volume 0.000e+00 ppm1 3.985 ppm2 1.077
ASSI ( resid 113 and name HA )
     ( resid 113 and name HB2 )
     6.0 0.1 0.1 peak 479 volume 0.000e+00 ppm1 5.619 ppm2 2.686
ASSI ( resid 113 and name HA )
     ( resid 113 and name HB3 )
     6.0 0.1 0.1 peak 480 volume 0.000e+00 ppm1 5.619 ppm2 2.392
ASSI ( resid 113 and name HB2 )
     ( resid 113 and name HB3 )
     6.0 0.1 0.1 peak 481 volume 0.000e+00 ppm1 2.688 ppm2 2.392
ASSI ( resid 56 and name HA )
     ( resid 56 and name HB2 )
     6.0 0.1 0.1 peak 482 volume 0.000e+00 ppm1 4.879 ppm2 3.003
ASSI ( resid 56 and name HA )
     ( resid 56 and name HB3 )
     6.0 0.1 0.1 peak 483 volume 0.000e+00 ppm1 4.878 ppm2 2.738
ASSI ( resid 56 and name HB2 )
     ( resid 56 and name HB3 )
     6.0 0.1 0.1 peak 484 volume 0.000e+00 ppm1 3.003 ppm2 2.738
ASSI ( resid 20 and name HA )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 485 volume 0.000e+00 ppm1 5.606 ppm2 3.559
ASSI ( resid 20 and name HA )
     ( resid 20 and name hg2# )
     6.0 0.1 0.1 peak 486 volume 0.000e+00 ppm1 5.606 ppm2 1.085
ASSI ( resid 20 and name HB )
     ( resid 20 and name hg2# )
     6.0 0.1 0.1 peak 487 volume 0.000e+00 ppm1 3.560 ppm2 1.083
ASSI ( resid 18 and name hg1# )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 489 volume 0.000e+00 ppm1 1.109 ppm2 7.903
ASSI ( resid 18 and name HA )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 490 volume 0.000e+00 ppm1 4.621 ppm2 1.730
ASSI ( resid 18 and name HA )
     ( resid 18 and name hg1# )
     6.0 0.1 0.1 peak 492 volume 0.000e+00 ppm1 4.624 ppm2 1.106
ASSI ( resid 18 and name HA )
     ( resid 18 and name hg2# )
     6.0 0.1 0.1 peak 493 volume 0.000e+00 ppm1 4.624 ppm2 0.753
ASSI ( resid 18 and name HB )
     ( resid 18 and name hg1# )
     6.0 0.1 0.1 peak 495 volume 0.000e+00 ppm1 1.733 ppm2 1.106
ASSI ( resid 18 and name HB )
     ( resid 18 and name hg2# )
     6.0 0.1 0.1 peak 496 volume 0.000e+00 ppm1 1.730 ppm2 0.753
ASSI ( resid 18 and name hg1# )
     ( resid 18 and name hg2# )
     6.0 0.1 0.1 peak 501 volume 0.000e+00 ppm1 1.107 ppm2 0.752
ASSI ( resid 28 and name HA )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 502 volume 0.000e+00 ppm1 4.346 ppm2 2.070
ASSI ( resid 28 and name HA )
     ( resid 28 and name HD3 )
     6.0 0.1 0.1 peak 503 volume 0.000e+00 ppm1 4.347 ppm2 1.382
ASSI ( resid 28 and name HA )
     ( resid 28 and name hg# )
     6.0 0.1 0.1 peak 504 volume 0.000e+00 ppm1 4.346 ppm2 1.140
ASSI ( resid 28 and name HB2 )
     ( resid 28 and name HD3 )
     6.0 0.1 0.1 peak 505 volume 0.000e+00 ppm1 2.071 ppm2 1.378
ASSI ( resid 28 and name HB2 )
     ( resid 28 and name hg# )
     6.0 0.1 0.1 peak 506 volume 0.000e+00 ppm1 2.068 ppm2 1.128
ASSI ( resid 28 and name HD3 )
     ( resid 28 and name hg# )
     6.0 0.1 0.1 peak 507 volume 0.000e+00 ppm1 1.379 ppm2 1.128
ASSI ( resid 30 and name HB3 )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 509 volume 0.000e+00 ppm1 1.737 ppm2 8.100
ASSI ( resid 30 and name HA )
     ( resid 30 and name HG3 )
     6.0 0.1 0.1 peak 510 volume 0.000e+00 ppm1 5.689 ppm2 2.119
ASSI ( resid 30 and name HA )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 511 volume 0.000e+00 ppm1 5.689 ppm2 1.990
ASSI ( resid 30 and name HA )
     ( resid 30 and name HB3 )
     6.0 0.1 0.1 peak 512 volume 0.000e+00 ppm1 5.686 ppm2 1.735
ASSI ( resid 119 and name HA )
     ( resid 119 and name HB2 )
     6.0 0.1 0.1 peak 517 volume 0.000e+00 ppm1 4.535 ppm2 2.679
ASSI ( resid 119 and name HA )
     ( resid 119 and name HB3 )
     6.0 0.1 0.1 peak 518 volume 0.000e+00 ppm1 4.535 ppm2 2.586
ASSI ( resid 106 and name HA )
     ( resid 106 and name HB2 )
     6.0 0.1 0.1 peak 521 volume 0.000e+00 ppm1 4.512 ppm2 2.246
ASSI ( resid 106 and name HA )
     ( resid 106 and name HG3 )
     6.0 0.1 0.1 peak 522 volume 0.000e+00 ppm1 4.512 ppm2 1.837
ASSI ( resid 106 and name HB2 )
     ( resid 106 and name HG3 )
     6.0 0.1 0.1 peak 525 volume 0.000e+00 ppm1 2.246 ppm2 1.837
ASSI ( resid 111 and name HA )
     ( resid 111 and name HB2 )
     6.0 0.1 0.1 peak 526 volume 0.000e+00 ppm1 5.132 ppm2 3.658
ASSI ( resid 111 and name HA )
     ( resid 111 and name HB3 )
     6.0 0.1 0.1 peak 527 volume 0.000e+00 ppm1 5.135 ppm2 3.549
ASSI ( resid 108 and name HB2 )
     ( resid 108 and name HB3 )
     6.0 0.1 0.1 peak 528 volume 0.000e+00 ppm1 3.708 ppm2 3.561
ASSI ( resid 86 and name HB2 )
     ( resid 86 and name HB3 )
     6.0 0.1 0.1 peak 529 volume 0.000e+00 ppm1 2.642 ppm2 2.326
ASSI ( resid 86 and name HA )
     ( resid 86 and name HB2 )
     6.0 0.1 0.1 peak 530 volume 0.000e+00 ppm1 4.640 ppm2 2.643
ASSI ( resid 86 and name HA )
     ( resid 86 and name HB3 )
     6.0 0.1 0.1 peak 531 volume 0.000e+00 ppm1 4.644 ppm2 2.326
ASSI ( resid 49 and name HA )
     ( resid 49 and name HB )
     6.0 0.1 0.1 peak 532 volume 0.000e+00 ppm1 3.767 ppm2 1.580
ASSI ( resid 49 and name HA )
     ( resid 49 and name hg1# )
     6.0 0.1 0.1 peak 533 volume 0.000e+00 ppm1 3.767 ppm2 0.751
ASSI ( resid 49 and name HA )
     ( resid 49 and name hg2# )
     6.0 0.1 0.1 peak 534 volume 0.000e+00 ppm1 3.767 ppm2 0.470
ASSI ( resid 49 and name HB )
     ( resid 49 and name hg1# )
     6.0 0.1 0.1 peak 535 volume 0.000e+00 ppm1 1.580 ppm2 0.753
ASSI ( resid 49 and name HB )
     ( resid 49 and name hg2# )
     6.0 0.1 0.1 peak 536 volume 0.000e+00 ppm1 1.580 ppm2 0.468
ASSI ( resid 49 and name hg1# )
     ( resid 49 and name hg2# )
     6.0 0.1 0.1 peak 537 volume 0.000e+00 ppm1 0.754 ppm2 0.468
ASSI ( resid 105 and name HA )
     ( resid 105 and name HB2 )
     6.0 0.1 0.1 peak 538 volume 0.000e+00 ppm1 4.202 ppm2 4.013
ASSI ( resid 105 and name HA )
     ( resid 105 and name HB3 )
     6.0 0.1 0.1 peak 539 volume 0.000e+00 ppm1 4.202 ppm2 3.912
ASSI ( resid 105 and name HB2 )
     ( resid 105 and name HB3 )
     6.0 0.1 0.1 peak 540 volume 0.000e+00 ppm1 4.012 ppm2 3.912
ASSI ( resid 58 and name HA )
     ( resid 58 and name HB2 )
     6.0 0.1 0.1 peak 541 volume 0.000e+00 ppm1 4.754 ppm2 2.780
ASSI ( resid 58 and name HA )
     ( resid 58 and name HB3 )
     6.0 0.1 0.1 peak 542 volume 0.000e+00 ppm1 4.756 ppm2 2.519
ASSI ( resid 58 and name HB2 )
     ( resid 58 and name HB3 )
     6.0 0.1 0.1 peak 543 volume 0.000e+00 ppm1 2.777 ppm2 2.519
ASSI ( resid 19 and name HA )
     ( resid 19 and name hb# )
     6.0 0.1 0.1 peak 544 volume 0.000e+00 ppm1 4.653 ppm2 1.269
ASSI ( resid 57 and name HA )
     ( resid 57 and name hb# )
     6.0 0.1 0.1 peak 545 volume 0.000e+00 ppm1 4.029 ppm2 1.519
ASSI ( resid 15 and name HA )
     ( resid 15 and name hg2# )
     6.0 0.1 0.1 peak 546 volume 0.000e+00 ppm1 4.481 ppm2 0.947
ASSI ( resid 75 and name HA )
     ( resid 75 and name HB )
     6.0 0.1 0.1 peak 547 volume 0.000e+00 ppm1 4.560 ppm2 1.576
ASSI ( resid 75 and name HA )
     ( resid 75 and name hg1# )
     6.0 0.1 0.1 peak 548 volume 0.000e+00 ppm1 4.560 ppm2 1.389
ASSI ( resid 75 and name HA )
     ( resid 75 and name hg2# )
     6.0 0.1 0.1 peak 549 volume 0.000e+00 ppm1 4.560 ppm2 0.532
ASSI ( resid 75 and name HB )
     ( resid 75 and name hg2# )
     6.0 0.1 0.1 peak 551 volume 0.000e+00 ppm1 1.575 ppm2 0.533
ASSI ( resid 75 and name hg1# )
     ( resid 75 and name hg2# )
     6.0 0.1 0.1 peak 552 volume 0.000e+00 ppm1 1.389 ppm2 0.533
ASSI ( resid 48 and name hb# )
     ( resid 48 and name HN )
     6.0 0.1 0.1 peak 559 volume 0.000e+00 ppm1 -0.032 ppm2 8.014
ASSI ( resid 110 and name HA )
     ( resid 110 and name HN )
     6.0 0.1 0.1 peak 561 volume 0.000e+00 ppm1 5.466 ppm2 8.638
ASSI ( resid 110 and name HB2 )
     ( resid 110 and name HN )
     6.0 0.1 0.1 peak 562 volume 0.000e+00 ppm1 3.015 ppm2 8.639
ASSI ( resid 110 and name HB3 )
     ( resid 110 and name HN )
     6.0 0.1 0.1 peak 563 volume 0.000e+00 ppm1 2.560 ppm2 8.639
ASSI ( resid 110 and name HA )
     ( resid 110 and name HB2 )
     6.0 0.1 0.1 peak 564 volume 0.000e+00 ppm1 5.463 ppm2 3.015
ASSI ( resid 110 and name HA )
     ( resid 110 and name HB3 )
     6.0 0.1 0.1 peak 565 volume 0.000e+00 ppm1 5.465 ppm2 2.559
ASSI ( resid 110 and name HB2 )
     ( resid 110 and name HB3 )
     6.0 0.1 0.1 peak 566 volume 0.000e+00 ppm1 3.018 ppm2 2.560
ASSI ( resid 108 and name HB2 )
     ( resid 108 and name HN )
     6.0 0.1 0.1 peak 567 volume 0.000e+00 ppm1 3.705 ppm2 8.648
ASSI ( resid 111 and name HB2 )
     ( resid 111 and name HN )
     6.0 0.1 0.1 peak 568 volume 0.000e+00 ppm1 3.656 ppm2 8.653
ASSI ( resid 111 and name HB3 )
     ( resid 111 and name HN )
     6.0 0.1 0.1 peak 569 volume 0.000e+00 ppm1 3.548 ppm2 8.652
ASSI ( resid 85 and name he# )
     ( resid 85 and name HN )
     6.0 0.1 0.1 peak 573 volume 0.000e+00 ppm1 2.925 ppm2 8.189
ASSI ( resid 85 and name HA )
     ( resid 85 and name hb# )
     6.0 0.1 0.1 peak 574 volume 0.000e+00 ppm1 5.440 ppm2 1.867
ASSI ( resid 85 and name HA )
     ( resid 85 and name hd# )
     6.0 0.1 0.1 peak 575 volume 0.000e+00 ppm1 5.439 ppm2 1.697
ASSI ( resid 85 and name HA )
     ( resid 85 and name hg# )
     6.0 0.1 0.1 peak 576 volume 0.000e+00 ppm1 5.440 ppm2 1.458
ASSI ( resid 85 and name he# )
     ( resid 85 and name hb# )
     6.0 0.1 0.1 peak 577 volume 0.000e+00 ppm1 2.923 ppm2 1.866
ASSI ( resid 85 and name he# )
     ( resid 85 and name hd# )
     6.0 0.1 0.1 peak 578 volume 0.000e+00 ppm1 2.923 ppm2 1.698
ASSI ( resid 85 and name he# )
     ( resid 85 and name hg# )
     6.0 0.1 0.1 peak 579 volume 0.000e+00 ppm1 2.923 ppm2 1.459
ASSI ( resid 85 and name hd# )
     ( resid 85 and name hg# )
     6.0 0.1 0.1 peak 580 volume 0.000e+00 ppm1 1.719 ppm2 1.459
ASSI ( resid 85 and name HA )
     ( resid 85 and name he# )
     6.0 0.1 0.1 peak 581 volume 0.000e+00 ppm1 5.438 ppm2 2.924
ASSI ( resid 117 and name HA )
     ( resid 117 and name HN )
     6.0 0.1 0.1 peak 582 volume 0.000e+00 ppm1 4.776 ppm2 9.134
ASSI ( resid 108 and name HA )
     ( resid 108 and name HB2 )
     6.0 0.1 0.1 peak 583 volume 0.000e+00 ppm1 4.906 ppm2 3.704
ASSI ( resid 108 and name HA )
     ( resid 108 and name HB3 )
     6.0 0.1 0.1 peak 584 volume 0.000e+00 ppm1 4.906 ppm2 3.559
ASSI ( resid 101 and name HA )
     ( resid 101 and name HB2 )
     6.0 0.1 0.1 peak 586 volume 0.000e+00 ppm1 4.883 ppm2 1.852
ASSI ( resid 101 and name HA )
     ( resid 101 and name HB3 )
     6.0 0.1 0.1 peak 587 volume 0.000e+00 ppm1 4.884 ppm2 1.690
ASSI ( resid 101 and name HA )
     ( resid 101 and name hd# )
     6.0 0.1 0.1 peak 588 volume 0.000e+00 ppm1 4.884 ppm2 1.541
ASSI ( resid 101 and name HA )
     ( resid 101 and name hg# )
     6.0 0.1 0.1 peak 589 volume 0.000e+00 ppm1 4.884 ppm2 1.301
ASSI ( resid 54 and name HA )
     ( resid 54 and name HB2 )
     6.0 0.1 0.1 peak 590 volume 0.000e+00 ppm1 4.777 ppm2 3.006
ASSI ( resid 54 and name HA )
     ( resid 54 and name HB3 )
     6.0 0.1 0.1 peak 591 volume 0.000e+00 ppm1 4.777 ppm2 2.892
ASSI ( resid 71 and name HA1 )
     ( resid 71 and name HN )
     6.0 0.1 0.1 peak 593 volume 0.000e+00 ppm1 4.219 ppm2 7.726
ASSI ( resid 71 and name HA2 )
     ( resid 71 and name HN )
     6.0 0.1 0.1 peak 594 volume 0.000e+00 ppm1 3.607 ppm2 7.726
ASSI ( resid 71 and name HA1 )
     ( resid 71 and name HA2 )
     6.0 0.1 0.1 peak 595 volume 0.000e+00 ppm1 4.219 ppm2 3.608
ASSI ( resid 72 and name HA )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 596 volume 0.000e+00 ppm1 4.546 ppm2 8.166
ASSI ( resid 72 and name HB2 )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 597 volume 0.000e+00 ppm1 2.901 ppm2 8.166
ASSI ( resid 72 and name HB3 )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 598 volume 0.000e+00 ppm1 2.831 ppm2 8.166
ASSI ( resid 26 and name HA )
     ( resid 26 and name hb# )
     6.0 0.1 0.1 peak 599 volume 0.000e+00 ppm1 4.400 ppm2 2.474
ASSI ( resid 26 and name HA )
     ( resid 26 and name HG3 )
     6.0 0.1 0.1 peak 600 volume 0.000e+00 ppm1 4.400 ppm2 2.000
ASSI ( resid 26 and name hb# )
     ( resid 26 and name HG3 )
     6.0 0.1 0.1 peak 601 volume 0.000e+00 ppm1 2.474 ppm2 2.000
ASSI ( resid 108 and name HA )
     ( resid 108 and name HG )
     6.0 0.1 0.1 peak 602 volume 0.000e+00 ppm1 4.908 ppm2 4.247
ASSI ( resid 108 and name HG )
     ( resid 108 and name HB3 )
     6.0 0.1 0.1 peak 603 volume 0.000e+00 ppm1 4.249 ppm2 3.561
ASSI ( resid 108 and name HG )
     ( resid 108 and name HB2 )
     6.0 0.1 0.1 peak 604 volume 0.000e+00 ppm1 4.249 ppm2 3.706
ASSI ( resid 108 and name HG )
     ( resid 108 and name HN )
     6.0 0.1 0.1 peak 605 volume 0.000e+00 ppm1 4.248 ppm2 8.648
ASSI ( resid 23 and name HA1 )
     ( resid 23 and name HA2 )
     6.0 0.1 0.1 peak 607 volume 0.000e+00 ppm1 3.974 ppm2 3.800
ASSI ( resid 23 and name HA2 )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 608 volume 0.000e+00 ppm1 3.795 ppm2 7.050
ASSI ( resid 23 and name HA1 )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 609 volume 0.000e+00 ppm1 3.975 ppm2 7.050
ASSI ( resid 117 and name HA )
     ( resid 117 and name HB2 )
     6.0 0.1 0.1 peak 610 volume 0.000e+00 ppm1 4.780 ppm2 3.301
ASSI ( resid 117 and name HA )
     ( resid 117 and name HB3 )
     6.0 0.1 0.1 peak 611 volume 0.000e+00 ppm1 4.776 ppm2 3.029
ASSI ( resid 117 and name HB2 )
     ( resid 117 and name HB3 )
     6.0 0.1 0.1 peak 612 volume 0.000e+00 ppm1 3.301 ppm2 3.030
ASSI ( resid 52 and name HB2 )
     ( resid 52 and name HB3 )
     6.0 0.1 0.1 peak 613 volume 0.000e+00 ppm1 3.969 ppm2 3.414
ASSI ( resid 52 and name HA )
     ( resid 52 and name HB3 )
     6.0 0.1 0.1 peak 615 volume 0.000e+00 ppm1 4.771 ppm2 3.414
ASSI ( resid 52 and name HA )
     ( resid 52 and name HB2 )
     6.0 0.1 0.1 peak 616 volume 0.000e+00 ppm1 4.774 ppm2 3.975
ASSI ( resid 72 and name HA )
     ( resid 72 and name HB2 )
     6.0 0.1 0.1 peak 617 volume 0.000e+00 ppm1 4.548 ppm2 2.901
ASSI ( resid 72 and name HA )
     ( resid 72 and name HB3 )
     6.0 0.1 0.1 peak 618 volume 0.000e+00 ppm1 4.547 ppm2 2.829
ASSI ( resid 104 and name HA )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 619 volume 0.000e+00 ppm1 4.725 ppm2 7.916
ASSI ( resid 104 and name hb# )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 620 volume 0.000e+00 ppm1 4.167 ppm2 7.916
ASSI ( resid 104 and name HA )
     ( resid 104 and name hb# )
     6.0 0.1 0.1 peak 622 volume 0.000e+00 ppm1 4.724 ppm2 4.166
ASSI ( resid 46 and name HA )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 623 volume 0.000e+00 ppm1 4.551 ppm2 9.162
ASSI ( resid 46 and name HB2 )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 624 volume 0.000e+00 ppm1 1.510 ppm2 9.162
ASSI ( resid 46 and name HB3 )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 626 volume 0.000e+00 ppm1 1.381 ppm2 9.162
ASSI ( resid 46 and name HB2 )
     ( resid 46 and name hd1# )
     6.0 0.1 0.1 peak 627 volume 0.000e+00 ppm1 1.510 ppm2 -0.115
ASSI ( resid 46 and name HB2 )
     ( resid 46 and name hd2# )
     6.0 0.1 0.1 peak 628 volume 0.000e+00 ppm1 1.510 ppm2 -0.311
ASSI ( resid 46 and name HB3 )
     ( resid 46 and name hd1# )
     6.0 0.1 0.1 peak 629 volume 0.000e+00 ppm1 1.381 ppm2 -0.113
ASSI ( resid 46 and name HB3 )
     ( resid 46 and name hd2# )
     6.0 0.1 0.1 peak 630 volume 0.000e+00 ppm1 1.381 ppm2 -0.311
ASSI ( resid 46 and name HG )
     ( resid 46 and name hd1# )
     6.0 0.1 0.1 peak 631 volume 0.000e+00 ppm1 0.847 ppm2 -0.115
ASSI ( resid 46 and name HG )
     ( resid 46 and name hd2# )
     6.0 0.1 0.1 peak 632 volume 0.000e+00 ppm1 0.847 ppm2 -0.311
ASSI ( resid 46 and name hd1# )
     ( resid 46 and name hd2# )
     6.0 0.1 0.1 peak 633 volume 0.000e+00 ppm1 -0.111 ppm2 -0.313
ASSI ( resid 46 and name HA )
     ( resid 46 and name hd2# )
     6.0 0.1 0.1 peak 634 volume 0.000e+00 ppm1 4.551 ppm2 -0.313
ASSI ( resid 46 and name HA )
     ( resid 46 and name hd1# )
     6.0 0.1 0.1 peak 635 volume 0.000e+00 ppm1 4.551 ppm2 -0.115
ASSI ( resid 46 and name HG )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 636 volume 0.000e+00 ppm1 4.551 ppm2 0.847
ASSI ( resid 46 and name HA )
     ( resid 46 and name HB2 )
     6.0 0.1 0.1 peak 637 volume 0.000e+00 ppm1 4.551 ppm2 1.509
ASSI ( resid 46 and name HB3 )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 638 volume 0.000e+00 ppm1 4.551 ppm2 1.383
ASSI ( resid 63 and name HA )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 639 volume 0.000e+00 ppm1 4.959 ppm2 8.746
ASSI ( resid 63 and name HB3 )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 640 volume 0.000e+00 ppm1 1.319 ppm2 8.746
ASSI ( resid 63 and name HG )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 641 volume 0.000e+00 ppm1 1.050 ppm2 8.744
ASSI ( resid 63 and name HB2 )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 642 volume 0.000e+00 ppm1 1.651 ppm2 0.267
ASSI ( resid 63 and name HB2 )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 643 volume 0.000e+00 ppm1 1.651 ppm2 -0.191
ASSI ( resid 63 and name HB3 )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 644 volume 0.000e+00 ppm1 1.330 ppm2 0.267
ASSI ( resid 63 and name HB3 )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 645 volume 0.000e+00 ppm1 1.330 ppm2 -0.192
ASSI ( resid 63 and name HG )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 646 volume 0.000e+00 ppm1 1.046 ppm2 -0.192
ASSI ( resid 63 and name HG )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 647 volume 0.000e+00 ppm1 1.044 ppm2 0.267
ASSI ( resid 63 and name hd1# )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 648 volume 0.000e+00 ppm1 0.271 ppm2 -0.192
ASSI ( resid 63 and name HA )
     ( resid 63 and name HB2 )
     6.0 0.1 0.1 peak 649 volume 0.000e+00 ppm1 4.969 ppm2 1.654
ASSI ( resid 63 and name HA )
     ( resid 63 and name HB3 )
     6.0 0.1 0.1 peak 650 volume 0.000e+00 ppm1 4.969 ppm2 1.333
ASSI ( resid 63 and name HA )
     ( resid 63 and name HG )
     6.0 0.1 0.1 peak 651 volume 0.000e+00 ppm1 4.969 ppm2 1.049
ASSI ( resid 63 and name HA )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 652 volume 0.000e+00 ppm1 4.970 ppm2 0.266
ASSI ( resid 63 and name HA )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 653 volume 0.000e+00 ppm1 4.969 ppm2 -0.191
ASSI ( resid 107 and name HB )
     ( resid 107 and name HN )
     6.0 0.1 0.1 peak 654 volume 0.000e+00 ppm1 3.987 ppm2 8.651
ASSI ( resid 107 and name HA )
     ( resid 107 and name HB )
     6.0 0.1 0.1 peak 655 volume 0.000e+00 ppm1 4.374 ppm2 3.988
ASSI ( resid 55 and name HA )
     ( resid 55 and name HB )
     6.0 0.1 0.1 peak 656 volume 0.000e+00 ppm1 4.015 ppm2 2.193
ASSI ( resid 55 and name HA )
     ( resid 55 and name hg# )
     6.0 0.1 0.1 peak 657 volume 0.000e+00 ppm1 4.015 ppm2 1.024
ASSI ( resid 55 and name HB )
     ( resid 55 and name hg# )
     6.0 0.1 0.1 peak 658 volume 0.000e+00 ppm1 2.194 ppm2 1.024
ASSI ( resid 89 and name HA )
     ( resid 89 and name HN )
     6.0 0.1 0.1 peak 659 volume 0.000e+00 ppm1 4.368 ppm2 8.523
ASSI ( resid 89 and name HB2 )
     ( resid 89 and name HN )
     6.0 0.1 0.1 peak 660 volume 0.000e+00 ppm1 2.907 ppm2 8.523
ASSI ( resid 89 and name HB3 )
     ( resid 89 and name HN )
     6.0 0.1 0.1 peak 661 volume 0.000e+00 ppm1 2.523 ppm2 8.523
ASSI ( resid 89 and name HA )
     ( resid 89 and name HB3 )
     6.0 0.1 0.1 peak 662 volume 0.000e+00 ppm1 4.368 ppm2 2.524
ASSI ( resid 89 and name HA )
     ( resid 89 and name HB2 )
     6.0 0.1 0.1 peak 663 volume 0.000e+00 ppm1 4.368 ppm2 2.905
ASSI ( resid 89 and name HB2 )
     ( resid 89 and name HB3 )
     6.0 0.1 0.1 peak 664 volume 0.000e+00 ppm1 2.907 ppm2 2.524
ASSI ( resid 17 and name HA )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 668 volume 0.000e+00 ppm1 4.726 ppm2 8.463
ASSI ( resid 17 and name HA )
     ( resid 17 and name HB3 )
     6.0 0.1 0.1 peak 669 volume 0.000e+00 ppm1 4.726 ppm2 2.853
ASSI ( resid 17 and name HA )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 670 volume 0.000e+00 ppm1 4.726 ppm2 2.932
ASSI ( resid 106 and name HA )
     ( resid 106 and name HB3 )
     6.0 0.1 0.1 peak 673 volume 0.000e+00 ppm1 4.512 ppm2 2.223
ASSI ( resid 106 and name HA )
     ( resid 106 and name HG2 )
     6.0 0.1 0.1 peak 674 volume 0.000e+00 ppm1 4.512 ppm2 2.022
ASSI ( resid 106 and name HB3 )
     ( resid 106 and name HG3 )
     6.0 0.1 0.1 peak 675 volume 0.000e+00 ppm1 2.213 ppm2 1.837
ASSI ( resid 106 and name HB2 )
     ( resid 106 and name HG2 )
     6.0 0.1 0.1 peak 676 volume 0.000e+00 ppm1 2.246 ppm2 2.022
ASSI ( resid 106 and name HB3 )
     ( resid 106 and name HG2 )
     6.0 0.1 0.1 peak 677 volume 0.000e+00 ppm1 2.213 ppm2 2.022
ASSI ( resid 106 and name HG2 )
     ( resid 106 and name HG3 )
     6.0 0.1 0.1 peak 679 volume 0.000e+00 ppm1 2.023 ppm2 1.837
ASSI ( resid 106 and name HB3 )
     ( resid 106 and name HN )
     6.0 0.1 0.1 peak 680 volume 0.000e+00 ppm1 2.219 ppm2 8.459
ASSI ( resid 106 and name HG2 )
     ( resid 106 and name HN )
     6.0 0.1 0.1 peak 681 volume 0.000e+00 ppm1 2.019 ppm2 8.459
ASSI ( resid 80 and name HA )
     ( resid 80 and name HN )
     6.0 0.1 0.1 peak 684 volume 0.000e+00 ppm1 3.589 ppm2 7.817
ASSI ( resid 116 and name hg1# )
     ( resid 116 and name hg2# )
     6.0 0.1 0.1 peak 686 volume 0.000e+00 ppm1 1.188 ppm2 0.866
ASSI ( resid 70 and name HA )
     ( resid 70 and name HN )
     6.0 0.1 0.1 peak 689 volume 0.000e+00 ppm1 4.590 ppm2 7.928
ASSI ( resid 70 and name hb# )
     ( resid 70 and name HN )
     6.0 0.1 0.1 peak 690 volume 0.000e+00 ppm1 2.811 ppm2 7.929
ASSI ( resid 70 and name HA )
     ( resid 70 and name hb# )
     6.0 0.1 0.1 peak 691 volume 0.000e+00 ppm1 4.588 ppm2 2.809
ASSI ( resid 61 and name HG )
     ( resid 61 and name HN )
     6.0 0.1 0.1 peak 693 volume 0.000e+00 ppm1 1.102 ppm2 9.063
ASSI ( resid 61 and name hd1# )
     ( resid 61 and name HN )
     6.0 0.1 0.1 peak 694 volume 0.000e+00 ppm1 0.904 ppm2 9.063
ASSI ( resid 61 and name hd2# )
     ( resid 61 and name HN )
     6.0 0.1 0.1 peak 695 volume 0.000e+00 ppm1 0.591 ppm2 9.063
ASSI ( resid 61 and name HA )
     ( resid 61 and name hb# )
     6.0 0.1 0.1 peak 696 volume 0.000e+00 ppm1 5.030 ppm2 1.861
ASSI ( resid 61 and name HA )
     ( resid 61 and name HG )
     6.0 0.1 0.1 peak 697 volume 0.000e+00 ppm1 5.028 ppm2 1.101
ASSI ( resid 61 and name HA )
     ( resid 61 and name hd1# )
     6.0 0.1 0.1 peak 698 volume 0.000e+00 ppm1 5.028 ppm2 0.904
ASSI ( resid 61 and name HA )
     ( resid 61 and name hd2# )
     6.0 0.1 0.1 peak 699 volume 0.000e+00 ppm1 5.028 ppm2 0.590
ASSI ( resid 61 and name hb# )
     ( resid 61 and name HG )
     6.0 0.1 0.1 peak 700 volume 0.000e+00 ppm1 1.861 ppm2 1.101
ASSI ( resid 61 and name hb# )
     ( resid 61 and name hd1# )
     6.0 0.1 0.1 peak 701 volume 0.000e+00 ppm1 1.861 ppm2 0.904
ASSI ( resid 61 and name hb# )
     ( resid 61 and name hd2# )
     6.0 0.1 0.1 peak 702 volume 0.000e+00 ppm1 1.861 ppm2 0.591
ASSI ( resid 61 and name hd1# )
     ( resid 61 and name hd2# )
     6.0 0.1 0.1 peak 703 volume 0.000e+00 ppm1 0.903 ppm2 0.591
ASSI ( resid 61 and name HG )
     ( resid 61 and name hd2# )
     6.0 0.1 0.1 peak 704 volume 0.000e+00 ppm1 1.102 ppm2 0.591
ASSI ( resid 61 and name hb# )
     ( resid 61 and name HN )
     6.0 0.1 0.1 peak 705 volume 0.000e+00 ppm1 1.860 ppm2 9.062
ASSI ( resid 103 and name HB2 )
     ( resid 103 and name HB3 )
     6.0 0.1 0.1 peak 706 volume 0.000e+00 ppm1 2.736 ppm2 2.294
ASSI ( resid 103 and name HA )
     ( resid 103 and name HB2 )
     6.0 0.1 0.1 peak 707 volume 0.000e+00 ppm1 4.652 ppm2 2.735
ASSI ( resid 103 and name HA )
     ( resid 103 and name HB3 )
     6.0 0.1 0.1 peak 708 volume 0.000e+00 ppm1 4.652 ppm2 2.294
ASSI ( resid 103 and name HA )
     ( resid 103 and name HN )
     6.0 0.1 0.1 peak 709 volume 0.000e+00 ppm1 4.653 ppm2 9.067
ASSI ( resid 103 and name HB2 )
     ( resid 103 and name HN )
     6.0 0.1 0.1 peak 710 volume 0.000e+00 ppm1 2.735 ppm2 9.067
ASSI ( resid 48 and name HA )
     ( resid 48 and name hb# )
     6.0 0.1 0.1 peak 721 volume 0.000e+00 ppm1 4.774 ppm2 -0.031
ASSI ( resid 90 and name HA )
     ( resid 90 and name HN )
     6.0 0.1 0.1 peak 722 volume 0.000e+00 ppm1 4.663 ppm2 8.356
ASSI ( resid 90 and name HB2 )
     ( resid 90 and name HN )
     6.0 0.1 0.1 peak 723 volume 0.000e+00 ppm1 3.166 ppm2 8.356
ASSI ( resid 90 and name HB3 )
     ( resid 90 and name HN )
     6.0 0.1 0.1 peak 724 volume 0.000e+00 ppm1 2.968 ppm2 8.356
ASSI ( resid 90 and name HA )
     ( resid 90 and name HB2 )
     6.0 0.1 0.1 peak 725 volume 0.000e+00 ppm1 4.665 ppm2 3.165
ASSI ( resid 90 and name HA )
     ( resid 90 and name HB3 )
     6.0 0.1 0.1 peak 726 volume 0.000e+00 ppm1 4.663 ppm2 2.968
ASSI ( resid 97 and name HA )
     ( resid 97 and name hd1# )
     6.0 0.1 0.1 peak 736 volume 0.000e+00 ppm1 4.425 ppm2 1.015
ASSI ( resid 97 and name HA )
     ( resid 97 and name hg1# )
     6.0 0.1 0.1 peak 737 volume 0.000e+00 ppm1 4.425 ppm2 0.419
ASSI ( resid 97 and name hd1# )
     ( resid 97 and name hg1# )
     6.0 0.1 0.1 peak 738 volume 0.000e+00 ppm1 1.016 ppm2 0.418
ASSI ( resid 53 and name HA )
     ( resid 53 and name HN )
     6.0 0.1 0.1 peak 741 volume 0.000e+00 ppm1 4.247 ppm2 8.148
ASSI ( resid 30 and name HG2 )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 744 volume 0.000e+00 ppm1 2.171 ppm2 8.100
ASSI ( resid 30 and name HA )
     ( resid 30 and name HG2 )
     6.0 0.1 0.1 peak 745 volume 0.000e+00 ppm1 5.690 ppm2 2.170
ASSI ( resid 50 and name HG )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 746 volume 0.000e+00 ppm1 1.480 ppm2 8.388
ASSI ( resid 45 and name HA )
     ( resid 45 and name HB2 )
     6.0 0.1 0.1 peak 747 volume 0.000e+00 ppm1 4.476 ppm2 2.097
ASSI ( resid 45 and name HA )
     ( resid 45 and name HB3 )
     6.0 0.1 0.1 peak 748 volume 0.000e+00 ppm1 4.476 ppm2 1.983
ASSI ( resid 45 and name HB2 )
     ( resid 45 and name HB3 )
     6.0 0.1 0.1 peak 749 volume 0.000e+00 ppm1 2.091 ppm2 1.982
ASSI ( resid 50 and name HA )
     ( resid 50 and name hb# )
     6.0 0.1 0.1 peak 750 volume 0.000e+00 ppm1 4.780 ppm2 1.714
ASSI ( resid 50 and name HA )
     ( resid 50 and name HG )
     6.0 0.1 0.1 peak 751 volume 0.000e+00 ppm1 4.780 ppm2 1.482
ASSI ( resid 64 and name HA )
     ( resid 64 and name hd1# )
     6.0 0.1 0.1 peak 757 volume 0.000e+00 ppm1 5.261 ppm2 0.663
ASSI ( resid 64 and name HA )
     ( resid 64 and name hd2# )
     6.0 0.1 0.1 peak 758 volume 0.000e+00 ppm1 5.261 ppm2 0.554
ASSI ( resid 64 and name HB2 )
     ( resid 64 and name hd1# )
     6.0 0.1 0.1 peak 760 volume 0.000e+00 ppm1 1.906 ppm2 0.663
ASSI ( resid 64 and name HB2 )
     ( resid 64 and name hd2# )
     6.0 0.1 0.1 peak 761 volume 0.000e+00 ppm1 1.905 ppm2 0.554
ASSI ( resid 64 and name HB3 )
     ( resid 64 and name hd1# )
     6.0 0.1 0.1 peak 762 volume 0.000e+00 ppm1 1.535 ppm2 0.661
ASSI ( resid 64 and name HB3 )
     ( resid 64 and name hd2# )
     6.0 0.1 0.1 peak 763 volume 0.000e+00 ppm1 1.534 ppm2 0.554
ASSI ( resid 64 and name HG )
     ( resid 64 and name hd1# )
     6.0 0.1 0.1 peak 764 volume 0.000e+00 ppm1 1.425 ppm2 0.663
ASSI ( resid 64 and name HG )
     ( resid 64 and name hd2# )
     6.0 0.1 0.1 peak 765 volume 0.000e+00 ppm1 1.426 ppm2 0.555
ASSI ( resid 64 and name hd1# )
     ( resid 64 and name hd2# )
     6.0 0.1 0.1 peak 766 volume 0.000e+00 ppm1 0.663 ppm2 0.555
ASSI ( resid 107 and name HA )
     ( resid 107 and name hg2# )
     6.0 0.1 0.1 peak 772 volume 0.000e+00 ppm1 4.374 ppm2 1.108
ASSI ( resid 107 and name HB )
     ( resid 107 and name hg2# )
     6.0 0.1 0.1 peak 773 volume 0.000e+00 ppm1 3.989 ppm2 1.108
ASSI ( resid 131 and name hg2# )
     ( resid 131 and name HA )
     6.0 0.1 0.1 peak 790 volume 0.000e+00 ppm1 3.942 ppm2 0.741
ASSI ( resid 77 and name HA )
     ( resid 77 and name HB2 )
     6.0 0.1 0.1 peak 794 volume 0.000e+00 ppm1 5.679 ppm2 2.049
ASSI ( resid 77 and name HA )
     ( resid 77 and name hg# )
     6.0 0.1 0.1 peak 795 volume 0.000e+00 ppm1 5.679 ppm2 1.456
ASSI ( resid 77 and name HB2 )
     ( resid 77 and name hg# )
     6.0 0.1 0.1 peak 796 volume 0.000e+00 ppm1 2.048 ppm2 1.456
ASSI ( resid 121 and name hb# )
     ( resid 121 and name HN )
     6.0 0.1 0.1 peak 809 volume 0.000e+00 ppm1 2.294 ppm2 8.378
ASSI ( resid 121 and name hg# )
     ( resid 121 and name HN )
     6.0 0.1 0.1 peak 810 volume 0.000e+00 ppm1 1.898 ppm2 8.377
ASSI ( resid 29 and name HA1 )
     ( resid 29 and name HA2 )
     6.0 0.1 0.1 peak 814 volume 0.000e+00 ppm1 4.336 ppm2 3.555
ASSI ( resid 74 and name hb# )
     ( resid 74 and name HN )
     6.0 0.1 0.1 peak 815 volume 0.000e+00 ppm1 2.174 ppm2 8.748
ASSI ( resid 74 and name hg# )
     ( resid 74 and name HN )
     6.0 0.1 0.1 peak 816 volume 0.000e+00 ppm1 1.840 ppm2 8.748
ASSI ( resid 74 and name HA )
     ( resid 74 and name HN )
     6.0 0.1 0.1 peak 817 volume 0.000e+00 ppm1 4.418 ppm2 8.749
ASSI ( resid 74 and name HA )
     ( resid 74 and name hb# )
     6.0 0.1 0.1 peak 818 volume 0.000e+00 ppm1 4.417 ppm2 2.172
ASSI ( resid 74 and name HA )
     ( resid 74 and name hg# )
     6.0 0.1 0.1 peak 819 volume 0.000e+00 ppm1 4.417 ppm2 1.841
ASSI ( resid 69 and name HA1 )
     ( resid 69 and name HN )
     6.0 0.1 0.1 peak 820 volume 0.000e+00 ppm1 3.945 ppm2 7.856
ASSI ( resid 69 and name HA2 )
     ( resid 69 and name HN )
     6.0 0.1 0.1 peak 821 volume 0.000e+00 ppm1 3.502 ppm2 7.858
ASSI ( resid 69 and name HA2 )
     ( resid 69 and name HA1 )
     6.0 0.1 0.1 peak 822 volume 0.000e+00 ppm1 3.945 ppm2 3.503
ASSI ( resid 120 and name HA )
     ( resid 120 and name HB3 )
     6.0 0.1 0.1 peak 826 volume 0.000e+00 ppm1 4.345 ppm2 1.610
ASSI ( resid 19 and name HA )
     ( resid 20 and name HN )
     6.0 0.1 0.1 peak 842 volume 0.000e+00 ppm1 4.648 ppm2 8.121
ASSI ( resid 19 and name hb# )
     ( resid 20 and name HN )
     6.0 0.1 0.1 peak 843 volume 0.000e+00 ppm1 1.274 ppm2 8.121
ASSI ( resid 20 and name HA )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 845 volume 0.000e+00 ppm1 5.609 ppm2 9.578
ASSI ( resid 20 and name HB )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 846 volume 0.000e+00 ppm1 3.560 ppm2 9.577
ASSI ( resid 21 and name HA )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 847 volume 0.000e+00 ppm1 4.752 ppm2 8.607
ASSI ( resid 21 and name HB2 )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 848 volume 0.000e+00 ppm1 3.260 ppm2 8.607
ASSI ( resid 18 and name HB )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 859 volume 0.000e+00 ppm1 1.739 ppm2 9.143
ASSI ( resid 98 and name HA )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 862 volume 7.022e+04 ppm1 5.212 ppm2 9.980
ASSI ( resid 98 and name HB2 )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 863 volume 0.000e+00 ppm1 2.971 ppm2 9.980
ASSI ( resid 98 and name HB3 )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 864 volume 0.000e+00 ppm1 2.848 ppm2 9.980
ASSI ( resid 99 and name HA )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 867 volume 0.000e+00 ppm1 5.243 ppm2 9.375
ASSI ( resid 99 and name HB2 )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 868 volume 6.490e+02 ppm1 1.762 ppm2 9.375
ASSI ( resid 99 and name HB3 )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 869 volume 2.138e+03 ppm1 1.428 ppm2 9.375
ASSI ( resid 100 and name HA )
     ( resid 101 and name HN )
     6.0 0.1 0.1 peak 871 volume 0.000e+00 ppm1 4.476 ppm2 8.897
ASSI ( resid 101 and name HA )
     ( resid 102 and name HN )
     6.0 0.1 0.1 peak 872 volume 0.000e+00 ppm1 4.885 ppm2 8.838
ASSI ( resid 101 and name HB2 )
     ( resid 102 and name HN )
     6.0 0.1 0.1 peak 873 volume 0.000e+00 ppm1 1.869 ppm2 8.838
ASSI ( resid 102 and name HA )
     ( resid 103 and name HN )
     6.0 0.1 0.1 peak 876 volume 0.000e+00 ppm1 4.983 ppm2 9.066
ASSI ( resid 102 and name HB2 )
     ( resid 103 and name HN )
     6.0 0.1 0.1 peak 877 volume 0.000e+00 ppm1 3.311 ppm2 9.067
ASSI ( resid 102 and name HB3 )
     ( resid 103 and name HN )
     6.0 0.1 0.1 peak 878 volume 0.000e+00 ppm1 2.424 ppm2 9.067
ASSI ( resid 103 and name HA )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 881 volume 0.000e+00 ppm1 4.653 ppm2 7.917
ASSI ( resid 103 and name HB2 )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 882 volume 0.000e+00 ppm1 2.736 ppm2 7.917
ASSI ( resid 103 and name HB3 )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 883 volume 0.000e+00 ppm1 2.296 ppm2 7.917
ASSI ( resid 81 and name HA )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 892 volume 0.000e+00 ppm1 4.094 ppm2 7.617
ASSI ( resid 81 and name HB2 )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 893 volume 0.000e+00 ppm1 3.236 ppm2 7.617
ASSI ( resid 81 and name HB3 )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 894 volume 0.000e+00 ppm1 3.034 ppm2 7.617
ASSI ( resid 104 and name HA )
     ( resid 105 and name HN )
     6.0 0.1 0.1 peak 895 volume 0.000e+00 ppm1 4.728 ppm2 8.556
ASSI ( resid 104 and name hb# )
     ( resid 105 and name HN )
     6.0 0.1 0.1 peak 896 volume 0.000e+00 ppm1 4.171 ppm2 8.562
ASSI ( resid 105 and name HA )
     ( resid 106 and name HN )
     6.0 0.1 0.1 peak 901 volume 0.000e+00 ppm1 4.196 ppm2 8.459
ASSI ( resid 105 and name HB2 )
     ( resid 106 and name HN )
     6.0 0.1 0.1 peak 902 volume 0.000e+00 ppm1 3.997 ppm2 8.458
ASSI ( resid 105 and name HB3 )
     ( resid 106 and name HN )
     6.0 0.1 0.1 peak 903 volume 0.000e+00 ppm1 3.906 ppm2 8.459
ASSI ( resid 76 and name HA )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 906 volume 0.000e+00 ppm1 4.703 ppm2 8.247
ASSI ( resid 76 and name HB2 )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 907 volume 0.000e+00 ppm1 1.865 ppm2 8.245
ASSI ( resid 77 and name HA )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 911 volume 8.730e+04 ppm1 5.670 ppm2 9.783
ASSI ( resid 77 and name HB2 )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 912 volume 1.560e+03 ppm1 2.052 ppm2 9.782
ASSI ( resid 77 and name hg# )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 913 volume 1.069e+03 ppm1 1.447 ppm2 9.783
ASSI ( resid 48 and name hb# )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 914 volume 0.000e+00 ppm1 -0.031 ppm2 8.356
ASSI ( resid 48 and name HA )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 915 volume 0.000e+00 ppm1 4.774 ppm2 8.356
ASSI ( resid 78 and name HB2 )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 924 volume 0.000e+00 ppm1 3.136 ppm2 8.030
ASSI ( resid 78 and name HB3 )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 925 volume 0.000e+00 ppm1 2.428 ppm2 8.033
ASSI ( resid 78 and name HA )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 926 volume 0.000e+00 ppm1 5.038 ppm2 8.033
ASSI ( resid 22 and name HB )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 929 volume 0.000e+00 ppm1 3.986 ppm2 7.050
ASSI ( resid 22 and name HA )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 930 volume 4.717e+04 ppm1 4.955 ppm2 7.051
ASSI ( resid 56 and name HA )
     ( resid 57 and name HN )
     6.0 0.1 0.1 peak 933 volume 0.000e+00 ppm1 4.880 ppm2 7.331
ASSI ( resid 56 and name HB2 )
     ( resid 57 and name HN )
     6.0 0.1 0.1 peak 934 volume 0.000e+00 ppm1 3.002 ppm2 7.331
ASSI ( resid 56 and name HB3 )
     ( resid 57 and name HN )
     6.0 0.1 0.1 peak 935 volume 0.000e+00 ppm1 2.741 ppm2 7.330
ASSI ( resid 57 and name hb# )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 936 volume 0.000e+00 ppm1 1.514 ppm2 9.078
ASSI ( resid 57 and name HA )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 937 volume 0.000e+00 ppm1 4.041 ppm2 9.083
ASSI ( resid 58 and name HA )
     ( resid 59 and name HN )
     6.0 0.1 0.1 peak 940 volume 0.000e+00 ppm1 4.754 ppm2 7.264
ASSI ( resid 58 and name HB2 )
     ( resid 59 and name HN )
     6.0 0.1 0.1 peak 941 volume 0.000e+00 ppm1 2.790 ppm2 7.261
ASSI ( resid 59 and name HA )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 946 volume 0.000e+00 ppm1 5.442 ppm2 8.842
ASSI ( resid 59 and name HG2 )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 947 volume 0.000e+00 ppm1 1.963 ppm2 8.842
ASSI ( resid 59 and name HG3 )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 948 volume 0.000e+00 ppm1 1.684 ppm2 8.842
ASSI ( resid 60 and name HA )
     ( resid 61 and name HN )
     6.0 0.1 0.1 peak 949 volume 0.000e+00 ppm1 4.675 ppm2 9.064
ASSI ( resid 61 and name HA )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 955 volume 0.000e+00 ppm1 5.031 ppm2 9.904
ASSI ( resid 61 and name hb# )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 956 volume 1.108e+03 ppm1 1.861 ppm2 9.903
ASSI ( resid 112 and name HA )
     ( resid 113 and name HN )
     6.0 0.1 0.1 peak 959 volume 8.981e+04 ppm1 5.107 ppm2 8.493
ASSI ( resid 113 and name HA )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 962 volume 0.000e+00 ppm1 5.619 ppm2 9.303
ASSI ( resid 113 and name HB2 )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 965 volume 0.000e+00 ppm1 2.682 ppm2 9.306
ASSI ( resid 113 and name HB3 )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 966 volume 0.000e+00 ppm1 2.392 ppm2 9.306
ASSI ( resid 23 and name HA1 )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 969 volume 0.000e+00 ppm1 3.974 ppm2 8.394
ASSI ( resid 23 and name HA2 )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 970 volume 0.000e+00 ppm1 3.793 ppm2 8.394
ASSI ( resid 24 and name HA )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 971 volume 0.000e+00 ppm1 5.037 ppm2 9.251
ASSI ( resid 24 and name HB )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 972 volume 0.000e+00 ppm1 3.816 ppm2 9.252
ASSI ( resid 25 and name HA )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 977 volume 0.000e+00 ppm1 4.670 ppm2 8.747
ASSI ( resid 28 and name HA )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 980 volume 0.000e+00 ppm1 4.348 ppm2 8.211
ASSI ( resid 28 and name hb# )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 981 volume 0.000e+00 ppm1 2.071 ppm2 8.218
ASSI ( resid 29 and name HA1 )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 984 volume 0.000e+00 ppm1 4.336 ppm2 8.101
ASSI ( resid 29 and name HA2 )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 985 volume 0.000e+00 ppm1 3.561 ppm2 8.101
ASSI ( resid 30 and name HA )
     ( resid 31 and name HN )
     6.0 0.1 0.1 peak 988 volume 1.203e+05 ppm1 5.692 ppm2 8.861
ASSI ( resid 62 and name HA )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 989 volume 0.000e+00 ppm1 4.594 ppm2 8.743
ASSI ( resid 106 and name HA )
     ( resid 107 and name HN )
     6.0 0.1 0.1 peak 992 volume 0.000e+00 ppm1 4.512 ppm2 8.659
ASSI ( resid 106 and name HB2 )
     ( resid 107 and name HN )
     6.0 0.1 0.1 peak 993 volume 0.000e+00 ppm1 2.247 ppm2 8.659
ASSI ( resid 106 and name HB3 )
     ( resid 107 and name HN )
     6.0 0.1 0.1 peak 994 volume 0.000e+00 ppm1 2.215 ppm2 8.659
ASSI ( resid 108 and name HA )
     ( resid 109 and name HN )
     6.0 0.1 0.1 peak 997 volume 0.000e+00 ppm1 4.906 ppm2 8.623
ASSI ( resid 108 and name HB2 )
     ( resid 109 and name HN )
     6.0 0.1 0.1 peak 998 volume 0.000e+00 ppm1 3.704 ppm2 8.620
ASSI ( resid 108 and name HB3 )
     ( resid 109 and name HN )
     6.0 0.1 0.1 peak 999 volume 0.000e+00 ppm1 3.560 ppm2 8.620
ASSI ( resid 71 and name HA1 )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 1002 volume 0.000e+00 ppm1 4.215 ppm2 8.166
ASSI ( resid 71 and name HA2 )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 1003 volume 0.000e+00 ppm1 3.610 ppm2 8.162
ASSI ( resid 72 and name HA )
     ( resid 73 and name HN )
     6.0 0.1 0.1 peak 1006 volume 0.000e+00 ppm1 4.545 ppm2 8.683
ASSI ( resid 72 and name HB3 )
     ( resid 73 and name HN )
     6.0 0.1 0.1 peak 1007 volume 0.000e+00 ppm1 2.831 ppm2 8.684
ASSI ( resid 72 and name HB2 )
     ( resid 73 and name HN )
     6.0 0.1 0.1 peak 1008 volume 0.000e+00 ppm1 2.901 ppm2 8.684
ASSI ( resid 17 and name HA )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 1014 volume 0.000e+00 ppm1 4.726 ppm2 7.903
ASSI ( resid 17 and name HB2 )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 1015 volume 0.000e+00 ppm1 2.935 ppm2 7.904
ASSI ( resid 17 and name HB3 )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 1017 volume 0.000e+00 ppm1 2.860 ppm2 7.905
ASSI ( resid 121 and name HA )
     ( resid 121 and name HN )
     6.0 0.1 0.1 peak 1022 volume 0.000e+00 ppm1 4.293 ppm2 8.376
ASSI ( resid 27 and name HA1 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 1025 volume 0.000e+00 ppm1 3.632 ppm2 8.427
ASSI ( resid 27 and name HA2 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 1026 volume 0.000e+00 ppm1 3.409 ppm2 8.427
ASSI ( resid 51 and name HA )
     ( resid 52 and name HN )
     6.0 0.1 0.1 peak 1032 volume 0.000e+00 ppm1 5.262 ppm2 9.134
ASSI ( resid 51 and name HB2 )
     ( resid 52 and name HN )
     6.0 0.1 0.1 peak 1033 volume 0.000e+00 ppm1 3.334 ppm2 9.134
ASSI ( resid 54 and name HB2 )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 1036 volume 0.000e+00 ppm1 3.006 ppm2 8.664
ASSI ( resid 54 and name HB3 )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 1037 volume 0.000e+00 ppm1 2.891 ppm2 8.664
ASSI ( resid 54 and name HA )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 1038 volume 0.000e+00 ppm1 4.777 ppm2 8.663
ASSI ( resid 55 and name HA )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 1041 volume 0.000e+00 ppm1 4.019 ppm2 8.281
ASSI ( resid 55 and name HB )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 1042 volume 0.000e+00 ppm1 2.193 ppm2 8.281
ASSI ( resid 70 and name HA )
     ( resid 71 and name HN )
     6.0 0.1 0.1 peak 1045 volume 0.000e+00 ppm1 4.592 ppm2 7.726
ASSI ( resid 70 and name hb# )
     ( resid 71 and name HN )
     6.0 0.1 0.1 peak 1046 volume 0.000e+00 ppm1 2.809 ppm2 7.726
ASSI ( resid 74 and name HA )
     ( resid 75 and name HN )
     6.0 0.1 0.1 peak 1051 volume 0.000e+00 ppm1 4.421 ppm2 9.146
ASSI ( resid 73 and name HA1 )
     ( resid 74 and name HN )
     6.0 0.1 0.1 peak 1054 volume 0.000e+00 ppm1 4.496 ppm2 8.751
ASSI ( resid 83 and name HA )
     ( resid 83 and name HB2 )
     6.0 0.1 0.1 peak 1060 volume 0.000e+00 ppm1 4.130 ppm2 2.197
ASSI ( resid 79 and name HA )
     ( resid 80 and name HN )
     6.0 0.1 0.1 peak 1061 volume 0.000e+00 ppm1 5.025 ppm2 7.816
ASSI ( resid 79 and name HB2 )
     ( resid 80 and name HN )
     6.0 0.1 0.1 peak 1062 volume 0.000e+00 ppm1 3.133 ppm2 7.816
ASSI ( resid 79 and name HB3 )
     ( resid 80 and name HN )
     6.0 0.1 0.1 peak 1063 volume 0.000e+00 ppm1 2.442 ppm2 7.818
ASSI ( resid 118 and name HA )
     ( resid 118 and name HN )
     6.0 0.1 0.1 peak 1067 volume 0.000e+00 ppm1 4.756 ppm2 8.011
ASSI ( resid 58 and name HA )
     ( resid 59 and name HB2 )
     6.0 0.1 0.1 peak 1070 volume 1.544e+03 ppm1 4.755 ppm2 2.698
ASSI ( resid 118 and name HB2 )
     ( resid 119 and name HN )
     6.0 0.1 0.1 peak 1074 volume 0.000e+00 ppm1 2.765 ppm2 8.391
ASSI ( resid 111 and name HA )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1079 volume 0.000e+00 ppm1 5.140 ppm2 9.827
ASSI ( resid 111 and name HB2 )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1080 volume 0.000e+00 ppm1 3.654 ppm2 9.827
ASSI ( resid 111 and name HB3 )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1081 volume 0.000e+00 ppm1 3.548 ppm2 9.827
ASSI ( resid 15 and name HA )
     ( resid 15 and name hd1# )
     6.0 0.1 0.1 peak 1090 volume 0.000e+00 ppm1 4.479 ppm2 0.798
ASSI ( resid 15 and name HB )
     ( resid 15 and name hd1# )
     6.0 0.1 0.1 peak 1092 volume 0.000e+00 ppm1 1.842 ppm2 0.798
ASSI ( resid 15 and name HG12 )
     ( resid 15 and name HG13 )
     6.0 0.1 0.1 peak 1093 volume 0.000e+00 ppm1 1.486 ppm2 1.154
ASSI ( resid 15 and name HG12 )
     ( resid 15 and name hd1# )
     6.0 0.1 0.1 peak 1094 volume 0.000e+00 ppm1 1.486 ppm2 0.798
ASSI ( resid 15 and name HG13 )
     ( resid 15 and name hd1# )
     6.0 0.1 0.1 peak 1095 volume 0.000e+00 ppm1 1.155 ppm2 0.798
ASSI ( resid 49 and name HB )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 1096 volume 1.496e+03 ppm1 1.585 ppm2 8.387
ASSI ( resid 97 and name HA )
     ( resid 97 and name HN )
     6.0 0.1 0.1 peak 1098 volume 0.000e+00 ppm1 4.434 ppm2 8.743
ASSI ( resid 50 and name HA )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 1099 volume 0.000e+00 ppm1 4.790 ppm2 9.271
ASSI ( resid 50 and name hb# )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 1100 volume 0.000e+00 ppm1 1.710 ppm2 9.271
ASSI ( resid 50 and name HG )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 1101 volume 0.000e+00 ppm1 1.482 ppm2 9.271
ASSI ( resid 16 and name HD2 )
     ( resid 16 and name hb# )
     6.0 0.1 0.1 peak 1107 volume 0.000e+00 ppm1 3.869 ppm2 2.113
ASSI ( resid 16 and name HD2 )
     ( resid 16 and name hg# )
     6.0 0.1 0.1 peak 1108 volume 0.000e+00 ppm1 3.867 ppm2 1.843
ASSI ( resid 16 and name HD3 )
     ( resid 16 and name hb# )
     6.0 0.1 0.1 peak 1109 volume 0.000e+00 ppm1 3.684 ppm2 2.113
ASSI ( resid 16 and name HD3 )
     ( resid 16 and name hg# )
     6.0 0.1 0.1 peak 1110 volume 0.000e+00 ppm1 3.687 ppm2 1.844
ASSI ( resid 16 and name hb# )
     ( resid 16 and name hg# )
     6.0 0.1 0.1 peak 1111 volume 0.000e+00 ppm1 2.113 ppm2 1.844
ASSI ( resid 16 and name HD2 )
     ( resid 16 and name HD3 )
     6.0 0.1 0.1 peak 1112 volume 0.000e+00 ppm1 3.870 ppm2 3.683
ASSI ( resid 21 and name HB3 )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 1113 volume 0.000e+00 ppm1 2.881 ppm2 7.137
ASSI ( resid 21 and name HB2 )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 1114 volume 0.000e+00 ppm1 3.260 ppm2 7.137
ASSI ( resid 21 and name HA )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 1115 volume 0.000e+00 ppm1 4.752 ppm2 7.137
ASSI ( resid 21 and name HB3 )
     ( resid 21 and name he# )
     6.0 0.1 0.1 peak 1116 volume 0.000e+00 ppm1 2.881 ppm2 6.806
ASSI ( resid 21 and name HB2 )
     ( resid 21 and name he# )
     6.0 0.1 0.1 peak 1117 volume 0.000e+00 ppm1 3.257 ppm2 6.807
ASSI ( resid 110 and name HB3 )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 1118 volume 0.000e+00 ppm1 2.560 ppm2 6.499
ASSI ( resid 110 and name HB3 )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 1119 volume 0.000e+00 ppm1 2.560 ppm2 6.311
ASSI ( resid 110 and name HB2 )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 1120 volume 0.000e+00 ppm1 3.014 ppm2 6.499
ASSI ( resid 110 and name HB2 )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 1121 volume 0.000e+00 ppm1 3.014 ppm2 6.312
ASSI ( resid 110 and name HA )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 1122 volume 0.000e+00 ppm1 5.461 ppm2 6.497
ASSI ( resid 110 and name HA )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 1123 volume 0.000e+00 ppm1 5.461 ppm2 6.313
ASSI ( resid 54 and name HB3 )
     ( resid 54 and name HD21 )
     6.0 0.1 0.1 peak 1127 volume 0.000e+00 ppm1 2.891 ppm2 7.455
ASSI ( resid 54 and name HB2 )
     ( resid 54 and name HD21 )
     6.0 0.1 0.1 peak 1128 volume 0.000e+00 ppm1 3.008 ppm2 7.455
ASSI ( resid 54 and name HB3 )
     ( resid 54 and name HD22 )
     6.0 0.1 0.1 peak 1129 volume 0.000e+00 ppm1 2.891 ppm2 7.002
ASSI ( resid 54 and name HB2 )
     ( resid 54 and name HD22 )
     6.0 0.1 0.1 peak 1130 volume 0.000e+00 ppm1 3.009 ppm2 7.002
ASSI ( resid 54 and name HA )
     ( resid 54 and name HD21 )
     6.0 0.1 0.1 peak 1131 volume 0.000e+00 ppm1 4.775 ppm2 7.455
ASSI ( resid 54 and name HA )
     ( resid 54 and name HD22 )
     6.0 0.1 0.1 peak 1132 volume 0.000e+00 ppm1 4.775 ppm2 7.002
ASSI ( resid 54 and name HD22 )
     ( resid 54 and name HD21 )
     6.0 0.1 0.1 peak 1133 volume 0.000e+00 ppm1 7.002 ppm2 7.455
ASSI ( resid 54 and name HD22 )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 1134 volume 0.000e+00 ppm1 7.004 ppm2 8.601
ASSI ( resid 54 and name HD21 )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 1135 volume 0.000e+00 ppm1 7.456 ppm2 8.601
ASSI ( resid 56 and name HD22 )
     ( resid 56 and name HD21 )
     6.0 0.1 0.1 peak 1136 volume 0.000e+00 ppm1 6.911 ppm2 7.705
ASSI ( resid 56 and name HD22 )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 1137 volume 0.000e+00 ppm1 6.911 ppm2 8.281
ASSI ( resid 56 and name HD21 )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 1138 volume 0.000e+00 ppm1 7.705 ppm2 8.280
ASSI ( resid 56 and name HA )
     ( resid 56 and name HD21 )
     6.0 0.1 0.1 peak 1139 volume 0.000e+00 ppm1 4.880 ppm2 7.705
ASSI ( resid 56 and name HA )
     ( resid 56 and name HD22 )
     6.0 0.1 0.1 peak 1140 volume 0.000e+00 ppm1 4.880 ppm2 6.909
ASSI ( resid 56 and name HB2 )
     ( resid 56 and name HD21 )
     6.0 0.1 0.1 peak 1141 volume 0.000e+00 ppm1 3.004 ppm2 7.705
ASSI ( resid 56 and name HB3 )
     ( resid 56 and name HD21 )
     6.0 0.1 0.1 peak 1142 volume 0.000e+00 ppm1 2.741 ppm2 7.705
ASSI ( resid 56 and name HB3 )
     ( resid 56 and name HD22 )
     6.0 0.1 0.1 peak 1143 volume 0.000e+00 ppm1 2.743 ppm2 6.909
ASSI ( resid 56 and name HB2 )
     ( resid 56 and name HD22 )
     6.0 0.1 0.1 peak 1144 volume 0.000e+00 ppm1 3.004 ppm2 6.909
ASSI ( resid 98 and name HA )
     ( resid 98 and name HD1 )
     6.0 0.1 0.1 peak 1149 volume 0.000e+00 ppm1 5.209 ppm2 6.721
ASSI ( resid 98 and name HB2 )
     ( resid 98 and name HD1 )
     6.0 0.1 0.1 peak 1152 volume 0.000e+00 ppm1 2.975 ppm2 6.721
ASSI ( resid 98 and name HB3 )
     ( resid 98 and name HD1 )
     6.0 0.1 0.1 peak 1153 volume 0.000e+00 ppm1 2.840 ppm2 6.723
ASSI ( resid 102 and name HB3 )
     ( resid 102 and name HD21 )
     6.0 0.1 0.1 peak 1158 volume 0.000e+00 ppm1 2.424 ppm2 7.083
ASSI ( resid 102 and name HB2 )
     ( resid 102 and name HD21 )
     6.0 0.1 0.1 peak 1159 volume 0.000e+00 ppm1 3.314 ppm2 7.083
ASSI ( resid 102 and name HB2 )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 1160 volume 0.000e+00 ppm1 3.311 ppm2 6.571
ASSI ( resid 102 and name HB3 )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 1161 volume 0.000e+00 ppm1 2.422 ppm2 6.572
ASSI ( resid 102 and name HA )
     ( resid 102 and name HD21 )
     6.0 0.1 0.1 peak 1162 volume 0.000e+00 ppm1 4.983 ppm2 7.083
ASSI ( resid 102 and name HA )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 1163 volume 0.000e+00 ppm1 4.983 ppm2 6.573
ASSI ( resid 102 and name HD22 )
     ( resid 102 and name HN )
     6.0 0.1 0.1 peak 1166 volume 0.000e+00 ppm1 6.570 ppm2 8.839
ASSI ( resid 102 and name HD21 )
     ( resid 102 and name HN )
     6.0 0.1 0.1 peak 1167 volume 0.000e+00 ppm1 7.083 ppm2 8.839
ASSI ( resid 100 and name HN )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 1169 volume 0.000e+00 ppm1 9.382 ppm2 9.979
ASSI ( resid 61 and name HN )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 1170 volume 0.000e+00 ppm1 9.067 ppm2 9.904
ASSI ( resid 63 and name HN )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 1173 volume 0.000e+00 ppm1 8.747 ppm2 9.904
ASSI ( resid 111 and name HN )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1174 volume 0.000e+00 ppm1 8.651 ppm2 9.824
ASSI ( resid 26 and name HN )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 1175 volume 0.000e+00 ppm1 8.748 ppm2 9.254
ASSI ( resid 22 and name HN )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1180 volume 0.000e+00 ppm1 8.602 ppm2 9.579
ASSI ( resid 113 and name HN )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1181 volume 0.000e+00 ppm1 8.496 ppm2 9.830
ASSI ( resid 113 and name HN )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 1182 volume 0.000e+00 ppm1 8.498 ppm2 9.303
ASSI ( resid 24 and name HN )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 1183 volume 0.000e+00 ppm1 8.397 ppm2 9.257
ASSI ( resid 27 and name HN )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 1185 volume 0.000e+00 ppm1 8.536 ppm2 8.748
ASSI ( resid 106 and name HN )
     ( resid 107 and name HN )
     6.0 0.1 0.1 peak 1187 volume 0.000e+00 ppm1 8.453 ppm2 8.661
ASSI ( resid 106 and name HN )
     ( resid 105 and name HN )
     6.0 0.1 0.1 peak 1188 volume 0.000e+00 ppm1 8.455 ppm2 8.560
ASSI ( resid 56 and name HN )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 1190 volume 2.594e+03 ppm1 8.285 ppm2 8.661
ASSI ( resid 29 and name HN )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 1191 volume 0.000e+00 ppm1 8.214 ppm2 8.430
ASSI ( resid 30 and name HN )
     ( resid 31 and name HN )
     6.0 0.1 0.1 peak 1193 volume 0.000e+00 ppm1 8.095 ppm2 8.864
ASSI ( resid 20 and name HN )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 1194 volume 0.000e+00 ppm1 8.118 ppm2 9.140
ASSI ( resid 20 and name HN )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1195 volume 0.000e+00 ppm1 8.118 ppm2 9.578
ASSI ( resid 77 and name HN )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 1196 volume 0.000e+00 ppm1 8.246 ppm2 9.781
ASSI ( resid 79 and name HN )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 1197 volume 0.000e+00 ppm1 8.034 ppm2 9.781
ASSI ( resid 18 and name HN )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 1198 volume 0.000e+00 ppm1 7.905 ppm2 9.144
ASSI ( resid 104 and name HN )
     ( resid 103 and name HN )
     6.0 0.1 0.1 peak 1199 volume 0.000e+00 ppm1 7.918 ppm2 9.067
ASSI ( resid 104 and name HN )
     ( resid 105 and name HN )
     6.0 0.1 0.1 peak 1200 volume 0.000e+00 ppm1 7.918 ppm2 8.557
ASSI ( resid 18 and name HN )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 1201 volume 0.000e+00 ppm1 7.905 ppm2 8.459
ASSI ( resid 30 and name HN )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 1205 volume 0.000e+00 ppm1 8.095 ppm2 8.215
ASSI ( resid 71 and name HN )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 1206 volume 0.000e+00 ppm1 7.725 ppm2 8.165
ASSI ( resid 80 and name HN )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 1207 volume 9.160e+02 ppm1 7.819 ppm2 8.033
ASSI ( resid 71 and name HN )
     ( resid 70 and name HN )
     6.0 0.1 0.1 peak 1208 volume 0.000e+00 ppm1 7.731 ppm2 7.931
ASSI ( resid 21 and name hd# )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1209 volume 0.000e+00 ppm1 7.135 ppm2 9.577
ASSI ( resid 82 and name HN )
     ( resid 81 and name HN )
     6.0 0.1 0.1 peak 1210 volume 0.000e+00 ppm1 7.620 ppm2 9.076
ASSI ( resid 76 and name HN )
     ( resid 75 and name HN )
     6.0 0.1 0.1 peak 1211 volume 0.000e+00 ppm1 7.463 ppm2 9.151
ASSI ( resid 57 and name HN )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 1212 volume 0.000e+00 ppm1 7.332 ppm2 9.086
ASSI ( resid 59 and name HN )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 1213 volume 0.000e+00 ppm1 7.265 ppm2 9.076
ASSI ( resid 59 and name HN )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 1214 volume 0.000e+00 ppm1 7.265 ppm2 8.842
ASSI ( resid 76 and name HN )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 1215 volume 0.000e+00 ppm1 7.465 ppm2 8.246
ASSI ( resid 57 and name HN )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 1216 volume 4.720e+03 ppm1 7.332 ppm2 8.282
ASSI ( resid 98 and name HD1 )
     ( resid 98 and name HN )
     6.0 0.1 0.1 peak 1217 volume 0.000e+00 ppm1 6.722 ppm2 9.208
ASSI ( resid 23 and name HN )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 1218 volume 0.000e+00 ppm1 7.048 ppm2 8.604
ASSI ( resid 23 and name HN )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 1219 volume 0.000e+00 ppm1 7.046 ppm2 8.395
ASSI ( resid 110 and name hd# )
     ( resid 110 and name HN )
     6.0 0.1 0.1 peak 1220 volume 0.000e+00 ppm1 6.505 ppm2 8.642
ASSI ( resid 110 and name he# )
     ( resid 110 and name HN )
     6.0 0.1 0.1 peak 1221 volume 0.000e+00 ppm1 6.317 ppm2 8.642
ASSI ( resid 102 and name HD22 )
     ( resid 102 and name HD21 )
     6.0 0.1 0.1 peak 1223 volume 0.000e+00 ppm1 6.572 ppm2 7.084
ASSI ( resid 110 and name he# )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 1224 volume 0.000e+00 ppm1 6.317 ppm2 6.507
ASSI ( resid 103 and name HB2 )
     ( resid 103 and name HD21 )
     6.0 0.1 0.1 peak 1226 volume 0.000e+00 ppm1 2.735 ppm2 7.104
ASSI ( resid 103 and name HB3 )
     ( resid 103 and name HD21 )
     6.0 0.1 0.1 peak 1227 volume 0.000e+00 ppm1 2.298 ppm2 7.104
ASSI ( resid 103 and name HA )
     ( resid 103 and name HD21 )
     6.0 0.1 0.1 peak 1228 volume 0.000e+00 ppm1 4.655 ppm2 7.104
ASSI ( resid 103 and name HD21 )
     ( resid 103 and name HN )
     6.0 0.1 0.1 peak 1229 volume 0.000e+00 ppm1 7.106 ppm2 9.067
ASSI ( resid 98 and name HN )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 1230 volume 0.000e+00 ppm1 9.210 ppm2 9.979
ASSI ( resid 109 and name HB3 )
     ( resid 109 and name HD21 )
     6.0 0.1 0.1 peak 1231 volume 0.000e+00 ppm1 2.607 ppm2 7.523
ASSI ( resid 109 and name HB2 )
     ( resid 109 and name HD21 )
     6.0 0.1 0.1 peak 1232 volume 0.000e+00 ppm1 2.839 ppm2 7.523
ASSI ( resid 109 and name HB2 )
     ( resid 109 and name HD22 )
     6.0 0.1 0.1 peak 1233 volume 0.000e+00 ppm1 2.840 ppm2 6.607
ASSI ( resid 109 and name HB3 )
     ( resid 109 and name HD22 )
     6.0 0.1 0.1 peak 1234 volume 0.000e+00 ppm1 2.607 ppm2 6.607
ASSI ( resid 109 and name HA )
     ( resid 109 and name HD21 )
     6.0 0.1 0.1 peak 1235 volume 0.000e+00 ppm1 5.288 ppm2 7.524
ASSI ( resid 109 and name HA )
     ( resid 109 and name HD22 )
     6.0 0.1 0.1 peak 1236 volume 0.000e+00 ppm1 5.286 ppm2 6.608
ASSI ( resid 109 and name HD22 )
     ( resid 109 and name HD21 )
     6.0 0.1 0.1 peak 1237 volume 0.000e+00 ppm1 6.609 ppm2 7.523
ASSI ( resid 109 and name HD22 )
     ( resid 109 and name HN )
     6.0 0.1 0.1 peak 1238 volume 0.000e+00 ppm1 6.606 ppm2 8.623
ASSI ( resid 109 and name HD21 )
     ( resid 109 and name HN )
     6.0 0.1 0.1 peak 1239 volume 0.000e+00 ppm1 7.526 ppm2 8.622
ASSI ( resid 109 and name HA )
     ( resid 110 and name HN )
     6.0 0.1 0.1 peak 1248 volume 0.000e+00 ppm1 5.286 ppm2 8.639
ASSI ( resid 109 and name HB2 )
     ( resid 110 and name HN )
     6.0 0.1 0.1 peak 1249 volume 0.000e+00 ppm1 2.841 ppm2 8.639
ASSI ( resid 109 and name HB3 )
     ( resid 110 and name HN )
     6.0 0.1 0.1 peak 1250 volume 0.000e+00 ppm1 2.605 ppm2 8.638
ASSI ( resid 110 and name HA )
     ( resid 111 and name HN )
     6.0 0.1 0.1 peak 1251 volume 0.000e+00 ppm1 5.468 ppm2 8.650
ASSI ( resid 110 and name HB2 )
     ( resid 111 and name HN )
     6.0 0.1 0.1 peak 1252 volume 0.000e+00 ppm1 3.016 ppm2 8.650
ASSI ( resid 110 and name HB3 )
     ( resid 111 and name HN )
     6.0 0.1 0.1 peak 1253 volume 0.000e+00 ppm1 2.562 ppm2 8.650
ASSI ( resid 86 and name hd# )
     ( resid 86 and name HN )
     6.0 0.1 0.1 peak 1255 volume 0.000e+00 ppm1 6.841 ppm2 8.865
ASSI ( resid 86 and name HA )
     ( resid 86 and name hd# )
     6.0 0.1 0.1 peak 1256 volume 0.000e+00 ppm1 4.654 ppm2 6.840
ASSI ( resid 86 and name HB2 )
     ( resid 86 and name hd# )
     6.0 0.1 0.1 peak 1257 volume 0.000e+00 ppm1 2.644 ppm2 6.841
ASSI ( resid 86 and name HB3 )
     ( resid 86 and name hd# )
     6.0 0.1 0.1 peak 1258 volume 0.000e+00 ppm1 2.328 ppm2 6.841
ASSI ( resid 85 and name HA )
     ( resid 86 and name HN )
     6.0 0.1 0.1 peak 1259 volume 0.000e+00 ppm1 5.438 ppm2 8.867
ASSI ( resid 130 and name HD2 )
     ( resid 130 and name HG2 )
     6.0 0.1 0.1 peak 1269 volume 0.000e+00 ppm1 3.870 ppm2 1.995
ASSI ( resid 130 and name HD2 )
     ( resid 130 and name HG3 )
     6.0 0.1 0.1 peak 1270 volume 0.000e+00 ppm1 3.872 ppm2 1.919
ASSI ( resid 130 and name HD3 )
     ( resid 130 and name HG2 )
     6.0 0.1 0.1 peak 1272 volume 0.000e+00 ppm1 3.685 ppm2 1.995
ASSI ( resid 130 and name HD3 )
     ( resid 130 and name HG3 )
     6.0 0.1 0.1 peak 1273 volume 0.000e+00 ppm1 3.685 ppm2 1.918
ASSI ( resid 83 and name HA )
     ( resid 83 and name HD3 )
     6.0 0.1 0.1 peak 1277 volume 0.000e+00 ppm1 4.130 ppm2 3.767
ASSI ( resid 83 and name HD2 )
     ( resid 83 and name HD3 )
     6.0 0.1 0.1 peak 1278 volume 0.000e+00 ppm1 3.992 ppm2 3.767
ASSI ( resid 83 and name HA )
     ( resid 83 and name HB3 )
     6.0 0.1 0.1 peak 1279 volume 0.000e+00 ppm1 4.130 ppm2 2.029
ASSI ( resid 83 and name HA )
     ( resid 83 and name HG2 )
     6.0 0.1 0.1 peak 1280 volume 0.000e+00 ppm1 4.130 ppm2 1.915
ASSI ( resid 83 and name HA )
     ( resid 83 and name HG3 )
     6.0 0.1 0.1 peak 1281 volume 0.000e+00 ppm1 4.130 ppm2 1.719
ASSI ( resid 83 and name HD2 )
     ( resid 83 and name HB2 )
     6.0 0.1 0.1 peak 1282 volume 0.000e+00 ppm1 3.992 ppm2 2.197
ASSI ( resid 83 and name HD3 )
     ( resid 83 and name HB2 )
     6.0 0.1 0.1 peak 1283 volume 0.000e+00 ppm1 3.767 ppm2 2.196
ASSI ( resid 83 and name HD2 )
     ( resid 83 and name HB3 )
     6.0 0.1 0.1 peak 1284 volume 0.000e+00 ppm1 3.992 ppm2 2.029
ASSI ( resid 83 and name HD3 )
     ( resid 83 and name HB3 )
     6.0 0.1 0.1 peak 1285 volume 0.000e+00 ppm1 3.767 ppm2 2.027
ASSI ( resid 83 and name HD2 )
     ( resid 83 and name HG2 )
     6.0 0.1 0.1 peak 1289 volume 0.000e+00 ppm1 3.992 ppm2 1.915
ASSI ( resid 83 and name HD2 )
     ( resid 83 and name HG3 )
     6.0 0.1 0.1 peak 1290 volume 0.000e+00 ppm1 3.992 ppm2 1.719
ASSI ( resid 83 and name HD3 )
     ( resid 83 and name HG3 )
     6.0 0.1 0.1 peak 1291 volume 0.000e+00 ppm1 3.767 ppm2 1.719
ASSI ( resid 83 and name HD3 )
     ( resid 83 and name HG2 )
     6.0 0.1 0.1 peak 1292 volume 0.000e+00 ppm1 3.767 ppm2 1.915
ASSI ( resid 83 and name HB2 )
     ( resid 83 and name HG2 )
     6.0 0.1 0.1 peak 1293 volume 0.000e+00 ppm1 2.196 ppm2 1.915
ASSI ( resid 83 and name HB2 )
     ( resid 83 and name HG3 )
     6.0 0.1 0.1 peak 1294 volume 0.000e+00 ppm1 2.196 ppm2 1.723
ASSI ( resid 83 and name HB3 )
     ( resid 83 and name HG2 )
     6.0 0.1 0.1 peak 1295 volume 0.000e+00 ppm1 2.029 ppm2 1.915
ASSI ( resid 83 and name HB3 )
     ( resid 83 and name HG3 )
     6.0 0.1 0.1 peak 1296 volume 0.000e+00 ppm1 2.029 ppm2 1.724
ASSI ( resid 16 and name HA )
     ( resid 16 and name HD2 )
     6.0 0.1 0.1 peak 1297 volume 0.000e+00 ppm1 4.418 ppm2 3.876
ASSI ( resid 16 and name HA )
     ( resid 16 and name HD3 )
     6.0 0.1 0.1 peak 1298 volume 0.000e+00 ppm1 4.418 ppm2 3.683
ASSI ( resid 16 and name HA )
     ( resid 16 and name hb# )
     6.0 0.1 0.1 peak 1300 volume 0.000e+00 ppm1 4.416 ppm2 2.115
ASSI ( resid 16 and name HA )
     ( resid 16 and name hg# )
     6.0 0.1 0.1 peak 1301 volume 0.000e+00 ppm1 4.416 ppm2 1.844
ASSI ( resid 82 and name HA )
     ( resid 83 and name HD3 )
     6.0 0.1 0.1 peak 1304 volume 0.000e+00 ppm1 4.977 ppm2 3.768
ASSI ( resid 82 and name HA )
     ( resid 83 and name HD2 )
     6.0 0.1 0.1 peak 1305 volume 0.000e+00 ppm1 4.977 ppm2 3.995
ASSI ( resid 83 and name HA )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 1306 volume 0.000e+00 ppm1 4.128 ppm2 9.297
ASSI ( resid 83 and name HB3 )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 1307 volume 0.000e+00 ppm1 2.030 ppm2 9.298
ASSI ( resid 83 and name HG2 )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 1308 volume 0.000e+00 ppm1 1.918 ppm2 9.298
ASSI ( resid 83 and name HG3 )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 1309 volume 0.000e+00 ppm1 1.726 ppm2 9.298
ASSI ( resid 16 and name HA )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 1310 volume 0.000e+00 ppm1 4.430 ppm2 8.463
ASSI ( resid 124 and name HA )
     ( resid 124 and name HN )
     6.0 0.1 0.1 peak 1313 volume 0.000e+00 ppm1 4.511 ppm2 8.140
ASSI ( resid 124 and name hb# )
     ( resid 124 and name HN )
     6.0 0.1 0.1 peak 1315 volume 0.000e+00 ppm1 3.022 ppm2 8.141
ASSI ( resid 77 and name HB3 )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 1324 volume 0.000e+00 ppm1 1.991 ppm2 8.246
ASSI ( resid 77 and name HA )
     ( resid 77 and name HB3 )
     6.0 0.1 0.1 peak 1326 volume 0.000e+00 ppm1 5.679 ppm2 1.989
ASSI ( resid 53 and name HN )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 1328 volume 3.305e+03 ppm1 8.143 ppm2 8.599
ASSI ( resid 53 and name HA )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 1329 volume 0.000e+00 ppm1 4.247 ppm2 8.601
ASSI ( resid 65 and name HA )
     ( resid 65 and name HB2 )
     6.0 0.1 0.1 peak 1332 volume 0.000e+00 ppm1 4.985 ppm2 1.659
ASSI ( resid 65 and name HA )
     ( resid 65 and name HB3 )
     6.0 0.1 0.1 peak 1333 volume 0.000e+00 ppm1 4.985 ppm2 1.463
ASSI ( resid 64 and name HB2 )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 1334 volume 0.000e+00 ppm1 1.914 ppm2 8.934
ASSI ( resid 63 and name HA )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1335 volume 0.000e+00 ppm1 4.959 ppm2 9.503
ASSI ( resid 64 and name HA )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 1337 volume 0.000e+00 ppm1 5.274 ppm2 8.934
ASSI ( resid 47 and name HA )
     ( resid 47 and name HB2 )
     6.0 0.1 0.1 peak 1338 volume 0.000e+00 ppm1 5.589 ppm2 2.923
ASSI ( resid 47 and name HA )
     ( resid 47 and name HB3 )
     6.0 0.1 0.1 peak 1339 volume 0.000e+00 ppm1 5.589 ppm2 2.857
ASSI ( resid 47 and name HA )
     ( resid 47 and name HN )
     6.0 0.1 0.1 peak 1340 volume 0.000e+00 ppm1 5.587 ppm2 8.427
ASSI ( resid 47 and name HA )
     ( resid 48 and name HN )
     6.0 0.1 0.1 peak 1341 volume 0.000e+00 ppm1 5.590 ppm2 8.014
ASSI ( resid 80 and name HA )
     ( resid 80 and name HB )
     6.0 0.1 0.1 peak 1342 volume 0.000e+00 ppm1 3.588 ppm2 1.763
ASSI ( resid 80 and name HA )
     ( resid 80 and name hg1# )
     6.0 0.1 0.1 peak 1343 volume 0.000e+00 ppm1 3.589 ppm2 1.060
ASSI ( resid 80 and name HA )
     ( resid 80 and name hg2# )
     6.0 0.1 0.1 peak 1344 volume 0.000e+00 ppm1 3.588 ppm2 0.886
ASSI ( resid 80 and name HB )
     ( resid 80 and name hg1# )
     6.0 0.1 0.1 peak 1345 volume 0.000e+00 ppm1 1.766 ppm2 1.060
ASSI ( resid 80 and name hg1# )
     ( resid 80 and name hg2# )
     6.0 0.1 0.1 peak 1346 volume 0.000e+00 ppm1 1.059 ppm2 0.888
ASSI ( resid 75 and name HA )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 1358 volume 0.000e+00 ppm1 4.559 ppm2 7.463
ASSI ( resid 124 and name HA )
     ( resid 125 and name HN )
     6.0 0.1 0.1 peak 1374 volume 0.000e+00 ppm1 4.515 ppm2 7.374
ASSI ( resid 125 and name HN )
     ( resid 124 and name HN )
     6.0 0.1 0.1 peak 1375 volume 0.000e+00 ppm1 7.378 ppm2 8.142
ASSI ( resid 18 and name HA )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 1376 volume 0.000e+00 ppm1 4.613 ppm2 9.143
ASSI ( resid 47 and name HB3 )
     ( resid 47 and name hd# )
     6.0 0.1 0.1 peak 1377 volume 0.000e+00 ppm1 2.858 ppm2 6.836
ASSI ( resid 47 and name HB2 )
     ( resid 47 and name hd# )
     6.0 0.1 0.1 peak 1378 volume 0.000e+00 ppm1 2.921 ppm2 6.836
ASSI ( resid 47 and name HB2 )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 1379 volume 0.000e+00 ppm1 2.921 ppm2 6.567
ASSI ( resid 47 and name HB3 )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 1380 volume 0.000e+00 ppm1 2.856 ppm2 6.567
ASSI ( resid 47 and name HA )
     ( resid 47 and name hd# )
     6.0 0.1 0.1 peak 1381 volume 0.000e+00 ppm1 5.589 ppm2 6.837
ASSI ( resid 47 and name HA )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 1382 volume 0.000e+00 ppm1 5.589 ppm2 6.567
ASSI ( resid 47 and name he# )
     ( resid 47 and name hd# )
     6.0 0.1 0.1 peak 1383 volume 0.000e+00 ppm1 6.568 ppm2 6.836
ASSI ( resid 102 and name HD22 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 1384 volume 9.500e+02 ppm1 6.573 ppm2 8.428
ASSI ( resid 49 and name HA )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 1385 volume 0.000e+00 ppm1 3.779 ppm2 8.389
ASSI ( resid 51 and name HA )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 1386 volume 0.000e+00 ppm1 5.259 ppm2 7.288
ASSI ( resid 51 and name HB2 )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 1387 volume 0.000e+00 ppm1 3.334 ppm2 7.289
ASSI ( resid 51 and name HB3 )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 1388 volume 0.000e+00 ppm1 3.088 ppm2 7.288
ASSI ( resid 51 and name HD2 )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 1389 volume 0.000e+00 ppm1 7.292 ppm2 9.272
ASSI ( resid 64 and name hd1# )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1391 volume 0.000e+00 ppm1 0.661 ppm2 9.505
ASSI ( resid 64 and name hd2# )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1392 volume 0.000e+00 ppm1 0.548 ppm2 9.506
ASSI ( resid 80 and name HN )
     ( resid 81 and name HN )
     6.0 0.1 0.1 peak 1393 volume 0.000e+00 ppm1 7.818 ppm2 9.071
ASSI ( resid 84 and name HA )
     ( resid 85 and name HN )
     6.0 0.1 0.1 peak 1396 volume 0.000e+00 ppm1 4.497 ppm2 8.195
ASSI ( resid 85 and name HN )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 1397 volume 0.000e+00 ppm1 8.189 ppm2 9.295
ASSI ( resid 112 and name HA )
     ( resid 112 and name hd1# )
     6.0 0.1 0.1 peak 1400 volume 0.000e+00 ppm1 5.112 ppm2 0.493
ASSI ( resid 112 and name HA )
     ( resid 112 and name hd2# )
     6.0 0.1 0.1 peak 1401 volume 0.000e+00 ppm1 5.112 ppm2 0.444
ASSI ( resid 112 and name HB2 )
     ( resid 112 and name hd1# )
     6.0 0.1 0.1 peak 1403 volume 0.000e+00 ppm1 2.112 ppm2 0.493
ASSI ( resid 112 and name HB2 )
     ( resid 112 and name hd2# )
     6.0 0.1 0.1 peak 1404 volume 0.000e+00 ppm1 2.112 ppm2 0.444
ASSI ( resid 63 and name hd2# )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 1405 volume 0.000e+00 ppm1 -0.188 ppm2 8.744
ASSI ( resid 63 and name hd1# )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 1406 volume 0.000e+00 ppm1 0.264 ppm2 8.746
ASSI ( resid 26 and name HG2 )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 1407 volume 0.000e+00 ppm1 2.169 ppm2 8.747
ASSI ( resid 26 and name HA )
     ( resid 26 and name HG2 )
     6.0 0.1 0.1 peak 1408 volume 0.000e+00 ppm1 4.400 ppm2 2.156
ASSI ( resid 26 and name hb# )
     ( resid 26 and name HG2 )
     6.0 0.1 0.1 peak 1409 volume 0.000e+00 ppm1 2.474 ppm2 2.156
ASSI ( resid 26 and name HA )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 1410 volume 0.000e+00 ppm1 4.400 ppm2 8.535
ASSI ( resid 52 and name HA )
     ( resid 53 and name HN )
     6.0 0.1 0.1 peak 1412 volume 0.000e+00 ppm1 4.766 ppm2 8.146
ASSI ( resid 52 and name HA )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 1414 volume 0.000e+00 ppm1 4.772 ppm2 9.270
ASSI ( resid 72 and name HD1 )
     ( resid 72 and name HE1 )
     6.0 0.1 0.1 peak 1415 volume 0.000e+00 ppm1 7.235 ppm2 10.291
ASSI ( resid 72 and name HB2 )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 1416 volume 0.000e+00 ppm1 2.909 ppm2 7.234
ASSI ( resid 72 and name HB3 )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 1417 volume 0.000e+00 ppm1 2.831 ppm2 7.234
ASSI ( resid 98 and name HD1 )
     ( resid 98 and name HE1 )
     6.0 0.1 0.1 peak 1419 volume 0.000e+00 ppm1 6.727 ppm2 10.600
ASSI ( resid 51 and name HD2 )
     ( resid 51 and name HE1 )
     6.0 0.1 0.1 peak 1422 volume 0.000e+00 ppm1 7.290 ppm2 8.614
ASSI ( resid 21 and name HA )
     ( resid 21 and name he# )
     6.0 0.1 0.1 peak 1427 volume 0.000e+00 ppm1 4.753 ppm2 6.807
ASSI ( resid 72 and name HD1 )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 1435 volume 0.000e+00 ppm1 7.241 ppm2 8.166
ASSI ( resid 70 and name HD22 )
     ( resid 70 and name HD21 )
     6.0 0.1 0.1 peak 1436 volume 0.000e+00 ppm1 6.832 ppm2 7.420
ASSI ( resid 70 and name HA )
     ( resid 70 and name HD21 )
     6.0 0.1 0.1 peak 1437 volume 0.000e+00 ppm1 4.588 ppm2 7.420
ASSI ( resid 70 and name HA )
     ( resid 70 and name HD22 )
     6.0 0.1 0.1 peak 1438 volume 0.000e+00 ppm1 4.588 ppm2 6.832
ASSI ( resid 70 and name hb# )
     ( resid 70 and name HD21 )
     6.0 0.1 0.1 peak 1439 volume 0.000e+00 ppm1 2.812 ppm2 7.421
ASSI ( resid 70 and name hb# )
     ( resid 70 and name HD22 )
     6.0 0.1 0.1 peak 1440 volume 0.000e+00 ppm1 2.812 ppm2 6.832
ASSI ( resid 72 and name HZ2 )
     ( resid 72 and name HE1 )
     6.0 0.1 0.1 peak 1443 volume 0.000e+00 ppm1 7.443 ppm2 10.291
ASSI ( resid 98 and name HZ2 )
     ( resid 98 and name HE1 )
     6.0 0.1 0.1 peak 1444 volume 0.000e+00 ppm1 7.194 ppm2 10.602
ASSI ( attr store1 < 2.188 and attr store1 > 2.148 )
     ( attr store1 < 7.485 and attr store1 > 7.445 )
     6.0 0.1 0.1 peak 1451 volume 2.933e+03 ppm1 2.168 ppm2 7.465
ASSI ( resid 78 and name HB3 )
     ( resid 78 and name HD21 )
     6.0 0.1 0.1 peak 1452 volume 0.000e+00 ppm1 2.432 ppm2 6.654
ASSI ( resid 78 and name HB2 )
     ( resid 78 and name HD21 )
     6.0 0.1 0.1 peak 1453 volume 0.000e+00 ppm1 3.131 ppm2 6.654
ASSI ( resid 78 and name HB2 )
     ( resid 78 and name HD22 )
     6.0 0.1 0.1 peak 1454 volume 0.000e+00 ppm1 3.135 ppm2 6.607
ASSI ( resid 78 and name HB3 )
     ( resid 78 and name HD22 )
     6.0 0.1 0.1 peak 1455 volume 0.000e+00 ppm1 2.435 ppm2 6.604
ASSI ( resid 78 and name HA )
     ( resid 78 and name HD21 )
     6.0 0.1 0.1 peak 1456 volume 0.000e+00 ppm1 5.034 ppm2 6.654
ASSI ( resid 78 and name HA )
     ( resid 78 and name HD22 )
     6.0 0.1 0.1 peak 1457 volume 0.000e+00 ppm1 5.036 ppm2 6.607
ASSI ( resid 98 and name HZ2 )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 1462 volume 0.000e+00 ppm1 7.190 ppm2 7.268
ASSI ( resid 89 and name HB3 )
     ( resid 89 and name hd# )
     6.0 0.1 0.1 peak 1470 volume 0.000e+00 ppm1 2.523 ppm2 6.968
ASSI ( resid 89 and name HB2 )
     ( resid 89 and name hd# )
     6.0 0.1 0.1 peak 1471 volume 0.000e+00 ppm1 2.905 ppm2 6.968
ASSI ( resid 89 and name HB3 )
     ( resid 89 and name he# )
     6.0 0.1 0.1 peak 1473 volume 0.000e+00 ppm1 2.523 ppm2 6.728
ASSI ( resid 89 and name HA )
     ( resid 89 and name hd# )
     6.0 0.1 0.1 peak 1474 volume 0.000e+00 ppm1 4.364 ppm2 6.967
ASSI ( resid 89 and name HA )
     ( resid 89 and name he# )
     6.0 0.1 0.1 peak 1475 volume 0.000e+00 ppm1 4.364 ppm2 6.728
ASSI ( resid 89 and name he# )
     ( resid 89 and name hd# )
     6.0 0.1 0.1 peak 1476 volume 0.000e+00 ppm1 6.733 ppm2 6.967
ASSI ( resid 96 and name HE3 )
     ( resid 96 and name HZ2 )
     6.0 0.1 0.1 peak 1478 volume 0.000e+00 ppm1 7.319 ppm2 7.421
ASSI ( resid 96 and name HH2 )
     ( resid 96 and name HZ2 )
     6.0 0.1 0.1 peak 1479 volume 0.000e+00 ppm1 7.037 ppm2 7.421
ASSI ( resid 96 and name HH2 )
     ( resid 96 and name HE3 )
     6.0 0.1 0.1 peak 1481 volume 0.000e+00 ppm1 7.036 ppm2 7.320
ASSI ( resid 98 and name HZ3 )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 1484 volume 0.000e+00 ppm1 6.837 ppm2 7.270
ASSI ( resid 98 and name HH2 )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 1485 volume 0.000e+00 ppm1 6.659 ppm2 7.270
ASSI ( resid 98 and name HZ3 )
     ( resid 98 and name HZ2 )
     6.0 0.1 0.1 peak 1486 volume 0.000e+00 ppm1 6.837 ppm2 7.192
ASSI ( resid 98 and name HH2 )
     ( resid 98 and name HZ2 )
     6.0 0.1 0.1 peak 1487 volume 0.000e+00 ppm1 6.659 ppm2 7.192
ASSI ( resid 98 and name HH2 )
     ( resid 98 and name HZ3 )
     6.0 0.1 0.1 peak 1488 volume 0.000e+00 ppm1 6.659 ppm2 6.839
ASSI ( resid 72 and name HH2 )
     ( resid 72 and name HZ2 )
     6.0 0.1 0.1 peak 1493 volume 0.000e+00 ppm1 6.949 ppm2 7.445
ASSI ( resid 90 and name HB3 )
     ( resid 90 and name hd# )
     6.0 0.1 0.1 peak 1498 volume 0.000e+00 ppm1 2.968 ppm2 7.196
ASSI ( resid 90 and name HB2 )
     ( resid 90 and name hd# )
     6.0 0.1 0.1 peak 1499 volume 0.000e+00 ppm1 3.167 ppm2 7.197
ASSI ( resid 90 and name HB2 )
     ( resid 90 and name he# )
     6.0 0.1 0.1 peak 1501 volume 0.000e+00 ppm1 3.166 ppm2 6.868
ASSI ( resid 90 and name HA )
     ( resid 90 and name hd# )
     6.0 0.1 0.1 peak 1503 volume 0.000e+00 ppm1 4.665 ppm2 7.197
ASSI ( resid 97 and name hg2# )
     ( resid 72 and name HE1 )
     6.0 0.1 0.1 peak 1505 volume 3.300e+02 ppm1 -0.525 ppm2 10.289
ASSI ( resid 63 and name hd2# )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 1506 volume 4.043e+03 ppm1 -0.189 ppm2 9.980
ASSI ( resid 97 and name HA )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 1507 volume 0.000e+00 ppm1 4.418 ppm2 -0.531
ASSI ( resid 97 and name hd1# )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 1508 volume 0.000e+00 ppm1 1.016 ppm2 -0.535
ASSI ( resid 97 and name hg1# )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 1509 volume 0.000e+00 ppm1 0.415 ppm2 -0.535
ASSI ( resid 59 and name HB3 )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 1514 volume 0.000e+00 ppm1 2.511 ppm2 8.843
ASSI ( resid 59 and name HB2 )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 1515 volume 0.000e+00 ppm1 2.704 ppm2 8.842
ASSI ( resid 97 and name hg2# )
     ( resid 97 and name HN )
     6.0 0.1 0.1 peak 1516 volume 0.000e+00 ppm1 -0.528 ppm2 8.740
ASSI ( resid 112 and name hd1# )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1518 volume 0.000e+00 ppm1 0.500 ppm2 9.826
ASSI ( resid 112 and name hd2# )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1519 volume 0.000e+00 ppm1 0.446 ppm2 9.826
ASSI ( resid 48 and name hb# )
     ( resid 98 and name HE1 )
     6.0 0.1 0.1 peak 1522 volume 2.114e+03 ppm1 -0.036 ppm2 10.596
ASSI ( resid 100 and name hd1# )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1527 volume 8.290e+02 ppm1 0.126 ppm2 9.827
ASSI ( resid 63 and name hd1# )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1528 volume 1.554e+03 ppm1 0.268 ppm2 9.503
ASSI ( resid 63 and name hd2# )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1529 volume 4.473e+04 ppm1 -0.189 ppm2 9.503
ASSI ( resid 48 and name hb# )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 1530 volume 1.551e+03 ppm1 -0.035 ppm2 9.301
ASSI ( resid 46 and name HG )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 1533 volume 0.000e+00 ppm1 0.847 ppm2 9.162
ASSI ( resid 46 and name hd1# )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 1534 volume 0.000e+00 ppm1 -0.111 ppm2 9.164
ASSI ( resid 46 and name hd2# )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 1535 volume 0.000e+00 ppm1 -0.315 ppm2 9.164
ASSI ( resid 97 and name hg2# )
     ( resid 98 and name HN )
     6.0 0.1 0.1 peak 1536 volume 2.250e+02 ppm1 -0.532 ppm2 9.216
ASSI ( resid 48 and name hb# )
     ( resid 113 and name HN )
     6.0 0.1 0.1 peak 1539 volume 9.560e+02 ppm1 -0.030 ppm2 8.494
ASSI ( resid 97 and name hg2# )
     ( resid 72 and name HZ2 )
     6.0 0.1 0.1 peak 1546 volume 3.361e+03 ppm1 -0.534 ppm2 7.446
ASSI ( resid 46 and name hd2# )
     ( resid 96 and name HZ2 )
     6.0 0.1 0.1 peak 1547 volume 1.185e+03 ppm1 -0.315 ppm2 7.421
ASSI ( resid 46 and name hd1# )
     ( resid 96 and name HZ2 )
     6.0 0.1 0.1 peak 1548 volume 5.540e+02 ppm1 -0.114 ppm2 7.421
ASSI ( resid 97 and name hg2# )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 1550 volume 3.550e+02 ppm1 -0.532 ppm2 7.234
ASSI ( resid 63 and name hd2# )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 1552 volume 1.886e+04 ppm1 -0.188 ppm2 7.269
ASSI ( resid 63 and name hd2# )
     ( resid 96 and name HE3 )
     6.0 0.1 0.1 peak 1554 volume 3.454e+03 ppm1 -0.188 ppm2 7.319
ASSI ( resid 48 and name hb# )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 1555 volume 5.183e+03 ppm1 -0.034 ppm2 7.269
ASSI ( resid 48 and name hb# )
     ( resid 98 and name HZ2 )
     6.0 0.1 0.1 peak 1556 volume 1.877e+04 ppm1 -0.035 ppm2 7.190
ASSI ( resid 97 and name hg2# )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 1559 volume 5.870e+02 ppm1 -0.536 ppm2 7.003
ASSI ( resid 97 and name hg2# )
     ( resid 72 and name HH2 )
     6.0 0.1 0.1 peak 1560 volume 2.456e+03 ppm1 -0.536 ppm2 6.945
ASSI ( resid 97 and name hg2# )
     ( resid 72 and name HZ3 )
     6.0 0.1 0.1 peak 1561 volume 7.890e+02 ppm1 -0.540 ppm2 6.704
ASSI ( resid 46 and name hd2# )
     ( resid 96 and name HH2 )
     6.0 0.1 0.1 peak 1562 volume 1.139e+03 ppm1 -0.315 ppm2 7.035
ASSI ( resid 63 and name hd2# )
     ( resid 98 and name HZ3 )
     6.0 0.1 0.1 peak 1564 volume 1.871e+03 ppm1 -0.190 ppm2 6.837
ASSI ( resid 48 and name hb# )
     ( resid 47 and name hd# )
     6.0 0.1 0.1 peak 1566 volume 2.121e+03 ppm1 -0.036 ppm2 6.835
ASSI ( resid 63 and name hd2# )
     ( resid 98 and name HH2 )
     6.0 0.1 0.1 peak 1568 volume 1.029e+03 ppm1 -0.190 ppm2 6.658
ASSI ( resid 46 and name hd1# )
     ( resid 98 and name HH2 )
     6.0 0.1 0.1 peak 1569 volume 1.464e+03 ppm1 -0.115 ppm2 6.657
ASSI ( resid 48 and name hb# )
     ( resid 98 and name HH2 )
     6.0 0.1 0.1 peak 1570 volume 2.052e+04 ppm1 -0.035 ppm2 6.657
ASSI ( resid 100 and name hd1# )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 1571 volume 3.225e+03 ppm1 0.120 ppm2 6.497
ASSI ( resid 100 and name hd1# )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 1572 volume 5.071e+03 ppm1 0.121 ppm2 6.312
ASSI ( resid 67 and name hg2# )
     ( resid 66 and name HD22 )
     6.0 0.1 0.1 peak 1573 volume 3.470e+02 ppm1 -0.019 ppm2 6.197
ASSI ( resid 67 and name hg1# )
     ( resid 66 and name HD22 )
     6.0 0.1 0.1 peak 1574 volume 3.490e+02 ppm1 0.043 ppm2 6.196
ASSI ( resid 63 and name hd1# )
     ( resid 98 and name HZ3 )
     6.0 0.1 0.1 peak 1575 volume 4.997e+03 ppm1 0.267 ppm2 6.839
ASSI ( resid 63 and name hd1# )
     ( resid 98 and name HH2 )
     6.0 0.1 0.1 peak 1578 volume 1.301e+03 ppm1 0.265 ppm2 6.657
ASSI ( resid 97 and name hg1# )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 1581 volume 1.596e+03 ppm1 0.419 ppm2 9.977
ASSI ( attr store1 < 0.482 and attr store1 > 0.442 )
     ( attr store1 < 9.927 and attr store1 > 9.887 )
     6.0 0.1 0.1 peak 1582 volume 3.250e+02 ppm1 0.462 ppm2 9.907
ASSI ( attr store1 < 0.578 and attr store1 > 0.538 )
     ( attr store1 < 9.996 and attr store1 > 9.956 )
     6.0 0.1 0.1 peak 1583 volume 5.390e+02 ppm1 0.558 ppm2 9.976
ASSI ( resid 62 and name hg2# )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 1584 volume 3.070e+02 ppm1 0.692 ppm2 9.981
ASSI ( resid 61 and name hd2# )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 1585 volume 1.043e+04 ppm1 0.590 ppm2 9.903
ASSI ( resid 61 and name hd2# )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 1586 volume 1.189e+03 ppm1 0.591 ppm2 9.782
ASSI ( resid 112 and name hd2# )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1588 volume 3.960e+02 ppm1 0.447 ppm2 9.579
ASSI ( resid 112 and name hd1# )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1589 volume 4.650e+02 ppm1 0.497 ppm2 9.576
ASSI ( resid 97 and name hg1# )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1590 volume 3.570e+02 ppm1 0.417 ppm2 9.503
ASSI ( attr store1 < 0.614 and attr store1 > 0.574 )
     ( attr store1 < 9.314 and attr store1 > 9.274 )
     6.0 0.1 0.1 peak 1594 volume 1.259e+03 ppm1 0.594 ppm2 9.294
ASSI ( resid 97 and name hg1# )
     ( resid 98 and name HN )
     6.0 0.1 0.1 peak 1595 volume 2.518e+03 ppm1 0.420 ppm2 9.211
ASSI ( resid 62 and name hg2# )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 1596 volume 0.000e+00 ppm1 0.702 ppm2 9.372
ASSI ( resid 18 and name hg2# )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 1597 volume 0.000e+00 ppm1 0.749 ppm2 9.306
ASSI ( resid 114 and name hb# )
     ( resid 98 and name HE1 )
     6.0 0.1 0.1 peak 1598 volume 1.572e+03 ppm1 1.139 ppm2 10.601
ASSI ( resid 131 and name hg2# )
     ( resid 72 and name HE1 )
     6.0 0.1 0.1 peak 1601 weight 0.100e+02 volume 1.710e+02 ppm1 0.739 ppm2 10.287
ASSI ( resid 112 and name HB2 )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1607 volume 6.860e+02 ppm1 2.119 ppm2 9.577
ASSI ( resid 61 and name HG )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 1608 volume 1.231e+03 ppm1 1.105 ppm2 9.903
ASSI ( attr store1 < 1.355 and attr store1 > 1.315 )
     ( attr store1 < 9.925 and attr store1 > 9.885 )
     6.0 0.1 0.1 peak 1609 volume 2.830e+02 ppm1 1.335 ppm2 9.905
ASSI ( resid 100 and name HB )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 1610 volume 5.270e+02 ppm1 1.347 ppm2 9.979
ASSI ( resid 60 and name hg2# )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 1611 volume 4.072e+03 ppm1 1.256 ppm2 9.783
ASSI ( attr store1 < 1.551 and attr store1 > 1.511 )
     ( attr store1 < 9.803 and attr store1 > 9.763 )
     6.0 0.1 0.1 peak 1612 volume 2.326e+03 ppm1 1.531 ppm2 9.783
ASSI ( attr store1 < 1.632 and attr store1 > 1.592 )
     ( attr store1 < 9.803 and attr store1 > 9.763 )
     6.0 0.1 0.1 peak 1613 volume 1.543e+03 ppm1 1.612 ppm2 9.783
ASSI ( attr store1 < 1.299 and attr store1 > 1.259 )
     ( attr store1 < 9.596 and attr store1 > 9.556 )
     6.0 0.1 0.1 peak 1614 volume 1.578e+03 ppm1 1.279 ppm2 9.576
ASSI ( resid 63 and name HB3 )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1615 volume 4.710e+02 ppm1 1.326 ppm2 9.504
ASSI ( resid 97 and name hd1# )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1616 volume 6.710e+02 ppm1 1.017 ppm2 9.505
ASSI ( resid 100 and name hd1# )
     ( resid 101 and name HN )
     6.0 0.1 0.1 peak 1624 volume 3.360e+02 ppm1 0.121 ppm2 8.897
ASSI ( resid 100 and name hd1# )
     ( resid 31 and name HN )
     6.0 0.1 0.1 peak 1625 volume 9.160e+02 ppm1 0.119 ppm2 8.862
ASSI ( resid 63 and name hd1# )
     ( resid 86 and name HN )
     6.0 0.1 0.1 peak 1626 volume 3.400e+02 ppm1 0.270 ppm2 8.869
ASSI ( attr store1 < 0.139 and attr store1 > 0.099 )
     ( attr store1 < 8.667 and attr store1 > 8.627 )
     6.0 0.1 0.1 peak 1627 volume 3.140e+02 ppm1 0.119 ppm2 8.647
ASSI ( resid 46 and name hd1# )
     ( resid 96 and name HH2 )
     6.0 0.1 0.1 peak 1629 volume 2.880e+02 ppm1 -0.112 ppm2 7.037
ASSI ( attr store1 < -0.016 and attr store1 > -0.056 )
     ( attr store1 < 6.742 and attr store1 > 6.702 )
     6.0 0.1 0.1 peak 1631 volume 2.260e+02 ppm1 -0.036 ppm2 6.722
ASSI ( resid 48 and name hb# )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 1633 volume 3.910e+02 ppm1 -0.035 ppm2 6.570
ASSI ( resid 49 and name hg2# )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 1635 volume 1.486e+03 ppm1 0.474 ppm2 7.616
ASSI ( resid 75 and name hg2# )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 1637 volume 0.000e+00 ppm1 0.533 ppm2 7.465
ASSI ( resid 63 and name hd1# )
     ( resid 96 and name HE3 )
     6.0 0.1 0.1 peak 1638 volume 1.279e+03 ppm1 0.267 ppm2 7.319
ASSI ( resid 63 and name hd1# )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 1639 volume 1.365e+03 ppm1 0.267 ppm2 7.269
ASSI ( resid 33 and name hg2# )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 1641 volume 1.604e+03 ppm1 0.190 ppm2 7.138
ASSI ( resid 21 and name HB3 )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1645 volume 3.023e+03 ppm1 2.879 ppm2 9.826
ASSI ( attr store1 < 3.035 and attr store1 > 2.995 )
     ( attr store1 < 9.843 and attr store1 > 9.803 )
     6.0 0.1 0.1 peak 1646 volume 1.510e+02 ppm1 3.015 ppm2 9.823
ASSI ( resid 21 and name HB2 )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1648 volume 1.340e+03 ppm1 3.257 ppm2 9.824
ASSI ( attr store1 < 3.257 and attr store1 > 3.217 )
     ( attr store1 < 9.801 and attr store1 > 9.761 )
     6.0 0.1 0.1 peak 1649 volume 2.930e+02 ppm1 3.237 ppm2 9.781
ASSI ( resid 83 and name HD3 )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 1650 volume 0.000e+00 ppm1 3.767 ppm2 9.297
ASSI ( resid 111 and name HB2 )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 1651 volume 0.000e+00 ppm1 3.662 ppm2 9.274
ASSI ( attr store1 < 3.722 and attr store1 > 3.682 )
     ( attr store1 < 9.266 and attr store1 > 9.226 )
     6.0 0.1 0.1 peak 1652 volume 2.730e+02 ppm1 3.702 ppm2 9.246
ASSI ( attr store1 < 3.584 and attr store1 > 3.544 )
     ( attr store1 < 9.279 and attr store1 > 9.239 )
     6.0 0.1 0.1 peak 1653 volume 5.830e+02 ppm1 3.564 ppm2 9.259
ASSI ( resid 80 and name HA )
     ( resid 81 and name HN )
     6.0 0.1 0.1 peak 1654 volume 0.000e+00 ppm1 3.587 ppm2 9.071
ASSI ( resid 60 and name HB )
     ( resid 101 and name HN )
     6.0 0.1 0.1 peak 1655 volume 1.046e+03 ppm1 3.616 ppm2 8.898
ASSI ( resid 29 and name HA2 )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 1657 volume 3.380e+02 ppm1 3.553 ppm2 8.746
ASSI ( resid 111 and name HB2 )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 1659 volume 1.115e+03 ppm1 3.664 ppm2 7.289
ASSI ( resid 71 and name HA2 )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 1661 volume 1.508e+03 ppm1 3.610 ppm2 7.237
ASSI ( resid 108 and name HB3 )
     ( resid 54 and name HD22 )
     6.0 0.1 0.1 peak 1662 volume 1.897e+03 ppm1 3.568 ppm2 7.002
ASSI ( resid 108 and name HB2 )
     ( resid 54 and name HD22 )
     6.0 0.1 0.1 peak 1663 volume 9.050e+02 ppm1 3.711 ppm2 7.002
ASSI ( resid 108 and name HB3 )
     ( resid 54 and name HD21 )
     6.0 0.1 0.1 peak 1667 volume 1.310e+03 ppm1 3.564 ppm2 7.456
ASSI ( resid 108 and name HB2 )
     ( resid 54 and name HD21 )
     6.0 0.1 0.1 peak 1669 volume 8.630e+02 ppm1 3.710 ppm2 7.454
ASSI ( resid 57 and name HA )
     ( resid 54 and name HD21 )
     6.0 0.1 0.1 peak 1671 volume 4.820e+02 ppm1 4.030 ppm2 7.454
ASSI ( resid 83 and name HD2 )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 1673 volume 0.000e+00 ppm1 3.992 ppm2 7.618
ASSI ( resid 83 and name HD3 )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 1674 volume 0.000e+00 ppm1 3.768 ppm2 7.616
ASSI ( resid 80 and name HA )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 1675 volume 1.283e+03 ppm1 3.586 ppm2 7.616
ASSI ( resid 69 and name HA2 )
     ( resid 71 and name HN )
     6.0 0.1 0.1 peak 1676 volume 0.000e+00 ppm1 3.502 ppm2 7.727
ASSI ( resid 69 and name HA1 )
     ( resid 71 and name HN )
     6.0 0.1 0.1 peak 1677 volume 0.000e+00 ppm1 3.943 ppm2 7.728
ASSI ( attr store1 < 3.436 and attr store1 > 3.396 )
     ( attr store1 < 7.354 and attr store1 > 7.314 )
     6.0 0.1 0.1 peak 1681 volume 3.160e+02 ppm1 3.416 ppm2 7.334
ASSI ( attr store1 < 3.814 and attr store1 > 3.774 )
     ( attr store1 < 7.016 and attr store1 > 6.976 )
     6.0 0.1 0.1 peak 1683 volume 0.000e+00 ppm1 3.794 ppm2 6.996
ASSI ( resid 108 and name HB2 )
     ( resid 102 and name HD21 )
     6.0 0.1 0.1 peak 1684 volume 3.290e+02 ppm1 3.708 ppm2 7.082
ASSI ( resid 108 and name HB3 )
     ( resid 102 and name HD21 )
     6.0 0.1 0.1 peak 1686 volume 7.840e+02 ppm1 3.559 ppm2 7.082
ASSI ( resid 27 and name HA2 )
     ( resid 102 and name HD21 )
     6.0 0.1 0.1 peak 1687 volume 1.059e+03 ppm1 3.411 ppm2 7.082
ASSI ( resid 57 and name HA )
     ( resid 54 and name HD22 )
     6.0 0.1 0.1 peak 1695 volume 1.173e+03 ppm1 4.030 ppm2 7.003
ASSI ( resid 21 and name HB2 )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 1699 volume 0.000e+00 ppm1 3.259 ppm2 6.313
ASSI ( resid 21 and name HB2 )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 1701 volume 0.000e+00 ppm1 3.260 ppm2 6.499
ASSI ( attr store1 < 3.279 and attr store1 > 3.239 )
     ( attr store1 < 6.683 and attr store1 > 6.643 )
     6.0 0.1 0.1 peak 1703 volume 4.140e+02 ppm1 3.259 ppm2 6.663
ASSI ( resid 108 and name HB3 )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 1705 volume 5.360e+02 ppm1 3.562 ppm2 6.572
ASSI ( resid 27 and name HA1 )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 1706 volume 1.361e+03 ppm1 3.638 ppm2 6.571
ASSI ( attr store1 < 3.787 and attr store1 > 3.747 )
     ( attr store1 < 6.59 and attr store1 > 6.55 )
     6.0 0.1 0.1 peak 1707 volume 8.470e+02 ppm1 3.767 ppm2 6.570
ASSI ( attr store1 < 3.581 and attr store1 > 3.541 )
     ( attr store1 < 6.519 and attr store1 > 6.479 )
     6.0 0.1 0.1 peak 1708 volume 6.540e+02 ppm1 3.561 ppm2 6.499
ASSI ( resid 111 and name HB2 )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 1709 volume 4.857e+03 ppm1 3.665 ppm2 6.499
ASSI ( resid 23 and name HA2 )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 1715 volume 2.680e+04 ppm1 3.791 ppm2 6.310
ASSI ( resid 69 and name HA1 )
     ( resid 66 and name HD22 )
     6.0 0.1 0.1 peak 1717 weight 0.100e+02 volume 3.480e+02 ppm1 3.945 ppm2 6.196
ASSI ( resid 71 and name HA2 )
     ( resid 66 and name HD22 )
     6.0 0.1 0.1 peak 1718 weight 0.100e+02 volume 3.210e+02 ppm1 3.602 ppm2 6.198
ASSI ( resid 69 and name HA2 )
     ( resid 66 and name HD22 )
     6.0 0.1 0.1 peak 1719 weight 0.100e+02 volume 3.880e+02 ppm1 3.501 ppm2 6.195
ASSI ( attr store1 < 3.577 and attr store1 > 3.537 )
     ( attr store1 < 6.331 and attr store1 > 6.291 )
     6.0 0.1 0.1 peak 1720 volume 1.630e+02 ppm1 3.557 ppm2 6.311
ASSI ( attr store1 < 4.012 and attr store1 > 3.972 )
     ( attr store1 < 6.626 and attr store1 > 6.586 )
     6.0 0.1 0.1 peak 1722 volume 1.910e+02 ppm1 3.992 ppm2 6.606
ASSI ( resid 31 and name HA )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 1725 weight 0.100e+02 volume 1.649e+03 ppm1 4.298 ppm2 7.236
ASSI ( resid 104 and name hb# )
     ( resid 102 and name HD21 )
     6.0 0.1 0.1 peak 1728 volume 1.106e+03 ppm1 4.171 ppm2 7.083
ASSI ( resid 107 and name HA )
     ( resid 102 and name HD21 )
     6.0 0.1 0.1 peak 1730 volume 2.377e+03 ppm1 4.360 ppm2 7.081
ASSI ( resid 31 and name HA )
     ( resid 131 and name HN )
     6.0 0.1 0.1 peak 1734 volume 5.486e+03 ppm1 4.298 ppm2 6.866
ASSI ( resid 104 and name hb# )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 1737 volume 6.730e+02 ppm1 4.176 ppm2 6.573
ASSI ( resid 107 and name HA )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 1738 volume 2.196e+03 ppm1 4.361 ppm2 6.571
ASSI ( attr store1 < 4.446 and attr store1 > 4.406 )
     ( attr store1 < 7.026 and attr store1 > 6.986 )
     6.0 0.1 0.1 peak 1739 volume 3.290e+02 ppm1 4.426 ppm2 7.006
ASSI ( attr store1 < 4.274 and attr store1 > 4.234 )
     ( attr store1 < 7.473 and attr store1 > 7.433 )
     6.0 0.1 0.1 peak 1741 volume 9.580e+02 ppm1 4.254 ppm2 7.453
ASSI ( resid 72 and name HA )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 1742 volume 0.000e+00 ppm1 4.544 ppm2 7.234
ASSI ( attr store1 < 4.565 and attr store1 > 4.525 )
     ( attr store1 < 7.212 and attr store1 > 7.172 )
     6.0 0.1 0.1 peak 1743 volume 0.000e+00 ppm1 4.545 ppm2 7.192
ASSI ( attr store1 < 4.503 and attr store1 > 4.463 )
     ( attr store1 < 7.214 and attr store1 > 7.174 )
     6.0 0.1 0.1 peak 1744 volume 0.000e+00 ppm1 4.483 ppm2 7.194
ASSI ( resid 72 and name HA )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 1747 volume 0.000e+00 ppm1 4.542 ppm2 7.005
ASSI ( attr store1 < 4.528 and attr store1 > 4.488 )
     ( attr store1 < 6.87 and attr store1 > 6.83 )
     6.0 0.1 0.1 peak 1749 volume 2.752e+03 ppm1 4.508 ppm2 6.850
ASSI ( resid 84 and name HA )
     ( resid 78 and name HD21 )
     6.0 0.1 0.1 peak 1752 volume 0.000e+00 ppm1 4.499 ppm2 6.656
ASSI ( resid 84 and name HA )
     ( resid 78 and name HD22 )
     6.0 0.1 0.1 peak 1753 volume 0.000e+00 ppm1 4.497 ppm2 6.605
ASSI ( attr store1 < 4.507 and attr store1 > 4.467 )
     ( attr store1 < 6.747 and attr store1 > 6.707 )
     6.0 0.1 0.1 peak 1755 volume 1.968e+03 ppm1 4.487 ppm2 6.727
ASSI ( resid 112 and name HA )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 1757 volume 6.600e+02 ppm1 5.115 ppm2 7.136
ASSI ( resid 63 and name HA )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 1758 volume 0.000e+00 ppm1 4.969 ppm2 7.267
ASSI ( resid 111 and name HA )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 1759 volume 1.472e+03 ppm1 5.134 ppm2 7.050
ASSI ( resid 108 and name HA )
     ( resid 54 and name HD22 )
     6.0 0.1 0.1 peak 1761 volume 1.315e+03 ppm1 4.905 ppm2 7.001
ASSI ( resid 63 and name HA )
     ( resid 98 and name HZ3 )
     6.0 0.1 0.1 peak 1763 volume 4.840e+02 ppm1 4.960 ppm2 6.838
ASSI ( resid 112 and name HA )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 1765 volume 2.909e+03 ppm1 5.110 ppm2 7.288
ASSI ( attr store1 < 5.276 and attr store1 > 5.236 )
     ( attr store1 < 7.343 and attr store1 > 7.303 )
     6.0 0.1 0.1 peak 1766 volume 7.500e+02 ppm1 5.256 ppm2 7.323
ASSI ( resid 98 and name HA )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 1767 volume 0.000e+00 ppm1 5.213 ppm2 7.268
ASSI ( resid 109 and name HA )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 1770 volume 6.050e+02 ppm1 5.287 ppm2 7.050
ASSI ( resid 59 and name HA )
     ( resid 103 and name HD21 )
     6.0 0.1 0.1 peak 1772 volume 1.401e+03 ppm1 5.440 ppm2 7.107
ASSI ( resid 20 and name HA )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 1773 volume 1.598e+03 ppm1 5.606 ppm2 7.137
ASSI ( resid 96 and name HA )
     ( resid 96 and name HE3 )
     6.0 0.1 0.1 peak 1775 volume 0.000e+00 ppm1 5.741 ppm2 7.321
ASSI ( resid 96 and name HA )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 1777 volume 5.020e+02 ppm1 5.742 ppm2 7.007
ASSI ( resid 96 and name HA )
     ( resid 72 and name HH2 )
     6.0 0.1 0.1 peak 1778 volume 4.940e+02 ppm1 5.743 ppm2 6.947
ASSI ( resid 85 and name HA )
     ( resid 47 and name hd# )
     6.0 0.1 0.1 peak 1782 volume 1.498e+03 ppm1 5.438 ppm2 6.836
ASSI ( resid 96 and name HA )
     ( resid 72 and name HZ3 )
     6.0 0.1 0.1 peak 1784 volume 2.278e+03 ppm1 5.743 ppm2 6.704
ASSI ( resid 66 and name HD22 )
     ( resid 72 and name HE1 )
     6.0 0.1 0.1 peak 1785 volume 5.770e+02 ppm1 6.198 ppm2 10.289
ASSI ( resid 110 and name he# )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1786 volume 7.175e+03 ppm1 6.317 ppm2 9.826
ASSI ( resid 110 and name hd# )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1787 volume 1.908e+04 ppm1 6.503 ppm2 9.825
ASSI ( resid 72 and name HH2 )
     ( resid 72 and name HE1 )
     6.0 0.1 0.1 peak 1791 volume 0.000e+00 ppm1 6.945 ppm2 10.289
ASSI ( resid 23 and name HN )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1792 volume 2.830e+02 ppm1 7.059 ppm2 9.826
ASSI ( resid 21 and name hd# )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1793 volume 6.340e+03 ppm1 7.136 ppm2 9.826
ASSI ( resid 96 and name HZ2 )
     ( resid 96 and name HE1 )
     6.0 0.1 0.1 peak 1795 volume 0.000e+00 ppm1 7.416 ppm2 10.416
ASSI ( resid 98 and name HE3 )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 1796 volume 0.000e+00 ppm1 7.263 ppm2 9.980
ASSI ( attr store1 < 7.293 and attr store1 > 7.253 )
     ( attr store1 < 9.921 and attr store1 > 9.881 )
     6.0 0.1 0.1 peak 1798 volume 2.140e+02 ppm1 7.273 ppm2 9.901
ASSI ( resid 72 and name HN )
     ( resid 72 and name HE1 )
     6.0 0.1 0.1 peak 1800 volume 0.000e+00 ppm1 8.175 ppm2 10.294
ASSI ( attr store1 < 8.778 and attr store1 > 8.738 )
     ( attr store1 < 9.802 and attr store1 > 9.762 )
     6.0 0.1 0.1 peak 1801 volume 3.230e+02 ppm1 8.758 ppm2 9.782
ASSI ( resid 61 and name HN )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 1802 volume 1.769e+03 ppm1 9.064 ppm2 9.782
ASSI ( resid 101 and name HN )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 1803 volume 2.560e+02 ppm1 8.897 ppm2 9.903
ASSI ( attr store1 < 5.703 and attr store1 > 5.663 )
     ( attr store1 < 9.921 and attr store1 > 9.881 )
     6.0 0.1 0.1 peak 1805 volume 2.250e+02 ppm1 5.683 ppm2 9.901
ASSI ( resid 20 and name HA )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1806 volume 5.850e+02 ppm1 5.616 ppm2 9.825
ASSI ( resid 96 and name HA )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1809 volume 4.680e+02 ppm1 5.736 ppm2 9.499
ASSI ( attr store1 < 5.049 and attr store1 > 5.009 )
     ( attr store1 < 10.001 and attr store1 > 9.961 )
     6.0 0.1 0.1 peak 1810 volume 4.530e+02 ppm1 5.029 ppm2 9.981
ASSI ( resid 63 and name HA )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 1811 volume 2.381e+03 ppm1 4.960 ppm2 9.980
ASSI ( resid 111 and name HA )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1814 weight 0.100e+02 volume 4.820e+02 ppm1 5.132 ppm2 9.574
ASSI ( resid 30 and name HA )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 1815 volume 7.390e+02 ppm1 5.690 ppm2 9.375
ASSI ( resid 110 and name HA )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 1817 volume 0.000e+00 ppm1 5.463 ppm2 9.270
ASSI ( attr store1 < 5.635 and attr store1 > 5.595 )
     ( attr store1 < 9.229 and attr store1 > 9.189 )
     6.0 0.1 0.1 peak 1818 volume 3.990e+02 ppm1 5.615 ppm2 9.209
ASSI ( resid 113 and name HA )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 1819 volume 6.370e+02 ppm1 5.617 ppm2 9.143
ASSI ( resid 32 and name HA )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 1820 volume 0.000e+00 ppm1 5.631 ppm2 9.073
ASSI ( attr store1 < 5.468 and attr store1 > 5.428 )
     ( attr store1 < 9.154 and attr store1 > 9.114 )
     6.0 0.1 0.1 peak 1821 volume 2.210e+02 ppm1 5.448 ppm2 9.134
ASSI ( resid 59 and name HA )
     ( resid 103 and name HN )
     6.0 0.1 0.1 peak 1822 volume 3.738e+03 ppm1 5.438 ppm2 9.067
ASSI ( resid 47 and name HA )
     ( resid 86 and name HN )
     6.0 0.1 0.1 peak 1824 volume 1.338e+03 ppm1 5.585 ppm2 8.867
ASSI ( resid 96 and name HA )
     ( resid 96 and name HN )
     6.0 0.1 0.1 peak 1826 volume 0.000e+00 ppm1 5.742 ppm2 8.274
ASSI ( attr store1 < 5.605 and attr store1 > 5.565 )
     ( attr store1 < 8.201 and attr store1 > 8.161 )
     6.0 0.1 0.1 peak 1827 volume 0.000e+00 ppm1 5.585 ppm2 8.181
ASSI ( resid 109 and name HA )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 1833 volume 4.750e+02 ppm1 5.280 ppm2 8.392
ASSI ( attr store1 < 5.288 and attr store1 > 5.248 )
     ( attr store1 < 8.029 and attr store1 > 7.989 )
     6.0 0.1 0.1 peak 1835 volume 2.130e+02 ppm1 5.268 ppm2 8.009
ASSI ( resid 72 and name HB3 )
     ( resid 72 and name HE1 )
     6.0 0.1 0.1 peak 1836 volume 0.000e+00 ppm1 2.828 ppm2 10.289
ASSI ( resid 72 and name HB2 )
     ( resid 72 and name HE1 )
     6.0 0.1 0.1 peak 1837 volume 0.000e+00 ppm1 2.903 ppm2 10.289
ASSI ( attr store1 < 4.497 and attr store1 > 4.457 )
     ( attr store1 < 9.999 and attr store1 > 9.959 )
     6.0 0.1 0.1 peak 1840 volume 1.460e+02 ppm1 4.477 ppm2 9.979
ASSI ( attr store1 < 6.34 and attr store1 > 6.3 )
     ( attr store1 < 9.589 and attr store1 > 9.549 )
     6.0 0.1 0.1 peak 1845 volume 4.930e+02 ppm1 6.320 ppm2 9.569
ASSI ( attr store1 < 6.53 and attr store1 > 6.49 )
     ( attr store1 < 9.591 and attr store1 > 9.551 )
     6.0 0.1 0.1 peak 1846 volume 1.560e+02 ppm1 6.510 ppm2 9.571
ASSI ( resid 50 and name HA )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1847 volume 2.770e+02 ppm1 4.781 ppm2 9.823
ASSI ( resid 61 and name hb# )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 1852 volume 2.123e+03 ppm1 1.862 ppm2 9.782
ASSI ( attr store1 < 1.67 and attr store1 > 1.63 )
     ( attr store1 < 9.527 and attr store1 > 9.487 )
     6.0 0.1 0.1 peak 1856 volume 1.480e+02 ppm1 1.650 ppm2 9.507
ASSI ( resid 61 and name hd1# )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 1860 volume 2.976e+03 ppm1 0.904 ppm2 9.782
ASSI ( resid 112 and name HG )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1861 volume 0.000e+00 ppm1 1.083 ppm2 9.825
ASSI ( attr store1 < 1.101 and attr store1 > 1.061 )
     ( attr store1 < 9.595 and attr store1 > 9.555 )
     6.0 0.1 0.1 peak 1862 volume 6.341e+03 ppm1 1.081 ppm2 9.575
ASSI ( resid 112 and name HB3 )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1863 volume 6.590e+02 ppm1 1.137 ppm2 9.577
ASSI ( attr store1 < 0.495 and attr store1 > 0.455 )
     ( attr store1 < 9.309 and attr store1 > 9.269 )
     6.0 0.1 0.1 peak 1867 volume 4.717e+03 ppm1 0.475 ppm2 9.289
ASSI ( attr store1 < 0.94 and attr store1 > 0.9 )
     ( attr store1 < 9.393 and attr store1 > 9.353 )
     6.0 0.1 0.1 peak 1868 volume 0.000e+00 ppm1 0.920 ppm2 9.373
ASSI ( attr store1 < 0.692 and attr store1 > 0.652 )
     ( attr store1 < 9.166 and attr store1 > 9.126 )
     6.0 0.1 0.1 peak 1869 volume 3.450e+03 ppm1 0.672 ppm2 9.146
ASSI ( resid 18 and name hg2# )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 1870 volume 0.000e+00 ppm1 0.743 ppm2 9.142
ASSI ( attr store1 < 0.489 and attr store1 > 0.449 )
     ( attr store1 < 9.089 and attr store1 > 9.049 )
     6.0 0.1 0.1 peak 1871 volume 4.555e+03 ppm1 0.469 ppm2 9.069
ASSI ( resid 97 and name hg1# )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 1872 volume 2.164e+03 ppm1 0.424 ppm2 9.073
ASSI ( resid 64 and name hd1# )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 1875 volume 1.469e+04 ppm1 0.667 ppm2 8.933
ASSI ( resid 100 and name hg2# )
     ( resid 101 and name HN )
     6.0 0.1 0.1 peak 1878 volume 2.901e+04 ppm1 0.459 ppm2 8.896
ASSI ( attr store1 < 1.076 and attr store1 > 1.036 )
     ( attr store1 < 9.158 and attr store1 > 9.118 )
     6.0 0.1 0.1 peak 1880 volume 1.697e+03 ppm1 1.056 ppm2 9.138
ASSI ( resid 116 and name hg1# )
     ( resid 117 and name HN )
     6.0 0.1 0.1 peak 1881 volume 0.000e+00 ppm1 1.183 ppm2 9.135
ASSI ( resid 60 and name hg2# )
     ( resid 61 and name HN )
     6.0 0.1 0.1 peak 1882 volume 0.000e+00 ppm1 1.247 ppm2 9.065
ASSI ( resid 19 and name hb# )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 1884 volume 1.144e+03 ppm1 1.285 ppm2 9.303
ASSI ( attr store1 < 1.275 and attr store1 > 1.235 )
     ( attr store1 < 9.232 and attr store1 > 9.192 )
     6.0 0.1 0.1 peak 1886 volume 3.630e+02 ppm1 1.255 ppm2 9.212
ASSI ( resid 49 and name HB )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 1888 volume 1.550e+03 ppm1 1.587 ppm2 9.295
ASSI ( attr store1 < 1.591 and attr store1 > 1.551 )
     ( attr store1 < 9.394 and attr store1 > 9.354 )
     6.0 0.1 0.1 peak 1889 volume 5.660e+02 ppm1 1.571 ppm2 9.374
ASSI ( attr store1 < 1.706 and attr store1 > 1.666 )
     ( attr store1 < 9.087 and attr store1 > 9.047 )
     6.0 0.1 0.1 peak 1891 volume 1.498e+03 ppm1 1.686 ppm2 9.067
ASSI ( resid 80 and name HB )
     ( resid 81 and name HN )
     6.0 0.1 0.1 peak 1892 volume 1.373e+03 ppm1 1.756 ppm2 9.071
ASSI ( attr store1 < 1.886 and attr store1 > 1.846 )
     ( attr store1 < 9.171 and attr store1 > 9.131 )
     6.0 0.1 0.1 peak 1893 volume 1.667e+03 ppm1 1.866 ppm2 9.151
ASSI ( attr store1 < 1.987 and attr store1 > 1.947 )
     ( attr store1 < 9.088 and attr store1 > 9.048 )
     6.0 0.1 0.1 peak 1895 volume 1.743e+03 ppm1 1.967 ppm2 9.068
ASSI ( resid 64 and name HG )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 1900 volume 1.664e+04 ppm1 1.428 ppm2 8.931
ASSI ( attr store1 < 2.186 and attr store1 > 2.146 )
     ( attr store1 < 9.17 and attr store1 > 9.13 )
     6.0 0.1 0.1 peak 1905 volume 8.890e+02 ppm1 2.166 ppm2 9.150
ASSI ( resid 45 and name HB2 )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 1906 volume 0.000e+00 ppm1 2.093 ppm2 9.162
ASSI ( resid 59 and name he# )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 1907 volume 0.000e+00 ppm1 2.068 ppm2 9.076
ASSI ( resid 116 and name HB )
     ( resid 117 and name HN )
     6.0 0.1 0.1 peak 1910 volume 0.000e+00 ppm1 2.501 ppm2 9.135
ASSI ( attr store1 < 2.122 and attr store1 > 2.082 )
     ( attr store1 < 8.878 and attr store1 > 8.838 )
     6.0 0.1 0.1 peak 1912 volume 8.670e+02 ppm1 2.102 ppm2 8.858
ASSI ( attr store1 < 2.186 and attr store1 > 2.146 )
     ( attr store1 < 8.877 and attr store1 > 8.837 )
     6.0 0.1 0.1 peak 1913 volume 6.370e+02 ppm1 2.166 ppm2 8.857
ASSI ( attr store1 < 4.365 and attr store1 > 4.325 )
     ( attr store1 < 9.078 and attr store1 > 9.038 )
     6.0 0.1 0.1 peak 1918 volume 9.570e+02 ppm1 4.345 ppm2 9.058
ASSI ( resid 18 and name HA )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 1922 volume 0.000e+00 ppm1 4.617 ppm2 9.309
ASSI ( attr store1 < 4.963 and attr store1 > 4.923 )
     ( attr store1 < 9.282 and attr store1 > 9.242 )
     6.0 0.1 0.1 peak 1923 volume 0.000e+00 ppm1 4.943 ppm2 9.262
ASSI ( resid 116 and name HA )
     ( resid 117 and name HN )
     6.0 0.1 0.1 peak 1924 volume 0.000e+00 ppm1 4.878 ppm2 9.135
ASSI ( attr store1 < 4.278 and attr store1 > 4.238 )
     ( attr store1 < 9.15 and attr store1 > 9.11 )
     6.0 0.1 0.1 peak 1927 volume 3.940e+02 ppm1 4.258 ppm2 9.130
ASSI ( resid 112 and name HA )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 1929 volume 5.967e+03 ppm1 5.111 ppm2 9.271
ASSI ( attr store1 < 5.274 and attr store1 > 5.234 )
     ( attr store1 < 9.094 and attr store1 > 9.054 )
     6.0 0.1 0.1 peak 1931 volume 0.000e+00 ppm1 5.254 ppm2 9.074
ASSI ( resid 111 and name HB3 )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 1933 volume 3.290e+02 ppm1 3.563 ppm2 7.289
ASSI ( resid 27 and name HA2 )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 1934 volume 9.510e+02 ppm1 3.411 ppm2 6.571
ASSI ( resid 71 and name HA1 )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 1935 volume 5.940e+02 ppm1 4.221 ppm2 7.235
ASSI ( attr store1 < 4.265 and attr store1 > 4.225 )
     ( attr store1 < 7.103 and attr store1 > 7.063 )
     6.0 0.1 0.1 peak 1936 volume 2.080e+02 ppm1 4.245 ppm2 7.083
ASSI ( resid 25 and name HA )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 1939 volume 1.972e+03 ppm1 4.674 ppm2 6.498
ASSI ( attr store1 < 5.306 and attr store1 > 5.266 )
     ( attr store1 < 7.022 and attr store1 > 6.982 )
     6.0 0.1 0.1 peak 1940 volume 7.590e+02 ppm1 5.286 ppm2 7.002
ASSI ( resid 85 and name HA )
     ( resid 98 and name HH2 )
     6.0 0.1 0.1 peak 1941 volume 2.460e+02 ppm1 5.443 ppm2 6.657
ASSI ( resid 59 and name HA )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 1943 volume 8.440e+02 ppm1 5.442 ppm2 7.914
ASSI ( resid 85 and name HA )
     ( resid 48 and name HN )
     6.0 0.1 0.1 peak 1944 volume 2.258e+03 ppm1 5.439 ppm2 8.014
ASSI ( resid 114 and name HA )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 1945 volume 1.117e+03 ppm1 5.284 ppm2 8.356
ASSI ( attr store1 < 4.622 and attr store1 > 4.582 )
     ( attr store1 < 10.002 and attr store1 > 9.962 )
     6.0 0.1 0.1 peak 1948 volume 1.690e+02 ppm1 4.602 ppm2 9.982
ASSI ( resid 22 and name HA )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1949 volume 1.375e+03 ppm1 4.953 ppm2 9.826
ASSI ( resid 22 and name HB )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1950 volume 2.130e+02 ppm1 3.981 ppm2 9.825
ASSI ( resid 62 and name HA )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 1951 volume 1.113e+03 ppm1 4.596 ppm2 9.784
ASSI ( resid 60 and name HA )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 1952 volume 5.770e+02 ppm1 4.678 ppm2 9.781
ASSI ( attr store1 < 1.277 and attr store1 > 1.237 )
     ( attr store1 < 9.925 and attr store1 > 9.885 )
     6.0 0.1 0.1 peak 1953 volume 1.254e+03 ppm1 1.257 ppm2 9.905
ASSI ( resid 99 and name hd# )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 1955 volume 1.437e+03 ppm1 1.261 ppm2 9.375
ASSI ( attr store1 < 1.678 and attr store1 > 1.638 )
     ( attr store1 < 9.17 and attr store1 > 9.13 )
     6.0 0.1 0.1 peak 1957 volume 4.600e+02 ppm1 1.658 ppm2 9.150
ASSI ( resid 31 and name HA )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 1960 volume 0.000e+00 ppm1 4.301 ppm2 9.336
ASSI ( resid 102 and name HB2 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 1961 volume 9.180e+02 ppm1 3.310 ppm2 8.427
ASSI ( resid 110 and name he# )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 1962 volume 1.087e+03 ppm1 6.320 ppm2 9.253
ASSI ( resid 110 and name hd# )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 1964 volume 1.598e+03 ppm1 6.503 ppm2 9.255
ASSI ( resid 21 and name he# )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1966 volume 4.319e+03 ppm1 6.807 ppm2 9.579
ASSI ( attr store1 < 6.675 and attr store1 > 6.635 )
     ( attr store1 < 9.318 and attr store1 > 9.278 )
     6.0 0.1 0.1 peak 1970 volume 3.200e+02 ppm1 6.655 ppm2 9.298
ASSI ( resid 47 and name hd# )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 1971 volume 6.270e+02 ppm1 6.831 ppm2 9.299
ASSI ( resid 21 and name hd# )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 1973 volume 2.930e+02 ppm1 7.136 ppm2 9.308
ASSI ( attr store1 < 7.292 and attr store1 > 7.252 )
     ( attr store1 < 9.521 and attr store1 > 9.481 )
     6.0 0.1 0.1 peak 1975 volume 2.310e+02 ppm1 7.272 ppm2 9.501
ASSI ( resid 51 and name HD2 )
     ( resid 52 and name HN )
     6.0 0.1 0.1 peak 1976 volume 0.000e+00 ppm1 7.288 ppm2 9.133
ASSI ( resid 48 and name HN )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 1979 volume 0.000e+00 ppm1 8.023 ppm2 9.299
ASSI ( attr store1 < 8.389 and attr store1 > 8.349 )
     ( attr store1 < 9.323 and attr store1 > 9.283 )
     6.0 0.1 0.1 peak 1980 volume 0.000e+00 ppm1 8.369 ppm2 9.303
ASSI ( attr store1 < 8.413 and attr store1 > 8.373 )
     ( attr store1 < 9.091 and attr store1 > 9.051 )
     6.0 0.1 0.1 peak 1982 volume 6.610e+02 ppm1 8.393 ppm2 9.071
ASSI ( attr store1 < 8.033 and attr store1 > 7.993 )
     ( attr store1 < 9.15 and attr store1 > 9.11 )
     6.0 0.1 0.1 peak 1983 volume 0.000e+00 ppm1 8.013 ppm2 9.130
ASSI ( attr store1 < 8.628 and attr store1 > 8.588 )
     ( attr store1 < 9.094 and attr store1 > 9.054 )
     6.0 0.1 0.1 peak 1987 volume 2.210e+02 ppm1 8.608 ppm2 9.074
ASSI ( resid 65 and name HN )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1990 volume 0.000e+00 ppm1 8.937 ppm2 9.504
ASSI ( attr store1 < 9.237 and attr store1 > 9.197 )
     ( attr store1 < 9.529 and attr store1 > 9.489 )
     6.0 0.1 0.1 peak 1992 volume 1.810e+02 ppm1 9.217 ppm2 9.509
ASSI ( attr store1 < 9.099 and attr store1 > 9.059 )
     ( attr store1 < 9.392 and attr store1 > 9.352 )
     6.0 0.1 0.1 peak 1993 volume 3.260e+02 ppm1 9.079 ppm2 9.372
ASSI ( resid 19 and name HN )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 1994 volume 2.133e+03 ppm1 9.141 ppm2 9.305
ASSI ( resid 111 and name HN )
     ( resid 52 and name HN )
     6.0 0.1 0.1 peak 2000 volume 3.890e+02 ppm1 8.658 ppm2 9.135
ASSI ( attr store1 < 8.704 and attr store1 > 8.664 )
     ( attr store1 < 8.952 and attr store1 > 8.912 )
     6.0 0.1 0.1 peak 2002 volume 1.498e+03 ppm1 8.684 ppm2 8.932
ASSI ( resid 64 and name HN )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 2003 volume 2.910e+02 ppm1 9.495 ppm2 9.979
ASSI ( resid 51 and name HN )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 2004 volume 0.000e+00 ppm1 9.271 ppm2 9.826
ASSI ( resid 21 and name HN )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 2006 volume 2.572e+03 ppm1 9.578 ppm2 9.826
ASSI ( attr store1 < 7.942 and attr store1 > 7.902 )
     ( attr store1 < 8.859 and attr store1 > 8.819 )
     6.0 0.1 0.1 peak 2011 volume 4.120e+02 ppm1 7.922 ppm2 8.839
ASSI ( attr store1 < 8.119 and attr store1 > 8.079 )
     ( attr store1 < 8.766 and attr store1 > 8.726 )
     6.0 0.1 0.1 peak 2013 volume 6.730e+02 ppm1 8.099 ppm2 8.746
ASSI ( attr store1 < 8.147 and attr store1 > 8.107 )
     ( attr store1 < 9.315 and attr store1 > 9.275 )
     6.0 0.1 0.1 peak 2014 volume 0.000e+00 ppm1 8.127 ppm2 9.295
ASSI ( resid 72 and name HE3 )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 2017 volume 8.380e+02 ppm1 7.006 ppm2 8.931
ASSI ( resid 72 and name HZ3 )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 2018 volume 0.000e+00 ppm1 6.706 ppm2 8.931
ASSI ( attr store1 < 5.265 and attr store1 > 5.225 )
     ( attr store1 < 8.888 and attr store1 > 8.848 )
     6.0 0.1 0.1 peak 2019 volume 1.289e+03 ppm1 5.245 ppm2 8.868
ASSI ( attr store1 < 4.006 and attr store1 > 3.966 )
     ( attr store1 < 9.313 and attr store1 > 9.273 )
     6.0 0.1 0.1 peak 2026 volume 0.000e+00 ppm1 3.986 ppm2 9.293
ASSI ( attr store1 < 4.005 and attr store1 > 3.965 )
     ( attr store1 < 9.273 and attr store1 > 9.233 )
     6.0 0.1 0.1 peak 2027 volume 0.000e+00 ppm1 3.985 ppm2 9.253
ASSI ( attr store1 < 3.333 and attr store1 > 3.293 )
     ( attr store1 < 8.907 and attr store1 > 8.867 )
     6.0 0.1 0.1 peak 2032 volume 0.000e+00 ppm1 3.313 ppm2 8.887
ASSI ( resid 85 and name hg# )
     ( resid 86 and name HN )
     6.0 0.1 0.1 peak 2034 volume 0.000e+00 ppm1 1.459 ppm2 8.868
ASSI ( attr store1 < 1.078 and attr store1 > 1.038 )
     ( attr store1 < 8.86 and attr store1 > 8.82 )
     6.0 0.1 0.1 peak 2037 volume 1.932e+03 ppm1 1.058 ppm2 8.840
ASSI ( resid 64 and name hd2# )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 2042 volume 1.025e+03 ppm1 0.549 ppm2 8.932
ASSI ( resid 25 and name hd1# )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 2043 volume 0.000e+00 ppm1 0.571 ppm2 8.746
ASSI ( attr store1 < 0.133 and attr store1 > 0.093 )
     ( attr store1 < 9.274 and attr store1 > 9.234 )
     6.0 0.1 0.1 peak 2048 volume 2.440e+02 ppm1 0.113 ppm2 9.254
ASSI ( resid 64 and name hd2# )
     ( resid 73 and name HN )
     6.0 0.1 0.1 peak 2053 volume 3.040e+02 ppm1 0.552 ppm2 8.683
ASSI ( attr store1 < 0.485 and attr store1 > 0.445 )
     ( attr store1 < 8.676 and attr store1 > 8.636 )
     6.0 0.1 0.1 peak 2054 volume 7.000e+02 ppm1 0.465 ppm2 8.656
ASSI ( attr store1 < 0.596 and attr store1 > 0.556 )
     ( attr store1 < 8.665 and attr store1 > 8.625 )
     6.0 0.1 0.1 peak 2055 volume 0.000e+00 ppm1 0.576 ppm2 8.645
ASSI ( resid 49 and name hg2# )
     ( resid 51 and name HE1 )
     6.0 0.1 0.1 peak 2056 volume 4.186e+03 ppm1 0.472 ppm2 8.613
ASSI ( resid 112 and name hd1# )
     ( resid 113 and name HN )
     6.0 0.1 0.1 peak 2057 volume 3.426e+04 ppm1 0.496 ppm2 8.492
ASSI ( resid 61 and name hd2# )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 2059 volume 1.908e+03 ppm1 0.595 ppm2 8.388
ASSI ( attr store1 < 0.563 and attr store1 > 0.523 )
     ( attr store1 < 8.268 and attr store1 > 8.228 )
     6.0 0.1 0.1 peak 2060 volume 1.830e+02 ppm1 0.543 ppm2 8.248
ASSI ( resid 25 and name hd1# )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 2061 volume 1.210e+03 ppm1 0.579 ppm2 8.211
ASSI ( resid 25 and name hd1# )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 2062 volume 1.118e+03 ppm1 0.579 ppm2 8.102
ASSI ( attr store1 < 0.615 and attr store1 > 0.575 )
     ( attr store1 < 8.031 and attr store1 > 7.991 )
     6.0 0.1 0.1 peak 2063 volume 2.390e+02 ppm1 0.595 ppm2 8.011
ASSI ( resid 131 and name hg2# )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 2065 weight 0.100e+02 volume 4.090e+02 ppm1 0.751 ppm2 8.166
ASSI ( attr store1 < 0.771 and attr store1 > 0.731 )
     ( attr store1 < 8.519 and attr store1 > 8.479 )
     6.0 0.1 0.1 peak 2066 volume 2.150e+03 ppm1 0.751 ppm2 8.499
ASSI ( resid 49 and name hg1# )
     ( resid 51 and name HE1 )
     6.0 0.1 0.1 peak 2067 volume 4.868e+03 ppm1 0.753 ppm2 8.614
ASSI ( resid 64 and name hd1# )
     ( resid 73 and name HN )
     6.0 0.1 0.1 peak 2068 volume 9.850e+02 ppm1 0.668 ppm2 8.685
ASSI ( resid 131 and name hg2# )
     ( resid 73 and name HN )
     6.0 0.1 0.1 peak 2069 volume 3.250e+02 ppm1 0.742 ppm2 8.683
ASSI ( attr store1 < 0.891 and attr store1 > 0.851 )
     ( attr store1 < 8.763 and attr store1 > 8.723 )
     6.0 0.1 0.1 peak 2071 volume 9.765e+03 ppm1 0.871 ppm2 8.743
ASSI ( resid 61 and name hd1# )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 2077 volume 5.490e+02 ppm1 0.903 ppm2 8.390
ASSI ( resid 62 and name hg1# )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 2078 volume 4.010e+02 ppm1 0.852 ppm2 8.244
ASSI ( resid 62 and name hd1# )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 2079 volume 2.409e+03 ppm1 0.911 ppm2 8.244
ASSI ( resid 84 and name hd2# )
     ( resid 85 and name HN )
     6.0 0.1 0.1 peak 2080 volume 1.792e+03 ppm1 0.911 ppm2 8.193
ASSI ( attr store1 < 0.921 and attr store1 > 0.881 )
     ( attr store1 < 8.033 and attr store1 > 7.993 )
     6.0 0.1 0.1 peak 2082 volume 0.000e+00 ppm1 0.901 ppm2 8.013
ASSI ( resid 116 and name hg1# )
     ( resid 118 and name HN )
     6.0 0.1 0.1 peak 2083 volume 3.250e+02 ppm1 1.176 ppm2 8.012
ASSI ( attr store1 < 1.086 and attr store1 > 1.046 )
     ( attr store1 < 8.235 and attr store1 > 8.195 )
     6.0 0.1 0.1 peak 2084 volume 6.630e+02 ppm1 1.066 ppm2 8.215
ASSI ( resid 53 and name hg2# )
     ( resid 53 and name HN )
     6.0 0.1 0.1 peak 2086 volume 0.000e+00 ppm1 1.182 ppm2 8.147
ASSI ( resid 55 and name hg# )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 2087 volume 4.442e+03 ppm1 1.027 ppm2 8.281
ASSI ( resid 50 and name hd1# )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 2088 volume 0.000e+00 ppm1 1.015 ppm2 8.388
ASSI ( attr store1 < 1.136 and attr store1 > 1.096 )
     ( attr store1 < 8.545 and attr store1 > 8.505 )
     6.0 0.1 0.1 peak 2091 volume 2.879e+03 ppm1 1.116 ppm2 8.525
ASSI ( resid 53 and name hg2# )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 2092 volume 0.000e+00 ppm1 1.182 ppm2 8.601
ASSI ( resid 127 and name hg2# )
     ( resid 127 and name HN )
     6.0 0.1 0.1 peak 2095 volume 0.000e+00 ppm1 1.247 ppm2 8.723
ASSI ( resid 120 and name hd# )
     ( resid 120 and name HN )
     6.0 0.1 0.1 peak 2097 volume 0.000e+00 ppm1 1.198 ppm2 8.539
ASSI ( resid 120 and name hg# )
     ( resid 120 and name HN )
     6.0 0.1 0.1 peak 2098 volume 0.000e+00 ppm1 1.264 ppm2 8.536
ASSI ( attr store1 < 1.27 and attr store1 > 1.23 )
     ( attr store1 < 8.401 and attr store1 > 8.361 )
     6.0 0.1 0.1 peak 2100 volume 0.000e+00 ppm1 1.250 ppm2 8.381
ASSI ( resid 82 and name HG3 )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 2102 volume 7.660e+02 ppm1 1.380 ppm2 8.026
ASSI ( resid 84 and name hd1# )
     ( resid 85 and name HN )
     6.0 0.1 0.1 peak 2104 volume 1.083e+03 ppm1 1.382 ppm2 8.196
ASSI ( attr store1 < 1.497 and attr store1 > 1.457 )
     ( attr store1 < 8.751 and attr store1 > 8.711 )
     6.0 0.1 0.1 peak 2105 volume 7.126e+03 ppm1 1.477 ppm2 8.731
ASSI ( attr store1 < 1.531 and attr store1 > 1.491 )
     ( attr store1 < 8.618 and attr store1 > 8.578 )
     6.0 0.1 0.1 peak 2107 volume 1.512e+03 ppm1 1.511 ppm2 8.598
ASSI ( resid 76 and name hg# )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 2110 volume 0.000e+00 ppm1 1.517 ppm2 8.247
ASSI ( resid 82 and name HG2 )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 2111 volume 9.000e+02 ppm1 1.506 ppm2 8.031
ASSI ( resid 120 and name HB3 )
     ( resid 120 and name HN )
     6.0 0.1 0.1 peak 2113 volume 0.000e+00 ppm1 1.610 ppm2 8.536
ASSI ( resid 82 and name HD3 )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 2115 volume 1.592e+03 ppm1 1.722 ppm2 8.033
ASSI ( attr store1 < 1.611 and attr store1 > 1.571 )
     ( attr store1 < 8.045 and attr store1 > 8.005 )
     6.0 0.1 0.1 peak 2116 volume 4.500e+02 ppm1 1.591 ppm2 8.025
ASSI ( resid 82 and name hb# )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 2118 volume 2.079e+03 ppm1 1.904 ppm2 8.033
ASSI ( resid 26 and name HG3 )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 2121 volume 0.000e+00 ppm1 2.007 ppm2 8.538
ASSI ( resid 26 and name HG2 )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 2122 volume 0.000e+00 ppm1 2.167 ppm2 8.538
ASSI ( attr store1 < 2.189 and attr store1 > 2.149 )
     ( attr store1 < 8.233 and attr store1 > 8.193 )
     6.0 0.1 0.1 peak 2123 volume 8.450e+02 ppm1 2.169 ppm2 8.213
ASSI ( attr store1 < 2.261 and attr store1 > 2.221 )
     ( attr store1 < 8.583 and attr store1 > 8.543 )
     6.0 0.1 0.1 peak 2125 volume 1.310e+03 ppm1 2.241 ppm2 8.563
ASSI ( attr store1 < 2.304 and attr store1 > 2.264 )
     ( attr store1 < 8.545 and attr store1 > 8.505 )
     6.0 0.1 0.1 peak 2126 volume 1.800e+02 ppm1 2.284 ppm2 8.525
ASSI ( attr store1 < 2.282 and attr store1 > 2.242 )
     ( attr store1 < 8.155 and attr store1 > 8.115 )
     6.0 0.1 0.1 peak 2127 volume 6.360e+02 ppm1 2.262 ppm2 8.135
ASSI ( resid 109 and name HB3 )
     ( resid 53 and name HN )
     6.0 0.1 0.1 peak 2131 volume 8.660e+02 ppm1 2.605 ppm2 8.149
ASSI ( resid 102 and name HB3 )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 2132 volume 1.672e+03 ppm1 2.424 ppm2 8.212
ASSI ( resid 102 and name HB3 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 2134 volume 6.740e+02 ppm1 2.427 ppm2 8.427
ASSI ( resid 26 and name hb# )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 2135 volume 0.000e+00 ppm1 2.472 ppm2 8.539
ASSI ( resid 96 and name HB3 )
     ( resid 97 and name HN )
     6.0 0.1 0.1 peak 2137 volume 0.000e+00 ppm1 2.650 ppm2 8.745
ASSI ( resid 119 and name HB2 )
     ( resid 120 and name HN )
     6.0 0.1 0.1 peak 2139 volume 0.000e+00 ppm1 2.676 ppm2 8.536
ASSI ( resid 119 and name HB3 )
     ( resid 120 and name HN )
     6.0 0.1 0.1 peak 2140 volume 0.000e+00 ppm1 2.576 ppm2 8.536
ASSI ( resid 47 and name HB2 )
     ( resid 48 and name HN )
     6.0 0.1 0.1 peak 2144 volume 0.000e+00 ppm1 2.915 ppm2 8.012
ASSI ( resid 117 and name HB3 )
     ( resid 118 and name HN )
     6.0 0.1 0.1 peak 2145 volume 0.000e+00 ppm1 3.031 ppm2 8.010
ASSI ( resid 51 and name HB2 )
     ( resid 111 and name HN )
     6.0 0.1 0.1 peak 2152 volume 3.870e+02 ppm1 3.332 ppm2 8.654
ASSI ( attr store1 < 3.433 and attr store1 > 3.393 )
     ( attr store1 < 8.675 and attr store1 > 8.635 )
     6.0 0.1 0.1 peak 2153 volume 0.000e+00 ppm1 3.413 ppm2 8.655
ASSI ( resid 52 and name HB3 )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 2154 volume 0.000e+00 ppm1 3.413 ppm2 8.596
ASSI ( attr store1 < 3.279 and attr store1 > 3.239 )
     ( attr store1 < 8.264 and attr store1 > 8.224 )
     6.0 0.1 0.1 peak 2157 volume 1.614e+03 ppm1 3.259 ppm2 8.244
ASSI ( resid 102 and name HB2 )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 2158 volume 2.518e+03 ppm1 3.308 ppm2 8.213
ASSI ( resid 27 and name HA2 )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 2159 volume 6.540e+02 ppm1 3.413 ppm2 8.215
ASSI ( resid 52 and name HB3 )
     ( resid 53 and name HN )
     6.0 0.1 0.1 peak 2160 volume 0.000e+00 ppm1 3.413 ppm2 8.145
ASSI ( resid 117 and name HB2 )
     ( resid 118 and name HN )
     6.0 0.1 0.1 peak 2162 volume 0.000e+00 ppm1 3.301 ppm2 8.011
ASSI ( resid 52 and name HB2 )
     ( resid 53 and name HN )
     6.0 0.1 0.1 peak 2176 volume 0.000e+00 ppm1 3.964 ppm2 8.147
ASSI ( attr store1 < 3.782 and attr store1 > 3.742 )
     ( attr store1 < 8.028 and attr store1 > 7.988 )
     6.0 0.1 0.1 peak 2178 volume 3.320e+02 ppm1 3.762 ppm2 8.008
ASSI ( attr store1 < 4.131 and attr store1 > 4.091 )
     ( attr store1 < 8.409 and attr store1 > 8.369 )
     6.0 0.1 0.1 peak 2180 volume 1.341e+03 ppm1 4.111 ppm2 8.389
ASSI ( resid 116 and name HA )
     ( resid 118 and name HN )
     6.0 0.1 0.1 peak 2182 volume 4.600e+02 ppm1 4.877 ppm2 8.009
ASSI ( resid 101 and name HA )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 2183 volume 3.240e+02 ppm1 4.883 ppm2 8.102
ASSI ( attr store1 < 4.9 and attr store1 > 4.86 )
     ( attr store1 < 8.237 and attr store1 > 8.197 )
     6.0 0.1 0.1 peak 2185 volume 3.810e+02 ppm1 4.880 ppm2 8.217
ASSI ( resid 102 and name HA )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 2186 volume 0.000e+00 ppm1 4.985 ppm2 8.213
ASSI ( resid 110 and name he# )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 2197 volume 1.419e+03 ppm1 6.313 ppm2 8.394
ASSI ( resid 66 and name HD22 )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 2199 volume 2.130e+02 ppm1 6.199 ppm2 8.165
ASSI ( resid 102 and name HD22 )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 2200 volume 1.140e+03 ppm1 6.579 ppm2 8.212
ASSI ( attr store1 < 6.676 and attr store1 > 6.636 )
     ( attr store1 < 8.212 and attr store1 > 8.172 )
     6.0 0.1 0.1 peak 2201 volume 5.290e+02 ppm1 6.656 ppm2 8.192
ASSI ( attr store1 < 6.626 and attr store1 > 6.586 )
     ( attr store1 < 8.174 and attr store1 > 8.134 )
     6.0 0.1 0.1 peak 2202 volume 3.570e+02 ppm1 6.606 ppm2 8.154
ASSI ( resid 98 and name HH2 )
     ( resid 48 and name HN )
     6.0 0.1 0.1 peak 2204 volume 1.120e+03 ppm1 6.656 ppm2 8.019
ASSI ( attr store1 < 6.604 and attr store1 > 6.564 )
     ( attr store1 < 8.042 and attr store1 > 8.002 )
     6.0 0.1 0.1 peak 2205 volume 3.950e+02 ppm1 6.584 ppm2 8.022
ASSI ( resid 47 and name hd# )
     ( resid 48 and name HN )
     6.0 0.1 0.1 peak 2206 volume 4.631e+03 ppm1 6.835 ppm2 8.012
ASSI ( attr store1 < 6.829 and attr store1 > 6.789 )
     ( attr store1 < 8.156 and attr store1 > 8.116 )
     6.0 0.1 0.1 peak 2208 volume 1.223e+03 ppm1 6.809 ppm2 8.136
ASSI ( attr store1 < 6.855 and attr store1 > 6.815 )
     ( attr store1 < 8.21 and attr store1 > 8.17 )
     6.0 0.1 0.1 peak 2209 volume 3.150e+02 ppm1 6.835 ppm2 8.190
ASSI ( resid 72 and name HE3 )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 2210 volume 0.000e+00 ppm1 7.008 ppm2 8.167
ASSI ( attr store1 < 6.858 and attr store1 > 6.818 )
     ( attr store1 < 8.378 and attr store1 > 8.338 )
     6.0 0.1 0.1 peak 2211 volume 5.000e+02 ppm1 6.838 ppm2 8.358
ASSI ( attr store1 < 6.979 and attr store1 > 6.939 )
     ( attr store1 < 8.367 and attr store1 > 8.327 )
     6.0 0.1 0.1 peak 2213 volume 2.130e+02 ppm1 6.959 ppm2 8.347
ASSI ( resid 54 and name HD22 )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 2214 volume 9.810e+02 ppm1 7.003 ppm2 8.282
ASSI ( attr store1 < 6.967 and attr store1 > 6.927 )
     ( attr store1 < 8.763 and attr store1 > 8.723 )
     6.0 0.1 0.1 peak 2215 volume 2.690e+02 ppm1 6.947 ppm2 8.743
ASSI ( resid 72 and name HE3 )
     ( resid 73 and name HN )
     6.0 0.1 0.1 peak 2216 volume 0.000e+00 ppm1 7.010 ppm2 8.680
ASSI ( resid 102 and name HD22 )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 2217 volume 3.950e+02 ppm1 6.581 ppm2 8.538
ASSI ( resid 110 and name hd# )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 2218 volume 5.260e+02 ppm1 6.502 ppm2 8.396
ASSI ( attr store1 < 6.589 and attr store1 > 6.549 )
     ( attr store1 < 8.376 and attr store1 > 8.336 )
     6.0 0.1 0.1 peak 2219 volume 2.410e+02 ppm1 6.569 ppm2 8.356
ASSI ( resid 23 and name HN )
     ( resid 110 and name HN )
     6.0 0.1 0.1 peak 2223 volume 7.498e+03 ppm1 7.057 ppm2 8.642
ASSI ( attr store1 < 7.158 and attr store1 > 7.118 )
     ( attr store1 < 8.628 and attr store1 > 8.588 )
     6.0 0.1 0.1 peak 2224 volume 0.000e+00 ppm1 7.138 ppm2 8.608
ASSI ( resid 102 and name HD21 )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 2225 volume 4.020e+02 ppm1 7.085 ppm2 8.536
ASSI ( resid 102 and name HD21 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 2227 volume 9.940e+02 ppm1 7.088 ppm2 8.427
ASSI ( resid 102 and name HD21 )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 2228 volume 1.105e+03 ppm1 7.086 ppm2 8.211
ASSI ( attr store1 < 7.207 and attr store1 > 7.167 )
     ( attr store1 < 8.036 and attr store1 > 7.996 )
     6.0 0.1 0.1 peak 2229 volume 8.010e+02 ppm1 7.187 ppm2 8.016
ASSI ( attr store1 < 7.219 and attr store1 > 7.179 )
     ( attr store1 < 8.373 and attr store1 > 8.333 )
     6.0 0.1 0.1 peak 2231 volume 4.050e+02 ppm1 7.199 ppm2 8.353
ASSI ( resid 51 and name HD2 )
     ( resid 113 and name HN )
     6.0 0.1 0.1 peak 2233 volume 6.790e+02 ppm1 7.288 ppm2 8.491
ASSI ( attr store1 < 7.555 and attr store1 > 7.515 )
     ( attr store1 < 8.165 and attr store1 > 8.125 )
     6.0 0.1 0.1 peak 2239 volume 2.220e+02 ppm1 7.535 ppm2 8.145
ASSI ( resid 82 and name HN )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 2240 volume 0.000e+00 ppm1 7.618 ppm2 8.033
ASSI ( resid 57 and name HN )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 2243 volume 6.050e+02 ppm1 7.336 ppm2 8.664
ASSI ( resid 113 and name HN )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 2247 volume 5.080e+03 ppm1 8.358 ppm2 8.493
ASSI ( attr store1 < 8.239 and attr store1 > 8.199 )
     ( attr store1 < 8.55 and attr store1 > 8.51 )
     6.0 0.1 0.1 peak 2248 volume 8.810e+02 ppm1 8.219 ppm2 8.530
ASSI ( attr store1 < 8.251 and attr store1 > 8.211 )
     ( attr store1 < 8.765 and attr store1 > 8.725 )
     6.0 0.1 0.1 peak 2250 volume 7.290e+02 ppm1 8.231 ppm2 8.745
ASSI ( resid 56 and name HN )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 2251 volume 3.850e+02 ppm1 8.283 ppm2 8.599
ASSI ( resid 82 and name HN )
     ( resid 80 and name HN )
     6.0 0.1 0.1 peak 2253 volume 1.950e+02 ppm1 7.611 ppm2 7.817
ASSI ( resid 59 and name HN )
     ( resid 80 and name HN )
     6.0 0.1 0.1 peak 2254 volume 6.280e+02 ppm1 7.265 ppm2 7.819
ASSI ( resid 103 and name HD21 )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 2255 volume 8.209e+03 ppm1 7.103 ppm2 7.914
ASSI ( attr store1 < 7.432 and attr store1 > 7.392 )
     ( attr store1 < 7.953 and attr store1 > 7.913 )
     6.0 0.1 0.1 peak 2257 volume 2.570e+02 ppm1 7.412 ppm2 7.933
ASSI ( resid 72 and name HE3 )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 2261 volume 0.000e+00 ppm1 7.011 ppm2 7.232
ASSI ( resid 66 and name HD22 )
     ( resid 71 and name HN )
     6.0 0.1 0.1 peak 2262 volume 8.310e+02 ppm1 6.199 ppm2 7.725
ASSI ( resid 66 and name HD22 )
     ( resid 72 and name HZ2 )
     6.0 0.1 0.1 peak 2264 volume 4.630e+02 ppm1 6.199 ppm2 7.448
ASSI ( resid 66 and name HD22 )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 2266 weight 0.100e+02 volume 5.210e+02 ppm1 6.195 ppm2 7.236
ASSI ( attr store1 < 6.74 and attr store1 > 6.7 )
     ( attr store1 < 7.269 and attr store1 > 7.229 )
     6.0 0.1 0.1 peak 2267 volume 9.200e+02 ppm1 6.720 ppm2 7.249
ASSI ( attr store1 < 6.596 and attr store1 > 6.556 )
     ( attr store1 < 7.933 and attr store1 > 7.893 )
     6.0 0.1 0.1 peak 2273 volume 2.110e+02 ppm1 6.576 ppm2 7.913
ASSI ( attr store1 < 6.632 and attr store1 > 6.592 )
     ( attr store1 < 7.634 and attr store1 > 7.594 )
     6.0 0.1 0.1 peak 2275 volume 3.290e+02 ppm1 6.612 ppm2 7.614
ASSI ( attr store1 < 5.057 and attr store1 > 5.017 )
     ( attr store1 < 7.546 and attr store1 > 7.506 )
     6.0 0.1 0.1 peak 2278 volume 0.000e+00 ppm1 5.037 ppm2 7.526
ASSI ( resid 64 and name HA )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 2279 volume 5.410e+02 ppm1 5.263 ppm2 7.464
ASSI ( resid 108 and name HA )
     ( resid 54 and name HD21 )
     6.0 0.1 0.1 peak 2280 volume 9.750e+02 ppm1 4.905 ppm2 7.454
ASSI ( resid 65 and name HA )
     ( resid 96 and name HE3 )
     6.0 0.1 0.1 peak 2282 volume 6.710e+02 ppm1 4.975 ppm2 7.319
ASSI ( attr store1 < 4.793 and attr store1 > 4.753 )
     ( attr store1 < 7.342 and attr store1 > 7.302 )
     6.0 0.1 0.1 peak 2283 volume 9.810e+02 ppm1 4.773 ppm2 7.322
ASSI ( resid 102 and name HA )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 2284 volume 1.917e+03 ppm1 4.981 ppm2 7.914
ASSI ( attr store1 < 4.371 and attr store1 > 4.331 )
     ( attr store1 < 7.933 and attr store1 > 7.893 )
     6.0 0.1 0.1 peak 2287 volume 5.650e+02 ppm1 4.351 ppm2 7.913
ASSI ( attr store1 < 4.357 and attr store1 > 4.317 )
     ( attr store1 < 7.745 and attr store1 > 7.705 )
     6.0 0.1 0.1 peak 2288 volume 3.390e+02 ppm1 4.337 ppm2 7.725
ASSI ( resid 69 and name HA2 )
     ( resid 70 and name HN )
     6.0 0.1 0.1 peak 2292 volume 9.960e+02 ppm1 3.506 ppm2 7.928
ASSI ( attr store1 < 3.652 and attr store1 > 3.612 )
     ( attr store1 < 7.939 and attr store1 > 7.899 )
     6.0 0.1 0.1 peak 2293 volume 3.310e+02 ppm1 3.632 ppm2 7.919
ASSI ( resid 79 and name HB2 )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 2300 volume 8.910e+02 ppm1 3.130 ppm2 7.615
ASSI ( resid 102 and name HB2 )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 2301 volume 4.330e+02 ppm1 3.311 ppm2 7.917
ASSI ( resid 102 and name HB3 )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 2305 volume 6.660e+02 ppm1 2.420 ppm2 7.916
ASSI ( resid 98 and name HB2 )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 2310 volume 0.000e+00 ppm1 2.980 ppm2 7.269
ASSI ( attr store1 < 2.546 and attr store1 > 2.506 )
     ( attr store1 < 7.215 and attr store1 > 7.175 )
     6.0 0.1 0.1 peak 2312 volume 2.200e+02 ppm1 2.526 ppm2 7.195
ASSI ( resid 96 and name HB2 )
     ( resid 96 and name HE3 )
     6.0 0.1 0.1 peak 2316 volume 0.000e+00 ppm1 2.899 ppm2 7.322
ASSI ( attr store1 < 2.051 and attr store1 > 2.011 )
     ( attr store1 < 7.473 and attr store1 > 7.433 )
     6.0 0.1 0.1 peak 2318 volume 1.530e+02 ppm1 2.031 ppm2 7.453
ASSI ( attr store1 < 1.898 and attr store1 > 1.858 )
     ( attr store1 < 7.287 and attr store1 > 7.247 )
     6.0 0.1 0.1 peak 2321 volume 3.080e+02 ppm1 1.878 ppm2 7.267
ASSI ( attr store1 < 1.997 and attr store1 > 1.957 )
     ( attr store1 < 7.938 and attr store1 > 7.898 )
     6.0 0.1 0.1 peak 2322 volume 2.920e+02 ppm1 1.977 ppm2 7.918
ASSI ( resid 80 and name HB )
     ( resid 80 and name HN )
     6.0 0.1 0.1 peak 2324 volume 0.000e+00 ppm1 1.765 ppm2 7.818
ASSI ( attr store1 < 1.412 and attr store1 > 1.372 )
     ( attr store1 < 7.925 and attr store1 > 7.885 )
     6.0 0.1 0.1 peak 2328 volume 6.290e+02 ppm1 1.392 ppm2 7.905
ASSI ( resid 63 and name HB3 )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 2331 volume 5.870e+02 ppm1 1.330 ppm2 7.464
ASSI ( attr store1 < 1.348 and attr store1 > 1.308 )
     ( attr store1 < 7.341 and attr store1 > 7.301 )
     6.0 0.1 0.1 peak 2333 volume 2.930e+02 ppm1 1.328 ppm2 7.321
ASSI ( attr store1 < 1.212 and attr store1 > 1.172 )
     ( attr store1 < 7.483 and attr store1 > 7.443 )
     6.0 0.1 0.1 peak 2334 volume 3.490e+02 ppm1 1.192 ppm2 7.463
ASSI ( resid 63 and name HB3 )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 2335 volume 1.372e+04 ppm1 1.333 ppm2 7.266
ASSI ( resid 46 and name HB3 )
     ( resid 98 and name HZ2 )
     6.0 0.1 0.1 peak 2336 volume 1.415e+03 ppm1 1.382 ppm2 7.191
ASSI ( resid 46 and name HB2 )
     ( resid 98 and name HZ2 )
     6.0 0.1 0.1 peak 2337 volume 9.000e+02 ppm1 1.508 ppm2 7.192
ASSI ( attr store1 < 1.519 and attr store1 > 1.479 )
     ( attr store1 < 7.288 and attr store1 > 7.248 )
     6.0 0.1 0.1 peak 2338 volume 2.550e+03 ppm1 1.499 ppm2 7.268
ASSI ( attr store1 < 1.657 and attr store1 > 1.617 )
     ( attr store1 < 7.341 and attr store1 > 7.301 )
     6.0 0.1 0.1 peak 2342 volume 4.150e+02 ppm1 1.637 ppm2 7.321
ASSI ( attr store1 < 1.785 and attr store1 > 1.745 )
     ( attr store1 < 7.284 and attr store1 > 7.244 )
     6.0 0.1 0.1 peak 2343 volume 1.741e+03 ppm1 1.765 ppm2 7.264
ASSI ( resid 75 and name HB )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 2344 volume 0.000e+00 ppm1 1.584 ppm2 7.462
ASSI ( resid 80 and name hg1# )
     ( resid 80 and name HN )
     6.0 0.1 0.1 peak 2346 volume 0.000e+00 ppm1 1.061 ppm2 7.818
ASSI ( resid 80 and name hg2# )
     ( resid 80 and name HN )
     6.0 0.1 0.1 peak 2347 volume 0.000e+00 ppm1 0.888 ppm2 7.818
ASSI ( resid 55 and name hg# )
     ( resid 56 and name HD21 )
     6.0 0.1 0.1 peak 2348 volume 1.866e+03 ppm1 1.027 ppm2 7.703
ASSI ( attr store1 < 1.074 and attr store1 > 1.034 )
     ( attr store1 < 7.643 and attr store1 > 7.603 )
     6.0 0.1 0.1 peak 2349 volume 2.880e+02 ppm1 1.054 ppm2 7.623
ASSI ( attr store1 < 0.747 and attr store1 > 0.707 )
     ( attr store1 < 7.836 and attr store1 > 7.796 )
     6.0 0.1 0.1 peak 2351 volume 2.920e+02 ppm1 0.727 ppm2 7.816
ASSI ( attr store1 < 0.783 and attr store1 > 0.743 )
     ( attr store1 < 7.636 and attr store1 > 7.596 )
     6.0 0.1 0.1 peak 2353 volume 2.140e+02 ppm1 0.763 ppm2 7.616
ASSI ( resid 114 and name hb# )
     ( resid 98 and name HZ2 )
     6.0 0.1 0.1 peak 2354 volume 0.000e+00 ppm1 1.137 ppm2 7.192
ASSI ( attr store1 < 1.073 and attr store1 > 1.033 )
     ( attr store1 < 7.284 and attr store1 > 7.244 )
     6.0 0.1 0.1 peak 2355 volume 2.667e+03 ppm1 1.053 ppm2 7.264
ASSI ( resid 62 and name hg2# )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 2358 volume 1.120e+03 ppm1 0.862 ppm2 7.464
ASSI ( resid 61 and name hd1# )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 2360 volume 9.169e+03 ppm1 0.904 ppm2 7.268
ASSI ( resid 131 and name hg1# )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 2361 weight 0.100e+02 volume 2.486e+03 ppm1 0.849 ppm2 7.236
ASSI ( attr store1 < 0.927 and attr store1 > 0.887 )
     ( attr store1 < 7.216 and attr store1 > 7.176 )
     6.0 0.1 0.1 peak 2362 volume 0.000e+00 ppm1 0.907 ppm2 7.196
ASSI ( resid 24 and name hg2# )
     ( resid 109 and name HD21 )
     6.0 0.1 0.1 peak 2365 volume 4.290e+02 ppm1 1.076 ppm2 7.524
ASSI ( resid 63 and name HG )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 2366 volume 0.000e+00 ppm1 1.053 ppm2 7.465
ASSI ( resid 131 and name hg2# )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 2368 weight 0.100e+02 volume 1.107e+03 ppm1 0.748 ppm2 7.235
ASSI ( resid 49 and name hg1# )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 2369 volume 0.000e+00 ppm1 0.754 ppm2 7.288
ASSI ( resid 49 and name hg2# )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 2375 volume 0.000e+00 ppm1 0.471 ppm2 7.288
ASSI ( resid 64 and name hd1# )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 2377 volume 3.230e+02 ppm1 0.659 ppm2 7.463
ASSI ( resid 97 and name hg1# )
     ( resid 72 and name HZ2 )
     6.0 0.1 0.1 peak 2378 volume 2.640e+02 ppm1 0.423 ppm2 7.446
ASSI ( attr store1 < -0.168 and attr store1 > -0.208 )
     ( attr store1 < 7.477 and attr store1 > 7.437 )
     6.0 0.1 0.1 peak 2382 volume 2.100e+02 ppm1 -0.188 ppm2 7.457
ASSI ( attr store1 < -0.293 and attr store1 > -0.333 )
     ( attr store1 < 6.74 and attr store1 > 6.7 )
     6.0 0.1 0.1 peak 2385 volume 4.200e+02 ppm1 -0.313 ppm2 6.720
ASSI ( resid 112 and name hd2# )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 2388 volume 2.949e+04 ppm1 0.444 ppm2 7.137
ASSI ( resid 112 and name hd1# )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 2389 volume 3.261e+04 ppm1 0.501 ppm2 7.137
ASSI ( attr store1 < 0.593 and attr store1 > 0.553 )
     ( attr store1 < 7.098 and attr store1 > 7.058 )
     6.0 0.1 0.1 peak 2390 volume 4.400e+02 ppm1 0.573 ppm2 7.078
ASSI ( resid 64 and name hd2# )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 2391 volume 1.682e+03 ppm1 0.552 ppm2 7.003
ASSI ( resid 97 and name hg1# )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 2393 volume 4.460e+02 ppm1 0.419 ppm2 7.004
ASSI ( attr store1 < 0.557 and attr store1 > 0.517 )
     ( attr store1 < 6.861 and attr store1 > 6.821 )
     6.0 0.1 0.1 peak 2396 volume 3.329e+03 ppm1 0.537 ppm2 6.841
ASSI ( resid 112 and name hd2# )
     ( resid 21 and name he# )
     6.0 0.1 0.1 peak 2397 volume 6.492e+03 ppm1 0.444 ppm2 6.806
ASSI ( resid 112 and name hd2# )
     ( resid 98 and name HD1 )
     6.0 0.1 0.1 peak 2399 volume 2.084e+03 ppm1 0.445 ppm2 6.723
ASSI ( attr store1 < 0.615 and attr store1 > 0.575 )
     ( attr store1 < 6.675 and attr store1 > 6.635 )
     6.0 0.1 0.1 peak 2401 volume 6.300e+02 ppm1 0.595 ppm2 6.655
ASSI ( resid 25 and name hd1# )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 2402 volume 7.280e+02 ppm1 0.577 ppm2 6.571
ASSI ( resid 49 and name hg2# )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 2403 volume 3.973e+03 ppm1 0.472 ppm2 6.567
ASSI ( resid 100 and name hg2# )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2404 volume 2.439e+03 ppm1 0.465 ppm2 6.497
ASSI ( attr store1 < 0.599 and attr store1 > 0.559 )
     ( attr store1 < 6.517 and attr store1 > 6.477 )
     6.0 0.1 0.1 peak 2405 volume 2.803e+03 ppm1 0.579 ppm2 6.497
ASSI ( attr store1 < 0.725 and attr store1 > 0.685 )
     ( attr store1 < 7.153 and attr store1 > 7.113 )
     6.0 0.1 0.1 peak 2406 volume 3.570e+02 ppm1 0.705 ppm2 7.133
ASSI ( resid 64 and name hd1# )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 2407 volume 1.249e+03 ppm1 0.670 ppm2 7.003
ASSI ( resid 131 and name hg2# )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 2408 weight 0.100e+02 volume 3.460e+02 ppm1 0.750 ppm2 7.001
ASSI ( resid 131 and name hg1# )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 2410 weight 0.100e+02 volume 4.080e+02 ppm1 0.852 ppm2 7.004
ASSI ( resid 49 and name hg1# )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 2414 volume 4.561e+03 ppm1 0.751 ppm2 6.567
ASSI ( resid 31 and name hg2# )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2415 weight 0.100e+02 volume 2.009e+03 ppm1 0.705 ppm2 6.498
ASSI ( resid 31 and name hg1# )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2416 weight 0.100e+02 volume 0.000e+00 ppm1 0.900 ppm2 6.498
ASSI ( resid 25 and name hg2# )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2417 volume 1.984e+04 ppm1 1.064 ppm2 6.497
ASSI ( resid 25 and name hg1# )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2418 volume 5.028e+03 ppm1 1.155 ppm2 6.496
ASSI ( resid 100 and name HB )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2419 volume 9.340e+02 ppm1 1.345 ppm2 6.498
ASSI ( resid 53 and name hg2# )
     ( resid 109 and name HD22 )
     6.0 0.1 0.1 peak 2422 volume 5.260e+02 ppm1 1.180 ppm2 6.605
ASSI ( resid 22 and name hg2# )
     ( resid 109 and name HD22 )
     6.0 0.1 0.1 peak 2423 volume 1.397e+03 ppm1 1.076 ppm2 6.605
ASSI ( attr store1 < 0.925 and attr store1 > 0.885 )
     ( attr store1 < 6.617 and attr store1 > 6.577 )
     6.0 0.1 0.1 peak 2424 volume 9.810e+02 ppm1 0.905 ppm2 6.597
ASSI ( attr store1 < 1.173 and attr store1 > 1.133 )
     ( attr store1 < 6.677 and attr store1 > 6.637 )
     6.0 0.1 0.1 peak 2427 volume 2.060e+02 ppm1 1.153 ppm2 6.657
ASSI ( attr store1 < 0.922 and attr store1 > 0.882 )
     ( attr store1 < 6.743 and attr store1 > 6.703 )
     6.0 0.1 0.1 peak 2428 volume 1.263e+03 ppm1 0.902 ppm2 6.723
ASSI ( attr store1 < 1.022 and attr store1 > 0.982 )
     ( attr store1 < 6.725 and attr store1 > 6.685 )
     6.0 0.1 0.1 peak 2430 volume 1.963e+03 ppm1 1.002 ppm2 6.705
ASSI ( resid 125 and name hg1# )
     ( resid 21 and name he# )
     6.0 0.1 0.1 peak 2432 volume 2.147e+03 ppm1 1.043 ppm2 6.807
ASSI ( resid 55 and name hg# )
     ( resid 56 and name HD22 )
     6.0 0.1 0.1 peak 2433 volume 2.425e+03 ppm1 1.027 ppm2 6.907
ASSI ( attr store1 < 1.028 and attr store1 > 0.988 )
     ( attr store1 < 7.023 and attr store1 > 6.983 )
     6.0 0.1 0.1 peak 2436 volume 8.730e+02 ppm1 1.008 ppm2 7.003
ASSI ( resid 22 and name hg2# )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 2438 volume 7.048e+03 ppm1 1.081 ppm2 7.051
ASSI ( resid 125 and name hg2# )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 2439 volume 6.680e+02 ppm1 0.925 ppm2 7.138
ASSI ( resid 125 and name hg1# )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 2440 volume 3.116e+03 ppm1 1.043 ppm2 7.138
ASSI ( resid 114 and name hb# )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 2441 volume 3.516e+03 ppm1 1.143 ppm2 7.136
ASSI ( attr store1 < 1.294 and attr store1 > 1.254 )
     ( attr store1 < 7.154 and attr store1 > 7.114 )
     6.0 0.1 0.1 peak 2442 volume 2.215e+03 ppm1 1.274 ppm2 7.134
ASSI ( resid 64 and name HG )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 2446 volume 3.398e+03 ppm1 1.421 ppm2 7.004
ASSI ( resid 64 and name HB3 )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 2447 volume 1.239e+03 ppm1 1.528 ppm2 7.002
ASSI ( resid 97 and name HB )
     ( resid 72 and name HH2 )
     6.0 0.1 0.1 peak 2449 volume 1.137e+03 ppm1 1.253 ppm2 6.946
ASSI ( resid 85 and name hg# )
     ( resid 47 and name hd# )
     6.0 0.1 0.1 peak 2450 volume 4.584e+03 ppm1 1.461 ppm2 6.834
ASSI ( resid 115 and name hg2# )
     ( resid 47 and name hd# )
     6.0 0.1 0.1 peak 2451 volume 5.077e+03 ppm1 1.335 ppm2 6.835
ASSI ( attr store1 < 1.291 and attr store1 > 1.251 )
     ( attr store1 < 6.827 and attr store1 > 6.787 )
     6.0 0.1 0.1 peak 2452 volume 4.556e+03 ppm1 1.271 ppm2 6.807
ASSI ( attr store1 < 1.179 and attr store1 > 1.139 )
     ( attr store1 < 6.826 and attr store1 > 6.786 )
     6.0 0.1 0.1 peak 2453 volume 4.902e+03 ppm1 1.159 ppm2 6.806
ASSI ( resid 114 and name hb# )
     ( resid 98 and name HD1 )
     6.0 0.1 0.1 peak 2455 volume 1.397e+03 ppm1 1.142 ppm2 6.726
ASSI ( resid 97 and name HB )
     ( resid 72 and name HZ3 )
     6.0 0.1 0.1 peak 2456 volume 8.500e+02 ppm1 1.251 ppm2 6.705
ASSI ( attr store1 < 1.436 and attr store1 > 1.396 )
     ( attr store1 < 6.738 and attr store1 > 6.698 )
     6.0 0.1 0.1 peak 2457 volume 3.712e+03 ppm1 1.416 ppm2 6.718
ASSI ( resid 46 and name HB3 )
     ( resid 98 and name HH2 )
     6.0 0.1 0.1 peak 2458 volume 2.442e+03 ppm1 1.383 ppm2 6.657
ASSI ( resid 46 and name HB2 )
     ( resid 98 and name HH2 )
     6.0 0.1 0.1 peak 2459 volume 1.347e+03 ppm1 1.512 ppm2 6.658
ASSI ( resid 115 and name hg2# )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 2460 volume 6.440e+02 ppm1 1.336 ppm2 6.566
ASSI ( resid 82 and name HG3 )
     ( resid 78 and name HD22 )
     6.0 0.1 0.1 peak 2461 volume 0.000e+00 ppm1 1.379 ppm2 6.606
ASSI ( resid 85 and name hg# )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 2462 volume 1.092e+03 ppm1 1.459 ppm2 6.566
ASSI ( resid 25 and name HB )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2465 volume 1.452e+04 ppm1 1.565 ppm2 6.498
ASSI ( attr store1 < 1.605 and attr store1 > 1.565 )
     ( attr store1 < 6.59 and attr store1 > 6.55 )
     6.0 0.1 0.1 peak 2468 volume 2.040e+03 ppm1 1.585 ppm2 6.570
ASSI ( attr store1 < 1.638 and attr store1 > 1.598 )
     ( attr store1 < 6.675 and attr store1 > 6.635 )
     6.0 0.1 0.1 peak 2469 volume 0.000e+00 ppm1 1.618 ppm2 6.655
ASSI ( resid 82 and name HD3 )
     ( resid 78 and name HD21 )
     6.0 0.1 0.1 peak 2471 volume 1.574e+03 ppm1 1.722 ppm2 6.654
ASSI ( attr store1 < 1.75 and attr store1 > 1.71 )
     ( attr store1 < 6.587 and attr store1 > 6.547 )
     6.0 0.1 0.1 peak 2472 volume 7.601e+03 ppm1 1.730 ppm2 6.567
ASSI ( attr store1 < 1.731 and attr store1 > 1.691 )
     ( attr store1 < 6.855 and attr store1 > 6.815 )
     6.0 0.1 0.1 peak 2473 volume 3.309e+03 ppm1 1.711 ppm2 6.835
ASSI ( resid 85 and name hb# )
     ( resid 47 and name hd# )
     6.0 0.1 0.1 peak 2474 volume 4.289e+03 ppm1 1.891 ppm2 6.837
ASSI ( attr store1 < 1.981 and attr store1 > 1.941 )
     ( attr store1 < 6.86 and attr store1 > 6.82 )
     6.0 0.1 0.1 peak 2475 volume 2.278e+03 ppm1 1.961 ppm2 6.840
ASSI ( attr store1 < 2.131 and attr store1 > 2.091 )
     ( attr store1 < 6.823 and attr store1 > 6.783 )
     6.0 0.1 0.1 peak 2477 volume 0.000e+00 ppm1 2.111 ppm2 6.803
ASSI ( attr store1 < 2.116 and attr store1 > 2.076 )
     ( attr store1 < 6.752 and attr store1 > 6.712 )
     6.0 0.1 0.1 peak 2478 volume 1.970e+02 ppm1 2.096 ppm2 6.732
ASSI ( resid 82 and name hb# )
     ( resid 78 and name HD21 )
     6.0 0.1 0.1 peak 2480 volume 1.903e+03 ppm1 1.907 ppm2 6.655
ASSI ( resid 83 and name HB3 )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 2481 volume 2.542e+03 ppm1 2.026 ppm2 6.567
ASSI ( resid 83 and name HB2 )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 2482 volume 7.240e+02 ppm1 2.195 ppm2 6.568
ASSI ( attr store1 < 2.101 and attr store1 > 2.061 )
     ( attr store1 < 6.517 and attr store1 > 6.477 )
     6.0 0.1 0.1 peak 2483 volume 1.897e+03 ppm1 2.081 ppm2 6.497
ASSI ( resid 82 and name hb# )
     ( resid 78 and name HD22 )
     6.0 0.1 0.1 peak 2484 volume 1.409e+03 ppm1 1.909 ppm2 6.604
ASSI ( resid 112 and name HB2 )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 2486 volume 1.815e+03 ppm1 2.121 ppm2 7.137
ASSI ( attr store1 < 2.089 and attr store1 > 2.049 )
     ( attr store1 < 7.102 and attr store1 > 7.062 )
     6.0 0.1 0.1 peak 2487 volume 3.230e+02 ppm1 2.069 ppm2 7.082
ASSI ( resid 64 and name HB2 )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 2490 volume 2.275e+03 ppm1 1.909 ppm2 7.004
ASSI ( attr store1 < 1.939 and attr store1 > 1.899 )
     ( attr store1 < 6.986 and attr store1 > 6.946 )
     6.0 0.1 0.1 peak 2491 volume 1.073e+03 ppm1 1.919 ppm2 6.966
ASSI ( attr store1 < 2.214 and attr store1 > 2.174 )
     ( attr store1 < 6.934 and attr store1 > 6.894 )
     6.0 0.1 0.1 peak 2494 volume 1.900e+02 ppm1 2.194 ppm2 6.914
ASSI ( attr store1 < 2.545 and attr store1 > 2.505 )
     ( attr store1 < 7.121 and attr store1 > 7.081 )
     6.0 0.1 0.1 peak 2496 volume 6.270e+02 ppm1 2.525 ppm2 7.101
ASSI ( resid 86 and name HB3 )
     ( resid 86 and name he# )
     6.0 0.1 0.1 peak 2499 volume 0.000e+00 ppm1 2.319 ppm2 6.658
ASSI ( resid 50 and name HA )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2501 volume 3.100e+02 ppm1 4.782 ppm2 6.497
ASSI ( resid 22 and name HA )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2502 volume 4.146e+03 ppm1 4.953 ppm2 6.496
ASSI ( resid 24 and name HA )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2503 volume 9.633e+03 ppm1 5.033 ppm2 6.498
ASSI ( resid 111 and name HA )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2504 volume 2.847e+03 ppm1 5.129 ppm2 6.496
ASSI ( resid 109 and name HA )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2505 volume 4.144e+03 ppm1 5.287 ppm2 6.497
ASSI ( resid 114 and name HA )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 2506 volume 6.430e+02 ppm1 5.278 ppm2 6.567
ASSI ( resid 65 and name HA )
     ( resid 72 and name HZ3 )
     6.0 0.1 0.1 peak 2508 volume 1.976e+03 ppm1 4.979 ppm2 6.704
ASSI ( resid 114 and name HA )
     ( resid 47 and name hd# )
     6.0 0.1 0.1 peak 2509 volume 1.099e+03 ppm1 5.284 ppm2 6.836
ASSI ( attr store1 < 5.232 and attr store1 > 5.192 )
     ( attr store1 < 6.859 and attr store1 > 6.819 )
     6.0 0.1 0.1 peak 2510 volume 0.000e+00 ppm1 5.212 ppm2 6.839
ASSI ( attr store1 < 4.996 and attr store1 > 4.956 )
     ( attr store1 < 6.968 and attr store1 > 6.928 )
     6.0 0.1 0.1 peak 2513 volume 2.660e+02 ppm1 4.976 ppm2 6.948
ASSI ( resid 110 and name he# )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 2516 volume 8.099e+03 ppm1 6.318 ppm2 7.049
ASSI ( resid 110 and name he# )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 2517 volume 6.373e+03 ppm1 6.315 ppm2 7.135
ASSI ( resid 110 and name hd# )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 2518 volume 1.193e+04 ppm1 6.505 ppm2 7.050
ASSI ( resid 110 and name hd# )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 2519 volume 1.513e+03 ppm1 6.500 ppm2 7.134
ASSI ( resid 21 and name he# )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 2522 volume 0.000e+00 ppm1 6.808 ppm2 7.138
ASSI ( attr store1 < 6.925 and attr store1 > 6.885 )
     ( attr store1 < 7.127 and attr store1 > 7.087 )
     6.0 0.1 0.1 peak 2524 volume 6.300e+02 ppm1 6.905 ppm2 7.107
ASSI ( resid 72 and name HZ3 )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 2526 volume 0.000e+00 ppm1 6.704 ppm2 7.006
ASSI ( resid 109 and name HA )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 2529 volume 1.125e+03 ppm1 5.288 ppm2 6.311
ASSI ( resid 111 and name HA )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 2532 volume 1.052e+03 ppm1 5.128 ppm2 6.311
ASSI ( resid 24 and name HA )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 2533 volume 2.450e+03 ppm1 5.033 ppm2 6.311
ASSI ( resid 22 and name HA )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 2534 volume 3.299e+03 ppm1 4.957 ppm2 6.312
ASSI ( resid 25 and name HA )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 2536 volume 1.224e+03 ppm1 4.675 ppm2 6.311
ASSI ( resid 70 and name HA )
     ( resid 66 and name HD22 )
     6.0 0.1 0.1 peak 2540 weight 0.100e+02 volume 1.610e+03 ppm1 4.583 ppm2 6.197
ASSI ( resid 112 and name hd1# )
     ( resid 48 and name hb# )
     6.0 0.1 0.1 peak 2548 volume 8.374e+04 ppm1 0.496 ppm2 -0.032
ASSI ( resid 61 and name hd2# )
     ( resid 48 and name hb# )
     6.0 0.1 0.1 peak 2549 volume 5.905e+03 ppm1 0.595 ppm2 -0.032
ASSI ( attr store1 < 0.561 and attr store1 > 0.521 )
     ( attr store1 < -0.174 and attr store1 > -0.214 )
     6.0 0.1 0.1 peak 2552 volume 1.955e+03 ppm1 0.541 ppm2 -0.194
ASSI ( attr store1 < 0.61 and attr store1 > 0.57 )
     ( attr store1 < -0.176 and attr store1 > -0.216 )
     6.0 0.1 0.1 peak 2553 volume 3.800e+02 ppm1 0.590 ppm2 -0.196
ASSI ( attr store1 < 0.769 and attr store1 > 0.729 )
     ( attr store1 < -0.013 and attr store1 > -0.053 )
     6.0 0.1 0.1 peak 2556 volume 5.140e+02 ppm1 0.749 ppm2 -0.033
ASSI ( resid 33 and name HG13 )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 2557 volume 4.749e+03 ppm1 0.707 ppm2 0.123
ASSI ( resid 64 and name hd2# )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 2560 volume 1.676e+03 ppm1 0.550 ppm2 -0.537
ASSI ( resid 131 and name hg2# )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 2561 volume 3.732e+03 ppm1 0.745 ppm2 -0.536
ASSI ( attr store1 < 0.872 and attr store1 > 0.832 )
     ( attr store1 < -0.176 and attr store1 > -0.216 )
     6.0 0.1 0.1 peak 2569 volume 3.260e+02 ppm1 0.852 ppm2 -0.196
ASSI ( attr store1 < 0.924 and attr store1 > 0.884 )
     ( attr store1 < -0.173 and attr store1 > -0.213 )
     6.0 0.1 0.1 peak 2570 volume 1.727e+03 ppm1 0.904 ppm2 -0.193
ASSI ( resid 61 and name hd1# )
     ( resid 48 and name hb# )
     6.0 0.1 0.1 peak 2573 volume 2.201e+03 ppm1 0.901 ppm2 -0.032
ASSI ( resid 114 and name hb# )
     ( resid 48 and name hb# )
     6.0 0.1 0.1 peak 2574 volume 9.464e+03 ppm1 1.141 ppm2 -0.033
ASSI ( attr store1 < 1.098 and attr store1 > 1.058 )
     ( attr store1 < -0.013 and attr store1 > -0.053 )
     6.0 0.1 0.1 peak 2575 volume 1.732e+03 ppm1 1.078 ppm2 -0.033
ASSI ( attr store1 < 1.039 and attr store1 > 0.999 )
     ( attr store1 < 0.141 and attr store1 > 0.101 )
     6.0 0.1 0.1 peak 2576 volume 5.005e+03 ppm1 1.019 ppm2 0.121
ASSI ( resid 125 and name hg2# )
     ( resid 33 and name hg2# )
     6.0 0.1 0.1 peak 2578 volume 4.750e+02 ppm1 0.926 ppm2 0.182
ASSI ( resid 125 and name hg1# )
     ( resid 33 and name hg2# )
     6.0 0.1 0.1 peak 2579 volume 1.566e+03 ppm1 1.040 ppm2 0.182
ASSI ( attr store1 < 1.163 and attr store1 > 1.123 )
     ( attr store1 < 0.198 and attr store1 > 0.158 )
     6.0 0.1 0.1 peak 2580 volume 6.850e+02 ppm1 1.143 ppm2 0.178
ASSI ( resid 112 and name HG )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 2581 volume 4.445e+03 ppm1 1.151 ppm2 0.121
ASSI ( attr store1 < 1.488 and attr store1 > 1.448 )
     ( attr store1 < 0.144 and attr store1 > 0.104 )
     6.0 0.1 0.1 peak 2587 volume 0.000e+00 ppm1 1.468 ppm2 0.124
ASSI ( attr store1 < 1.396 and attr store1 > 1.356 )
     ( attr store1 < -0.013 and attr store1 > -0.053 )
     6.0 0.1 0.1 peak 2588 volume 4.970e+02 ppm1 1.376 ppm2 -0.033
ASSI ( attr store1 < 1.511 and attr store1 > 1.471 )
     ( attr store1 < -0.013 and attr store1 > -0.053 )
     6.0 0.1 0.1 peak 2589 volume 3.140e+02 ppm1 1.491 ppm2 -0.033
ASSI ( attr store1 < 1.593 and attr store1 > 1.553 )
     ( attr store1 < 0.142 and attr store1 > 0.102 )
     6.0 0.1 0.1 peak 2591 volume 1.737e+03 ppm1 1.573 ppm2 0.122
ASSI ( resid 67 and name HB )
     ( resid 67 and name hg1# )
     6.0 0.1 0.1 peak 2593 volume 0.000e+00 ppm1 1.613 ppm2 0.043
ASSI ( resid 67 and name HB )
     ( resid 67 and name hg2# )
     6.0 0.1 0.1 peak 2594 volume 0.000e+00 ppm1 1.613 ppm2 -0.022
ASSI ( attr store1 < 1.905 and attr store1 > 1.865 )
     ( attr store1 < -0.012 and attr store1 > -0.052 )
     6.0 0.1 0.1 peak 2595 volume 5.340e+02 ppm1 1.885 ppm2 -0.032
ASSI ( resid 112 and name HB2 )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 2596 volume 1.066e+03 ppm1 2.109 ppm2 0.123
ASSI ( resid 125 and name HB )
     ( resid 33 and name hg2# )
     6.0 0.1 0.1 peak 2599 volume 6.670e+02 ppm1 2.246 ppm2 0.180
ASSI ( resid 76 and name HB2 )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 2600 volume 4.120e+02 ppm1 1.893 ppm2 -0.193
ASSI ( resid 76 and name HB3 )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 2601 volume 1.980e+02 ppm1 1.792 ppm2 -0.195
ASSI ( resid 76 and name hg# )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 2602 volume 5.810e+02 ppm1 1.515 ppm2 -0.193
ASSI ( resid 64 and name HG )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 2606 volume 6.000e+02 ppm1 1.413 ppm2 -0.536
ASSI ( resid 64 and name HB2 )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 2610 volume 8.820e+02 ppm1 1.914 ppm2 -0.533
ASSI ( resid 86 and name HB3 )
     ( resid 46 and name hd1# )
     6.0 0.1 0.1 peak 2612 volume 1.020e+03 ppm1 2.322 ppm2 -0.116
ASSI ( resid 86 and name HB3 )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 2615 volume 2.560e+02 ppm1 2.324 ppm2 -0.190
ASSI ( resid 86 and name HB3 )
     ( resid 46 and name hd2# )
     6.0 0.1 0.1 peak 2616 volume 2.600e+02 ppm1 2.327 ppm2 -0.320
ASSI ( resid 32 and name HB3 )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 2618 volume 5.040e+02 ppm1 2.718 ppm2 -0.536
ASSI ( resid 32 and name HB2 )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 2619 volume 9.260e+02 ppm1 2.850 ppm2 -0.537
ASSI ( resid 96 and name HB2 )
     ( resid 46 and name hd2# )
     6.0 0.1 0.1 peak 2623 volume 0.000e+00 ppm1 2.901 ppm2 -0.313
ASSI ( resid 86 and name HB2 )
     ( resid 46 and name hd2# )
     6.0 0.1 0.1 peak 2624 volume 4.660e+02 ppm1 2.647 ppm2 -0.314
ASSI ( resid 96 and name HB3 )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 2625 volume 2.008e+03 ppm1 2.649 ppm2 -0.194
ASSI ( resid 86 and name HB2 )
     ( resid 46 and name hd1# )
     6.0 0.1 0.1 peak 2626 volume 1.056e+03 ppm1 2.647 ppm2 -0.115
ASSI ( resid 96 and name HB2 )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 2628 volume 1.914e+03 ppm1 2.903 ppm2 -0.194
ASSI ( resid 96 and name HB2 )
     ( resid 46 and name hd1# )
     6.0 0.1 0.1 peak 2629 volume 0.000e+00 ppm1 2.903 ppm2 -0.118
ASSI ( resid 110 and name HB3 )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 2631 volume 8.134e+03 ppm1 2.571 ppm2 0.122
ASSI ( attr store1 < 2.867 and attr store1 > 2.827 )
     ( attr store1 < 0.2 and attr store1 > 0.16 )
     6.0 0.1 0.1 peak 2632 volume 7.060e+02 ppm1 2.847 ppm2 0.180
ASSI ( attr store1 < 2.874 and attr store1 > 2.834 )
     ( attr store1 < 0.145 and attr store1 > 0.105 )
     6.0 0.1 0.1 peak 2633 volume 2.840e+02 ppm1 2.854 ppm2 0.125
ASSI ( attr store1 < 3.043 and attr store1 > 3.003 )
     ( attr store1 < 0.201 and attr store1 > 0.161 )
     6.0 0.1 0.1 peak 2635 volume 1.588e+03 ppm1 3.023 ppm2 0.181
ASSI ( resid 125 and name HA )
     ( resid 33 and name hg2# )
     6.0 0.1 0.1 peak 2639 volume 8.930e+02 ppm1 4.077 ppm2 0.183
ASSI ( resid 67 and name HA )
     ( resid 67 and name hg1# )
     6.0 0.1 0.1 peak 2641 volume 0.000e+00 ppm1 4.337 ppm2 0.043
ASSI ( attr store1 < 4.32 and attr store1 > 4.28 )
     ( attr store1 < -0.515 and attr store1 > -0.555 )
     6.0 0.1 0.1 peak 2644 volume 4.660e+02 ppm1 4.300 ppm2 -0.535
ASSI ( attr store1 < 4.502 and attr store1 > 4.462 )
     ( attr store1 < -0.518 and attr store1 > -0.558 )
     6.0 0.1 0.1 peak 2645 volume 6.550e+02 ppm1 4.482 ppm2 -0.538
ASSI ( attr store1 < 4.498 and attr store1 > 4.458 )
     ( attr store1 < -0.297 and attr store1 > -0.337 )
     6.0 0.1 0.1 peak 2646 volume 7.770e+02 ppm1 4.478 ppm2 -0.317
ASSI ( attr store1 < 4.498 and attr store1 > 4.458 )
     ( attr store1 < -0.096 and attr store1 > -0.136 )
     6.0 0.1 0.1 peak 2647 volume 2.930e+02 ppm1 4.478 ppm2 -0.116
ASSI ( attr store1 < 4.586 and attr store1 > 4.546 )
     ( attr store1 < -0.177 and attr store1 > -0.217 )
     6.0 0.1 0.1 peak 2648 volume 1.750e+02 ppm1 4.566 ppm2 -0.197
ASSI ( attr store1 < 5.048 and attr store1 > 5.008 )
     ( attr store1 < 0.137 and attr store1 > 0.097 )
     6.0 0.1 0.1 peak 2657 volume 2.020e+02 ppm1 5.028 ppm2 0.117
ASSI ( resid 112 and name HA )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 2658 volume 5.640e+02 ppm1 5.108 ppm2 0.121
ASSI ( resid 99 and name HA )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 2659 volume 5.950e+02 ppm1 5.236 ppm2 0.121
ASSI ( resid 112 and name HA )
     ( resid 48 and name hb# )
     6.0 0.1 0.1 peak 2661 volume 0.000e+00 ppm1 5.106 ppm2 -0.031
ASSI ( resid 114 and name HA )
     ( resid 48 and name hb# )
     6.0 0.1 0.1 peak 2662 volume 2.723e+03 ppm1 5.275 ppm2 -0.030
ASSI ( resid 110 and name HA )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 2663 volume 3.440e+02 ppm1 5.463 ppm2 0.120
ASSI ( resid 98 and name HA )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 2664 volume 1.022e+04 ppm1 5.211 ppm2 -0.191
ASSI ( resid 47 and name HA )
     ( resid 48 and name hb# )
     6.0 0.1 0.1 peak 2665 volume 1.904e+03 ppm1 5.585 ppm2 -0.032
ASSI ( resid 96 and name HA )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 2667 volume 4.920e+02 ppm1 5.742 ppm2 -0.533
ASSI ( resid 96 and name HA )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 2668 volume 0.000e+00 ppm1 5.742 ppm2 -0.194
ASSI ( resid 59 and name HA )
     ( resid 100 and name hg2# )
     6.0 0.1 0.1 peak 2717 volume 5.290e+02 ppm1 5.446 ppm2 0.453
ASSI ( attr store1 < 5.457 and attr store1 > 5.417 )
     ( attr store1 < 0.746 and attr store1 > 0.706 )
     6.0 0.1 0.1 peak 2719 volume 6.470e+02 ppm1 5.437 ppm2 0.726
ASSI ( attr store1 < 5.284 and attr store1 > 5.244 )
     ( attr store1 < 0.762 and attr store1 > 0.722 )
     6.0 0.1 0.1 peak 2720 volume 8.340e+02 ppm1 5.264 ppm2 0.742
ASSI ( attr store1 < 5.459 and attr store1 > 5.419 )
     ( attr store1 < 0.925 and attr store1 > 0.885 )
     6.0 0.1 0.1 peak 2722 volume 2.092e+03 ppm1 5.439 ppm2 0.905
ASSI ( attr store1 < 5.286 and attr store1 > 5.246 )
     ( attr store1 < 0.875 and attr store1 > 0.835 )
     6.0 0.1 0.1 peak 2723 volume 1.019e+03 ppm1 5.266 ppm2 0.855
ASSI ( attr store1 < 4.99 and attr store1 > 4.95 )
     ( attr store1 < 0.927 and attr store1 > 0.887 )
     6.0 0.1 0.1 peak 2724 volume 1.756e+03 ppm1 4.970 ppm2 0.907
ASSI ( attr store1 < 5.038 and attr store1 > 4.998 )
     ( attr store1 < 0.875 and attr store1 > 0.835 )
     6.0 0.1 0.1 peak 2725 volume 1.782e+03 ppm1 5.018 ppm2 0.855
ASSI ( resid 116 and name HA )
     ( resid 116 and name hg2# )
     6.0 0.1 0.1 peak 2726 volume 0.000e+00 ppm1 4.882 ppm2 0.864
ASSI ( attr store1 < 4.779 and attr store1 > 4.739 )
     ( attr store1 < 0.907 and attr store1 > 0.867 )
     6.0 0.1 0.1 peak 2728 volume 2.667e+03 ppm1 4.759 ppm2 0.887
ASSI ( attr store1 < 4.71 and attr store1 > 4.67 )
     ( attr store1 < 0.89 and attr store1 > 0.85 )
     6.0 0.1 0.1 peak 2729 volume 3.256e+03 ppm1 4.690 ppm2 0.870
ASSI ( attr store1 < 4.698 and attr store1 > 4.658 )
     ( attr store1 < 0.922 and attr store1 > 0.882 )
     6.0 0.1 0.1 peak 2730 volume 4.259e+03 ppm1 4.678 ppm2 0.902
ASSI ( resid 62 and name HA )
     ( resid 62 and name hd1# )
     6.0 0.1 0.1 peak 2731 volume 0.000e+00 ppm1 4.586 ppm2 0.908
ASSI ( attr store1 < 5.129 and attr store1 > 5.089 )
     ( attr store1 < 0.773 and attr store1 > 0.733 )
     6.0 0.1 0.1 peak 2732 volume 8.010e+02 ppm1 5.109 ppm2 0.753
ASSI ( attr store1 < 5.034 and attr store1 > 4.994 )
     ( attr store1 < 0.743 and attr store1 > 0.703 )
     6.0 0.1 0.1 peak 2733 volume 2.628e+03 ppm1 5.014 ppm2 0.723
ASSI ( resid 33 and name HA )
     ( resid 33 and name HG13 )
     6.0 0.1 0.1 peak 2737 volume 0.000e+00 ppm1 4.707 ppm2 0.711
ASSI ( attr store1 < 5.015 and attr store1 > 4.975 )
     ( attr store1 < 0.48 and attr store1 > 0.44 )
     6.0 0.1 0.1 peak 2739 volume 1.910e+03 ppm1 4.995 ppm2 0.460
ASSI ( resid 101 and name HA )
     ( resid 100 and name hg2# )
     6.0 0.1 0.1 peak 2740 volume 5.480e+02 ppm1 4.882 ppm2 0.453
ASSI ( resid 101 and name HA )
     ( resid 25 and name hd1# )
     6.0 0.1 0.1 peak 2741 volume 1.339e+03 ppm1 4.884 ppm2 0.577
ASSI ( attr store1 < 4.797 and attr store1 > 4.757 )
     ( attr store1 < 0.612 and attr store1 > 0.572 )
     6.0 0.1 0.1 peak 2742 volume 2.232e+03 ppm1 4.777 ppm2 0.592
ASSI ( attr store1 < 4.798 and attr store1 > 4.758 )
     ( attr store1 < 0.511 and attr store1 > 0.471 )
     6.0 0.1 0.1 peak 2743 volume 4.345e+03 ppm1 4.778 ppm2 0.491
ASSI ( attr store1 < 4.436 and attr store1 > 4.396 )
     ( attr store1 < 0.564 and attr store1 > 0.524 )
     6.0 0.1 0.1 peak 2745 volume 7.610e+02 ppm1 4.416 ppm2 0.544
ASSI ( resid 86 and name HA )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 2746 volume 7.870e+02 ppm1 4.650 ppm2 0.263
ASSI ( attr store1 < 4.446 and attr store1 > 4.406 )
     ( attr store1 < 0.684 and attr store1 > 0.644 )
     6.0 0.1 0.1 peak 2748 volume 6.146e+03 ppm1 4.426 ppm2 0.664
ASSI ( attr store1 < 4.339 and attr store1 > 4.299 )
     ( attr store1 < 0.591 and attr store1 > 0.551 )
     6.0 0.1 0.1 peak 2749 volume 7.510e+02 ppm1 4.319 ppm2 0.571
ASSI ( attr store1 < 4.142 and attr store1 > 4.102 )
     ( attr store1 < 0.617 and attr store1 > 0.577 )
     6.0 0.1 0.1 peak 2750 volume 2.590e+02 ppm1 4.122 ppm2 0.597
ASSI ( resid 83 and name HA )
     ( resid 49 and name hg2# )
     6.0 0.1 0.1 peak 2751 volume 4.431e+03 ppm1 4.124 ppm2 0.472
ASSI ( attr store1 < 4.315 and attr store1 > 4.275 )
     ( attr store1 < 0.762 and attr store1 > 0.722 )
     6.0 0.1 0.1 peak 2754 volume 1.615e+03 ppm1 4.295 ppm2 0.742
ASSI ( attr store1 < 4.117 and attr store1 > 4.077 )
     ( attr store1 < 0.769 and attr store1 > 0.729 )
     6.0 0.1 0.1 peak 2757 volume 2.374e+03 ppm1 4.097 ppm2 0.749
ASSI ( resid 16 and name HD2 )
     ( resid 15 and name hg2# )
     6.0 0.1 0.1 peak 2762 volume 0.000e+00 ppm1 3.872 ppm2 0.947
ASSI ( resid 52 and name HB2 )
     ( resid 80 and name hg2# )
     6.0 0.1 0.1 peak 2763 volume 4.371e+03 ppm1 3.967 ppm2 0.888
ASSI ( resid 16 and name HD2 )
     ( resid 15 and name hd1# )
     6.0 0.1 0.1 peak 2765 volume 0.000e+00 ppm1 3.869 ppm2 0.798
ASSI ( attr store1 < 3.825 and attr store1 > 3.785 )
     ( attr store1 < 0.682 and attr store1 > 0.642 )
     6.0 0.1 0.1 peak 2766 volume 5.540e+02 ppm1 3.805 ppm2 0.662
ASSI ( resid 49 and name HA )
     ( resid 61 and name hd2# )
     6.0 0.1 0.1 peak 2767 volume 2.028e+03 ppm1 3.768 ppm2 0.592
ASSI ( resid 80 and name HA )
     ( resid 50 and name hd2# )
     6.0 0.1 0.1 peak 2769 volume 2.482e+03 ppm1 3.588 ppm2 0.727
ASSI ( resid 16 and name HD3 )
     ( resid 15 and name hd1# )
     6.0 0.1 0.1 peak 2770 volume 0.000e+00 ppm1 3.689 ppm2 0.796
ASSI ( attr store1 < 3.608 and attr store1 > 3.568 )
     ( attr store1 < 0.486 and attr store1 > 0.446 )
     6.0 0.1 0.1 peak 2773 volume 0.000e+00 ppm1 3.588 ppm2 0.466
ASSI ( resid 71 and name HA2 )
     ( resid 131 and name hg1# )
     6.0 0.1 0.1 peak 2774 volume 4.280e+02 ppm1 3.611 ppm2 0.840
ASSI ( resid 16 and name HD3 )
     ( resid 15 and name hg2# )
     6.0 0.1 0.1 peak 2775 volume 0.000e+00 ppm1 3.689 ppm2 0.946
ASSI ( resid 52 and name HB3 )
     ( resid 80 and name hg2# )
     6.0 0.1 0.1 peak 2778 volume 4.464e+03 ppm1 3.411 ppm2 0.888
ASSI ( attr store1 < 3.327 and attr store1 > 3.287 )
     ( attr store1 < 0.761 and attr store1 > 0.721 )
     6.0 0.1 0.1 peak 2779 volume 3.825e+03 ppm1 3.307 ppm2 0.741
ASSI ( resid 102 and name HB2 )
     ( resid 25 and name hd1# )
     6.0 0.1 0.1 peak 2780 volume 1.934e+03 ppm1 3.307 ppm2 0.578
ASSI ( resid 76 and name he# )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 2783 volume 3.350e+02 ppm1 3.257 ppm2 0.264
ASSI ( resid 86 and name HB3 )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 2785 volume 1.780e+03 ppm1 2.328 ppm2 0.263
ASSI ( resid 86 and name HB2 )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 2788 volume 2.181e+03 ppm1 2.642 ppm2 0.263
ASSI ( resid 32 and name HB3 )
     ( resid 97 and name hg1# )
     6.0 0.1 0.1 peak 2789 volume 2.042e+03 ppm1 2.714 ppm2 0.412
ASSI ( resid 32 and name HB2 )
     ( resid 97 and name hg1# )
     6.0 0.1 0.1 peak 2790 volume 4.453e+03 ppm1 2.853 ppm2 0.413
ASSI ( attr store1 < 3.001 and attr store1 > 2.961 )
     ( attr store1 < 0.464 and attr store1 > 0.424 )
     6.0 0.1 0.1 peak 2791 volume 1.670e+03 ppm1 2.981 ppm2 0.444
ASSI ( attr store1 < 3.001 and attr store1 > 2.961 )
     ( attr store1 < 0.52 and attr store1 > 0.48 )
     6.0 0.1 0.1 peak 2792 volume 9.350e+02 ppm1 2.981 ppm2 0.500
ASSI ( attr store1 < 2.88 and attr store1 > 2.84 )
     ( attr store1 < 0.523 and attr store1 > 0.483 )
     6.0 0.1 0.1 peak 2793 volume 2.101e+03 ppm1 2.860 ppm2 0.503
ASSI ( resid 72 and name HB3 )
     ( resid 64 and name hd2# )
     6.0 0.1 0.1 peak 2794 volume 2.036e+03 ppm1 2.828 ppm2 0.553
ASSI ( attr store1 < 3.0 and attr store1 > 2.96 )
     ( attr store1 < 0.591 and attr store1 > 0.551 )
     6.0 0.1 0.1 peak 2797 volume 6.600e+02 ppm1 2.980 ppm2 0.571
ASSI ( resid 110 and name HB3 )
     ( resid 100 and name hg2# )
     6.0 0.1 0.1 peak 2798 volume 5.109e+03 ppm1 2.573 ppm2 0.454
ASSI ( attr store1 < 2.72 and attr store1 > 2.68 )
     ( attr store1 < 0.487 and attr store1 > 0.447 )
     6.0 0.1 0.1 peak 2799 volume 6.820e+02 ppm1 2.700 ppm2 0.467
ASSI ( resid 78 and name HB2 )
     ( resid 61 and name hd2# )
     6.0 0.1 0.1 peak 2800 volume 8.130e+02 ppm1 3.132 ppm2 0.596
ASSI ( resid 72 and name HB3 )
     ( resid 131 and name hg2# )
     6.0 0.1 0.1 peak 2802 weight 0.100e+02 volume 4.005e+03 ppm1 2.833 ppm2 0.742
ASSI ( attr store1 < 2.851 and attr store1 > 2.811 )
     ( attr store1 < 0.72 and attr store1 > 0.68 )
     6.0 0.1 0.1 peak 2803 volume 0.000e+00 ppm1 2.831 ppm2 0.700
ASSI ( resid 113 and name HB2 )
     ( resid 49 and name hg1# )
     6.0 0.1 0.1 peak 2804 volume 0.000e+00 ppm1 2.692 ppm2 0.744
ASSI ( resid 78 and name HB2 )
     ( resid 61 and name hd1# )
     6.0 0.1 0.1 peak 2806 volume 1.993e+03 ppm1 3.134 ppm2 0.909
ASSI ( resid 72 and name HB2 )
     ( resid 131 and name hg1# )
     6.0 0.1 0.1 peak 2810 weight 0.100e+02 volume 2.107e+03 ppm1 2.906 ppm2 0.841
ASSI ( resid 72 and name HB3 )
     ( resid 131 and name hg1# )
     6.0 0.1 0.1 peak 2811 weight 0.100e+02 volume 1.739e+03 ppm1 2.833 ppm2 0.842
ASSI ( attr store1 < 2.851 and attr store1 > 2.811 )
     ( attr store1 < 0.985 and attr store1 > 0.945 )
     6.0 0.1 0.1 peak 2812 volume 1.166e+03 ppm1 2.831 ppm2 0.965
ASSI ( attr store1 < 2.662 and attr store1 > 2.622 )
     ( attr store1 < 0.929 and attr store1 > 0.889 )
     6.0 0.1 0.1 peak 2814 volume 7.760e+02 ppm1 2.642 ppm2 0.909
ASSI ( resid 78 and name HB3 )
     ( resid 61 and name hd1# )
     6.0 0.1 0.1 peak 2818 volume 1.917e+03 ppm1 2.433 ppm2 0.908
ASSI ( resid 116 and name HB )
     ( resid 116 and name hg2# )
     6.0 0.1 0.1 peak 2819 volume 0.000e+00 ppm1 2.500 ppm2 0.869
ASSI ( resid 113 and name HB3 )
     ( resid 49 and name hg1# )
     6.0 0.1 0.1 peak 2821 volume 0.000e+00 ppm1 2.389 ppm2 0.745
ASSI ( attr store1 < 2.395 and attr store1 > 2.355 )
     ( attr store1 < 0.815 and attr store1 > 0.775 )
     6.0 0.1 0.1 peak 2822 volume 8.230e+02 ppm1 2.375 ppm2 0.795
ASSI ( resid 102 and name HB3 )
     ( resid 25 and name hd1# )
     6.0 0.1 0.1 peak 2825 volume 2.928e+03 ppm1 2.420 ppm2 0.576
ASSI ( attr store1 < 2.189 and attr store1 > 2.149 )
     ( attr store1 < 0.876 and attr store1 > 0.836 )
     6.0 0.1 0.1 peak 2829 volume 8.305e+03 ppm1 2.169 ppm2 0.856
ASSI ( attr store1 < 2.085 and attr store1 > 2.045 )
     ( attr store1 < 0.909 and attr store1 > 0.869 )
     6.0 0.1 0.1 peak 2830 volume 0.000e+00 ppm1 2.065 ppm2 0.889
ASSI ( attr store1 < 2.189 and attr store1 > 2.149 )
     ( attr store1 < 0.684 and attr store1 > 0.644 )
     6.0 0.1 0.1 peak 2832 volume 1.133e+03 ppm1 2.169 ppm2 0.664
ASSI ( attr store1 < 2.088 and attr store1 > 2.048 )
     ( attr store1 < 0.596 and attr store1 > 0.556 )
     6.0 0.1 0.1 peak 2833 volume 2.684e+03 ppm1 2.068 ppm2 0.576
ASSI ( resid 76 and name HB2 )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 2835 volume 1.249e+03 ppm1 1.887 ppm2 0.264
ASSI ( resid 76 and name HB3 )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 2836 volume 8.630e+02 ppm1 1.787 ppm2 0.264
ASSI ( resid 76 and name hg# )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 2837 volume 1.231e+03 ppm1 1.509 ppm2 0.264
ASSI ( attr store1 < 0.923 and attr store1 > 0.883 )
     ( attr store1 < 0.284 and attr store1 > 0.244 )
     6.0 0.1 0.1 peak 2839 volume 5.584e+03 ppm1 0.903 ppm2 0.264
ASSI ( attr store1 < 1.932 and attr store1 > 1.892 )
     ( attr store1 < 0.433 and attr store1 > 0.393 )
     6.0 0.1 0.1 peak 2842 volume 1.227e+03 ppm1 1.912 ppm2 0.413
ASSI ( attr store1 < 1.791 and attr store1 > 1.751 )
     ( attr store1 < 0.431 and attr store1 > 0.391 )
     6.0 0.1 0.1 peak 2843 volume 9.010e+02 ppm1 1.771 ppm2 0.411
ASSI ( attr store1 < 1.791 and attr store1 > 1.751 )
     ( attr store1 < 0.568 and attr store1 > 0.528 )
     6.0 0.1 0.1 peak 2844 volume 5.689e+03 ppm1 1.771 ppm2 0.548
ASSI ( resid 15 and name HB )
     ( resid 15 and name hg2# )
     6.0 0.1 0.1 peak 2848 volume 0.000e+00 ppm1 1.836 ppm2 0.950
ASSI ( resid 33 and name HG12 )
     ( resid 33 and name hd1# )
     6.0 0.1 0.1 peak 2850 volume 0.000e+00 ppm1 1.296 ppm2 0.505
ASSI ( resid 50 and name hd1# )
     ( resid 112 and name hd1# )
     6.0 0.1 0.1 peak 2852 volume 8.510e+03 ppm1 1.031 ppm2 0.495
ASSI ( resid 50 and name hd1# )
     ( resid 112 and name hd2# )
     6.0 0.1 0.1 peak 2853 volume 8.975e+03 ppm1 1.026 ppm2 0.453
ASSI ( attr store1 < 1.157 and attr store1 > 1.117 )
     ( attr store1 < 0.465 and attr store1 > 0.425 )
     6.0 0.1 0.1 peak 2854 volume 0.000e+00 ppm1 1.137 ppm2 0.445
ASSI ( resid 77 and name HB2 )
     ( resid 60 and name hg2# )
     6.0 0.1 0.1 peak 2857 volume 2.056e+03 ppm1 2.040 ppm2 1.246
ASSI ( resid 59 and name he# )
     ( resid 25 and name hg2# )
     6.0 0.1 0.1 peak 2859 volume 4.357e+03 ppm1 2.068 ppm2 1.063
ASSI ( resid 59 and name he# )
     ( resid 57 and name hb# )
     6.0 0.1 0.1 peak 2862 volume 1.015e+04 ppm1 2.072 ppm2 1.520
ASSI ( resid 78 and name HB3 )
     ( resid 82 and name HG3 )
     6.0 0.1 0.1 peak 2866 volume 1.263e+03 ppm1 2.444 ppm2 1.377
ASSI ( resid 116 and name HB )
     ( resid 116 and name hg1# )
     6.0 0.1 0.1 peak 2870 volume 0.000e+00 ppm1 2.499 ppm2 1.186
ASSI ( attr store1 < 2.622 and attr store1 > 2.582 )
     ( attr store1 < 1.204 and attr store1 > 1.164 )
     6.0 0.1 0.1 peak 2871 volume 5.190e+02 ppm1 2.602 ppm2 1.184
ASSI ( attr store1 < 2.491 and attr store1 > 2.451 )
     ( attr store1 < 1.126 and attr store1 > 1.086 )
     6.0 0.1 0.1 peak 2872 volume 7.840e+02 ppm1 2.471 ppm2 1.106
ASSI ( resid 102 and name HB3 )
     ( resid 25 and name hg2# )
     6.0 0.1 0.1 peak 2873 volume 2.703e+03 ppm1 2.421 ppm2 1.064
ASSI ( resid 110 and name HB3 )
     ( resid 50 and name hd1# )
     6.0 0.1 0.1 peak 2875 volume 2.050e+03 ppm1 2.565 ppm2 1.011
ASSI ( resid 59 and name HB3 )
     ( resid 57 and name hb# )
     6.0 0.1 0.1 peak 2877 volume 2.215e+03 ppm1 2.507 ppm2 1.518
ASSI ( resid 78 and name HB3 )
     ( resid 82 and name HG2 )
     6.0 0.1 0.1 peak 2878 volume 1.055e+03 ppm1 2.445 ppm2 1.512
ASSI ( attr store1 < 2.449 and attr store1 > 2.409 )
     ( attr store1 < 1.636 and attr store1 > 1.596 )
     6.0 0.1 0.1 peak 2879 volume 8.420e+02 ppm1 2.429 ppm2 1.616
ASSI ( resid 78 and name HB3 )
     ( resid 82 and name HD3 )
     6.0 0.1 0.1 peak 2880 volume 2.660e+03 ppm1 2.444 ppm2 1.720
ASSI ( resid 59 and name HB2 )
     ( resid 57 and name hb# )
     6.0 0.1 0.1 peak 2881 volume 9.400e+02 ppm1 2.704 ppm2 1.517
ASSI ( resid 120 and name he# )
     ( resid 120 and name hg# )
     6.0 0.1 0.1 peak 2885 volume 0.000e+00 ppm1 2.803 ppm2 1.266
ASSI ( attr store1 < 2.845 and attr store1 > 2.805 )
     ( attr store1 < 1.112 and attr store1 > 1.072 )
     6.0 0.1 0.1 peak 2888 volume 2.220e+02 ppm1 2.825 ppm2 1.092
ASSI ( attr store1 < 2.889 and attr store1 > 2.849 )
     ( attr store1 < 1.35 and attr store1 > 1.31 )
     6.0 0.1 0.1 peak 2890 volume 2.422e+03 ppm1 2.869 ppm2 1.330
ASSI ( attr store1 < 2.96 and attr store1 > 2.92 )
     ( attr store1 < 1.35 and attr store1 > 1.31 )
     6.0 0.1 0.1 peak 2891 volume 2.309e+03 ppm1 2.940 ppm2 1.330
ASSI ( attr store1 < 2.951 and attr store1 > 2.911 )
     ( attr store1 < 1.395 and attr store1 > 1.355 )
     6.0 0.1 0.1 peak 2892 volume 2.201e+03 ppm1 2.931 ppm2 1.375
ASSI ( attr store1 < 3.028 and attr store1 > 2.988 )
     ( attr store1 < 1.536 and attr store1 > 1.496 )
     6.0 0.1 0.1 peak 2894 volume 4.823e+03 ppm1 3.008 ppm2 1.516
ASSI ( resid 82 and name he# )
     ( resid 82 and name HG3 )
     6.0 0.1 0.1 peak 2900 volume 2.542e+03 ppm1 3.118 ppm2 1.376
ASSI ( attr store1 < 3.143 and attr store1 > 3.103 )
     ( attr store1 < 1.266 and attr store1 > 1.226 )
     6.0 0.1 0.1 peak 2901 volume 2.890e+02 ppm1 3.123 ppm2 1.246
ASSI ( attr store1 < 3.046 and attr store1 > 3.006 )
     ( attr store1 < 1.202 and attr store1 > 1.162 )
     6.0 0.1 0.1 peak 2902 volume 6.280e+02 ppm1 3.026 ppm2 1.182
ASSI ( attr store1 < 3.029 and attr store1 > 2.989 )
     ( attr store1 < 1.12 and attr store1 > 1.08 )
     6.0 0.1 0.1 peak 2903 volume 5.940e+02 ppm1 3.009 ppm2 1.100
ASSI ( resid 110 and name HB2 )
     ( resid 50 and name hd1# )
     6.0 0.1 0.1 peak 2904 volume 0.000e+00 ppm1 3.007 ppm2 1.015
ASSI ( resid 79 and name HB2 )
     ( resid 80 and name hg1# )
     6.0 0.1 0.1 peak 2906 volume 0.000e+00 ppm1 3.118 ppm2 1.053
ASSI ( attr store1 < 3.05 and attr store1 > 3.01 )
     ( attr store1 < 1.07 and attr store1 > 1.03 )
     6.0 0.1 0.1 peak 2907 volume 1.522e+03 ppm1 3.030 ppm2 1.050
ASSI ( attr store1 < 2.761 and attr store1 > 2.721 )
     ( attr store1 < 1.045 and attr store1 > 1.005 )
     6.0 0.1 0.1 peak 2908 volume 9.260e+02 ppm1 2.741 ppm2 1.025
ASSI ( resid 76 and name he# )
     ( resid 76 and name hd# )
     6.0 0.1 0.1 peak 2909 volume 0.000e+00 ppm1 3.256 ppm2 1.622
ASSI ( resid 76 and name he# )
     ( resid 76 and name hg# )
     6.0 0.1 0.1 peak 2911 volume 0.000e+00 ppm1 3.253 ppm2 1.512
ASSI ( resid 102 and name HB2 )
     ( resid 25 and name hg2# )
     6.0 0.1 0.1 peak 2914 volume 1.608e+03 ppm1 3.307 ppm2 1.062
ASSI ( resid 81 and name HB2 )
     ( resid 80 and name hg1# )
     6.0 0.1 0.1 peak 2915 volume 0.000e+00 ppm1 3.236 ppm2 1.054
ASSI ( resid 80 and name HA )
     ( resid 80 and name hd1# )
     6.0 0.1 0.1 peak 2917 volume 5.598e+03 ppm1 3.587 ppm2 1.458
ASSI ( resid 52 and name HB3 )
     ( resid 57 and name hb# )
     6.0 0.1 0.1 peak 2918 volume 4.056e+03 ppm1 3.415 ppm2 1.518
ASSI ( attr store1 < 3.607 and attr store1 > 3.567 )
     ( attr store1 < 1.535 and attr store1 > 1.495 )
     6.0 0.1 0.1 peak 2920 volume 1.855e+03 ppm1 3.587 ppm2 1.515
ASSI ( attr store1 < 3.729 and attr store1 > 3.689 )
     ( attr store1 < 1.537 and attr store1 > 1.497 )
     6.0 0.1 0.1 peak 2921 volume 5.070e+02 ppm1 3.709 ppm2 1.517
ASSI ( attr store1 < 3.789 and attr store1 > 3.749 )
     ( attr store1 < 1.52 and attr store1 > 1.48 )
     6.0 0.1 0.1 peak 2922 volume 2.450e+02 ppm1 3.769 ppm2 1.500
ASSI ( attr store1 < 3.785 and attr store1 > 3.745 )
     ( attr store1 < 1.497 and attr store1 > 1.457 )
     6.0 0.1 0.1 peak 2923 volume 2.520e+02 ppm1 3.765 ppm2 1.477
ASSI ( resid 83 and name HD3 )
     ( resid 82 and name HG3 )
     6.0 0.1 0.1 peak 2924 volume 0.000e+00 ppm1 3.765 ppm2 1.368
ASSI ( resid 24 and name HB )
     ( resid 107 and name hg2# )
     6.0 0.1 0.1 peak 2925 volume 3.550e+03 ppm1 3.816 ppm2 1.107
ASSI ( attr store1 < 3.683 and attr store1 > 3.643 )
     ( attr store1 < 1.1 and attr store1 > 1.06 )
     6.0 0.1 0.1 peak 2926 volume 3.936e+03 ppm1 3.663 ppm2 1.080
ASSI ( resid 83 and name HD2 )
     ( resid 82 and name HG3 )
     6.0 0.1 0.1 peak 2929 volume 0.000e+00 ppm1 3.994 ppm2 1.370
ASSI ( attr store1 < 4.215 and attr store1 > 4.175 )
     ( attr store1 < 1.4 and attr store1 > 1.36 )
     6.0 0.1 0.1 peak 2931 volume 1.506e+03 ppm1 4.195 ppm2 1.380
ASSI ( attr store1 < 4.197 and attr store1 > 4.157 )
     ( attr store1 < 1.523 and attr store1 > 1.483 )
     6.0 0.1 0.1 peak 2934 volume 2.524e+03 ppm1 4.177 ppm2 1.503
ASSI ( resid 115 and name HB )
     ( resid 115 and name hg2# )
     6.0 0.1 0.1 peak 2935 volume 0.000e+00 ppm1 4.285 ppm2 1.327
ASSI ( resid 120 and name HA )
     ( resid 120 and name hg# )
     6.0 0.1 0.1 peak 2938 volume 0.000e+00 ppm1 4.347 ppm2 1.265
ASSI ( resid 53 and name HA )
     ( resid 53 and name hg2# )
     6.0 0.1 0.1 peak 2940 volume 0.000e+00 ppm1 4.248 ppm2 1.181
ASSI ( attr store1 < 4.338 and attr store1 > 4.298 )
     ( attr store1 < 1.697 and attr store1 > 1.657 )
     6.0 0.1 0.1 peak 2943 volume 4.584e+03 ppm1 4.318 ppm2 1.677
ASSI ( resid 83 and name HA )
     ( resid 49 and name HB )
     6.0 0.1 0.1 peak 2944 volume 2.847e+03 ppm1 4.125 ppm2 1.580
ASSI ( resid 52 and name HB2 )
     ( resid 57 and name hb# )
     6.0 0.1 0.1 peak 2945 volume 5.735e+03 ppm1 3.963 ppm2 1.517
ASSI ( attr store1 < 4.595 and attr store1 > 4.555 )
     ( attr store1 < 1.057 and attr store1 > 1.017 )
     6.0 0.1 0.1 peak 2948 volume 0.000e+00 ppm1 4.575 ppm2 1.037
ASSI ( resid 33 and name HA )
     ( resid 33 and name HG12 )
     6.0 0.1 0.1 peak 2950 volume 0.000e+00 ppm1 4.707 ppm2 1.294
ASSI ( attr store1 < 4.619 and attr store1 > 4.579 )
     ( attr store1 < 1.345 and attr store1 > 1.305 )
     6.0 0.1 0.1 peak 2951 volume 2.242e+03 ppm1 4.599 ppm2 1.325
ASSI ( attr store1 < 4.762 and attr store1 > 4.722 )
     ( attr store1 < 1.197 and attr store1 > 1.157 )
     6.0 0.1 0.1 peak 2952 volume 6.620e+03 ppm1 4.742 ppm2 1.177
ASSI ( resid 116 and name HA )
     ( resid 116 and name hg1# )
     6.0 0.1 0.1 peak 2955 volume 0.000e+00 ppm1 4.879 ppm2 1.186
ASSI ( resid 111 and name HA )
     ( resid 22 and name hg2# )
     6.0 0.1 0.1 peak 2956 volume 4.965e+03 ppm1 5.128 ppm2 1.078
ASSI ( resid 112 and name HA )
     ( resid 50 and name hd1# )
     6.0 0.1 0.1 peak 2957 volume 2.101e+03 ppm1 5.110 ppm2 1.012
ASSI ( resid 50 and name HA )
     ( resid 50 and name hd1# )
     6.0 0.1 0.1 peak 2959 volume 0.000e+00 ppm1 4.776 ppm2 1.014
ASSI ( attr store1 < 4.924 and attr store1 > 4.884 )
     ( attr store1 < 1.124 and attr store1 > 1.084 )
     6.0 0.1 0.1 peak 2960 volume 1.087e+03 ppm1 4.904 ppm2 1.104
ASSI ( resid 109 and name HA )
     ( resid 24 and name HB )
     6.0 0.1 0.1 peak 2961 volume 1.581e+03 ppm1 5.289 ppm2 3.814
ASSI ( resid 59 and name HA )
     ( resid 60 and name HB )
     6.0 0.1 0.1 peak 2962 volume 5.160e+02 ppm1 5.439 ppm2 3.614
ASSI ( attr store1 < 5.48 and attr store1 > 5.44 )
     ( attr store1 < 3.574 and attr store1 > 3.534 )
     6.0 0.1 0.1 peak 2963 volume 2.120e+02 ppm1 5.460 ppm2 3.554
ASSI ( resid 110 and name HA )
     ( resid 52 and name HB3 )
     6.0 0.1 0.1 peak 2964 volume 5.700e+02 ppm1 5.463 ppm2 3.416
ASSI ( attr store1 < 5.631 and attr store1 > 5.591 )
     ( attr store1 < 3.274 and attr store1 > 3.234 )
     6.0 0.1 0.1 peak 2965 volume 5.350e+02 ppm1 5.611 ppm2 3.254
ASSI ( attr store1 < 5.684 and attr store1 > 5.644 )
     ( attr store1 < 3.259 and attr store1 > 3.219 )
     6.0 0.1 0.1 peak 2966 volume 8.140e+02 ppm1 5.664 ppm2 3.239
ASSI ( attr store1 < 5.705 and attr store1 > 5.665 )
     ( attr store1 < 3.572 and attr store1 > 3.532 )
     6.0 0.1 0.1 peak 2967 volume 1.598e+03 ppm1 5.685 ppm2 3.552
ASSI ( resid 111 and name HA )
     ( resid 22 and name HB )
     6.0 0.1 0.1 peak 2968 volume 1.206e+03 ppm1 5.136 ppm2 3.980
ASSI ( resid 79 and name HA )
     ( resid 80 and name HA )
     6.0 0.1 0.1 peak 2969 volume 0.000e+00 ppm1 5.010 ppm2 3.586
ASSI ( resid 51 and name HA )
     ( resid 52 and name HB3 )
     6.0 0.1 0.1 peak 2970 volume 7.730e+02 ppm1 5.262 ppm2 3.415
ASSI ( resid 22 and name HA )
     ( resid 111 and name HB2 )
     6.0 0.1 0.1 peak 2971 volume 3.760e+02 ppm1 4.955 ppm2 3.660
ASSI ( resid 101 and name HA )
     ( resid 102 and name HB2 )
     6.0 0.1 0.1 peak 2972 volume 0.000e+00 ppm1 4.884 ppm2 3.302
ASSI ( resid 111 and name HA )
     ( resid 21 and name HB2 )
     6.0 0.1 0.1 peak 2973 volume 2.150e+02 ppm1 5.134 ppm2 3.253
ASSI ( resid 111 and name HA )
     ( resid 110 and name HB2 )
     6.0 0.1 0.1 peak 2974 volume 0.000e+00 ppm1 5.134 ppm2 3.008
ASSI ( resid 96 and name HA )
     ( resid 96 and name HB2 )
     6.0 0.1 0.1 peak 2975 volume 0.000e+00 ppm1 5.743 ppm2 2.895
ASSI ( attr store1 < 4.569 and attr store1 > 4.529 )
     ( attr store1 < 4.354 and attr store1 > 4.314 )
     6.0 0.1 0.1 peak 2977 volume 2.250e+02 ppm1 4.549 ppm2 4.334
ASSI ( resid 106 and name HA )
     ( resid 105 and name HB2 )
     6.0 0.1 0.1 peak 2978 volume 0.000e+00 ppm1 4.503 ppm2 3.996
ASSI ( attr store1 < 4.509 and attr store1 > 4.469 )
     ( attr store1 < 3.32 and attr store1 > 3.28 )
     6.0 0.1 0.1 peak 2981 volume 4.789e+03 ppm1 4.489 ppm2 3.300
ASSI ( attr store1 < 4.384 and attr store1 > 4.344 )
     ( attr store1 < 3.428 and attr store1 > 3.388 )
     6.0 0.1 0.1 peak 2984 volume 1.845e+03 ppm1 4.364 ppm2 3.408
ASSI ( resid 105 and name HA )
     ( resid 27 and name HA2 )
     6.0 0.1 0.1 peak 2985 volume 3.644e+03 ppm1 4.194 ppm2 3.410
ASSI ( resid 15 and name HA )
     ( resid 16 and name HD3 )
     6.0 0.1 0.1 peak 2986 volume 0.000e+00 ppm1 4.476 ppm2 3.683
ASSI ( attr store1 < 4.367 and attr store1 > 4.327 )
     ( attr store1 < 3.652 and attr store1 > 3.612 )
     6.0 0.1 0.1 peak 2987 volume 1.222e+03 ppm1 4.347 ppm2 3.632
ASSI ( resid 81 and name HA )
     ( resid 80 and name HA )
     6.0 0.1 0.1 peak 2988 volume 0.000e+00 ppm1 4.098 ppm2 3.583
ASSI ( attr store1 < 4.269 and attr store1 > 4.229 )
     ( attr store1 < 3.039 and attr store1 > 2.999 )
     6.0 0.1 0.1 peak 2990 volume 2.950e+02 ppm1 4.249 ppm2 3.019
ASSI ( resid 111 and name HB2 )
     ( resid 51 and name HB2 )
     6.0 0.1 0.1 peak 2992 volume 6.930e+02 ppm1 3.657 ppm2 3.334
ASSI ( resid 111 and name HB3 )
     ( resid 51 and name HB2 )
     6.0 0.1 0.1 peak 2993 volume 5.850e+02 ppm1 3.549 ppm2 3.334
ASSI ( resid 111 and name HB2 )
     ( resid 51 and name HB3 )
     6.0 0.1 0.1 peak 2994 volume 8.390e+02 ppm1 3.657 ppm2 3.087
ASSI ( attr store1 < 3.603 and attr store1 > 3.563 )
     ( attr store1 < 3.149 and attr store1 > 3.109 )
     6.0 0.1 0.1 peak 2995 volume 3.660e+02 ppm1 3.583 ppm2 3.129
ASSI ( resid 111 and name HB3 )
     ( resid 51 and name HB3 )
     6.0 0.1 0.1 peak 2996 volume 8.630e+02 ppm1 3.549 ppm2 3.087
ASSI ( resid 90 and name HB2 )
     ( resid 90 and name HB3 )
     6.0 0.1 0.1 peak 2999 volume 0.000e+00 ppm1 3.162 ppm2 2.966
ASSI ( resid 96 and name HA )
     ( resid 96 and name HB3 )
     6.0 0.1 0.1 peak 3001 volume 0.000e+00 ppm1 5.743 ppm2 2.650
ASSI ( resid 110 and name HA )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3004 volume 3.305e+03 ppm1 5.463 ppm2 2.070
ASSI ( attr store1 < 5.604 and attr store1 > 5.564 )
     ( attr store1 < 2.12 and attr store1 > 2.08 )
     6.0 0.1 0.1 peak 3005 volume 2.950e+02 ppm1 5.584 ppm2 2.100
ASSI ( attr store1 < 5.701 and attr store1 > 5.661 )
     ( attr store1 < 2.463 and attr store1 > 2.423 )
     6.0 0.1 0.1 peak 3006 volume 2.900e+02 ppm1 5.681 ppm2 2.443
ASSI ( resid 77 and name HA )
     ( resid 76 and name HB2 )
     6.0 0.1 0.1 peak 3007 volume 0.000e+00 ppm1 5.670 ppm2 1.865
ASSI ( resid 77 and name HA )
     ( resid 76 and name hd# )
     6.0 0.1 0.1 peak 3008 volume 0.000e+00 ppm1 5.670 ppm2 1.626
ASSI ( resid 77 and name HA )
     ( resid 76 and name hg# )
     6.0 0.1 0.1 peak 3009 volume 0.000e+00 ppm1 5.670 ppm2 1.527
ASSI ( attr store1 < 5.126 and attr store1 > 5.086 )
     ( attr store1 < 2.695 and attr store1 > 2.655 )
     6.0 0.1 0.1 peak 3013 volume 7.350e+02 ppm1 5.106 ppm2 2.675
ASSI ( resid 110 and name HB3 )
     ( resid 111 and name HA )
     6.0 0.1 0.1 peak 3014 volume 0.000e+00 ppm1 5.129 ppm2 2.562
ASSI ( resid 24 and name HA )
     ( resid 109 and name HB2 )
     6.0 0.1 0.1 peak 3015 volume 4.560e+02 ppm1 5.031 ppm2 2.598
ASSI ( resid 24 and name HA )
     ( resid 109 and name HB2 )
     6.0 0.1 0.1 peak 3016 volume 4.870e+02 ppm1 5.035 ppm2 2.836
ASSI ( resid 102 and name HA )
     ( resid 59 and name HB2 )
     6.0 0.1 0.1 peak 3017 volume 3.072e+03 ppm1 4.985 ppm2 2.698
ASSI ( resid 108 and name HA )
     ( resid 109 and name HB3 )
     6.0 0.1 0.1 peak 3018 volume 3.900e+02 ppm1 4.905 ppm2 2.606
ASSI ( resid 102 and name HA )
     ( resid 59 and name HB3 )
     6.0 0.1 0.1 peak 3019 volume 1.188e+03 ppm1 4.983 ppm2 2.518
ASSI ( attr store1 < 5.126 and attr store1 > 5.086 )
     ( attr store1 < 2.394 and attr store1 > 2.354 )
     6.0 0.1 0.1 peak 3020 volume 3.890e+02 ppm1 5.106 ppm2 2.374
ASSI ( attr store1 < 4.684 and attr store1 > 4.644 )
     ( attr store1 < 2.486 and attr store1 > 2.446 )
     6.0 0.1 0.1 peak 3021 volume 9.630e+02 ppm1 4.664 ppm2 2.466
ASSI ( attr store1 < 4.797 and attr store1 > 4.757 )
     ( attr store1 < 2.216 and attr store1 > 2.176 )
     6.0 0.1 0.1 peak 3023 volume 3.930e+02 ppm1 4.777 ppm2 2.196
ASSI ( resid 101 and name HA )
     ( resid 30 and name HG2 )
     6.0 0.1 0.1 peak 3024 volume 4.630e+02 ppm1 4.883 ppm2 2.170
ASSI ( attr store1 < 5.0 and attr store1 > 4.96 )
     ( attr store1 < 2.213 and attr store1 > 2.173 )
     6.0 0.1 0.1 peak 3025 volume 1.929e+03 ppm1 4.980 ppm2 2.193
ASSI ( resid 101 and name HA )
     ( resid 30 and name HG3 )
     6.0 0.1 0.1 peak 3026 volume 2.930e+02 ppm1 4.881 ppm2 2.119
ASSI ( resid 108 and name HA )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3027 volume 1.438e+03 ppm1 4.909 ppm2 2.072
ASSI ( attr store1 < 5.003 and attr store1 > 4.963 )
     ( attr store1 < 2.092 and attr store1 > 2.052 )
     6.0 0.1 0.1 peak 3028 volume 8.510e+02 ppm1 4.983 ppm2 2.072
ASSI ( resid 52 and name HA )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3029 volume 1.024e+03 ppm1 4.765 ppm2 2.072
ASSI ( resid 101 and name HA )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 3030 volume 5.680e+02 ppm1 4.880 ppm2 1.989
ASSI ( resid 104 and name hb# )
     ( resid 58 and name HB3 )
     6.0 0.1 0.1 peak 3031 volume 1.335e+03 ppm1 4.167 ppm2 2.519
ASSI ( resid 57 and name HA )
     ( resid 58 and name HB3 )
     6.0 0.1 0.1 peak 3033 volume 0.000e+00 ppm1 4.030 ppm2 2.517
ASSI ( resid 104 and name hb# )
     ( resid 58 and name HB2 )
     6.0 0.1 0.1 peak 3035 volume 1.652e+03 ppm1 4.169 ppm2 2.791
ASSI ( attr store1 < 4.319 and attr store1 > 4.279 )
     ( attr store1 < 2.927 and attr store1 > 2.887 )
     6.0 0.1 0.1 peak 3038 volume 6.460e+02 ppm1 4.299 ppm2 2.907
ASSI ( attr store1 < 3.367 and attr store1 > 3.327 )
     ( attr store1 < 2.816 and attr store1 > 2.776 )
     6.0 0.1 0.1 peak 3041 volume 6.070e+02 ppm1 3.347 ppm2 2.796
ASSI ( attr store1 < 3.324 and attr store1 > 3.284 )
     ( attr store1 < 2.724 and attr store1 > 2.684 )
     6.0 0.1 0.1 peak 3042 volume 7.490e+02 ppm1 3.304 ppm2 2.704
ASSI ( resid 29 and name HA2 )
     ( resid 26 and name hb# )
     6.0 0.1 0.1 peak 3043 volume 9.570e+02 ppm1 3.551 ppm2 2.466
ASSI ( attr store1 < 3.326 and attr store1 > 3.286 )
     ( attr store1 < 2.526 and attr store1 > 2.486 )
     6.0 0.1 0.1 peak 3044 volume 3.560e+02 ppm1 3.306 ppm2 2.506
ASSI ( resid 108 and name HB2 )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3045 volume 5.945e+03 ppm1 3.705 ppm2 2.071
ASSI ( resid 108 and name HB3 )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3046 volume 5.672e+03 ppm1 3.562 ppm2 2.072
ASSI ( resid 52 and name HB3 )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3047 volume 2.546e+03 ppm1 3.414 ppm2 2.070
ASSI ( resid 60 and name HB )
     ( resid 101 and name HB2 )
     6.0 0.1 0.1 peak 3048 volume 2.679e+03 ppm1 3.611 ppm2 1.855
ASSI ( attr store1 < 3.019 and attr store1 > 2.979 )
     ( attr store1 < 2.311 and attr store1 > 2.271 )
     6.0 0.1 0.1 peak 3060 volume 6.710e+02 ppm1 2.999 ppm2 2.291
ASSI ( resid 110 and name HB2 )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3061 volume 2.916e+03 ppm1 3.015 ppm2 2.070
ASSI ( attr store1 < 2.92 and attr store1 > 2.88 )
     ( attr store1 < 2.122 and attr store1 > 2.082 )
     6.0 0.1 0.1 peak 3062 volume 1.538e+03 ppm1 2.900 ppm2 2.102
ASSI ( attr store1 < 2.938 and attr store1 > 2.898 )
     ( attr store1 < 2.003 and attr store1 > 1.963 )
     6.0 0.1 0.1 peak 3063 volume 1.260e+03 ppm1 2.918 ppm2 1.983
ASSI ( resid 59 and name HB2 )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3065 volume 0.000e+00 ppm1 2.701 ppm2 2.072
ASSI ( resid 110 and name HB3 )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3066 weight 0.100e+02 volume 3.225e+03 ppm1 2.565 ppm2 2.072
ASSI ( resid 78 and name HB3 )
     ( resid 82 and name hb# )
     6.0 0.1 0.1 peak 3067 volume 8.680e+02 ppm1 2.443 ppm2 1.908
ASSI ( attr store1 < 2.849 and attr store1 > 2.809 )
     ( attr store1 < 2.744 and attr store1 > 2.704 )
     6.0 0.1 0.1 peak 3070 volume 1.911e+04 ppm1 2.829 ppm2 2.724
ASSI ( resid 77 and name HA )
     ( resid 60 and name hg2# )
     6.0 0.1 0.1 peak 3071 volume 3.418e+03 ppm1 5.671 ppm2 1.249
ASSI ( attr store1 < 5.637 and attr store1 > 5.597 )
     ( attr store1 < 1.293 and attr store1 > 1.253 )
     6.0 0.1 0.1 peak 3072 volume 2.155e+03 ppm1 5.617 ppm2 1.273
ASSI ( resid 59 and name HA )
     ( resid 60 and name hg2# )
     6.0 0.1 0.1 peak 3073 volume 2.650e+02 ppm1 5.443 ppm2 1.250
ASSI ( resid 99 and name HA )
     ( resid 100 and name HB )
     6.0 0.1 0.1 peak 3074 volume 0.000e+00 ppm1 5.250 ppm2 1.341
ASSI ( attr store1 < 5.623 and attr store1 > 5.583 )
     ( attr store1 < 1.2 and attr store1 > 1.16 )
     6.0 0.1 0.1 peak 3075 volume 2.473e+03 ppm1 5.603 ppm2 1.180
ASSI ( attr store1 < 5.631 and attr store1 > 5.591 )
     ( attr store1 < 1.159 and attr store1 > 1.119 )
     6.0 0.1 0.1 peak 3076 volume 1.191e+03 ppm1 5.611 ppm2 1.139
ASSI ( resid 77 and name HA )
     ( resid 62 and name hd1# )
     6.0 0.1 0.1 peak 3080 volume 4.266e+03 ppm1 5.669 ppm2 0.909
ASSI ( resid 77 and name HA )
     ( resid 62 and name hg1# )
     6.0 0.1 0.1 peak 3081 volume 4.206e+03 ppm1 5.665 ppm2 0.859
ASSI ( attr store1 < 5.635 and attr store1 > 5.595 )
     ( attr store1 < 0.764 and attr store1 > 0.724 )
     6.0 0.1 0.1 peak 3082 volume 5.028e+03 ppm1 5.615 ppm2 0.744
ASSI ( attr store1 < 5.64 and attr store1 > 5.6 )
     ( attr store1 < 0.722 and attr store1 > 0.682 )
     6.0 0.1 0.1 peak 3083 volume 8.620e+02 ppm1 5.620 ppm2 0.702
ASSI ( resid 77 and name HA )
     ( resid 62 and name hg2# )
     6.0 0.1 0.1 peak 3084 volume 1.523e+03 ppm1 5.669 ppm2 0.697
ASSI ( resid 110 and name HA )
     ( resid 50 and name hd1# )
     6.0 0.1 0.1 peak 3085 volume 1.321e+03 ppm1 5.463 ppm2 1.012
ASSI ( resid 109 and name HA )
     ( resid 24 and name hg2# )
     6.0 0.1 0.1 peak 3086 volume 2.960e+03 ppm1 5.289 ppm2 1.062
ASSI ( attr store1 < 5.28 and attr store1 > 5.24 )
     ( attr store1 < 1.032 and attr store1 > 0.992 )
     6.0 0.1 0.1 peak 3087 volume 0.000e+00 ppm1 5.260 ppm2 1.012
ASSI ( attr store1 < 5.266 and attr store1 > 5.226 )
     ( attr store1 < 0.916 and attr store1 > 0.876 )
     6.0 0.1 0.1 peak 3088 volume 4.053e+03 ppm1 5.246 ppm2 0.896
ASSI ( attr store1 < 4.789 and attr store1 > 4.749 )
     ( attr store1 < 1.16 and attr store1 > 1.12 )
     6.0 0.1 0.1 peak 3089 volume 3.317e+03 ppm1 4.769 ppm2 1.140
ASSI ( resid 30 and name HA )
     ( resid 25 and name hd1# )
     6.0 0.1 0.1 peak 3091 volume 3.726e+03 ppm1 5.688 ppm2 0.577
ASSI ( attr store1 < 5.638 and attr store1 > 5.598 )
     ( attr store1 < 0.521 and attr store1 > 0.481 )
     6.0 0.1 0.1 peak 3092 volume 1.327e+03 ppm1 5.618 ppm2 0.501
ASSI ( resid 30 and name HA )
     ( resid 100 and name hg2# )
     6.0 0.1 0.1 peak 3094 volume 2.201e+03 ppm1 5.688 ppm2 0.456
ASSI ( attr store1 < 4.648 and attr store1 > 4.608 )
     ( attr store1 < -0.102 and attr store1 > -0.142 )
     6.0 0.1 0.1 peak 3099 volume 3.240e+02 ppm1 4.628 ppm2 -0.122
ASSI ( attr store1 < 0.595 and attr store1 > 0.555 )
     ( attr store1 < 6.33 and attr store1 > 6.29 )
     6.0 0.1 0.1 peak 3101 volume 1.606e+03 ppm1 0.575 ppm2 6.310
ASSI ( resid 112 and name hd1# )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 3102 volume 4.364e+04 ppm1 0.496 ppm2 6.311
ASSI ( resid 31 and name hg2# )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 3103 volume 7.843e+03 ppm1 0.705 ppm2 6.312
ASSI ( resid 31 and name hg1# )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 3104 volume 0.000e+00 ppm1 0.900 ppm2 6.310
ASSI ( resid 25 and name hg1# )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 3105 volume 4.816e+03 ppm1 1.154 ppm2 6.312
ASSI ( resid 25 and name hg2# )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 3106 volume 2.755e+03 ppm1 1.065 ppm2 6.311
ASSI ( attr store1 < 1.642 and attr store1 > 1.602 )
     ( attr store1 < 7.028 and attr store1 > 6.988 )
     6.0 0.1 0.1 peak 3108 volume 2.570e+02 ppm1 1.622 ppm2 7.008
ASSI ( attr store1 < 2.125 and attr store1 > 2.085 )
     ( attr store1 < 6.333 and attr store1 > 6.293 )
     6.0 0.1 0.1 peak 3111 volume 8.230e+02 ppm1 2.105 ppm2 6.313
ASSI ( resid 25 and name HB )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 3113 volume 8.529e+03 ppm1 1.561 ppm2 6.311
ASSI ( attr store1 < 2.146 and attr store1 > 2.106 )
     ( attr store1 < 6.517 and attr store1 > 6.477 )
     6.0 0.1 0.1 peak 3114 volume 9.210e+02 ppm1 2.126 ppm2 6.497
ASSI ( resid 23 and name HA1 )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 3115 volume 2.794e+03 ppm1 3.972 ppm2 6.312
ASSI ( resid 110 and name HA )
     ( resid 52 and name HB2 )
     6.0 0.1 0.1 peak 3116 volume 3.550e+02 ppm1 5.462 ppm2 3.967
ASSI ( resid 96 and name HA )
     ( resid 97 and name HN )
     6.0 0.1 0.1 peak 3117 volume 0.000e+00 ppm1 5.742 ppm2 8.742
ASSI ( resid 77 and name HA )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 3118 volume 1.614e+03 ppm1 5.672 ppm2 8.746
ASSI ( resid 33 and name HG12 )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 3126 volume 0.000e+00 ppm1 1.313 ppm2 9.072
ASSI ( resid 32 and name HA )
     ( resid 32 and name HB3 )
     6.0 0.1 0.1 peak 3127 volume 0.000e+00 ppm1 5.639 ppm2 2.727
ASSI ( resid 33 and name HG12 )
     ( resid 33 and name HG13 )
     6.0 0.1 0.1 peak 3128 volume 0.000e+00 ppm1 1.298 ppm2 0.708
ASSI ( resid 33 and name HG12 )
     ( resid 33 and name hg2# )
     6.0 0.1 0.1 peak 3129 volume 0.000e+00 ppm1 1.293 ppm2 0.182
ASSI ( resid 108 and name HN )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 3130 volume 3.647e+03 ppm1 8.649 ppm2 9.251
ASSI ( resid 22 and name HA )
     ( resid 111 and name HA )
     6.0 0.1 0.1 peak 3132 volume 5.737e+03 ppm1 4.955 ppm2 5.132
ASSI ( resid 31 and name HN )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 3133 volume 8.540e+03 ppm1 8.861 ppm2 9.377
ASSI ( resid 97 and name HN )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 3134 volume 4.388e+03 ppm1 8.741 ppm2 9.504
ASSI ( resid 85 and name HA )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 3136 volume 3.360e+02 ppm1 5.440 ppm2 6.567
ASSI ( attr store1 < 3.784 and attr store1 > 3.744 )
     ( attr store1 < 8.215 and attr store1 > 8.175 )
     6.0 0.1 0.1 peak 3137 volume 4.010e+02 ppm1 3.764 ppm2 8.195
ASSI ( resid 49 and name HA )
     ( resid 48 and name hb# )
     6.0 0.1 0.1 peak 3138 volume 1.595e+03 ppm1 3.763 ppm2 -0.030
ASSI ( resid 99 and name HA )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 3139 volume 9.703e+03 ppm1 5.243 ppm2 5.630
ASSI ( resid 32 and name HA )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 3140 volume 0.000e+00 ppm1 5.632 ppm2 9.376
ASSI ( resid 99 and name HA )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 3141 volume 0.000e+00 ppm1 5.243 ppm2 9.073
ASSI ( resid 101 and name HA )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 3142 volume 4.816e+03 ppm1 4.891 ppm2 5.686
ASSI ( resid 29 and name HN )
     ( resid 102 and name HN )
     6.0 0.1 0.1 peak 3143 volume 0.000e+00 ppm1 8.214 ppm2 8.840
ASSI ( resid 52 and name HA )
     ( resid 110 and name HA )
     6.0 0.1 0.1 peak 3145 volume 2.752e+03 ppm1 4.757 ppm2 5.457
ASSI ( resid 111 and name HN )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 3146 volume 2.303e+03 ppm1 8.654 ppm2 9.272
ASSI ( resid 62 and name HA )
     ( resid 77 and name HA )
     6.0 0.1 0.1 peak 3148 volume 1.024e+04 ppm1 4.592 ppm2 5.673
ASSI ( resid 76 and name HN )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 3150 volume 1.281e+03 ppm1 7.465 ppm2 8.746
ASSI ( resid 60 and name HN )
     ( resid 103 and name HN )
     6.0 0.1 0.1 peak 3151 volume 2.013e+03 ppm1 8.846 ppm2 9.065
ASSI ( resid 24 and name HA )
     ( resid 109 and name HA )
     6.0 0.1 0.1 peak 3152 volume 5.411e+03 ppm1 5.036 ppm2 5.285
ASSI ( attr store1 < 1.68 and attr store1 > 1.64 )
     ( attr store1 < 7.287 and attr store1 > 7.247 )
     6.0 0.1 0.1 peak 3154 volume 1.462e+03 ppm1 1.660 ppm2 7.267
ASSI ( resid 65 and name HA )
     ( resid 96 and name HN )
     6.0 0.1 0.1 peak 3156 volume 0.000e+00 ppm1 4.985 ppm2 8.273
ASSI ( resid 102 and name HA )
     ( resid 59 and name HA )
     6.0 0.1 0.1 peak 3157 volume 1.049e+04 ppm1 4.986 ppm2 5.440
ASSI ( resid 65 and name HA )
     ( resid 96 and name HA )
     6.0 0.1 0.1 peak 3158 volume 2.431e+03 ppm1 4.981 ppm2 5.741
ASSI ( resid 48 and name HA )
     ( resid 114 and name HA )
     6.0 0.1 0.1 peak 3159 volume 2.001e+03 ppm1 4.769 ppm2 5.274
ASSI ( resid 85 and name HA )
     ( resid 47 and name HA )
     6.0 0.1 0.1 peak 3160 volume 6.544e+03 ppm1 5.434 ppm2 5.580
ASSI ( resid 100 and name HA )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 3161 volume 2.561e+03 ppm1 4.481 ppm2 9.903
ASSI ( resid 62 and name HN )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 3162 volume 1.536e+03 ppm1 9.902 ppm2 9.980
ASSI ( resid 61 and name HA )
     ( resid 101 and name HN )
     6.0 0.1 0.1 peak 3163 volume 2.550e+03 ppm1 5.028 ppm2 8.897
ASSI ( resid 51 and name HB3 )
     ( resid 52 and name HN )
     6.0 0.1 0.1 peak 3164 volume 5.948e+03 ppm1 3.084 ppm2 9.134
ASSI ( resid 23 and name HA2 )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 3165 volume 1.214e+03 ppm1 3.791 ppm2 6.499
ASSI ( resid 23 and name HA1 )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 3168 volume 1.201e+03 ppm1 3.973 ppm2 6.499
ASSI ( resid 21 and name HB3 )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 3169 volume 0.000e+00 ppm1 2.878 ppm2 6.499
ASSI ( resid 21 and name HB3 )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 3170 volume 0.000e+00 ppm1 2.878 ppm2 6.312
ASSI ( resid 100 and name HB )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 3171 volume 4.580e+02 ppm1 1.345 ppm2 6.310
ASSI ( resid 27 and name HA1 )
     ( resid 102 and name HD21 )
     6.0 0.1 0.1 peak 3172 volume 1.786e+03 ppm1 3.638 ppm2 7.082
ASSI ( resid 62 and name hd1# )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 3173 volume 7.969e+03 ppm1 0.905 ppm2 9.901
ASSI ( resid 61 and name HG )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 3174 volume 6.210e+02 ppm1 1.105 ppm2 9.782
ASSI ( resid 33 and name hg2# )
     ( resid 21 and name he# )
     6.0 0.1 0.1 peak 3177 volume 1.988e+03 ppm1 0.191 ppm2 6.807
ASSI ( resid 49 and name hg2# )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 3179 volume 4.391e+03 ppm1 0.474 ppm2 8.387
ASSI ( resid 49 and name hg1# )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 3180 volume 2.349e+03 ppm1 0.754 ppm2 8.387
ASSI ( resid 76 and name hd# )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 3181 volume 0.000e+00 ppm1 1.626 ppm2 8.245
ASSI ( resid 76 and name HB3 )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 3182 volume 0.000e+00 ppm1 1.792 ppm2 8.245
ASSI ( resid 51 and name HB3 )
     ( resid 111 and name HN )
     6.0 0.1 0.1 peak 3183 volume 3.940e+02 ppm1 3.089 ppm2 8.654
ASSI ( resid 32 and name HA )
     ( resid 97 and name hg1# )
     6.0 0.1 0.1 peak 3184 volume 1.544e+03 ppm1 5.627 ppm2 0.415
ASSI ( attr store1 < 5.647 and attr store1 > 5.607 )
     ( attr store1 < -0.514 and attr store1 > -0.554 )
     6.0 0.1 0.1 peak 3185 volume 3.220e+02 ppm1 5.627 ppm2 -0.534
ASSI ( resid 112 and name HA )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 3186 volume 4.310e+02 ppm1 5.108 ppm2 8.354
ASSI ( resid 47 and name HA )
     ( resid 98 and name HH2 )
     6.0 0.1 0.1 peak 3188 volume 6.170e+02 ppm1 5.591 ppm2 6.659
ASSI ( attr store1 < 5.711 and attr store1 > 5.671 )
     ( attr store1 < 1.086 and attr store1 > 1.046 )
     6.0 0.1 0.1 peak 3189 volume 0.000e+00 ppm1 5.691 ppm2 1.066
ASSI ( resid 20 and name HA )
     ( resid 21 and name he# )
     6.0 0.1 0.1 peak 3190 volume 3.670e+02 ppm1 5.606 ppm2 6.807
ASSI ( attr store1 < 7.641 and attr store1 > 7.601 )
     ( attr store1 < 8.411 and attr store1 > 8.371 )
     6.0 0.1 0.1 peak 3191 volume 2.480e+02 ppm1 7.621 ppm2 8.391
ASSI ( attr store1 < 0.455 and attr store1 > 0.415 )
     ( attr store1 < 6.967 and attr store1 > 6.927 )
     6.0 0.1 0.1 peak 3192 volume 1.153e+03 ppm1 0.435 ppm2 6.947
ASSI ( resid 72 and name HZ3 )
     ( resid 72 and name HZ2 )
     6.0 0.1 0.1 peak 3193 volume 0.000e+00 ppm1 6.707 ppm2 7.447
ASSI ( resid 72 and name HD1 )
     ( resid 72 and name HZ2 )
     6.0 0.1 0.1 peak 3194 volume 0.000e+00 ppm1 7.236 ppm2 7.447
ASSI ( resid 82 and name HD3 )
     ( resid 78 and name HD22 )
     6.0 0.1 0.1 peak 3197 volume 1.852e+03 ppm1 1.722 ppm2 6.606
ASSI ( resid 82 and name HA )
     ( resid 78 and name HD21 )
     6.0 0.1 0.1 peak 3198 volume 4.480e+02 ppm1 4.979 ppm2 6.655
ASSI ( resid 82 and name HA )
     ( resid 78 and name HD22 )
     6.0 0.1 0.1 peak 3199 volume 4.340e+02 ppm1 4.979 ppm2 6.604
ASSI ( resid 131 and name hg1# )
     ( resid 72 and name HE1 )
     6.0 0.1 0.1 peak 3200 weight 0.100e+02 volume 2.170e+02 ppm1 0.853 ppm2 10.287
ASSI ( resid 131 and name hg1# )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 3201 weight 0.100e+02 volume 8.710e+02 ppm1 0.853 ppm2 8.166
ASSI ( resid 46 and name hd2# )
     ( resid 98 and name HZ2 )
     6.0 0.1 0.1 peak 3202 volume 1.478e+03 ppm1 -0.314 ppm2 7.191
ASSI ( resid 46 and name hd1# )
     ( resid 98 and name HZ2 )
     6.0 0.1 0.1 peak 3203 volume 1.823e+03 ppm1 -0.109 ppm2 7.191
ASSI ( resid 46 and name hd2# )
     ( resid 98 and name HZ3 )
     6.0 0.1 0.1 peak 3204 volume 2.412e+03 ppm1 -0.314 ppm2 6.838
ASSI ( resid 46 and name hd1# )
     ( resid 98 and name HZ3 )
     6.0 0.1 0.1 peak 3205 volume 6.036e+03 ppm1 -0.109 ppm2 6.838
ASSI ( resid 46 and name hd2# )
     ( resid 98 and name HH2 )
     6.0 0.1 0.1 peak 3206 volume 1.125e+03 ppm1 -0.314 ppm2 6.656
ASSI ( resid 46 and name hd2# )
     ( resid 96 and name HE3 )
     6.0 0.1 0.1 peak 3207 volume 7.950e+02 ppm1 -0.315 ppm2 7.319
ASSI ( resid 46 and name hd1# )
     ( resid 96 and name HE3 )
     6.0 0.1 0.1 peak 3208 volume 9.330e+02 ppm1 -0.113 ppm2 7.319
ASSI ( resid 63 and name hd1# )
     ( resid 46 and name hd2# )
     6.0 0.1 0.1 peak 3209 volume 1.033e+03 ppm1 0.267 ppm2 -0.309
ASSI ( resid 63 and name hd1# )
     ( resid 46 and name hd1# )
     6.0 0.1 0.1 peak 3210 volume 2.570e+03 ppm1 0.267 ppm2 -0.115
ASSI ( resid 63 and name hd1# )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 3211 volume 4.010e+02 ppm1 0.264 ppm2 9.162
ASSI ( resid 52 and name HB2 )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3212 volume 3.732e+03 ppm1 3.974 ppm2 2.072
ASSI ( resid 59 and name HB3 )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3213 volume 0.000e+00 ppm1 2.514 ppm2 2.072
ASSI ( resid 130 and name HD3 )
     ( resid 130 and name hb# )
     6.0 0.1 0.1 peak 3215 volume 0.000e+00 ppm1 3.687 ppm2 2.294
ASSI ( resid 130 and name HD2 )
     ( resid 130 and name hb# )
     6.0 0.1 0.1 peak 3216 volume 0.000e+00 ppm1 3.872 ppm2 2.294
ASSI ( resid 72 and name HZ3 )
     ( resid 97 and name HN )
     6.0 0.1 0.1 peak 3217 volume 0.000e+00 ppm1 6.708 ppm2 8.741
ASSI ( resid 110 and name HB2 )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 3218 volume 9.350e+02 ppm1 3.007 ppm2 0.122
ASSI ( resid 98 and name HB3 )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 3219 volume 0.000e+00 ppm1 2.840 ppm2 7.269
ASSI ( resid 61 and name hd2# )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 3220 volume 0.000e+00 ppm1 0.598 ppm2 7.268
ASSI ( resid 67 and name HB )
     ( resid 66 and name HD22 )
     6.0 0.1 0.1 peak 3221 volume 5.430e+02 ppm1 1.613 ppm2 6.197
ASSI ( resid 71 and name HA1 )
     ( resid 66 and name HD22 )
     6.0 0.1 0.1 peak 3222 volume 4.350e+02 ppm1 4.222 ppm2 6.198
ASSI ( resid 67 and name HA )
     ( resid 66 and name HD22 )
     6.0 0.1 0.1 peak 3223 volume 5.160e+02 ppm1 4.337 ppm2 6.198
ASSI ( resid 79 and name HA )
     ( resid 60 and name hg2# )
     6.0 0.1 0.1 peak 3224 volume 0.000e+00 ppm1 5.020 ppm2 1.247
ASSI ( resid 67 and name hg2# )
     ( resid 67 and name HN )
     6.0 0.1 0.1 peak 3225 volume 0.000e+00 ppm1 -0.019 ppm2 8.271
ASSI ( resid 67 and name hg1# )
     ( resid 67 and name HN )
     6.0 0.1 0.1 peak 3226 volume 0.000e+00 ppm1 0.044 ppm2 8.270
ASSI ( resid 67 and name HB )
     ( resid 67 and name HN )
     6.0 0.1 0.1 peak 3227 volume 0.000e+00 ppm1 1.613 ppm2 8.270
ASSI ( resid 67 and name HA )
     ( resid 67 and name HN )
     6.0 0.1 0.1 peak 3228 volume 0.000e+00 ppm1 4.337 ppm2 8.271
ASSI ( resid 67 and name HA )
     ( resid 67 and name HB )
     6.0 0.1 0.1 peak 3229 volume 0.000e+00 ppm1 4.337 ppm2 1.614
ASSI ( resid 67 and name HA )
     ( resid 67 and name hg2# )
     6.0 0.1 0.1 peak 3230 volume 0.000e+00 ppm1 4.337 ppm2 -0.019
ASSI ( attr store1 < 1.633 and attr store1 > 1.593 )
     ( attr store1 < 6.968 and attr store1 > 6.928 )
     6.0 0.1 0.1 peak 3232 volume 2.900e+02 ppm1 1.613 ppm2 6.948
ASSI ( attr store1 < 4.354 and attr store1 > 4.314 )
     ( attr store1 < 7.025 and attr store1 > 6.985 )
     6.0 0.1 0.1 peak 3233 volume 4.400e+02 ppm1 4.334 ppm2 7.005
ASSI ( attr store1 < 4.359 and attr store1 > 4.319 )
     ( attr store1 < 6.726 and attr store1 > 6.686 )
     6.0 0.1 0.1 peak 3234 volume 5.730e+02 ppm1 4.339 ppm2 6.706
ASSI ( resid 72 and name HZ3 )
     ( resid 96 and name HN )
     6.0 0.1 0.1 peak 3235 volume 7.280e+02 ppm1 6.704 ppm2 8.271
ASSI ( resid 25 and name hg2# )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 3237 volume 4.274e+03 ppm1 1.077 ppm2 6.571
ASSI ( resid 25 and name hg1# )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 3238 volume 1.601e+03 ppm1 1.155 ppm2 6.571
ASSI ( resid 63 and name hd1# )
     ( resid 96 and name HH2 )
     6.0 0.1 0.1 peak 3242 volume 2.430e+02 ppm1 0.269 ppm2 7.037
ASSI ( resid 33 and name hg2# )
     ( resid 98 and name HD1 )
     6.0 0.1 0.1 peak 3244 volume 2.368e+03 ppm1 0.189 ppm2 6.724
ASSI ( attr store1 < 0.286 and attr store1 > 0.246 )
     ( attr store1 < 7.217 and attr store1 > 7.177 )
     6.0 0.1 0.1 peak 3245 volume 0.000e+00 ppm1 0.266 ppm2 7.197
ASSI ( resid 63 and name hd2# )
     ( resid 98 and name HZ2 )
     6.0 0.1 0.1 peak 3246 volume 6.340e+02 ppm1 -0.188 ppm2 7.192
ASSI ( resid 78 and name HA )
     ( resid 77 and name HA )
     6.0 0.1 0.1 peak 3254 volume 0.000e+00 ppm1 5.038 ppm2 5.667
ASSI ( resid 112 and name HA )
     ( resid 113 and name HA )
     6.0 0.1 0.1 peak 3255 volume 0.000e+00 ppm1 5.110 ppm2 5.609
ASSI ( resid 109 and name HA )
     ( resid 110 and name HA )
     6.0 0.1 0.1 peak 3256 volume 0.000e+00 ppm1 5.286 ppm2 5.459
ASSI ( resid 86 and name HA )
     ( resid 85 and name HA )
     6.0 0.1 0.1 peak 3257 volume 0.000e+00 ppm1 4.651 ppm2 5.434
ASSI ( resid 84 and name HA )
     ( resid 85 and name HA )
     6.0 0.1 0.1 peak 3258 volume 0.000e+00 ppm1 4.490 ppm2 5.435
ASSI ( resid 31 and name HA )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 3259 volume 0.000e+00 ppm1 4.309 ppm2 5.683
ASSI ( resid 31 and name HA )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 3260 volume 0.000e+00 ppm1 4.299 ppm2 5.631
ASSI ( attr store1 < 4.444 and attr store1 > 4.404 )
     ( attr store1 < 5.295 and attr store1 > 5.255 )
     6.0 0.1 0.1 peak 3262 volume 0.000e+00 ppm1 4.424 ppm2 5.275
ASSI ( resid 15 and name HA )
     ( resid 15 and name HG13 )
     6.0 0.1 0.1 peak 3264 volume 0.000e+00 ppm1 4.479 ppm2 1.154
ASSI ( resid 15 and name HA )
     ( resid 16 and name HD2 )
     6.0 0.1 0.1 peak 3265 volume 0.000e+00 ppm1 4.476 ppm2 3.876
ASSI ( resid 15 and name HA )
     ( resid 15 and name HG12 )
     6.0 0.1 0.1 peak 3266 volume 0.000e+00 ppm1 4.481 ppm2 1.482
ASSI ( resid 15 and name HA )
     ( resid 15 and name HB )
     6.0 0.1 0.1 peak 3267 volume 0.000e+00 ppm1 4.481 ppm2 1.841
ASSI ( resid 15 and name hg2# )
     ( resid 15 and name hd1# )
     6.0 0.1 0.1 peak 3268 volume 0.000e+00 ppm1 0.948 ppm2 0.798
ASSI ( resid 15 and name HG12 )
     ( resid 15 and name hg2# )
     6.0 0.1 0.1 peak 3269 volume 0.000e+00 ppm1 1.486 ppm2 0.947
ASSI ( resid 100 and name hg2# )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 3270 volume 2.614e+03 ppm1 0.465 ppm2 6.310
ASSI ( resid 100 and name hg2# )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 3271 volume 2.050e+03 ppm1 0.453 ppm2 8.843
ASSI ( attr store1 < 0.591 and attr store1 > 0.551 )
     ( attr store1 < 8.869 and attr store1 > 8.829 )
     6.0 0.1 0.1 peak 3272 volume 4.113e+03 ppm1 0.571 ppm2 8.849
ASSI ( resid 90 and name he# )
     ( resid 90 and name hd# )
     6.0 0.1 0.1 peak 3273 volume 0.000e+00 ppm1 6.869 ppm2 7.197
ASSI ( resid 45 and name HA )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 3274 volume 0.000e+00 ppm1 4.477 ppm2 9.162
ASSI ( resid 45 and name HB3 )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 3275 volume 0.000e+00 ppm1 1.966 ppm2 9.160
ASSI ( resid 89 and name HB2 )
     ( resid 90 and name HN )
     6.0 0.1 0.1 peak 3276 volume 0.000e+00 ppm1 2.907 ppm2 8.356
ASSI ( resid 96 and name HB2 )
     ( resid 97 and name HN )
     6.0 0.1 0.1 peak 3277 volume 0.000e+00 ppm1 2.898 ppm2 8.745
ASSI ( resid 96 and name HB3 )
     ( resid 96 and name HE3 )
     6.0 0.1 0.1 peak 3278 volume 0.000e+00 ppm1 2.652 ppm2 7.322
ASSI ( attr store1 < 4.192 and attr store1 > 4.152 )
     ( attr store1 < 9.095 and attr store1 > 9.055 )
     6.0 0.1 0.1 peak 3280 volume 3.806e+03 ppm1 4.172 ppm2 9.075
ASSI ( resid 72 and name HB2 )
     ( resid 131 and name hg2# )
     6.0 0.1 0.1 peak 3282 weight 0.100e+02 volume 1.846e+03 ppm1 2.908 ppm2 0.742
ASSI ( resid 58 and name HB3 )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 3283 volume 7.410e+02 ppm1 2.526 ppm2 7.914
ASSI ( resid 82 and name he# )
     ( resid 82 and name hb# )
     6.0 0.1 0.1 peak 3284 volume 1.423e+03 ppm1 3.118 ppm2 1.907
ASSI ( resid 82 and name he# )
     ( resid 82 and name HD3 )
     6.0 0.1 0.1 peak 3285 volume 3.857e+03 ppm1 3.118 ppm2 1.721
ASSI ( resid 82 and name he# )
     ( resid 82 and name HG2 )
     6.0 0.1 0.1 peak 3286 volume 3.715e+03 ppm1 3.118 ppm2 1.511
ASSI ( resid 33 and name hg2# )
     ( resid 124 and name HN )
     6.0 0.1 0.1 peak 3287 volume 5.600e+02 ppm1 0.193 ppm2 8.138
ASSI ( resid 76 and name he# )
     ( resid 76 and name HB3 )
     6.0 0.1 0.1 peak 3289 volume 0.000e+00 ppm1 3.256 ppm2 1.786
ASSI ( resid 76 and name he# )
     ( resid 76 and name HB2 )
     6.0 0.1 0.1 peak 3290 volume 0.000e+00 ppm1 3.256 ppm2 1.891
ASSI ( attr store1 < 1.445 and attr store1 > 1.405 )
     ( attr store1 < 0.438 and attr store1 > 0.398 )
     6.0 0.1 0.1 peak 3291 volume 3.650e+03 ppm1 1.425 ppm2 0.418
ASSI ( attr store1 < 0.969 and attr store1 > 0.929 )
     ( attr store1 < -0.515 and attr store1 > -0.555 )
     6.0 0.1 0.1 peak 3292 volume 3.177e+03 ppm1 0.949 ppm2 -0.535
ASSI ( attr store1 < 4.052 and attr store1 > 4.012 )
     ( attr store1 < 3.029 and attr store1 > 2.989 )
     6.0 0.1 0.1 peak 3294 volume 7.060e+02 ppm1 4.032 ppm2 3.009
ASSI ( resid 57 and name HA )
     ( resid 58 and name HB2 )
     6.0 0.1 0.1 peak 3295 volume 0.000e+00 ppm1 4.030 ppm2 2.780
ASSI ( resid 97 and name HB )
     ( resid 97 and name HN )
     6.0 0.1 0.1 peak 3296 volume 0.000e+00 ppm1 1.254 ppm2 8.723
ASSI ( resid 97 and name HB )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 3297 volume 0.000e+00 ppm1 1.254 ppm2 -0.533
ASSI ( resid 97 and name HB )
     ( resid 97 and name hg1# )
     6.0 0.1 0.1 peak 3298 volume 0.000e+00 ppm1 1.258 ppm2 0.418
ASSI ( resid 97 and name HA )
     ( resid 97 and name HB )
     6.0 0.1 0.1 peak 3299 volume 0.000e+00 ppm1 4.425 ppm2 1.258
ASSI ( resid 60 and name HG1 )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 3300 volume 0.000e+00 ppm1 5.846 ppm2 8.843
ASSI ( resid 60 and name HG1 )
     ( resid 60 and name HB )
     6.0 0.1 0.1 peak 3301 volume 0.000e+00 ppm1 5.846 ppm2 3.614
ASSI ( resid 60 and name HG1 )
     ( resid 60 and name hg2# )
     6.0 0.1 0.1 peak 3302 volume 0.000e+00 ppm1 5.846 ppm2 1.249
ASSI ( resid 116 and name HA )
     ( resid 116 and name HB )
     6.0 0.1 0.1 peak 3303 volume 0.000e+00 ppm1 4.879 ppm2 2.501
ASSI ( resid 116 and name hg2# )
     ( resid 117 and name HN )
     6.0 0.1 0.1 peak 3304 volume 0.000e+00 ppm1 0.875 ppm2 9.135
ASSI ( resid 28 and name HD2 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 3305 volume 0.000e+00 ppm1 1.512 ppm2 8.427
ASSI ( resid 28 and name HA )
     ( resid 28 and name HD2 )
     6.0 0.1 0.1 peak 3306 volume 0.000e+00 ppm1 4.347 ppm2 1.504
ASSI ( resid 28 and name HB2 )
     ( resid 28 and name HD2 )
     6.0 0.1 0.1 peak 3307 volume 0.000e+00 ppm1 2.071 ppm2 1.506
ASSI ( resid 82 and name HA )
     ( resid 82 and name HD2 )
     6.0 0.1 0.1 peak 3308 volume 0.000e+00 ppm1 4.977 ppm2 1.789
ASSI ( resid 82 and name he# )
     ( resid 82 and name HD2 )
     6.0 0.1 0.1 peak 3309 volume 0.000e+00 ppm1 3.117 ppm2 1.789
ASSI ( resid 86 and name HB2 )
     ( resid 86 and name he# )
     6.0 0.1 0.1 peak 3313 volume 0.000e+00 ppm1 2.644 ppm2 6.659
ASSI ( resid 78 and name HB3 )
     ( resid 82 and name HD2 )
     6.0 0.1 0.1 peak 3314 volume 0.000e+00 ppm1 2.443 ppm2 1.789
ASSI ( resid 82 and name HD2 )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 3315 volume 0.000e+00 ppm1 1.790 ppm2 7.618
ASSI ( resid 112 and name HA )
     ( resid 112 and name HG )
     6.0 0.1 0.1 peak 3316 volume 0.000e+00 ppm1 5.111 ppm2 1.081
ASSI ( resid 112 and name HB2 )
     ( resid 112 and name HG )
     6.0 0.1 0.1 peak 3317 volume 0.000e+00 ppm1 2.112 ppm2 1.081
ASSI ( resid 112 and name HB3 )
     ( resid 112 and name hd1# )
     6.0 0.1 0.1 peak 3318 volume 0.000e+00 ppm1 1.143 ppm2 0.495
ASSI ( resid 112 and name HB3 )
     ( resid 112 and name hd2# )
     6.0 0.1 0.1 peak 3319 volume 0.000e+00 ppm1 1.143 ppm2 0.446
ASSI ( resid 112 and name HG )
     ( resid 112 and name hd1# )
     6.0 0.1 0.1 peak 3320 volume 0.000e+00 ppm1 1.079 ppm2 0.495
ASSI ( resid 112 and name HG )
     ( resid 112 and name hd2# )
     6.0 0.1 0.1 peak 3321 volume 0.000e+00 ppm1 1.082 ppm2 0.446
ASSI ( resid 29 and name HA1 )
     ( resid 26 and name hb# )
     6.0 0.1 0.1 peak 3322 volume 1.120e+03 ppm1 4.336 ppm2 2.466
ASSI ( resid 120 and name HA )
     ( resid 120 and name HB2 )
     6.0 0.1 0.1 peak 3325 volume 0.000e+00 ppm1 4.347 ppm2 1.680
ASSI ( resid 120 and name HA )
     ( resid 120 and name hd# )
     6.0 0.1 0.1 peak 3326 volume 0.000e+00 ppm1 4.347 ppm2 1.198
ASSI ( resid 120 and name he# )
     ( resid 120 and name hd# )
     6.0 0.1 0.1 peak 3327 volume 0.000e+00 ppm1 2.803 ppm2 1.198
ASSI ( resid 120 and name he# )
     ( resid 120 and name HB3 )
     6.0 0.1 0.1 peak 3328 volume 0.000e+00 ppm1 2.806 ppm2 1.610
ASSI ( resid 120 and name he# )
     ( resid 120 and name HB2 )
     6.0 0.1 0.1 peak 3329 volume 0.000e+00 ppm1 2.806 ppm2 1.680
ASSI ( resid 120 and name HB2 )
     ( resid 120 and name HN )
     6.0 0.1 0.1 peak 3330 volume 0.000e+00 ppm1 1.680 ppm2 8.536
ASSI ( resid 120 and name HA )
     ( resid 120 and name he# )
     6.0 0.1 0.1 peak 3331 volume 0.000e+00 ppm1 4.347 ppm2 2.805
ASSI ( resid 120 and name HA )
     ( resid 120 and name HN )
     6.0 0.1 0.1 peak 3332 volume 0.000e+00 ppm1 4.347 ppm2 8.537
ASSI ( resid 121 and name HA )
     ( resid 121 and name hb# )
     6.0 0.1 0.1 peak 3334 volume 0.000e+00 ppm1 4.291 ppm2 2.292
ASSI ( resid 121 and name HA )
     ( resid 121 and name hg# )
     6.0 0.1 0.1 peak 3335 volume 0.000e+00 ppm1 4.291 ppm2 1.898
ASSI ( resid 121 and name hb# )
     ( resid 121 and name hg# )
     6.0 0.1 0.1 peak 3336 volume 0.000e+00 ppm1 2.294 ppm2 1.898
ASSI ( resid 120 and name HA )
     ( resid 121 and name HN )
     6.0 0.1 0.1 peak 3337 volume 0.000e+00 ppm1 4.345 ppm2 8.376
ASSI ( resid 118 and name HA )
     ( resid 118 and name HB2 )
     6.0 0.1 0.1 peak 3338 volume 0.000e+00 ppm1 4.750 ppm2 2.764
ASSI ( resid 118 and name HA )
     ( resid 118 and name HB3 )
     6.0 0.1 0.1 peak 3339 volume 0.000e+00 ppm1 4.750 ppm2 2.511
ASSI ( resid 118 and name HB3 )
     ( resid 118 and name HN )
     6.0 0.1 0.1 peak 3340 volume 0.000e+00 ppm1 2.511 ppm2 8.011
ASSI ( resid 118 and name HB3 )
     ( resid 119 and name HN )
     6.0 0.1 0.1 peak 3341 volume 0.000e+00 ppm1 2.509 ppm2 8.393
ASSI ( resid 118 and name HA )
     ( resid 119 and name HN )
     6.0 0.1 0.1 peak 3342 volume 0.000e+00 ppm1 4.750 ppm2 8.393
ASSI ( resid 119 and name HB2 )
     ( resid 119 and name HB3 )
     6.0 0.1 0.1 peak 3343 volume 0.000e+00 ppm1 2.678 ppm2 2.586
ASSI ( resid 16 and name hb# )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 3344 volume 0.000e+00 ppm1 2.114 ppm2 8.461
ASSI ( resid 59 and name he# )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 3345 volume 4.180e+02 ppm1 2.071 ppm2 9.254
ASSI ( resid 50 and name HA )
     ( resid 50 and name hd2# )
     6.0 0.1 0.1 peak 3346 volume 0.000e+00 ppm1 4.776 ppm2 0.726
ASSI ( resid 50 and name HG )
     ( resid 50 and name hd1# )
     6.0 0.1 0.1 peak 3347 volume 0.000e+00 ppm1 1.481 ppm2 1.013
ASSI ( resid 50 and name HG )
     ( resid 50 and name hd2# )
     6.0 0.1 0.1 peak 3348 volume 0.000e+00 ppm1 1.482 ppm2 0.726
ASSI ( resid 50 and name hd1# )
     ( resid 50 and name hd2# )
     6.0 0.1 0.1 peak 3349 volume 0.000e+00 ppm1 1.013 ppm2 0.726
ASSI ( resid 50 and name hd2# )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 3350 volume 0.000e+00 ppm1 0.727 ppm2 8.387
ASSI ( resid 50 and name hd1# )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 3351 volume 0.000e+00 ppm1 1.013 ppm2 9.271
ASSI ( resid 50 and name hd2# )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 3352 volume 0.000e+00 ppm1 0.727 ppm2 9.271
ASSI ( attr store1 < 2.096 and attr store1 > 2.056 )
     ( attr store1 < 1.029 and attr store1 > 0.989 )
     6.0 0.1 0.1 peak 3353 volume 2.002e+03 ppm1 2.076 ppm2 1.009
ASSI ( resid 115 and name HB )
     ( resid 115 and name HN )
     6.0 0.1 0.1 peak 3354 volume 0.000e+00 ppm1 4.285 ppm2 8.770
ASSI ( resid 115 and name HA )
     ( resid 115 and name HN )
     6.0 0.1 0.1 peak 3355 volume 0.000e+00 ppm1 4.863 ppm2 8.770
ASSI ( resid 115 and name hg2# )
     ( resid 115 and name HN )
     6.0 0.1 0.1 peak 3356 volume 0.000e+00 ppm1 1.332 ppm2 8.770
ASSI ( resid 115 and name HA )
     ( resid 115 and name hg2# )
     6.0 0.1 0.1 peak 3357 volume 0.000e+00 ppm1 4.864 ppm2 1.331
ASSI ( resid 114 and name HA )
     ( resid 115 and name HN )
     6.0 0.1 0.1 peak 3358 volume 0.000e+00 ppm1 5.280 ppm2 8.770
ASSI ( resid 119 and name HA )
     ( resid 120 and name HN )
     6.0 0.1 0.1 peak 3365 volume 0.000e+00 ppm1 4.530 ppm2 8.536
ASSI ( resid 83 and name HA )
     ( resid 49 and name hg1# )
     6.0 0.1 0.1 peak 3375 volume 1.840e+03 ppm1 4.124 ppm2 0.752
ASSI ( attr store1 < 3.584 and attr store1 > 3.544 )
     ( attr store1 < 0.599 and attr store1 > 0.559 )
     6.0 0.1 0.1 peak 3376 volume 1.197e+03 ppm1 3.564 ppm2 0.579
ASSI ( attr store1 < 4.113 and attr store1 > 4.073 )
     ( attr store1 < 8.633 and attr store1 > 8.593 )
     6.0 0.1 0.1 peak 3377 volume 3.261e+03 ppm1 4.093 ppm2 8.613
ASSI ( attr store1 < 4.113 and attr store1 > 4.073 )
     ( attr store1 < 7.307 and attr store1 > 7.267 )
     6.0 0.1 0.1 peak 3378 volume 0.000e+00 ppm1 4.093 ppm2 7.287
ASSI ( resid 63 and name hd1# )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 3380 volume 0.000e+00 ppm1 0.266 ppm2 7.463
ASSI ( resid 74 and name HA )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 3381 volume 0.000e+00 ppm1 4.423 ppm2 7.465
ASSI ( resid 80 and name HA )
     ( resid 50 and name hb# )
     6.0 0.1 0.1 peak 3382 volume 1.914e+03 ppm1 3.587 ppm2 1.708
ASSI ( resid 21 and name HB2 )
     ( resid 33 and name hd1# )
     6.0 0.1 0.1 peak 3383 volume 1.942e+03 ppm1 3.260 ppm2 0.506
ASSI ( resid 85 and name HN )
     ( resid 86 and name HN )
     6.0 0.1 0.1 peak 3384 volume 0.000e+00 ppm1 8.200 ppm2 8.870
ASSI ( attr store1 < 2.87 and attr store1 > 2.83 )
     ( attr store1 < 0.925 and attr store1 > 0.885 )
     6.0 0.1 0.1 peak 3385 volume 5.038e+03 ppm1 2.850 ppm2 0.905
ASSI ( attr store1 < 2.986 and attr store1 > 2.946 )
     ( attr store1 < 0.922 and attr store1 > 0.882 )
     6.0 0.1 0.1 peak 3386 volume 9.480e+02 ppm1 2.966 ppm2 0.902
ASSI ( resid 101 and name HA )
     ( resid 30 and name HB3 )
     6.0 0.1 0.1 peak 3387 volume 3.830e+02 ppm1 4.883 ppm2 1.735
ASSI ( attr store1 < 8.45 and attr store1 > 8.41 )
     ( attr store1 < 8.86 and attr store1 > 8.82 )
     6.0 0.1 0.1 peak 3392 volume 7.450e+02 ppm1 8.430 ppm2 8.840
ASSI ( attr store1 < 9.336 and attr store1 > 9.296 )
     ( attr store1 < 9.595 and attr store1 > 9.555 )
     6.0 0.1 0.1 peak 3393 volume 7.450e+02 ppm1 9.316 ppm2 9.575
ASSI ( attr store1 < 8.293 and attr store1 > 8.253 )
     ( attr store1 < 8.949 and attr store1 > 8.909 )
     6.0 0.1 0.1 peak 3394 volume 2.470e+02 ppm1 8.273 ppm2 8.929
ASSI ( attr store1 < 0.921 and attr store1 > 0.881 )
     ( attr store1 < 6.86 and attr store1 > 6.82 )
     6.0 0.1 0.1 peak 3396 volume 1.001e+04 ppm1 0.901 ppm2 6.840
ASSI ( resid 61 and name hd1# )
     ( resid 112 and name hd1# )
     6.0 0.1 0.1 peak 3404 volume 9.782e+03 ppm1 0.902 ppm2 0.496
ASSI ( attr store1 < 0.922 and attr store1 > 0.882 )
     ( attr store1 < 6.678 and attr store1 > 6.638 )
     6.0 0.1 0.1 peak 3405 volume 4.249e+03 ppm1 0.902 ppm2 6.658
ASSI ( resid 61 and name hd1# )
     ( resid 112 and name hd2# )
     6.0 0.1 0.1 peak 3406 volume 4.817e+03 ppm1 0.902 ppm2 0.447
ASSI ( resid 113 and name HB3 )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 3408 volume 4.380e+02 ppm1 2.392 ppm2 8.354
ASSI ( resid 116 and name hg2# )
     ( resid 118 and name HN )
     6.0 0.1 0.1 peak 3409 volume 6.560e+02 ppm1 0.872 ppm2 8.012
ASSI ( resid 56 and name HA )
     ( resid 55 and name HB )
     6.0 0.1 0.1 peak 3410 volume 0.000e+00 ppm1 4.878 ppm2 2.193
ASSI ( resid 56 and name HA )
     ( resid 55 and name hg# )
     6.0 0.1 0.1 peak 3411 volume 0.000e+00 ppm1 4.878 ppm2 1.024
ASSI ( resid 125 and name HA )
     ( resid 33 and name hd1# )
     6.0 0.1 0.1 peak 3413 volume 9.680e+02 ppm1 4.077 ppm2 0.506
ASSI ( resid 113 and name HB2 )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 3414 volume 6.390e+02 ppm1 2.680 ppm2 6.569
ASSI ( resid 113 and name HB3 )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 3415 volume 1.948e+03 ppm1 2.392 ppm2 6.569
ASSI ( resid 102 and name HB3 )
     ( resid 25 and name hg1# )
     6.0 0.1 0.1 peak 3416 volume 5.130e+02 ppm1 2.421 ppm2 1.153
ASSI ( resid 102 and name HB2 )
     ( resid 25 and name hg1# )
     6.0 0.1 0.1 peak 3417 volume 3.470e+02 ppm1 3.307 ppm2 1.153
ASSI ( attr store1 < 1.48 and attr store1 > 1.44 )
     ( attr store1 < 9.925 and attr store1 > 9.885 )
     6.0 0.1 0.1 peak 3418 volume 3.657e+03 ppm1 1.460 ppm2 9.905
ASSI ( attr store1 < 4.013 and attr store1 > 3.973 )
     ( attr store1 < 0.491 and attr store1 > 0.451 )
     6.0 0.1 0.1 peak 3419 volume 1.171e+03 ppm1 3.993 ppm2 0.471
ASSI ( attr store1 < 4.646 and attr store1 > 4.606 )
     ( attr store1 < 5.619 and attr store1 > 5.579 )
     6.0 0.1 0.1 peak 3426 volume 0.000e+00 ppm1 4.626 ppm2 5.599
ASSI ( resid 108 and name HA )
     ( resid 109 and name HB2 )
     6.0 0.1 0.1 peak 3429 volume 4.500e+02 ppm1 4.903 ppm2 2.837
ASSI ( attr store1 < 4.745 and attr store1 > 4.705 )
     ( attr store1 < 1.345 and attr store1 > 1.305 )
     6.0 0.1 0.1 peak 3443 volume 2.921e+03 ppm1 4.725 ppm2 1.325
ASSI ( attr store1 < 4.755 and attr store1 > 4.715 )
     ( attr store1 < 1.533 and attr store1 > 1.493 )
     6.0 0.1 0.1 peak 3444 volume 3.373e+03 ppm1 4.735 ppm2 1.513
ASSI ( attr store1 < 5.128 and attr store1 > 5.088 )
     ( attr store1 < 0.613 and attr store1 > 0.573 )
     6.0 0.1 0.1 peak 3445 volume 0.000e+00 ppm1 5.108 ppm2 0.593
ASSI ( attr store1 < 2.837 and attr store1 > 2.797 )
     ( attr store1 < 0.682 and attr store1 > 0.642 )
     6.0 0.1 0.1 peak 3448 volume 1.204e+03 ppm1 2.817 ppm2 0.662
ASSI ( attr store1 < 1.283 and attr store1 > 1.243 )
     ( attr store1 < 0.886 and attr store1 > 0.846 )
     6.0 0.1 0.1 peak 3449 volume 0.000e+00 ppm1 1.263 ppm2 0.866
ASSI ( attr store1 < 1.938 and attr store1 > 1.898 )
     ( attr store1 < 0.49 and attr store1 > 0.45 )
     6.0 0.1 0.1 peak 3451 volume 5.100e+03 ppm1 1.918 ppm2 0.470
ASSI ( attr store1 < 1.733 and attr store1 > 1.693 )
     ( attr store1 < 0.49 and attr store1 > 0.45 )
     6.0 0.1 0.1 peak 3452 volume 5.582e+03 ppm1 1.713 ppm2 0.470
ASSI ( resid 131 and name hg1# )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 3453 volume 4.860e+02 ppm1 0.850 ppm2 -0.534
ASSI ( attr store1 < 0.695 and attr store1 > 0.655 )
     ( attr store1 < -0.514 and attr store1 > -0.554 )
     6.0 0.1 0.1 peak 3454 volume 3.150e+02 ppm1 0.675 ppm2 -0.534
ASSI ( attr store1 < 0.922 and attr store1 > 0.882 )
     ( attr store1 < 9.997 and attr store1 > 9.957 )
     6.0 0.1 0.1 peak 3457 volume 1.415e+03 ppm1 0.902 ppm2 9.977
ASSI ( attr store1 < 5.659 and attr store1 > 5.619 )
     ( attr store1 < 9.999 and attr store1 > 9.959 )
     6.0 0.1 0.1 peak 3458 volume 2.080e+02 ppm1 5.639 ppm2 9.979
ASSI ( resid 45 and name HN )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 3460 volume 1.920e+02 ppm1 8.372 ppm2 9.161
ASSI ( attr store1 < 1.085 and attr store1 > 1.045 )
     ( attr store1 < 9.089 and attr store1 > 9.049 )
     6.0 0.1 0.1 peak 3463 volume 3.132e+03 ppm1 1.065 ppm2 9.069
ASSI ( attr store1 < 1.276 and attr store1 > 1.236 )
     ( attr store1 < 8.963 and attr store1 > 8.923 )
     6.0 0.1 0.1 peak 3465 volume 3.390e+02 ppm1 1.256 ppm2 8.943
ASSI ( attr store1 < 0.208 and attr store1 > 0.168 )
     ( attr store1 < 9.227 and attr store1 > 9.187 )
     6.0 0.1 0.1 peak 3467 volume 2.790e+02 ppm1 0.188 ppm2 9.207
ASSI ( attr store1 < 0.872 and attr store1 > 0.832 )
     ( attr store1 < 8.706 and attr store1 > 8.666 )
     6.0 0.1 0.1 peak 3469 volume 1.373e+03 ppm1 0.852 ppm2 8.686
ASSI ( attr store1 < 1.755 and attr store1 > 1.715 )
     ( attr store1 < 8.88 and attr store1 > 8.84 )
     6.0 0.1 0.1 peak 3470 volume 4.867e+03 ppm1 1.735 ppm2 8.860
ASSI ( attr store1 < 1.856 and attr store1 > 1.816 )
     ( attr store1 < 8.686 and attr store1 > 8.646 )
     6.0 0.1 0.1 peak 3471 volume 3.417e+03 ppm1 1.836 ppm2 8.666
ASSI ( attr store1 < 2.079 and attr store1 > 2.039 )
     ( attr store1 < 8.668 and attr store1 > 8.628 )
     6.0 0.1 0.1 peak 3474 volume 3.535e+03 ppm1 2.059 ppm2 8.648
ASSI ( attr store1 < 4.752 and attr store1 > 4.712 )
     ( attr store1 < 7.112 and attr store1 > 7.072 )
     6.0 0.1 0.1 peak 3481 volume 8.720e+02 ppm1 4.732 ppm2 7.092
ASSI ( attr store1 < 0.141 and attr store1 > 0.101 )
     ( attr store1 < 7.157 and attr store1 > 7.117 )
     6.0 0.1 0.1 peak 3491 volume 7.660e+02 ppm1 0.121 ppm2 7.137
ASSI ( attr store1 < 1.276 and attr store1 > 1.236 )
     ( attr store1 < 7.118 and attr store1 > 7.078 )
     6.0 0.1 0.1 peak 3492 volume 1.484e+03 ppm1 1.256 ppm2 7.098
ASSI ( attr store1 < 1.164 and attr store1 > 1.124 )
     ( attr store1 < 7.106 and attr store1 > 7.066 )
     6.0 0.1 0.1 peak 3496 volume 3.520e+02 ppm1 1.144 ppm2 7.086
ASSI ( attr store1 < 1.93 and attr store1 > 1.89 )
     ( attr store1 < 6.591 and attr store1 > 6.551 )
     6.0 0.1 0.1 peak 3497 volume 1.143e+03 ppm1 1.910 ppm2 6.571
ASSI ( attr store1 < 1.268 and attr store1 > 1.228 )
     ( attr store1 < 7.025 and attr store1 > 6.985 )
     6.0 0.1 0.1 peak 3499 volume 1.700e+02 ppm1 1.248 ppm2 7.005
ASSI ( attr store1 < 2.847 and attr store1 > 2.807 )
     ( attr store1 < 7.025 and attr store1 > 6.985 )
     6.0 0.1 0.1 peak 3500 volume 2.952e+03 ppm1 2.827 ppm2 7.005
ASSI ( attr store1 < 2.548 and attr store1 > 2.508 )
     ( attr store1 < 6.89 and attr store1 > 6.85 )
     6.0 0.1 0.1 peak 3503 volume 4.970e+02 ppm1 2.528 ppm2 6.870
ASSI ( attr store1 < 3.789 and attr store1 > 3.749 )
     ( attr store1 < 6.675 and attr store1 > 6.635 )
     6.0 0.1 0.1 peak 3511 volume 1.870e+02 ppm1 3.769 ppm2 6.655
ASSI ( attr store1 < 1.686 and attr store1 > 1.646 )
     ( attr store1 < -0.516 and attr store1 > -0.556 )
     6.0 0.1 0.1 peak 3522 volume 5.090e+02 ppm1 1.666 ppm2 -0.536
ASSI ( attr store1 < 5.262 and attr store1 > 5.222 )
     ( attr store1 < 0.435 and attr store1 > 0.395 )
     6.0 0.1 0.1 peak 3525 volume 2.270e+03 ppm1 5.242 ppm2 0.415
ASSI ( attr store1 < 5.296 and attr store1 > 5.256 )
     ( attr store1 < -0.174 and attr store1 > -0.214 )
     6.0 0.1 0.1 peak 3528 volume 4.420e+02 ppm1 5.276 ppm2 -0.194
ASSI ( attr store1 < 2.993 and attr store1 > 2.953 )
     ( attr store1 < 0.432 and attr store1 > 0.392 )
     6.0 0.1 0.1 peak 3531 volume 6.660e+02 ppm1 2.973 ppm2 0.412
ASSI ( attr store1 < 2.869 and attr store1 > 2.829 )
     ( attr store1 < 0.464 and attr store1 > 0.424 )
     6.0 0.1 0.1 peak 3532 volume 2.883e+03 ppm1 2.849 ppm2 0.444
ASSI ( attr store1 < 0.554 and attr store1 > 0.514 )
     ( attr store1 < 0.284 and attr store1 > 0.244 )
     6.0 0.1 0.1 peak 3537 volume 3.494e+03 ppm1 0.534 ppm2 0.264
ASSI ( attr store1 < 0.609 and attr store1 > 0.569 )
     ( attr store1 < 0.284 and attr store1 > 0.244 )
     6.0 0.1 0.1 peak 3538 volume 1.100e+03 ppm1 0.589 ppm2 0.264
ASSI ( attr store1 < 0.466 and attr store1 > 0.426 )
     ( attr store1 < 0.2 and attr store1 > 0.16 )
     6.0 0.1 0.1 peak 3539 volume 2.056e+03 ppm1 0.446 ppm2 0.180
ASSI ( attr store1 < 0.695 and attr store1 > 0.655 )
     ( attr store1 < 0.428 and attr store1 > 0.388 )
     6.0 0.1 0.1 peak 3547 volume 1.852e+03 ppm1 0.675 ppm2 0.408
ASSI ( attr store1 < 0.754 and attr store1 > 0.714 )
     ( attr store1 < 0.436 and attr store1 > 0.396 )
     6.0 0.1 0.1 peak 3548 volume 2.366e+03 ppm1 0.734 ppm2 0.416
ASSI ( attr store1 < 0.875 and attr store1 > 0.835 )
     ( attr store1 < 0.574 and attr store1 > 0.534 )
     6.0 0.1 0.1 peak 3549 volume 3.988e+03 ppm1 0.855 ppm2 0.554
ASSI ( attr store1 < 3.287 and attr store1 > 3.247 )
     ( attr store1 < 1.166 and attr store1 > 1.126 )
     6.0 0.1 0.1 peak 3552 volume 3.100e+02 ppm1 3.267 ppm2 1.146
ASSI ( attr store1 < 2.897 and attr store1 > 2.857 )
     ( attr store1 < 1.046 and attr store1 > 1.006 )
     6.0 0.1 0.1 peak 3554 volume 3.810e+02 ppm1 2.877 ppm2 1.026
ASSI ( attr store1 < 1.874 and attr store1 > 1.834 )
     ( attr store1 < 0.746 and attr store1 > 0.706 )
     6.0 0.1 0.1 peak 3556 volume 1.914e+03 ppm1 1.854 ppm2 0.726
ASSI ( attr store1 < 3.722 and attr store1 > 3.682 )
     ( attr store1 < 1.085 and attr store1 > 1.045 )
     6.0 0.1 0.1 peak 3557 volume 1.025e+03 ppm1 3.702 ppm2 1.065
ASSI ( attr store1 < 5.269 and attr store1 > 5.229 )
     ( attr store1 < 0.726 and attr store1 > 0.686 )
     6.0 0.1 0.1 peak 3558 volume 1.097e+03 ppm1 5.249 ppm2 0.706
ASSI ( attr store1 < 4.752 and attr store1 > 4.712 )
     ( attr store1 < 0.758 and attr store1 > 0.718 )
     6.0 0.1 0.1 peak 3559 volume 5.321e+03 ppm1 4.732 ppm2 0.738
ASSI ( attr store1 < 4.493 and attr store1 > 4.453 )
     ( attr store1 < 0.758 and attr store1 > 0.718 )
     6.0 0.1 0.1 peak 3560 volume 3.040e+03 ppm1 4.473 ppm2 0.738
ASSI ( attr store1 < 4.483 and attr store1 > 4.443 )
     ( attr store1 < 0.718 and attr store1 > 0.678 )
     6.0 0.1 0.1 peak 3561 volume 6.927e+03 ppm1 4.463 ppm2 0.698
ASSI ( attr store1 < 4.382 and attr store1 > 4.342 )
     ( attr store1 < 1.085 and attr store1 > 1.045 )
     6.0 0.1 0.1 peak 3564 volume 1.857e+03 ppm1 4.362 ppm2 1.065
ASSI ( attr store1 < 4.52 and attr store1 > 4.48 )
     ( attr store1 < 1.122 and attr store1 > 1.082 )
     6.0 0.1 0.1 peak 3565 volume 4.382e+03 ppm1 4.500 ppm2 1.102
ASSI ( attr store1 < 5.602 and attr store1 > 5.562 )
     ( attr store1 < 1.474 and attr store1 > 1.434 )
     6.0 0.1 0.1 peak 3566 volume 5.530e+02 ppm1 5.582 ppm2 1.454
ASSI ( attr store1 < 5.463 and attr store1 > 5.423 )
     ( attr store1 < 2.322 and attr store1 > 2.282 )
     6.0 0.1 0.1 peak 3568 volume 9.330e+02 ppm1 5.443 ppm2 2.302
ASSI ( attr store1 < 1.985 and attr store1 > 1.945 )
     ( attr store1 < 1.583 and attr store1 > 1.543 )
     6.0 0.1 0.1 peak 3582 volume 7.140e+02 ppm1 1.965 ppm2 1.563
ASSI ( attr store1 < 3.04 and attr store1 > 3.0 )
     ( attr store1 < 2.904 and attr store1 > 2.864 )
     6.0 0.1 0.1 peak 3584 volume 6.323e+03 ppm1 3.020 ppm2 2.884
ASSI ( attr store1 < 3.598 and attr store1 > 3.558 )
     ( attr store1 < 3.055 and attr store1 > 3.015 )
     6.0 0.1 0.1 peak 3587 volume 2.150e+02 ppm1 3.578 ppm2 3.035
ASSI ( attr store1 < 4.048 and attr store1 > 4.008 )
     ( attr store1 < 2.751 and attr store1 > 2.711 )
     6.0 0.1 0.1 peak 3590 volume 1.940e+02 ppm1 4.028 ppm2 2.731
ASSI ( resid 130 and name HD2 )
     ( resid 130 and name HD3 )
     6.0 0.1 0.1 peak 3592 volume 0.000e+00 ppm1 3.872 ppm2 3.688
ASSI ( attr store1 < 3.892 and attr store1 > 3.852 )
     ( attr store1 < 3.708 and attr store1 > 3.668 )
     6.0 0.1 0.1 peak 3593 volume 0.000e+00 ppm1 3.872 ppm2 3.688
ASSI ( attr store1 < 0.87 and attr store1 > 0.83 )
     ( attr store1 < 9.803 and attr store1 > 9.763 )
     6.0 0.1 0.1 peak 3594 volume 6.920e+02 ppm1 0.850 ppm2 9.783
ASSI ( resid 97 and name HA )
     ( resid 98 and name HN )
     6.0 0.1 0.1 peak 3596 volume 0.000e+00 ppm1 4.421 ppm2 9.210
ASSI ( attr store1 < 1.036 and attr store1 > 0.996 )
     ( attr store1 < 6.519 and attr store1 > 6.479 )
     6.0 0.1 0.1 peak 3597 volume 0.000e+00 ppm1 1.016 ppm2 6.499
ASSI ( attr store1 < 1.036 and attr store1 > 0.996 )
     ( attr store1 < 6.332 and attr store1 > 6.292 )
     6.0 0.1 0.1 peak 3598 volume 0.000e+00 ppm1 1.016 ppm2 6.312
ASSI ( resid 103 and name HD21 )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 3599 volume 1.234e+03 ppm1 7.111 ppm2 8.843
ASSI ( resid 80 and name hd1# )
     ( resid 80 and name hg1# )
     6.0 0.1 0.1 peak 3600 volume 0.000e+00 ppm1 1.459 ppm2 1.051
ASSI ( resid 80 and name hd1# )
     ( resid 80 and name HN )
     6.0 0.1 0.1 peak 3601 volume 0.000e+00 ppm1 1.459 ppm2 7.818
ASSI ( attr store1 < 3.61 and attr store1 > 3.57 )
     ( attr store1 < 8.413 and attr store1 > 8.373 )
     6.0 0.1 0.1 peak 3602 volume 0.000e+00 ppm1 3.590 ppm2 8.393
ASSI ( attr store1 < 3.636 and attr store1 > 3.596 )
     ( attr store1 < 1.323 and attr store1 > 1.283 )
     6.0 0.1 0.1 peak 3603 volume 1.630e+03 ppm1 3.616 ppm2 1.303
ASSI ( resid 28 and name HB3 )
     ( resid 28 and name hg# )
     6.0 0.1 0.1 peak 3604 volume 0.000e+00 ppm1 1.979 ppm2 1.128
ASSI ( resid 28 and name HB3 )
     ( resid 28 and name HD3 )
     6.0 0.1 0.1 peak 3605 volume 0.000e+00 ppm1 1.979 ppm2 1.378
ASSI ( resid 28 and name HB3 )
     ( resid 28 and name HD2 )
     6.0 0.1 0.1 peak 3606 volume 0.000e+00 ppm1 1.979 ppm2 1.505
ASSI ( resid 28 and name HA )
     ( resid 28 and name HB3 )
     6.0 0.1 0.1 peak 3607 volume 0.000e+00 ppm1 4.346 ppm2 1.979
ASSI ( resid 28 and name he# )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 3608 volume 0.000e+00 ppm1 2.882 ppm2 2.070
ASSI ( resid 28 and name he# )
     ( resid 28 and name HB3 )
     6.0 0.1 0.1 peak 3609 volume 0.000e+00 ppm1 2.882 ppm2 1.979
ASSI ( resid 28 and name he# )
     ( resid 28 and name HD2 )
     6.0 0.1 0.1 peak 3610 volume 0.000e+00 ppm1 2.882 ppm2 1.505
ASSI ( resid 28 and name he# )
     ( resid 28 and name HD3 )
     6.0 0.1 0.1 peak 3611 volume 0.000e+00 ppm1 2.882 ppm2 1.379
ASSI ( resid 28 and name he# )
     ( resid 28 and name hg# )
     6.0 0.1 0.1 peak 3612 volume 0.000e+00 ppm1 2.882 ppm2 1.128
ASSI ( resid 28 and name HB3 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 3613 volume 0.000e+00 ppm1 1.979 ppm2 8.427
ASSI ( resid 91 and name hg2# )
     ( resid 91 and name HN )
     6.0 0.1 0.1 peak 3614 volume 0.000e+00 ppm1 1.207 ppm2 8.295
ASSI ( resid 90 and name HB2 )
     ( resid 91 and name HN )
     6.0 0.1 0.1 peak 3615 volume 0.000e+00 ppm1 3.166 ppm2 8.295
ASSI ( resid 91 and name HB )
     ( resid 91 and name HN )
     6.0 0.1 0.1 peak 3616 volume 0.000e+00 ppm1 4.154 ppm2 8.297
ASSI ( resid 91 and name HA )
     ( resid 91 and name HN )
     6.0 0.1 0.1 peak 3617 volume 0.000e+00 ppm1 4.259 ppm2 8.296
ASSI ( resid 90 and name HA )
     ( resid 91 and name HN )
     6.0 0.1 0.1 peak 3618 volume 0.000e+00 ppm1 4.663 ppm2 8.295
ASSI ( resid 91 and name HA )
     ( resid 91 and name hg2# )
     6.0 0.1 0.1 peak 3619 volume 0.000e+00 ppm1 4.259 ppm2 1.214
ASSI ( resid 91 and name HB )
     ( resid 91 and name hg2# )
     6.0 0.1 0.1 peak 3620 volume 0.000e+00 ppm1 4.154 ppm2 1.214
ASSI ( resid 91 and name HA )
     ( resid 91 and name HB )
     6.0 0.1 0.1 peak 3621 volume 0.000e+00 ppm1 4.259 ppm2 4.153
ASSI ( resid 96 and name HZ3 )
     ( resid 96 and name HE3 )
     6.0 0.1 0.1 peak 3622 volume 0.000e+00 ppm1 6.796 ppm2 7.321
ASSI ( resid 96 and name HZ3 )
     ( resid 96 and name HH2 )
     6.0 0.1 0.1 peak 3623 volume 0.000e+00 ppm1 6.796 ppm2 7.039
ASSI ( resid 24 and name HA )
     ( resid 110 and name HN )
     6.0 0.1 0.1 peak 3624 volume 2.932e+03 ppm1 5.033 ppm2 8.640
ASSI ( attr store1 < 2.215 and attr store1 > 2.175 )
     ( attr store1 < 9.319 and attr store1 > 9.279 )
     6.0 0.1 0.1 peak 3625 volume 0.000e+00 ppm1 2.195 ppm2 9.299
ASSI ( attr store1 < 2.215 and attr store1 > 2.175 )
     ( attr store1 < 0.493 and attr store1 > 0.453 )
     6.0 0.1 0.1 peak 3628 volume 0.000e+00 ppm1 2.195 ppm2 0.473
ASSI ( attr store1 < 4.9 and attr store1 > 4.86 )
     ( attr store1 < 4.042 and attr store1 > 4.002 )
     6.0 0.1 0.1 peak 3629 volume 0.000e+00 ppm1 4.880 ppm2 4.022
ASSI ( attr store1 < 6.598 and attr store1 > 6.558 )
     ( attr store1 < 9.319 and attr store1 > 9.279 )
     6.0 0.1 0.1 peak 3630 volume 0.000e+00 ppm1 6.578 ppm2 9.299
ASSI ( resid 84 and name HG )
     ( resid 85 and name HN )
     6.0 0.1 0.1 peak 3631 volume 0.000e+00 ppm1 1.626 ppm2 8.196
ASSI ( resid 89 and name hd# )
     ( resid 89 and name HN )
     6.0 0.1 0.1 peak 3632 volume 0.000e+00 ppm1 6.963 ppm2 8.525
ASSI ( resid 19 and name HA )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 3633 volume 0.000e+00 ppm1 4.654 ppm2 3.564
ASSI ( resid 124 and name HA )
     ( resid 124 and name hb# )
     6.0 0.1 0.1 peak 3634 volume 0.000e+00 ppm1 4.503 ppm2 3.022
ASSI ( resid 117 and name HD2 )
     ( resid 117 and name HN )
     6.0 0.1 0.1 peak 3635 volume 0.000e+00 ppm1 7.034 ppm2 9.138
ASSI ( resid 117 and name HD2 )
     ( resid 117 and name HE1 )
     6.0 0.1 0.1 peak 3636 volume 0.000e+00 ppm1 7.032 ppm2 8.003
ASSI ( resid 117 and name HB2 )
     ( resid 117 and name HD2 )
     6.0 0.1 0.1 peak 3637 volume 0.000e+00 ppm1 3.302 ppm2 7.035
ASSI ( resid 31 and name hg1# )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 3639 volume 2.936e+03 ppm1 0.901 ppm2 0.122
ASSI ( resid 72 and name HB2 )
     ( resid 64 and name hd2# )
     6.0 0.1 0.1 peak 3640 volume 8.170e+02 ppm1 2.901 ppm2 0.553
ASSI ( attr store1 < 4.275 and attr store1 > 4.235 )
     ( attr store1 < 7.023 and attr store1 > 6.983 )
     6.0 0.1 0.1 peak 3641 volume 0.000e+00 ppm1 4.255 ppm2 7.003
ASSI ( resid 129 and name HB3 )
     ( resid 129 and name HN )
     6.0 0.1 0.1 peak 3642 volume 0.000e+00 ppm1 2.843 ppm2 8.991
ASSI ( resid 129 and name HB2 )
     ( resid 129 and name HN )
     6.0 0.1 0.1 peak 3643 volume 0.000e+00 ppm1 2.918 ppm2 8.991
ASSI ( resid 129 and name HA )
     ( resid 129 and name HN )
     6.0 0.1 0.1 peak 3644 volume 0.000e+00 ppm1 4.489 ppm2 8.991
ASSI ( resid 128 and name HN )
     ( resid 129 and name HN )
     6.0 0.1 0.1 peak 3645 volume 0.000e+00 ppm1 7.371 ppm2 8.991
ASSI ( resid 129 and name HA )
     ( resid 129 and name HB2 )
     6.0 0.1 0.1 peak 3646 volume 0.000e+00 ppm1 4.489 ppm2 2.916
ASSI ( resid 129 and name HA )
     ( resid 129 and name HB3 )
     6.0 0.1 0.1 peak 3647 volume 0.000e+00 ppm1 4.489 ppm2 2.841
ASSI ( resid 128 and name HA )
     ( resid 128 and name HN )
     6.0 0.1 0.1 peak 3648 volume 0.000e+00 ppm1 4.478 ppm2 7.368
ASSI ( resid 128 and name hb# )
     ( resid 128 and name HN )
     6.0 0.1 0.1 peak 3649 volume 0.000e+00 ppm1 1.732 ppm2 7.368
ASSI ( resid 128 and name hd# )
     ( resid 128 and name HN )
     6.0 0.1 0.1 peak 3650 volume 0.000e+00 ppm1 1.357 ppm2 7.368
ASSI ( resid 128 and name hg# )
     ( resid 128 and name HN )
     6.0 0.1 0.1 peak 3651 volume 0.000e+00 ppm1 1.249 ppm2 7.368
ASSI ( resid 128 and name hb# )
     ( resid 129 and name HN )
     6.0 0.1 0.1 peak 3652 volume 0.000e+00 ppm1 1.734 ppm2 8.991
ASSI ( resid 128 and name hd# )
     ( resid 129 and name HN )
     6.0 0.1 0.1 peak 3653 volume 0.000e+00 ppm1 1.357 ppm2 8.991
ASSI ( resid 128 and name hg# )
     ( resid 129 and name HN )
     6.0 0.1 0.1 peak 3654 volume 0.000e+00 ppm1 1.249 ppm2 8.991
ASSI ( resid 128 and name HN )
     ( resid 127 and name HN )
     6.0 0.1 0.1 peak 3655 volume 0.000e+00 ppm1 7.371 ppm2 8.725
ASSI ( resid 127 and name HB )
     ( resid 127 and name HN )
     6.0 0.1 0.1 peak 3656 volume 0.000e+00 ppm1 4.170 ppm2 8.723
ASSI ( resid 127 and name HB )
     ( resid 128 and name HN )
     6.0 0.1 0.1 peak 3657 volume 0.000e+00 ppm1 4.170 ppm2 7.368
ASSI ( resid 127 and name HB )
     ( resid 127 and name hg2# )
     6.0 0.1 0.1 peak 3658 volume 0.000e+00 ppm1 4.170 ppm2 1.249



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG  14          1H        ARG  14  -9.320 -13.467  -5.583
    2    HA   ARG  14           HA       ARG  14  -9.297 -16.347  -4.949
    3   1HB   ARG  14          1HB       ARG  14  -8.550 -14.912  -7.292
    4   2HB   ARG  14          2HB       ARG  14  -7.082 -15.574  -6.588
    5   1HG   ARG  14          1HG       ARG  14  -7.804 -17.209  -8.076
    6   2HG   ARG  14          2HG       ARG  14  -8.331 -17.794  -6.498
    7   1HD   ARG  14          1HD       ARG  14  -9.925 -17.731  -8.653
    8   2HD   ARG  14          2HD       ARG  14 -10.525 -17.579  -7.004
    9    HE   ARG  14           HE       ARG  14  -9.851 -15.100  -8.386
   10   1HH1  ARG  14          1HH1      ARG  14 -12.332 -17.369  -7.414
   11   2HH1  ARG  14          2HH1      ARG  14 -13.635 -16.233  -7.607
   12   1HH2  ARG  14          1HH2      ARG  14 -11.549 -13.583  -8.612
   13   2HH2  ARG  14          2HH2      ARG  14 -13.187 -14.060  -8.254
   14    H    ILE  15           H        ILE  15  -8.906 -14.304  -3.031
   15    HA   ILE  15           HA       ILE  15  -6.183 -14.913  -2.173
   16    HB   ILE  15           HB       ILE  15  -5.992 -12.738  -3.241
   17   1HG1  ILE  15          1HG1      ILE  15  -5.658 -11.405  -0.875
   18   2HG1  ILE  15          2HG1      ILE  15  -5.616 -13.085  -0.350
   19   1HG2  ILE  15          1HG2      ILE  15  -7.653 -11.280  -3.266
   20   2HG2  ILE  15          2HG2      ILE  15  -8.569 -12.292  -2.149
   21   3HG2  ILE  15          3HG2      ILE  15  -7.485 -11.048  -1.526
   22   1HD1  ILE  15          1HD1      ILE  15  -3.778 -13.561  -1.781
   23   2HD1  ILE  15          2HD1      ILE  15  -3.913 -11.990  -2.569
   24   3HD1  ILE  15          3HD1      ILE  15  -3.398 -12.088  -0.886
   25    HA   PRO  16           HA       PRO  16  -8.203 -16.201   1.517
   26   1HB   PRO  16          1HB       PRO  16  -5.792 -14.996   2.803
   27   2HB   PRO  16          2HB       PRO  16  -6.522 -16.587   3.049
   28   1HG   PRO  16          1HG       PRO  16  -4.333 -16.329   1.573
   29   2HG   PRO  16          2HG       PRO  16  -5.622 -17.444   1.087
   30   1HD   PRO  16          1HD       PRO  16  -4.891 -14.792  -0.044
   31   2HD   PRO  16          2HD       PRO  16  -5.561 -16.223  -0.852
   32    H    ASN  17           H        ASN  17  -6.419 -13.747   3.196
   33    HA   ASN  17           HA       ASN  17  -8.983 -12.462   3.850
   34   1HB   ASN  17          1HB       ASN  17  -7.428 -13.603   5.628
   35   2HB   ASN  17          2HB       ASN  17  -6.507 -12.107   5.504
   36   1HD2  ASN  17          1HD2      ASN  17  -6.946 -11.052   7.321
   37   2HD2  ASN  17          2HD2      ASN  17  -8.531 -10.685   7.914
   38    H    ILE  18           H        ILE  18  -5.537 -11.604   3.625
   39    HA   ILE  18           HA       ILE  18  -6.350  -8.941   2.663
   40    HB   ILE  18           HB       ILE  18  -3.801  -8.494   3.268
   41   1HG1  ILE  18          1HG1      ILE  18  -3.987 -11.078   4.162
   42   2HG1  ILE  18          2HG1      ILE  18  -2.794  -9.910   4.708
   43   1HG2  ILE  18          1HG2      ILE  18  -6.319  -8.200   4.708
   44   2HG2  ILE  18          2HG2      ILE  18  -4.892  -8.120   5.741
   45   3HG2  ILE  18          3HG2      ILE  18  -5.052  -7.020   4.373
   46   1HD1  ILE  18          1HD1      ILE  18  -5.432 -10.397   6.067
   47   2HD1  ILE  18          2HD1      ILE  18  -3.911 -11.154   6.534
   48   3HD1  ILE  18          3HD1      ILE  18  -4.097  -9.405   6.654
   49    H    ALA  19           H        ALA  19  -5.341  -8.069   0.857
   50    HA   ALA  19           HA       ALA  19  -4.323  -9.965  -1.046
   51   1HB   ALA  19          1HB       ALA  19  -4.157  -7.042  -1.554
   52   2HB   ALA  19          2HB       ALA  19  -4.660  -8.350  -2.626
   53   3HB   ALA  19          3HB       ALA  19  -5.759  -7.760  -1.379
   54    H    THR  20           H        THR  20  -2.366 -10.728  -0.493
   55    HA   THR  20           HA       THR  20  -0.287  -9.097   0.580
   56    HB   THR  20           HB       THR  20   0.114 -11.826  -0.616
   57    HG1  THR  20           HG1      THR  20  -0.929 -11.258   1.989
   58   1HG2  THR  20          1HG2      THR  20   1.258 -10.976   1.980
   59   2HG2  THR  20          2HG2      THR  20   1.887 -10.191   0.531
   60   3HG2  THR  20          3HG2      THR  20   1.970 -11.946   0.690
   61    H    TYR  21           H        TYR  21   0.332  -7.498  -0.831
   62    HA   TYR  21           HA       TYR  21   1.147  -8.129  -3.531
   63   1HB   TYR  21          1HB       TYR  21   1.671  -5.616  -1.922
   64   2HB   TYR  21          2HB       TYR  21   1.858  -5.800  -3.662
   65    HD1  TYR  21           HD1      TYR  21  -0.553  -7.097  -4.533
   66    HD2  TYR  21           HD2      TYR  21  -0.059  -4.149  -1.506
   67    HE1  TYR  21           HE1      TYR  21  -2.879  -6.374  -4.865
   68    HE2  TYR  21           HE2      TYR  21  -2.383  -3.419  -1.828
   69    HH   TYR  21           HH       TYR  21  -4.126  -3.871  -4.324
   70    H    THR  22           H        THR  22   2.708  -9.735  -3.238
   71    HA   THR  22           HA       THR  22   5.106  -8.984  -1.723
   72    HB   THR  22           HB       THR  22   4.767 -11.716  -2.849
   73    HG1  THR  22           HG1      THR  22   2.826 -10.670  -1.506
   74   1HG2  THR  22          1HG2      THR  22   6.001 -10.487  -0.402
   75   2HG2  THR  22          2HG2      THR  22   6.776 -11.427  -1.676
   76   3HG2  THR  22          3HG2      THR  22   5.715 -12.224  -0.516
   77    H    GLY  23           H        GLY  23   6.869  -8.395  -2.766
   78   1HA   GLY  23          1HA       GLY  23   7.629  -9.624  -5.269
   79   2HA   GLY  23          2HA       GLY  23   7.211  -7.920  -5.407
   80    H    THR  24           H        THR  24   9.623  -8.154  -6.136
   81    HA   THR  24           HA       THR  24  11.310  -7.714  -3.773
   82    HB   THR  24           HB       THR  24  13.015  -7.966  -5.954
   83    HG1  THR  24           HG1      THR  24  11.320  -8.845  -7.220
   84   1HG2  THR  24          1HG2      THR  24  13.420  -8.835  -3.719
   85   2HG2  THR  24          2HG2      THR  24  13.620 -10.113  -4.921
   86   3HG2  THR  24          3HG2      THR  24  12.154 -10.044  -3.943
   87    H    ILE  25           H        ILE  25  11.755  -5.661  -3.381
   88    HA   ILE  25           HA       ILE  25  11.414  -3.675  -5.454
   89    HB   ILE  25           HB       ILE  25  10.617  -3.152  -3.208
   90   1HG1  ILE  25          1HG1      ILE  25  12.224  -1.027  -2.913
   91   2HG1  ILE  25          2HG1      ILE  25  12.725  -1.534  -4.522
   92   1HG2  ILE  25          1HG2      ILE  25  12.625  -4.472  -2.161
   93   2HG2  ILE  25          2HG2      ILE  25  13.379  -2.876  -2.143
   94   3HG2  ILE  25          3HG2      ILE  25  11.855  -3.143  -1.294
   95   1HD1  ILE  25          1HD1      ILE  25  10.225  -0.301  -3.624
   96   2HD1  ILE  25          2HD1      ILE  25  11.043  -0.225  -5.185
   97   3HD1  ILE  25          3HD1      ILE  25  10.040  -1.617  -4.785
   98    H    GLN  26           H        GLN  26  12.981  -2.741  -6.604
   99    HA   GLN  26           HA       GLN  26  15.538  -4.055  -6.563
  100   1HB   GLN  26          1HB       GLN  26  13.996  -2.511  -8.449
  101   2HB   GLN  26          2HB       GLN  26  15.653  -1.922  -8.385
  102   1HG   GLN  26          1HG       GLN  26  16.300  -4.406  -8.603
  103   2HG   GLN  26          2HG       GLN  26  14.641  -4.628  -9.152
  104   1HE2  GLN  26          1HE2      GLN  26  17.722  -4.087 -10.135
  105   2HE2  GLN  26          2HE2      GLN  26  17.411  -3.399 -11.699
  106    H    GLY  27           H        GLY  27  16.444  -3.419  -4.614
  107   1HA   GLY  27          1HA       GLY  27  17.861  -2.170  -3.317
  108   2HA   GLY  27          2HA       GLY  27  18.106  -1.140  -4.721
  109    H    LYS  28           H        LYS  28  17.791   0.876  -4.118
  110    HA   LYS  28           HA       LYS  28  15.895   1.570  -2.049
  111   1HB   LYS  28          1HB       LYS  28  16.956   3.906  -3.265
  112   2HB   LYS  28          2HB       LYS  28  17.342   3.238  -1.685
  113   1HG   LYS  28          1HG       LYS  28  18.692   2.070  -4.058
  114   2HG   LYS  28          2HG       LYS  28  19.192   3.675  -3.517
  115   1HD   LYS  28          1HD       LYS  28  19.855   2.874  -1.408
  116   2HD   LYS  28          2HD       LYS  28  18.971   1.360  -1.611
  117   1HE   LYS  28          1HE       LYS  28  20.734   0.386  -2.550
  118   2HE   LYS  28          2HE       LYS  28  20.896   1.692  -3.722
  119   1HZ   LYS  28          1HZ       LYS  28  21.992   1.706  -0.958
  120   2HZ   LYS  28          2HZ       LYS  28  22.151   2.957  -2.093
  121   3HZ   LYS  28          3HZ       LYS  28  22.887   1.454  -2.378
  122    H    GLY  29           H        GLY  29  14.316   0.570  -3.719
  123   1HA   GLY  29          1HA       GLY  29  13.589   2.183  -5.966
  124   2HA   GLY  29          2HA       GLY  29  12.706   0.798  -5.343
  125    H    GLU  30           H        GLU  30  11.585   3.184  -6.310
  126    HA   GLU  30           HA       GLU  30  10.081   3.993  -3.920
  127   1HB   GLU  30          1HB       GLU  30  10.625   5.934  -6.159
  128   2HB   GLU  30          2HB       GLU  30  10.039   6.273  -4.539
  129   1HG   GLU  30          1HG       GLU  30  12.504   5.160  -4.074
  130   2HG   GLU  30          2HG       GLU  30  12.758   6.089  -5.549
  131    H    VAL  31           H        VAL  31   8.058   3.276  -4.232
  132    HA   VAL  31           HA       VAL  31   6.917   3.453  -6.918
  133    HB   VAL  31           HB       VAL  31   7.800   1.245  -6.982
  134   1HG1  VAL  31          1HG1      VAL  31   6.788  -0.295  -4.970
  135   2HG1  VAL  31          2HG1      VAL  31   8.413   0.390  -5.006
  136   3HG1  VAL  31          3HG1      VAL  31   7.124   1.221  -4.135
  137   1HG2  VAL  31          1HG2      VAL  31   4.871   1.232  -6.315
  138   2HG2  VAL  31          2HG2      VAL  31   5.642   1.177  -7.902
  139   3HG2  VAL  31          3HG2      VAL  31   5.729  -0.221  -6.828
  140    H    CYS  32           H        CYS  32   4.806   3.695  -7.033
  141    HA   CYS  32           HA       CYS  32   3.342   4.133  -4.532
  142   1HB   CYS  32          1HB       CYS  32   2.001   4.940  -6.982
  143   2HB   CYS  32          2HB       CYS  32   2.443   5.910  -5.580
  144    H    ILE  33           H        ILE  33   2.217   2.370  -3.903
  145    HA   ILE  33           HA       ILE  33   1.234   0.529  -5.951
  146    HB   ILE  33           HB       ILE  33   1.336   0.168  -2.954
  147   1HG1  ILE  33          1HG1      ILE  33   3.553   0.313  -4.184
  148   2HG1  ILE  33          2HG1      ILE  33   3.278  -1.170  -3.278
  149   1HG2  ILE  33          1HG2      ILE  33   1.197  -2.317  -4.169
  150   2HG2  ILE  33          2HG2      ILE  33  -0.111  -1.487  -3.326
  151   3HG2  ILE  33          3HG2      ILE  33   0.050  -1.331  -5.076
  152   1HD1  ILE  33          1HD1      ILE  33   2.445  -2.113  -5.529
  153   2HD1  ILE  33          2HD1      ILE  33   3.299  -0.738  -6.230
  154   3HD1  ILE  33          3HD1      ILE  33   4.178  -1.923  -5.264
  155    H    ILE  34           H        ILE  34  -0.743   0.680  -6.635
  156    HA   ILE  34           HA       ILE  34  -2.917   0.966  -4.712
  157    HB   ILE  34           HB       ILE  34  -2.470   3.230  -5.738
  158   1HG1  ILE  34          1HG1      ILE  34  -5.174   2.328  -6.651
  159   2HG1  ILE  34          2HG1      ILE  34  -4.769   2.222  -4.940
  160   1HG2  ILE  34          1HG2      ILE  34  -2.100   1.932  -8.059
  161   2HG2  ILE  34          2HG2      ILE  34  -3.781   2.433  -8.259
  162   3HG2  ILE  34          3HG2      ILE  34  -2.530   3.639  -7.954
  163   1HD1  ILE  34          1HD1      ILE  34  -5.239   4.586  -6.641
  164   2HD1  ILE  34          2HD1      ILE  34  -5.673   4.289  -4.958
  165   3HD1  ILE  34          3HD1      ILE  34  -4.018   4.732  -5.377
  166    H    GLY  35           H        GLY  35  -1.582  -1.110  -6.318
  167   1HA   GLY  35          1HA       GLY  35  -3.172  -1.731  -8.594
  168   2HA   GLY  35          2HA       GLY  35  -1.962  -2.765  -7.855
  169    H    ASN  36           H        ASN  36  -4.340  -3.691  -8.919
  170    HA   ASN  36           HA       ASN  36  -6.015  -4.302  -6.599
  171   1HB   ASN  36          1HB       ASN  36  -7.744  -4.899  -8.159
  172   2HB   ASN  36          2HB       ASN  36  -7.081  -3.350  -8.661
  173   1HD2  ASN  36          1HD2      ASN  36  -7.834  -6.490  -9.583
  174   2HD2  ASN  36          2HD2      ASN  36  -7.067  -6.491 -11.139
  175    H    LYS  37           H        LYS  37  -6.206  -6.333  -5.825
  176    HA   LYS  37           HA       LYS  37  -5.427  -8.665  -7.299
  177   1HB   LYS  37          1HB       LYS  37  -3.280  -7.468  -6.294
  178   2HB   LYS  37          2HB       LYS  37  -3.801  -8.273  -4.821
  179   1HG   LYS  37          1HG       LYS  37  -2.736 -10.086  -5.513
  180   2HG   LYS  37          2HG       LYS  37  -3.910 -10.226  -6.820
  181   1HD   LYS  37          1HD       LYS  37  -2.345  -8.444  -7.967
  182   2HD   LYS  37          2HD       LYS  37  -1.150  -9.113  -6.853
  183   1HE   LYS  37          1HE       LYS  37  -0.812 -10.606  -8.503
  184   2HE   LYS  37          2HE       LYS  37  -2.245 -11.384  -7.826
  185   1HZ   LYS  37          1HZ       LYS  37  -2.771 -11.234 -10.039
  186   2HZ   LYS  37          2HZ       LYS  37  -1.987  -9.747 -10.259
  187   3HZ   LYS  37          3HZ       LYS  37  -3.479  -9.810  -9.453
  188    H    GLU  38           H        GLU  38  -7.775  -7.767  -6.005
  189    HA   GLU  38           HA       GLU  38  -7.983  -9.681  -3.775
  190   1HB   GLU  38          1HB       GLU  38  -8.258  -6.821  -3.666
  191   2HB   GLU  38          2HB       GLU  38  -9.800  -7.571  -3.282
  192   1HG   GLU  38          1HG       GLU  38  -7.369  -8.634  -1.963
  193   2HG   GLU  38          2HG       GLU  38  -7.983  -7.067  -1.445
  194    H    GLY  39           H        GLY  39 -10.705  -9.149  -3.241
  195   1HA   GLY  39          1HA       GLY  39 -12.231  -9.189  -5.672
  196   2HA   GLY  39          2HA       GLY  39 -12.074 -10.792  -4.970
  197    H    LYS  40           H        LYS  40 -11.960  -9.313  -2.253
  198    HA   LYS  40           HA       LYS  40 -14.726  -9.711  -1.676
  199   1HB   LYS  40          1HB       LYS  40 -12.275  -9.084  -0.169
  200   2HB   LYS  40          2HB       LYS  40 -13.753  -8.439   0.530
  201   1HG   LYS  40          1HG       LYS  40 -13.912 -10.431   1.524
  202   2HG   LYS  40          2HG       LYS  40 -14.487 -10.998  -0.045
  203   1HD   LYS  40          1HD       LYS  40 -12.801 -12.513   0.488
  204   2HD   LYS  40          2HD       LYS  40 -11.989 -11.363  -0.577
  205   1HE   LYS  40          1HE       LYS  40 -11.753 -10.325   2.022
  206   2HE   LYS  40          2HE       LYS  40 -11.403 -12.049   2.150
  207   1HZ   LYS  40          1HZ       LYS  40  -9.711 -11.837   0.489
  208   2HZ   LYS  40          2HZ       LYS  40  -9.434 -10.663   1.678
  209   3HZ   LYS  40          3HZ       LYS  40 -10.116 -10.215   0.196
  210    H    THR  41           H        THR  41 -16.251  -8.191  -0.934
  211    HA   THR  41           HA       THR  41 -16.045  -5.573  -2.124
  212    HB   THR  41           HB       THR  41 -18.181  -6.960  -1.990
  213    HG1  THR  41           HG1      THR  41 -18.955  -5.070  -2.482
  214   1HG2  THR  41          1HG2      THR  41 -18.362  -7.717   0.198
  215   2HG2  THR  41          2HG2      THR  41 -19.504  -6.374   0.163
  216   3HG2  THR  41          3HG2      THR  41 -17.909  -6.157   0.883
  217    H    ARG  42           H        ARG  42 -15.434  -6.998   0.930
  218    HA   ARG  42           HA       ARG  42 -15.425  -4.378   2.252
  219   1HB   ARG  42          1HB       ARG  42 -15.333  -5.773   4.372
  220   2HB   ARG  42          2HB       ARG  42 -16.833  -5.847   3.460
  221   1HG   ARG  42          1HG       ARG  42 -15.572  -7.940   2.374
  222   2HG   ARG  42          2HG       ARG  42 -14.815  -7.940   3.968
  223   1HD   ARG  42          1HD       ARG  42 -17.702  -7.554   4.057
  224   2HD   ARG  42          2HD       ARG  42 -17.227  -9.088   3.328
  225    HE   ARG  42           HE       ARG  42 -15.807  -9.318   5.448
  226   1HH1  ARG  42          1HH1      ARG  42 -18.913  -7.694   5.281
  227   2HH1  ARG  42          2HH1      ARG  42 -19.314  -8.027   6.938
  228   1HH2  ARG  42          1HH2      ARG  42 -16.333  -9.742   7.644
  229   2HH2  ARG  42          2HH2      ARG  42 -17.852  -9.176   8.286
  230    H    GLY  43           H        GLY  43 -13.635  -3.769   3.513
  231   1HA   GLY  43          1HA       GLY  43 -11.260  -5.426   3.513
  232   2HA   GLY  43          2HA       GLY  43 -11.148  -3.979   2.519
  233    H    GLY  44           H        GLY  44  -9.607  -2.959   3.744
  234   1HA   GLY  44          1HA       GLY  44 -10.500  -2.144   6.440
  235   2HA   GLY  44          2HA       GLY  44  -8.815  -2.472   6.052
  236    H    GLU  45           H        GLU  45 -11.020  -0.097   6.505
  237    HA   GLU  45           HA       GLU  45 -10.480   1.842   4.582
  238   1HB   GLU  45          1HB       GLU  45 -11.142   2.092   7.518
  239   2HB   GLU  45          2HB       GLU  45 -11.081   3.465   6.419
  240   1HG   GLU  45          1HG       GLU  45 -13.284   3.049   6.253
  241   2HG   GLU  45          2HG       GLU  45 -12.735   1.902   5.033
  242    H    LEU  46           H        LEU  46  -8.411   2.145   3.975
  243    HA   LEU  46           HA       LEU  46  -6.248   2.813   3.991
  244   1HB   LEU  46          1HB       LEU  46  -7.615   4.522   5.814
  245   2HB   LEU  46          2HB       LEU  46  -6.042   4.164   6.496
  246    HG   LEU  46           HG       LEU  46  -4.906   5.117   4.642
  247   1HD1  LEU  46          1HD1      LEU  46  -6.004   4.382   2.735
  248   2HD1  LEU  46          2HD1      LEU  46  -7.571   4.968   3.290
  249   3HD1  LEU  46          3HD1      LEU  46  -6.344   6.111   2.747
  250   1HD2  LEU  46          1HD2      LEU  46  -6.695   7.279   4.486
  251   2HD2  LEU  46          2HD2      LEU  46  -6.877   6.594   6.102
  252   3HD2  LEU  46          3HD2      LEU  46  -5.289   7.109   5.536
  253    H    TYR  47           H        TYR  47  -6.583   0.272   4.779
  254    HA   TYR  47           HA       TYR  47  -4.693  -0.041   7.015
  255   1HB   TYR  47          1HB       TYR  47  -7.038  -0.764   7.546
  256   2HB   TYR  47          2HB       TYR  47  -6.899  -1.971   6.274
  257    HD1  TYR  47           HD1      TYR  47  -5.416  -3.912   6.557
  258    HD2  TYR  47           HD2      TYR  47  -5.932  -1.052   9.664
  259    HE1  TYR  47           HE1      TYR  47  -4.434  -5.492   8.169
  260    HE2  TYR  47           HE2      TYR  47  -4.942  -2.619  11.281
  261    HH   TYR  47           HH       TYR  47  -4.725  -5.740  10.901
  262    H    ALA  48           H        ALA  48  -2.812  -0.641   6.218
  263    HA   ALA  48           HA       ALA  48  -2.655  -3.102   4.697
  264   1HB   ALA  48          1HB       ALA  48  -0.846  -1.723   3.248
  265   2HB   ALA  48          2HB       ALA  48  -2.508  -2.006   2.733
  266   3HB   ALA  48          3HB       ALA  48  -2.070  -0.477   3.497
  267    H    VAL  49           H        VAL  49  -0.846  -4.249   5.227
  268    HA   VAL  49           HA       VAL  49   1.062  -2.870   6.999
  269    HB   VAL  49           HB       VAL  49   0.069  -4.544   8.310
  270   1HG1  VAL  49          1HG1      VAL  49   0.523  -6.627   6.194
  271   2HG1  VAL  49          2HG1      VAL  49  -0.439  -6.756   7.667
  272   3HG1  VAL  49          3HG1      VAL  49  -0.983  -5.722   6.346
  273   1HG2  VAL  49          1HG2      VAL  49   2.358  -6.212   7.427
  274   2HG2  VAL  49          2HG2      VAL  49   2.704  -4.570   7.971
  275   3HG2  VAL  49          3HG2      VAL  49   1.886  -5.704   9.048
  276    H    LEU  50           H        LEU  50   2.991  -2.514   6.218
  277    HA   LEU  50           HA       LEU  50   3.907  -3.898   3.849
  278   1HB   LEU  50          1HB       LEU  50   4.336  -1.493   4.095
  279   2HB   LEU  50          2HB       LEU  50   5.267  -1.802   5.550
  280    HG   LEU  50           HG       LEU  50   6.570  -3.385   3.776
  281   1HD1  LEU  50          1HD1      LEU  50   5.051  -1.443   2.235
  282   2HD1  LEU  50          2HD1      LEU  50   6.785  -1.367   1.927
  283   3HD1  LEU  50          3HD1      LEU  50   5.915  -2.886   1.705
  284   1HD2  LEU  50          1HD2      LEU  50   7.259  -0.478   3.993
  285   2HD2  LEU  50          2HD2      LEU  50   7.367  -1.547   5.391
  286   3HD2  LEU  50          3HD2      LEU  50   8.335  -1.875   3.951
  287    H    HIS  51           H        HIS  51   4.672  -5.874   4.103
  288    HA   HIS  51           HA       HIS  51   6.141  -6.582   6.526
  289   1HB   HIS  51          1HB       HIS  51   4.782  -8.102   4.352
  290   2HB   HIS  51          2HB       HIS  51   6.101  -8.887   5.217
  291    HD1  HIS  51           HD1      HIS  51   5.610  -8.109   8.067
  292    HD2  HIS  51           HD2      HIS  51   2.543  -9.100   5.443
  293    HE1  HIS  51           HE1      HIS  51   3.673  -8.813   9.517
  294    HE2  HIS  51           HE2      HIS  51   1.926  -9.644   7.891
  295    H    SER  52           H        SER  52   8.215  -7.288   6.537
  296    HA   SER  52           HA       SER  52   9.713  -7.603   4.082
  297   1HB   SER  52          1HB       SER  52  11.120  -5.733   5.851
  298   2HB   SER  52          2HB       SER  52  10.933  -5.697   4.102
  299    HG   SER  52           HG       SER  52   8.774  -4.893   4.493
  300    H    THR  53           H        THR  53  11.190  -9.175   4.370
  301    HA   THR  53           HA       THR  53  11.994  -9.809   7.131
  302    HB   THR  53           HB       THR  53  11.363 -11.891   5.039
  303    HG1  THR  53           HG1      THR  53   9.334 -11.960   5.784
  304   1HG2  THR  53          1HG2      THR  53  11.073 -12.752   7.749
  305   2HG2  THR  53          2HG2      THR  53  12.654 -11.993   7.551
  306   3HG2  THR  53          3HG2      THR  53  12.187 -13.340   6.512
  307    H    ASN  54           H        ASN  54  14.075  -9.037   6.999
  308    HA   ASN  54           HA       ASN  54  15.977 -10.843   5.904
  309   1HB   ASN  54          1HB       ASN  54  17.201  -8.999   4.568
  310   2HB   ASN  54          2HB       ASN  54  15.822  -9.788   3.814
  311   1HD2  ASN  54          1HD2      ASN  54  15.144  -8.215   2.490
  312   2HD2  ASN  54          2HD2      ASN  54  14.611  -6.654   3.020
  313    H    VAL  55           H        VAL  55  18.124  -8.765   5.866
  314    HA   VAL  55           HA       VAL  55  18.661  -8.687   8.669
  315    HB   VAL  55           HB       VAL  55  20.352  -6.819   7.385
  316   1HG1  VAL  55          1HG1      VAL  55  20.957  -9.702   7.996
  317   2HG1  VAL  55          2HG1      VAL  55  22.077  -8.338   7.977
  318   3HG1  VAL  55          3HG1      VAL  55  20.836  -8.444   9.228
  319   1HG2  VAL  55          1HG2      VAL  55  21.249  -8.024   5.503
  320   2HG2  VAL  55          2HG2      VAL  55  20.115  -9.351   5.760
  321   3HG2  VAL  55          3HG2      VAL  55  19.522  -7.770   5.248
  322    H    ASN  56           H        ASN  56  19.147  -5.800   6.747
  323    HA   ASN  56           HA       ASN  56  17.157  -4.408   8.395
  324   1HB   ASN  56          1HB       ASN  56  18.298  -2.293   7.819
  325   2HB   ASN  56          2HB       ASN  56  19.393  -3.407   8.634
  326   1HD2  ASN  56          1HD2      ASN  56  19.201  -1.217   6.243
  327   2HD2  ASN  56          2HD2      ASN  56  20.441  -1.804   5.186
  328    H    ALA  57           H        ALA  57  15.293  -4.414   7.351
  329    HA   ALA  57           HA       ALA  57  15.043  -4.668   4.547
  330   1HB   ALA  57          1HB       ALA  57  13.245  -5.369   5.977
  331   2HB   ALA  57          2HB       ALA  57  13.075  -3.741   6.632
  332   3HB   ALA  57          3HB       ALA  57  12.663  -4.059   4.947
  333    H    ASP  58           H        ASP  58  14.810  -1.952   6.777
  334    HA   ASP  58           HA       ASP  58  14.942   0.304   6.503
  335   1HB   ASP  58          1HB       ASP  58  16.974  -0.877   4.882
  336   2HB   ASP  58          2HB       ASP  58  16.322   0.509   4.016
  337    H    MET  59           H        MET  59  12.613  -0.841   5.586
  338    HA   MET  59           HA       MET  59  12.067   0.515   3.042
  339   1HB   MET  59          1HB       MET  59  11.586  -2.087   3.733
  340   2HB   MET  59          2HB       MET  59  10.037  -1.334   4.091
  341   1HG   MET  59          1HG       MET  59   9.783  -0.590   1.853
  342   2HG   MET  59          2HG       MET  59  11.447  -1.018   1.457
  343   1HE   MET  59          1HE       MET  59  11.943  -3.680   2.732
  344   2HE   MET  59          2HE       MET  59  11.323  -4.933   1.654
  345   3HE   MET  59          3HE       MET  59  12.266  -3.592   0.999
  346    H    THR  60           H        THR  60  10.795   2.203   3.014
  347    HA   THR  60           HA       THR  60   9.460   2.968   5.513
  348    HB   THR  60           HB       THR  60   9.712   4.876   3.245
  349    HG1  THR  60           HG1      THR  60  11.809   3.515   3.891
  350   1HG2  THR  60          1HG2      THR  60   8.766   5.877   5.092
  351   2HG2  THR  60          2HG2      THR  60  10.470   6.275   5.325
  352   3HG2  THR  60          3HG2      THR  60   9.740   4.948   6.228
  353    H    LEU  61           H        LEU  61   7.376   2.308   5.530
  354    HA   LEU  61           HA       LEU  61   5.836   2.378   3.043
  355   1HB   LEU  61          1HB       LEU  61   5.445   0.419   4.355
  356   2HB   LEU  61          2HB       LEU  61   5.205   1.363   5.813
  357    HG   LEU  61           HG       LEU  61   3.173   2.374   4.576
  358   1HD1  LEU  61          1HD1      LEU  61   2.149   0.821   2.948
  359   2HD1  LEU  61          2HD1      LEU  61   3.639   1.554   2.359
  360   3HD1  LEU  61          3HD1      LEU  61   3.646  -0.111   2.936
  361   1HD2  LEU  61          1HD2      LEU  61   2.948   0.941   6.501
  362   2HD2  LEU  61          2HD2      LEU  61   1.750   0.494   5.287
  363   3HD2  LEU  61          3HD2      LEU  61   3.197  -0.492   5.501
  364    H    ILE  62           H        ILE  62   5.170   4.370   2.526
  365    HA   ILE  62           HA       ILE  62   4.186   6.021   4.744
  366    HB   ILE  62           HB       ILE  62   6.375   6.783   3.928
  367   1HG1  ILE  62          1HG1      ILE  62   4.461   8.905   3.073
  368   2HG1  ILE  62          2HG1      ILE  62   4.359   8.293   4.721
  369   1HG2  ILE  62          1HG2      ILE  62   6.908   6.962   1.797
  370   2HG2  ILE  62          2HG2      ILE  62   5.337   6.267   1.400
  371   3HG2  ILE  62          3HG2      ILE  62   5.532   8.018   1.479
  372   1HD1  ILE  62          1HD1      ILE  62   6.848   9.421   3.466
  373   2HD1  ILE  62          2HD1      ILE  62   5.748  10.312   4.519
  374   3HD1  ILE  62          3HD1      ILE  62   6.637   8.924   5.145
  375    H    LEU  63           H        LEU  63   2.241   6.743   4.609
  376    HA   LEU  63           HA       LEU  63   0.559   6.143   2.351
  377   1HB   LEU  63          1HB       LEU  63   0.197   6.413   5.065
  378   2HB   LEU  63          2HB       LEU  63  -0.505   7.894   4.442
  379    HG   LEU  63           HG       LEU  63  -1.291   5.098   3.700
  380   1HD1  LEU  63          1HD1      LEU  63  -3.086   7.065   5.025
  381   2HD1  LEU  63          2HD1      LEU  63  -3.118   5.303   5.071
  382   3HD1  LEU  63          3HD1      LEU  63  -1.901   6.187   5.994
  383   1HD2  LEU  63          1HD2      LEU  63  -1.940   7.724   2.526
  384   2HD2  LEU  63          2HD2      LEU  63  -1.889   6.128   1.780
  385   3HD2  LEU  63          3HD2      LEU  63  -3.284   6.603   2.747
  386    H    LEU  64           H        LEU  64   0.325   7.430   0.668
  387    HA   LEU  64           HA       LEU  64   0.897  10.297   1.007
  388   1HB   LEU  64          1HB       LEU  64   1.886   8.321  -0.970
  389   2HB   LEU  64          2HB       LEU  64   1.495   9.912  -1.586
  390    HG   LEU  64           HG       LEU  64   3.195  10.951  -0.331
  391   1HD1  LEU  64          1HD1      LEU  64   3.209  10.286   1.814
  392   2HD1  LEU  64          2HD1      LEU  64   2.903   8.597   1.404
  393   3HD1  LEU  64          3HD1      LEU  64   4.530   9.261   1.248
  394   1HD2  LEU  64          1HD2      LEU  64   5.079   8.964  -0.564
  395   2HD2  LEU  64          2HD2      LEU  64   3.870   8.526  -1.769
  396   3HD2  LEU  64          3HD2      LEU  64   4.624  10.120  -1.815
  397    H    ARG  65           H        ARG  65  -0.296  11.762  -0.320
  398    HA   ARG  65           HA       ARG  65  -2.090  10.654  -2.278
  399   1HB   ARG  65          1HB       ARG  65  -4.075  11.927  -1.425
  400   2HB   ARG  65          2HB       ARG  65  -3.613  10.537  -0.458
  401   1HG   ARG  65          1HG       ARG  65  -2.347  12.233   0.994
  402   2HG   ARG  65          2HG       ARG  65  -3.328  13.446   0.168
  403   1HD   ARG  65          1HD       ARG  65  -5.325  12.577   1.031
  404   2HD   ARG  65          2HD       ARG  65  -4.571  11.044   1.473
  405    HE   ARG  65           HE       ARG  65  -3.321  13.121   2.901
  406   1HH1  ARG  65          1HH1      ARG  65  -6.408  11.464   2.776
  407   2HH1  ARG  65          2HH1      ARG  65  -6.764  11.737   4.449
  408   1HH2  ARG  65          1HH2      ARG  65  -3.774  13.472   5.088
  409   2HH2  ARG  65          2HH2      ARG  65  -5.257  12.875   5.785
  410    H    ASN  66           H        ASN  66  -1.458  11.686  -3.943
  411    HA   ASN  66           HA       ASN  66  -1.563  14.617  -3.975
  412   1HB   ASN  66          1HB       ASN  66   0.645  14.732  -4.430
  413   2HB   ASN  66          2HB       ASN  66   0.774  12.979  -4.434
  414   1HD2  ASN  66          1HD2      ASN  66   0.430  11.863  -6.443
  415   2HD2  ASN  66          2HD2      ASN  66   0.693  12.674  -7.947
  416    H    VAL  67           H        VAL  67  -2.320  15.447  -6.044
  417    HA   VAL  67           HA       VAL  67  -2.943  13.544  -8.082
  418    HB   VAL  67           HB       VAL  67  -4.727  12.998  -6.562
  419   1HG1  VAL  67          1HG1      VAL  67  -5.034  15.909  -6.354
  420   2HG1  VAL  67          2HG1      VAL  67  -6.544  15.007  -6.463
  421   3HG1  VAL  67          3HG1      VAL  67  -5.386  14.636  -5.185
  422   1HG2  VAL  67          1HG2      VAL  67  -6.112  14.550  -8.710
  423   2HG2  VAL  67          2HG2      VAL  67  -5.041  13.214  -9.132
  424   3HG2  VAL  67          3HG2      VAL  67  -6.445  12.929  -8.102
  425    H    GLY  68           H        GLY  68  -1.992  14.742  -9.564
  426   1HA   GLY  68          1HA       GLY  68  -2.846  16.430 -11.266
  427   2HA   GLY  68          2HA       GLY  68  -2.882  17.534  -9.898
  428    H    GLY  69           H        GLY  69  -0.533  16.792  -8.607
  429   1HA   GLY  69          1HA       GLY  69   1.371  18.142 -10.330
  430   2HA   GLY  69          2HA       GLY  69   1.586  17.766  -8.628
  431    H    ASN  70           H        ASN  70   0.622  14.935  -9.579
  432    HA   ASN  70           HA       ASN  70   1.605  12.930  -9.955
  433   1HB   ASN  70          1HB       ASN  70   2.144  14.465 -12.185
  434   2HB   ASN  70          2HB       ASN  70   3.731  13.847 -11.737
  435   1HD2  ASN  70          1HD2      ASN  70   1.513  13.274 -13.847
  436   2HD2  ASN  70          2HD2      ASN  70   1.483  11.543 -13.889
  437    H    GLY  71           H        GLY  71   2.535  14.445  -7.765
  438   1HA   GLY  71          1HA       GLY  71   5.119  13.104  -7.409
  439   2HA   GLY  71          2HA       GLY  71   5.013  14.820  -7.049
  440    H    TRP  72           H        TRP  72   4.337  11.646  -5.972
  441    HA   TRP  72           HA       TRP  72   2.394  12.229  -3.996
  442   1HB   TRP  72          1HB       TRP  72   4.380   9.952  -4.039
  443   2HB   TRP  72          2HB       TRP  72   2.868  10.009  -3.147
  444    HD1  TRP  72           HD1      TRP  72   4.319   8.855  -6.357
  445    HE1  TRP  72           HE1      TRP  72   2.454   8.007  -7.912
  446    HE3  TRP  72           HE3      TRP  72   0.251  10.656  -3.824
  447    HZ2  TRP  72           HZ2      TRP  72  -0.361   8.070  -8.046
  448    HZ3  TRP  72           HZ3      TRP  72  -1.992  10.196  -4.727
  449    HH2  TRP  72           HH2      TRP  72  -2.291   8.936  -6.796
  450    H    GLY  73           H        GLY  73   2.650  13.172  -2.013
  451   1HA   GLY  73          1HA       GLY  73   5.047  12.666  -0.513
  452   2HA   GLY  73          2HA       GLY  73   4.905  14.332  -1.040
  453    H    GLU  74           H        GLU  74   2.957  11.827   0.581
  454    HA   GLU  74           HA       GLU  74   1.905  13.896   2.364
  455   1HB   GLU  74          1HB       GLU  74   0.744  11.501   1.235
  456   2HB   GLU  74          2HB       GLU  74   0.581  11.534   2.988
  457   1HG   GLU  74          1HG       GLU  74  -0.119  13.934   1.359
  458   2HG   GLU  74          2HG       GLU  74  -1.251  12.594   1.512
  459    H    ILE  75           H        ILE  75   1.476  13.032   4.674
  460    HA   ILE  75           HA       ILE  75   4.225  12.532   5.532
  461    HB   ILE  75           HB       ILE  75   2.902  14.643   6.071
  462   1HG1  ILE  75          1HG1      ILE  75   3.739  14.302   8.645
  463   2HG1  ILE  75          2HG1      ILE  75   4.645  13.039   7.815
  464   1HG2  ILE  75          1HG2      ILE  75   1.836  13.511   8.520
  465   2HG2  ILE  75          2HG2      ILE  75   1.087  14.601   7.352
  466   3HG2  ILE  75          3HG2      ILE  75   1.062  12.860   7.074
  467   1HD1  ILE  75          1HD1      ILE  75   4.604  15.893   6.893
  468   2HD1  ILE  75          2HD1      ILE  75   5.790  15.259   8.034
  469   3HD1  ILE  75          3HD1      ILE  75   5.701  14.602   6.401
  470    H    LYS  76           H        LYS  76   1.775  10.318   5.224
  471    HA   LYS  76           HA       LYS  76   1.842   9.544   8.048
  472   1HB   LYS  76          1HB       LYS  76  -0.273   9.512   6.605
  473   2HB   LYS  76          2HB       LYS  76   0.381   8.039   5.905
  474   1HG   LYS  76          1HG       LYS  76  -1.280   7.831   7.845
  475   2HG   LYS  76          2HG       LYS  76   0.187   6.850   7.897
  476   1HD   LYS  76          1HD       LYS  76   0.917   9.214   9.139
  477   2HD   LYS  76          2HD       LYS  76  -0.728   8.933   9.706
  478   1HE   LYS  76          1HE       LYS  76  -0.073   6.651  10.369
  479   2HE   LYS  76          2HE       LYS  76   1.579   6.998   9.862
  480   1HZ   LYS  76          1HZ       LYS  76   0.502   7.441  12.343
  481   2HZ   LYS  76          2HZ       LYS  76   0.595   8.985  11.650
  482   3HZ   LYS  76          3HZ       LYS  76   1.988   8.026  11.769
  483    H    ARG  77           H        ARG  77   4.071   9.010   8.109
  484    HA   ARG  77           HA       ARG  77   4.997   6.793   6.467
  485   1HB   ARG  77          1HB       ARG  77   6.463   8.713   6.774
  486   2HB   ARG  77          2HB       ARG  77   6.424   8.493   8.518
  487   1HG   ARG  77          1HG       ARG  77   7.262   6.048   7.349
  488   2HG   ARG  77          2HG       ARG  77   8.196   7.357   6.622
  489   1HD   ARG  77          1HD       ARG  77   8.371   8.138   9.147
  490   2HD   ARG  77          2HD       ARG  77   8.103   6.421   9.442
  491    HE   ARG  77           HE       ARG  77  10.341   7.518   7.852
  492   1HH1  ARG  77          1HH1      ARG  77   8.999   5.084   9.988
  493   2HH1  ARG  77          2HH1      ARG  77  10.478   4.187  10.099
  494   1HH2  ARG  77          1HH2      ARG  77  12.267   6.327   7.982
  495   2HH2  ARG  77          2HH2      ARG  77  12.330   4.875   8.948
  496    H    ASN  78           H        ASN  78   5.013   4.753   7.093
  497    HA   ASN  78           HA       ASN  78   5.167   4.156   9.975
  498   1HB   ASN  78          1HB       ASN  78   3.144   3.347   8.364
  499   2HB   ASN  78          2HB       ASN  78   4.269   2.007   8.150
  500   1HD2  ASN  78          1HD2      ASN  78   1.897   1.486   9.280
  501   2HD2  ASN  78          2HD2      ASN  78   2.071   1.173  10.970
  502    H    ASP  79           H        ASP  79   6.135   1.884  10.319
  503    HA   ASP  79           HA       ASP  79   8.775   2.045   9.065
  504   1HB   ASP  79          1HB       ASP  79   7.819   1.613  11.742
  505   2HB   ASP  79          2HB       ASP  79   8.856   0.278  11.251
  506    H    ILE  80           H        ILE  80   9.784  -0.404   9.753
  507    HA   ILE  80           HA       ILE  80   8.816  -1.996   7.562
  508    HB   ILE  80           HB       ILE  80  11.050  -2.411   9.553
  509   1HG1  ILE  80          1HG1      ILE  80  12.088  -2.242   6.984
  510   2HG1  ILE  80          2HG1      ILE  80  10.797  -1.044   6.991
  511   1HG2  ILE  80          1HG2      ILE  80  10.780  -4.033   7.061
  512   2HG2  ILE  80          2HG2      ILE  80  11.695  -4.373   8.529
  513   3HG2  ILE  80          3HG2      ILE  80   9.937  -4.521   8.531
  514   1HD1  ILE  80          1HD1      ILE  80  13.236  -0.423   7.711
  515   2HD1  ILE  80          2HD1      ILE  80  11.840   0.266   8.541
  516   3HD1  ILE  80          3HD1      ILE  80  12.714  -1.085   9.260
  517    H    ASP  81           H        ASP  81   7.708  -3.860   7.613
  518    HA   ASP  81           HA       ASP  81   6.341  -5.509   8.334
  519   1HB   ASP  81          1HB       ASP  81   8.702  -5.699   9.933
  520   2HB   ASP  81          2HB       ASP  81   7.316  -6.065  10.955
  521    H    LYS  82           H        LYS  82   5.299  -3.081   8.620
  522    HA   LYS  82           HA       LYS  82   3.951  -3.152  11.234
  523   1HB   LYS  82          1HB       LYS  82   5.874  -1.291  10.580
  524   2HB   LYS  82          2HB       LYS  82   4.383  -0.456  10.171
  525   1HG   LYS  82          1HG       LYS  82   3.672  -0.366  12.331
  526   2HG   LYS  82          2HG       LYS  82   4.550  -1.822  12.798
  527   1HD   LYS  82          1HD       LYS  82   6.568  -0.685  13.017
  528   2HD   LYS  82          2HD       LYS  82   6.031   0.658  12.009
  529   1HE   LYS  82          1HE       LYS  82   4.400   0.277  14.394
  530   2HE   LYS  82          2HE       LYS  82   6.090   0.631  14.756
  531   1HZ   LYS  82          1HZ       LYS  82   5.960   2.688  13.796
  532   2HZ   LYS  82          2HZ       LYS  82   4.378   2.549  14.396
  533   3HZ   LYS  82          3HZ       LYS  82   4.692   2.263  12.757
  534    HA   PRO  83           HA       PRO  83   0.420  -2.573   8.581
  535   1HB   PRO  83          1HB       PRO  83  -1.474  -2.671  10.483
  536   2HB   PRO  83          2HB       PRO  83  -0.602  -4.117   9.962
  537   1HG   PRO  83          1HG       PRO  83  -0.241  -2.460  12.410
  538   2HG   PRO  83          2HG       PRO  83  -0.115  -4.216  12.212
  539   1HD   PRO  83          1HD       PRO  83   2.033  -2.460  12.311
  540   2HD   PRO  83          2HD       PRO  83   2.085  -4.098  11.632
  541    H    LEU  84           H        LEU  84  -0.146  -0.678   7.759
  542    HA   LEU  84           HA       LEU  84  -0.268   1.668   9.502
  543   1HB   LEU  84          1HB       LEU  84   0.671   1.281   6.893
  544   2HB   LEU  84          2HB       LEU  84  -0.823   2.182   6.707
  545    HG   LEU  84           HG       LEU  84   1.581   3.006   8.336
  546   1HD1  LEU  84          1HD1      LEU  84   2.281   4.028   6.508
  547   2HD1  LEU  84          2HD1      LEU  84   0.934   3.331   5.608
  548   3HD1  LEU  84          3HD1      LEU  84   0.754   4.903   6.388
  549   1HD2  LEU  84          1HD2      LEU  84  -0.329   5.093   7.974
  550   2HD2  LEU  84          2HD2      LEU  84  -1.125   3.706   8.716
  551   3HD2  LEU  84          3HD2      LEU  84   0.302   4.413   9.473
  552    H    LYS  85           H        LYS  85  -2.138   2.265  10.284
  553    HA   LYS  85           HA       LYS  85  -4.529   2.024   8.604
  554   1HB   LYS  85          1HB       LYS  85  -4.565   0.239  10.325
  555   2HB   LYS  85          2HB       LYS  85  -4.433   1.467  11.577
  556   1HG   LYS  85          1HG       LYS  85  -6.581   2.421  10.384
  557   2HG   LYS  85          2HG       LYS  85  -6.748   0.743   9.866
  558   1HD   LYS  85          1HD       LYS  85  -7.821   0.501  11.834
  559   2HD   LYS  85          2HD       LYS  85  -6.185   0.411  12.492
  560   1HE   LYS  85          1HE       LYS  85  -6.856   3.148  12.241
  561   2HE   LYS  85          2HE       LYS  85  -8.221   2.336  13.009
  562   1HZ   LYS  85          1HZ       LYS  85  -5.921   3.161  14.234
  563   2HZ   LYS  85          2HZ       LYS  85  -5.719   1.481  14.092
  564   3HZ   LYS  85          3HZ       LYS  85  -7.079   2.110  14.885
  565    H    TYR  86           H        TYR  86  -5.561   3.905   8.401
  566    HA   TYR  86           HA       TYR  86  -5.134   5.957  10.461
  567   1HB   TYR  86          1HB       TYR  86  -3.773   6.170   8.216
  568   2HB   TYR  86          2HB       TYR  86  -5.304   6.753   7.580
  569    HD1  TYR  86           HD1      TYR  86  -5.127   7.629  10.980
  570    HD2  TYR  86           HD2      TYR  86  -3.610   8.737   7.164
  571    HE1  TYR  86           HE1      TYR  86  -4.641   9.883  11.834
  572    HE2  TYR  86           HE2      TYR  86  -3.114  10.991   8.010
  573    HH   TYR  86           HH       TYR  86  -2.917  11.789  11.144
  574    H    GLU  87           H        GLU  87  -6.913   7.000  11.086
  575    HA   GLU  87           HA       GLU  87  -9.472   6.164  10.096
  576   1HB   GLU  87          1HB       GLU  87  -9.024   8.477  11.966
  577   2HB   GLU  87          2HB       GLU  87 -10.398   7.383  11.887
  578   1HG   GLU  87          1HG       GLU  87  -9.397   6.520  13.718
  579   2HG   GLU  87          2HG       GLU  87  -8.510   5.609  12.496
  580    H    ASP  88           H        ASP  88  -7.346   8.197   8.764
  581    HA   ASP  88           HA       ASP  88  -9.105  10.415   8.161
  582   1HB   ASP  88          1HB       ASP  88  -6.513  10.459   8.490
  583   2HB   ASP  88          2HB       ASP  88  -6.472   9.958   6.802
  584    H    TYR  89           H        TYR  89 -10.505   8.457   7.272
  585    HA   TYR  89           HA       TYR  89  -9.944   8.021   4.437
  586   1HB   TYR  89          1HB       TYR  89 -10.950   6.321   6.267
  587   2HB   TYR  89          2HB       TYR  89 -12.454   7.004   5.660
  588    HD1  TYR  89           HD1      TYR  89  -9.237   5.976   4.031
  589    HD2  TYR  89           HD2      TYR  89 -13.473   5.567   4.175
  590    HE1  TYR  89           HE1      TYR  89  -9.150   4.454   2.101
  591    HE2  TYR  89           HE2      TYR  89 -13.395   4.041   2.248
  592    HH   TYR  89           HH       TYR  89 -11.528   2.432   1.243
  593    H    TYR  90           H        TYR  90 -10.619  10.635   5.551
  594    HA   TYR  90           HA       TYR  90 -13.279  11.156   4.446
  595   1HB   TYR  90          1HB       TYR  90 -11.440  12.777   6.218
  596   2HB   TYR  90          2HB       TYR  90 -12.902  13.445   5.498
  597    HD1  TYR  90           HD1      TYR  90 -14.947  13.205   6.583
  598    HD2  TYR  90           HD2      TYR  90 -11.716  10.674   7.684
  599    HE1  TYR  90           HE1      TYR  90 -16.284  12.319   8.447
  600    HE2  TYR  90           HE2      TYR  90 -13.041   9.781   9.549
  601    HH   TYR  90           HH       TYR  90 -14.928  10.413  10.939
  602    H    THR  91           H        THR  91 -13.575  12.942   2.993
  603    HA   THR  91           HA       THR  91 -13.139  14.070   1.073
  604    HB   THR  91           HB       THR  91 -10.206  14.106   1.759
  605    HG1  THR  91           HG1      THR  91 -11.409  16.281   2.726
  606   1HG2  THR  91          1HG2      THR  91 -12.073  16.009   0.343
  607   2HG2  THR  91          2HG2      THR  91 -10.755  15.078  -0.369
  608   3HG2  THR  91          3HG2      THR  91 -10.401  16.390   0.755
  609    H    SER  92           H        SER  92 -13.624  11.687   0.484
  610    HA   SER  92           HA       SER  92 -11.456  10.147  -0.583
  611   1HB   SER  92          1HB       SER  92 -14.173   9.407  -1.409
  612   2HB   SER  92          2HB       SER  92 -12.949   8.455  -0.566
  613    HG   SER  92           HG       SER  92 -13.601   9.302   1.361
  614    H    GLY  93           H        GLY  93 -11.720  12.761  -1.750
  615   1HA   GLY  93          1HA       GLY  93 -12.317  12.012  -4.546
  616   2HA   GLY  93          2HA       GLY  93 -12.522  13.641  -3.913
  617    H    LEU  94           H        LEU  94  -9.850  12.183  -2.561
  618    HA   LEU  94           HA       LEU  94  -8.043  13.423  -4.529
  619   1HB   LEU  94          1HB       LEU  94  -7.677  13.073  -1.550
  620   2HB   LEU  94          2HB       LEU  94  -6.447  13.681  -2.640
  621    HG   LEU  94           HG       LEU  94  -9.102  15.063  -2.375
  622   1HD1  LEU  94          1HD1      LEU  94  -6.655  15.369  -0.644
  623   2HD1  LEU  94          2HD1      LEU  94  -7.915  16.595  -0.778
  624   3HD1  LEU  94          3HD1      LEU  94  -8.302  15.000  -0.135
  625   1HD2  LEU  94          1HD2      LEU  94  -8.201  16.318  -3.971
  626   2HD2  LEU  94          2HD2      LEU  94  -6.990  16.841  -2.800
  627   3HD2  LEU  94          3HD2      LEU  94  -6.664  15.461  -3.848
  628    H    SER  95           H        SER  95  -6.552  12.131  -5.447
  629    HA   SER  95           HA       SER  95  -6.647   9.337  -5.075
  630   1HB   SER  95          1HB       SER  95  -4.541  11.008  -6.466
  631   2HB   SER  95          2HB       SER  95  -4.766   9.270  -6.654
  632    HG   SER  95           HG       SER  95  -6.217   9.694  -8.094
  633    H    TRP  96           H        TRP  96  -5.787   8.193  -3.495
  634    HA   TRP  96           HA       TRP  96  -3.357   9.199  -2.188
  635   1HB   TRP  96          1HB       TRP  96  -4.068   8.164  -0.140
  636   2HB   TRP  96          2HB       TRP  96  -5.404   9.136  -0.746
  637    HD1  TRP  96           HD1      TRP  96  -7.573   7.813  -1.645
  638    HE1  TRP  96           HE1      TRP  96  -8.403   5.414  -1.211
  639    HE3  TRP  96           HE3      TRP  96  -3.272   5.825   0.251
  640    HZ2  TRP  96           HZ2      TRP  96  -7.361   2.990  -0.198
  641    HZ3  TRP  96           HZ3      TRP  96  -3.273   3.458   0.929
  642    HH2  TRP  96           HH2      TRP  96  -5.271   2.073   0.711
  643    H    ILE  97           H        ILE  97  -1.903   7.466  -1.337
  644    HA   ILE  97           HA       ILE  97  -2.015   4.985  -2.846
  645    HB   ILE  97           HB       ILE  97  -0.893   6.968  -4.161
  646   1HG1  ILE  97          1HG1      ILE  97   0.934   4.944  -4.687
  647   2HG1  ILE  97          2HG1      ILE  97  -0.480   4.106  -4.050
  648   1HG2  ILE  97          1HG2      ILE  97   1.597   6.903  -3.845
  649   2HG2  ILE  97          2HG2      ILE  97   0.695   7.705  -2.559
  650   3HG2  ILE  97          3HG2      ILE  97   1.308   6.070  -2.317
  651   1HD1  ILE  97          1HD1      ILE  97  -0.074   5.376  -6.613
  652   2HD1  ILE  97          2HD1      ILE  97  -1.305   4.221  -6.102
  653   3HD1  ILE  97          3HD1      ILE  97  -1.538   5.944  -5.809
  654    H    TRP  98           H        TRP  98  -0.598   3.374  -2.106
  655    HA   TRP  98           HA       TRP  98   0.788   3.881   0.424
  656   1HB   TRP  98          1HB       TRP  98   0.400   1.319  -1.153
  657   2HB   TRP  98          2HB       TRP  98   1.236   1.429   0.388
  658    HD1  TRP  98           HD1      TRP  98  -2.028   0.614  -1.015
  659    HE1  TRP  98           HE1      TRP  98  -3.833   0.556   0.815
  660    HE3  TRP  98           HE3      TRP  98   0.531   2.973   2.741
  661    HZ2  TRP  98           HZ2      TRP  98  -4.141   1.401   3.487
  662    HZ3  TRP  98           HZ3      TRP  98  -0.596   3.300   4.899
  663    HH2  TRP  98           HH2      TRP  98  -2.882   2.532   5.264
  664    H    LYS  99           H        LYS  99   2.761   4.800   0.130
  665    HA   LYS  99           HA       LYS  99   4.236   4.107  -2.298
  666   1HB   LYS  99          1HB       LYS  99   3.787   6.527  -1.395
  667   2HB   LYS  99          2HB       LYS  99   5.168   6.181  -0.362
  668   1HG   LYS  99          1HG       LYS  99   5.875   5.406  -2.983
  669   2HG   LYS  99          2HG       LYS  99   5.136   7.006  -3.083
  670   1HD   LYS  99          1HD       LYS  99   6.762   7.984  -1.781
  671   2HD   LYS  99          2HD       LYS  99   7.157   6.474  -0.957
  672   1HE   LYS  99          1HE       LYS  99   8.902   6.289  -2.323
  673   2HE   LYS  99          2HE       LYS  99   7.756   5.997  -3.630
  674   1HZ   LYS  99          1HZ       LYS  99   9.539   7.984  -3.613
  675   2HZ   LYS  99          2HZ       LYS  99   8.187   8.784  -2.969
  676   3HZ   LYS  99          3HZ       LYS  99   8.080   8.027  -4.486
  677    H    ILE 100           H        ILE 100   5.863   2.769  -2.278
  678    HA   ILE 100           HA       ILE 100   7.102   2.049   0.293
  679    HB   ILE 100           HB       ILE 100   7.173   0.561  -2.338
  680   1HG1  ILE 100          1HG1      ILE 100   5.745  -0.250   0.194
  681   2HG1  ILE 100          2HG1      ILE 100   4.948   0.661  -1.083
  682   1HG2  ILE 100          1HG2      ILE 100   9.169   0.242  -0.898
  683   2HG2  ILE 100          2HG2      ILE 100   8.104  -0.333   0.386
  684   3HG2  ILE 100          3HG2      ILE 100   8.227  -1.234  -1.125
  685   1HD1  ILE 100          1HD1      ILE 100   4.512  -1.758  -1.184
  686   2HD1  ILE 100          2HD1      ILE 100   5.295  -1.140  -2.640
  687   3HD1  ILE 100          3HD1      ILE 100   6.234  -2.034  -1.445
  688    H    LYS 101           H        LYS 101   8.834   3.253   0.665
  689    HA   LYS 101           HA       LYS 101  10.753   3.607  -1.542
  690   1HB   LYS 101          1HB       LYS 101   9.746   5.679  -0.418
  691   2HB   LYS 101          2HB       LYS 101  10.706   5.242   0.989
  692   1HG   LYS 101          1HG       LYS 101  12.496   5.155  -1.131
  693   2HG   LYS 101          2HG       LYS 101  11.496   6.574  -1.449
  694   1HD   LYS 101          1HD       LYS 101  11.956   7.379   0.826
  695   2HD   LYS 101          2HD       LYS 101  12.983   5.971   1.104
  696   1HE   LYS 101          1HE       LYS 101  14.465   7.705   0.534
  697   2HE   LYS 101          2HE       LYS 101  14.311   6.731  -0.929
  698   1HZ   LYS 101          1HZ       LYS 101  14.022   9.395  -0.841
  699   2HZ   LYS 101          2HZ       LYS 101  12.403   8.902  -0.710
  700   3HZ   LYS 101          3HZ       LYS 101  13.337   8.400  -2.035
  701    H    ASN 102           H        ASN 102  12.636   2.543  -1.355
  702    HA   ASN 102           HA       ASN 102  13.103   1.184   1.209
  703   1HB   ASN 102          1HB       ASN 102  12.653  -0.089  -1.001
  704   2HB   ASN 102          2HB       ASN 102  14.310   0.345  -1.407
  705   1HD2  ASN 102          1HD2      ASN 102  15.156  -1.654  -1.353
  706   2HD2  ASN 102          2HD2      ASN 102  15.263  -2.633   0.076
  707    H    ASN 103           H        ASN 103  15.173   1.051   2.069
  708    HA   ASN 103           HA       ASN 103  17.121   2.956   0.936
  709   1HB   ASN 103          1HB       ASN 103  16.955   2.131   3.840
  710   2HB   ASN 103          2HB       ASN 103  17.901   3.444   3.143
  711   1HD2  ASN 103          1HD2      ASN 103  15.600   3.103   5.156
  712   2HD2  ASN 103          2HD2      ASN 103  14.519   4.387   4.723
  713    H    SER 104           H        SER 104  16.509  -0.269   1.410
  714    HA   SER 104           HA       SER 104  19.122  -1.133   2.196
  715   1HB   SER 104          1HB       SER 104  16.626  -2.334   2.046
  716   2HB   SER 104          2HB       SER 104  17.541  -3.124   0.762
  717    HG   SER 104           HG       SER 104  17.726  -3.438   3.438
  718    H    SER 105           H        SER 105  20.773  -1.917   0.947
  719    HA   SER 105           HA       SER 105  20.974  -0.878  -1.695
  720   1HB   SER 105          1HB       SER 105  23.027  -2.787  -1.172
  721   2HB   SER 105          2HB       SER 105  23.142  -1.026  -1.166
  722    HG   SER 105           HG       SER 105  23.696  -2.153   0.855
  723    H    GLU 106           H        GLU 106  20.563  -4.100  -0.319
  724    HA   GLU 106           HA       GLU 106  20.709  -5.410  -2.874
  725   1HB   GLU 106          1HB       GLU 106  19.519  -6.853  -0.586
  726   2HB   GLU 106          2HB       GLU 106  20.767  -7.364  -1.712
  727   1HG   GLU 106          1HG       GLU 106  21.289  -5.341   0.438
  728   2HG   GLU 106          2HG       GLU 106  21.432  -7.077   0.718
  729    H    THR 107           H        THR 107  19.022  -6.577  -3.865
  730    HA   THR 107           HA       THR 107  16.499  -5.351  -3.982
  731    HB   THR 107           HB       THR 107  16.906  -8.242  -4.698
  732    HG1  THR 107           HG1      THR 107  18.738  -7.146  -5.516
  733   1HG2  THR 107          1HG2      THR 107  14.716  -6.861  -4.948
  734   2HG2  THR 107          2HG2      THR 107  15.251  -7.885  -6.284
  735   3HG2  THR 107          3HG2      THR 107  15.536  -6.146  -6.339
  736    H    SER 108           H        SER 108  15.167  -5.245  -2.291
  737    HA   SER 108           HA       SER 108  15.212  -7.399  -0.316
  738   1HB   SER 108          1HB       SER 108  13.611  -4.947   0.167
  739   2HB   SER 108          2HB       SER 108  14.691  -5.825   1.252
  740    HG   SER 108           HG       SER 108  16.322  -4.911  -0.478
  741    H    ASN 109           H        ASN 109  13.375  -8.464   0.375
  742    HA   ASN 109           HA       ASN 109  11.204  -8.585  -1.524
  743   1HB   ASN 109          1HB       ASN 109  11.123 -10.706  -0.804
  744   2HB   ASN 109          2HB       ASN 109  12.350 -10.351   0.403
  745   1HD2  ASN 109          1HD2      ASN 109   8.930 -10.630  -0.213
  746   2HD2  ASN 109          2HD2      ASN 109   8.438 -10.744   1.444
  747    H    TYR 110           H        TYR 110   9.313  -7.572  -1.358
  748    HA   TYR 110           HA       TYR 110   8.577  -6.503   1.277
  749   1HB   TYR 110          1HB       TYR 110   7.548  -4.585   0.275
  750   2HB   TYR 110          2HB       TYR 110   9.191  -4.700  -0.338
  751    HD1  TYR 110           HD1      TYR 110   5.624  -5.023  -1.216
  752    HD2  TYR 110           HD2      TYR 110   9.620  -5.070  -2.673
  753    HE1  TYR 110           HE1      TYR 110   4.781  -4.837  -3.517
  754    HE2  TYR 110           HE2      TYR 110   8.787  -4.891  -4.975
  755    HH   TYR 110           HH       TYR 110   5.919  -3.865  -5.824
  756    H    SER 111           H        SER 111   6.571  -6.859   1.984
  757    HA   SER 111           HA       SER 111   4.716  -8.278   0.204
  758   1HB   SER 111          1HB       SER 111   5.673 -10.018   1.515
  759   2HB   SER 111          2HB       SER 111   5.611  -9.051   2.983
  760    HG   SER 111           HG       SER 111   3.250  -9.170   2.746
  761    H    LEU 112           H        LEU 112   3.451  -6.469  -0.071
  762    HA   LEU 112           HA       LEU 112   2.522  -5.031   2.293
  763   1HB   LEU 112          1HB       LEU 112   3.225  -3.843   0.206
  764   2HB   LEU 112          2HB       LEU 112   1.843  -4.549  -0.609
  765    HG   LEU 112           HG       LEU 112   0.337  -3.368   0.954
  766   1HD1  LEU 112          1HD1      LEU 112   1.520  -1.422   2.197
  767   2HD1  LEU 112          2HD1      LEU 112   1.489  -3.028   2.924
  768   3HD1  LEU 112          3HD1      LEU 112   2.940  -2.460   2.098
  769   1HD2  LEU 112          1HD2      LEU 112   2.156  -2.068  -0.945
  770   2HD2  LEU 112          2HD2      LEU 112   0.395  -2.035  -0.852
  771   3HD2  LEU 112          3HD2      LEU 112   1.352  -0.974   0.180
  772    H    ASP 113           H        ASP 113   1.057  -6.241   3.365
  773    HA   ASP 113           HA       ASP 113  -1.064  -7.582   1.882
  774   1HB   ASP 113          1HB       ASP 113  -0.372  -7.523   4.829
  775   2HB   ASP 113          2HB       ASP 113  -1.780  -8.356   4.178
  776    H    ALA 114           H        ALA 114  -2.575  -6.212   1.175
  777    HA   ALA 114           HA       ALA 114  -3.650  -4.239   3.090
  778   1HB   ALA 114          1HB       ALA 114  -3.854  -3.960   0.107
  779   2HB   ALA 114          2HB       ALA 114  -4.029  -2.720   1.352
  780   3HB   ALA 114          3HB       ALA 114  -2.438  -3.393   0.996
  781    H    THR 115           H        THR 115  -5.882  -4.012   3.245
  782    HA   THR 115           HA       THR 115  -7.448  -6.135   1.938
  783    HB   THR 115           HB       THR 115  -8.870  -4.678   4.010
  784    HG1  THR 115           HG1      THR 115  -6.276  -5.611   4.533
  785   1HG2  THR 115          1HG2      THR 115  -9.231  -6.958   4.866
  786   2HG2  THR 115          2HG2      THR 115  -8.050  -7.571   3.709
  787   3HG2  THR 115          3HG2      THR 115  -9.554  -6.854   3.135
  788    H    VAL 116           H        VAL 116  -8.047  -5.240   0.014
  789    HA   VAL 116           HA       VAL 116  -9.535  -2.706   0.148
  790    HB   VAL 116           HB       VAL 116  -8.607  -2.284  -2.218
  791   1HG1  VAL 116          1HG1      VAL 116  -7.145  -0.788  -1.335
  792   2HG1  VAL 116          2HG1      VAL 116  -7.987  -1.246   0.145
  793   3HG1  VAL 116          3HG1      VAL 116  -6.424  -1.967  -0.240
  794   1HG2  VAL 116          1HG2      VAL 116  -6.286  -3.917  -1.240
  795   2HG2  VAL 116          2HG2      VAL 116  -7.545  -4.614  -2.260
  796   3HG2  VAL 116          3HG2      VAL 116  -6.579  -3.262  -2.851
  797    H    HIS 117           H        HIS 117 -11.080  -2.396  -1.550
  798    HA   HIS 117           HA       HIS 117 -12.295  -4.894  -2.392
  799   1HB   HIS 117          1HB       HIS 117 -13.804  -3.280  -1.451
  800   2HB   HIS 117          2HB       HIS 117 -13.207  -2.013  -2.516
  801    HD1  HIS 117           HD1      HIS 117 -14.530  -5.499  -3.337
  802    HD2  HIS 117           HD2      HIS 117 -15.264  -1.491  -4.183
  803    HE1  HIS 117           HE1      HIS 117 -16.373  -5.490  -5.054
  804    HE2  HIS 117           HE2      HIS 117 -16.817  -3.052  -5.538
  805    H    ASP 118           H        ASP 118 -11.291  -5.743  -4.120
  806    HA   ASP 118           HA       ASP 118 -10.129  -4.231  -6.222
  807   1HB   ASP 118          1HB       ASP 118  -9.591  -6.636  -5.536
  808   2HB   ASP 118          2HB       ASP 118 -11.028  -7.101  -6.436
  809    H    ASP 119           H        ASP 119 -11.244  -3.043  -7.589
  810    HA   ASP 119           HA       ASP 119 -13.293  -4.253  -9.204
  811   1HB   ASP 119          1HB       ASP 119 -14.314  -3.139  -7.015
  812   2HB   ASP 119          2HB       ASP 119 -14.140  -1.672  -7.973
  813    H    LYS 120           H        LYS 120 -10.598  -2.788  -9.181
  814    HA   LYS 120           HA       LYS 120 -11.247  -0.886 -11.315
  815   1HB   LYS 120          1HB       LYS 120  -9.089   0.334 -10.303
  816   2HB   LYS 120          2HB       LYS 120 -10.723   0.723  -9.792
  817   1HG   LYS 120          1HG       LYS 120 -10.384  -0.041  -7.716
  818   2HG   LYS 120          2HG       LYS 120  -9.485  -1.453  -8.277
  819   1HD   LYS 120          1HD       LYS 120  -7.724  -0.395  -7.350
  820   2HD   LYS 120          2HD       LYS 120  -7.729   0.530  -8.854
  821   1HE   LYS 120          1HE       LYS 120  -9.564   1.575  -6.833
  822   2HE   LYS 120          2HE       LYS 120  -7.877   1.579  -6.317
  823   1HZ   LYS 120          1HZ       LYS 120  -7.269   2.876  -8.204
  824   2HZ   LYS 120          2HZ       LYS 120  -8.613   3.632  -7.484
  825   3HZ   LYS 120          3HZ       LYS 120  -8.810   2.719  -8.894
  826    H    GLU 121           H        GLU 121  -9.248  -0.291 -12.580
  827    HA   GLU 121           HA       GLU 121  -7.430  -2.601 -12.777
  828   1HB   GLU 121          1HB       GLU 121  -7.487  -1.847 -15.339
  829   2HB   GLU 121          2HB       GLU 121  -8.613  -3.027 -14.683
  830   1HG   GLU 121          1HG       GLU 121  -9.670  -0.411 -14.291
  831   2HG   GLU 121          2HG       GLU 121  -9.189  -0.598 -15.977
  832    H    ASP 122           H        ASP 122  -6.428  -0.849 -11.295
  833    HA   ASP 122           HA       ASP 122  -5.422   1.507 -12.542
  834   1HB   ASP 122          1HB       ASP 122  -5.004   0.216  -9.862
  835   2HB   ASP 122          2HB       ASP 122  -4.000   1.574 -10.367
  836    H    SER 123           H        SER 123  -3.077   2.043 -12.565
  837    HA   SER 123           HA       SER 123  -2.005   0.247 -14.485
  838   1HB   SER 123          1HB       SER 123  -0.968   2.836 -13.343
  839   2HB   SER 123          2HB       SER 123  -0.154   1.945 -14.630
  840    HG   SER 123           HG       SER 123  -1.873   2.272 -15.964
  841    H    ASP 124           H        ASP 124  -1.132   0.830 -11.096
  842    HA   ASP 124           HA       ASP 124   1.269  -0.780 -11.596
  843   1HB   ASP 124          1HB       ASP 124   1.697   1.664 -11.029
  844   2HB   ASP 124          2HB       ASP 124   1.109   1.278  -9.411
  845    H    VAL 125           H        VAL 125   1.253  -2.619 -10.694
  846    HA   VAL 125           HA       VAL 125  -0.098  -2.975  -8.108
  847    HB   VAL 125           HB       VAL 125   0.166  -5.140 -10.182
  848   1HG1  VAL 125          1HG1      VAL 125  -1.316  -4.816  -7.612
  849   2HG1  VAL 125          2HG1      VAL 125  -1.971  -5.876  -8.860
  850   3HG1  VAL 125          3HG1      VAL 125  -0.368  -6.185  -8.193
  851   1HG2  VAL 125          1HG2      VAL 125  -1.926  -3.026  -9.968
  852   2HG2  VAL 125          2HG2      VAL 125  -1.150  -3.697 -11.404
  853   3HG2  VAL 125          3HG2      VAL 125  -2.361  -4.638 -10.534
  854    H    LEU 126           H        LEU 126   2.812  -2.609  -9.365
  855    HA   LEU 126           HA       LEU 126   4.101  -4.401  -7.490
  856   1HB   LEU 126          1HB       LEU 126   3.793  -5.222 -10.150
  857   2HB   LEU 126          2HB       LEU 126   5.455  -4.678 -10.028
  858    HG   LEU 126           HG       LEU 126   4.822  -6.339  -7.772
  859   1HD1  LEU 126          1HD1      LEU 126   4.606  -8.459  -9.153
  860   2HD1  LEU 126          2HD1      LEU 126   3.163  -7.455  -9.006
  861   3HD1  LEU 126          3HD1      LEU 126   4.119  -7.412 -10.486
  862   1HD2  LEU 126          1HD2      LEU 126   6.605  -7.370  -9.852
  863   2HD2  LEU 126          2HD2      LEU 126   6.987  -5.735  -9.311
  864   3HD2  LEU 126          3HD2      LEU 126   6.911  -7.056  -8.145
  865    H    THR 127           H        THR 127   5.385  -2.834 -10.421
  866    HA   THR 127           HA       THR 127   6.452  -0.608  -8.927
  867    HB   THR 127           HB       THR 127   8.530  -2.270 -10.329
  868    HG1  THR 127           HG1      THR 127   7.328  -2.783  -7.880
  869   1HG2  THR 127          1HG2      THR 127   9.464  -0.902  -8.024
  870   2HG2  THR 127          2HG2      THR 127   8.473   0.221  -8.955
  871   3HG2  THR 127          3HG2      THR 127   9.846  -0.583  -9.715
  872    H    LYS 128           H        LYS 128   5.000   0.325 -10.544
  873    HA   LYS 128           HA       LYS 128   6.389   0.704 -13.125
  874   1HB   LYS 128          1HB       LYS 128   3.863  -0.452 -12.736
  875   2HB   LYS 128          2HB       LYS 128   3.543   1.177 -13.314
  876   1HG   LYS 128          1HG       LYS 128   3.719   0.176 -15.322
  877   2HG   LYS 128          2HG       LYS 128   5.438   0.470 -15.059
  878   1HD   LYS 128          1HD       LYS 128   5.882  -1.711 -14.990
  879   2HD   LYS 128          2HD       LYS 128   4.596  -2.000 -13.818
  880   1HE   LYS 128          1HE       LYS 128   2.992  -1.849 -15.791
  881   2HE   LYS 128          2HE       LYS 128   4.419  -1.963 -16.819
  882   1HZ   LYS 128          1HZ       LYS 128   4.240  -4.150 -16.621
  883   2HZ   LYS 128          2HZ       LYS 128   3.037  -4.026 -15.432
  884   3HZ   LYS 128          3HZ       LYS 128   4.673  -4.000 -14.989
  885    H    CYS 129           H        CYS 129   4.901   2.067 -10.381
  886    HA   CYS 129           HA       CYS 129   4.829   4.755 -11.551
  887   1HB   CYS 129          1HB       CYS 129   2.842   3.997 -10.313
  888   2HB   CYS 129          2HB       CYS 129   3.830   3.700  -8.889
  889    HA   PRO 130           HA       PRO 130   8.719   5.076  -9.233
  890   1HB   PRO 130          1HB       PRO 130  10.181   6.119 -11.236
  891   2HB   PRO 130          2HB       PRO 130   9.784   4.400 -11.159
  892   1HG   PRO 130          1HG       PRO 130   8.794   6.453 -13.001
  893   2HG   PRO 130          2HG       PRO 130   8.719   4.689 -13.145
  894   1HD   PRO 130          1HD       PRO 130   6.669   6.545 -12.215
  895   2HD   PRO 130          2HD       PRO 130   6.521   4.819 -12.601
  896    H    VAL 131           H        VAL 131   7.675   6.758  -7.921
  897    HA   VAL 131           HA       VAL 131   8.998   9.274  -8.319
  898    HB   VAL 131           HB       VAL 131   7.182   9.996  -9.586
  899   1HG1  VAL 131          1HG1      VAL 131   5.010   9.276  -9.511
  900   2HG1  VAL 131          2HG1      VAL 131   5.862   7.848  -8.921
  901   3HG1  VAL 131          3HG1      VAL 131   5.067   8.933  -7.781
  902   1HG2  VAL 131          1HG2      VAL 131   6.969  11.816  -8.337
  903   2HG2  VAL 131          2HG2      VAL 131   5.614  11.033  -7.523
  904   3HG2  VAL 131          3HG2      VAL 131   7.241  10.898  -6.856
  Start of MODEL    2
    1   1H    ARG  14          1H        ARG  14  -2.669 -16.385  -3.289
    2    HA   ARG  14           HA       ARG  14  -1.620 -14.653  -1.206
    3   1HB   ARG  14          1HB       ARG  14  -2.869 -12.678  -2.206
    4   2HB   ARG  14          2HB       ARG  14  -1.386 -13.140  -3.028
    5   1HG   ARG  14          1HG       ARG  14  -2.463 -13.514  -4.939
    6   2HG   ARG  14          2HG       ARG  14  -3.685 -14.505  -4.138
    7   1HD   ARG  14          1HD       ARG  14  -4.848 -12.679  -5.087
    8   2HD   ARG  14          2HD       ARG  14  -4.742 -12.343  -3.359
    9    HE   ARG  14           HE       ARG  14  -2.703 -10.943  -4.085
   10   1HH1  ARG  14          1HH1      ARG  14  -5.622 -11.364  -5.981
   11   2HH1  ARG  14          2HH1      ARG  14  -5.504  -9.806  -6.746
   12   1HH2  ARG  14          1HH2      ARG  14  -2.548  -8.888  -5.099
   13   2HH2  ARG  14          2HH2      ARG  14  -3.751  -8.405  -6.258
   14    H    ILE  15           H        ILE  15  -3.332 -13.796   0.150
   15    HA   ILE  15           HA       ILE  15  -5.484 -15.641   0.455
   16    HB   ILE  15           HB       ILE  15  -5.039 -12.986   1.834
   17   1HG1  ILE  15          1HG1      ILE  15  -4.575 -15.211   3.537
   18   2HG1  ILE  15          2HG1      ILE  15  -3.682 -15.498   2.047
   19   1HG2  ILE  15          1HG2      ILE  15  -7.296 -13.515   2.175
   20   2HG2  ILE  15          2HG2      ILE  15  -6.957 -15.236   2.343
   21   3HG2  ILE  15          3HG2      ILE  15  -6.481 -14.115   3.618
   22   1HD1  ILE  15          1HD1      ILE  15  -2.927 -13.916   4.212
   23   2HD1  ILE  15          2HD1      ILE  15  -2.124 -14.053   2.649
   24   3HD1  ILE  15          3HD1      ILE  15  -3.323 -12.789   2.915
   25    HA   PRO  16           HA       PRO  16  -8.274 -13.574  -2.347
   26   1HB   PRO  16          1HB       PRO  16 -10.339 -15.352  -1.305
   27   2HB   PRO  16          2HB       PRO  16  -9.604 -15.320  -2.908
   28   1HG   PRO  16          1HG       PRO  16  -9.165 -17.325  -1.146
   29   2HG   PRO  16          2HG       PRO  16  -7.946 -16.804  -2.324
   30   1HD   PRO  16          1HD       PRO  16  -8.172 -16.144   0.594
   31   2HD   PRO  16          2HD       PRO  16  -6.731 -16.568  -0.358
   32    H    ASN  17           H        ASN  17  -7.842 -12.302   0.132
   33    HA   ASN  17           HA       ASN  17 -10.345 -10.909   0.442
   34   1HB   ASN  17          1HB       ASN  17 -10.439 -12.863   2.093
   35   2HB   ASN  17          2HB       ASN  17  -9.097 -12.093   2.932
   36   1HD2  ASN  17          1HD2      ASN  17 -11.187 -12.448   4.428
   37   2HD2  ASN  17          2HD2      ASN  17 -12.089 -10.985   4.671
   38    H    ILE  18           H        ILE  18  -7.403 -11.360   2.378
   39    HA   ILE  18           HA       ILE  18  -6.724  -8.553   1.948
   40    HB   ILE  18           HB       ILE  18  -4.669  -9.490   3.456
   41   1HG1  ILE  18          1HG1      ILE  18  -6.969 -10.847   4.782
   42   2HG1  ILE  18          2HG1      ILE  18  -6.160 -11.701   3.473
   43   1HG2  ILE  18          1HG2      ILE  18  -7.339  -8.496   4.429
   44   2HG2  ILE  18          2HG2      ILE  18  -5.851  -8.508   5.377
   45   3HG2  ILE  18          3HG2      ILE  18  -5.965  -7.513   3.925
   46   1HD1  ILE  18          1HD1      ILE  18  -4.755 -10.595   5.891
   47   2HD1  ILE  18          2HD1      ILE  18  -5.304 -12.263   5.726
   48   3HD1  ILE  18          3HD1      ILE  18  -4.070 -11.628   4.637
   49    H    ALA  19           H        ALA  19  -5.722  -8.216   0.087
   50    HA   ALA  19           HA       ALA  19  -4.392 -10.317  -1.323
   51   1HB   ALA  19          1HB       ALA  19  -5.702  -8.308  -2.287
   52   2HB   ALA  19          2HB       ALA  19  -4.189  -7.427  -2.079
   53   3HB   ALA  19          3HB       ALA  19  -4.244  -8.851  -3.118
   54    H    THR  20           H        THR  20  -2.483 -11.008  -0.762
   55    HA   THR  20           HA       THR  20  -0.592  -9.369   0.643
   56    HB   THR  20           HB       THR  20   0.289 -11.976  -0.417
   57    HG1  THR  20           HG1      THR  20  -1.922 -11.732   1.379
   58   1HG2  THR  20          1HG2      THR  20   0.508 -12.111   2.268
   59   2HG2  THR  20          2HG2      THR  20   0.489 -10.360   2.054
   60   3HG2  THR  20          3HG2      THR  20   1.710 -11.335   1.237
   61    H    TYR  21           H        TYR  21   0.497  -7.899  -0.458
   62    HA   TYR  21           HA       TYR  21   1.392  -8.404  -3.179
   63   1HB   TYR  21          1HB       TYR  21   1.435  -6.017  -1.348
   64   2HB   TYR  21          2HB       TYR  21   2.437  -6.046  -2.795
   65    HD1  TYR  21           HD1      TYR  21   0.754  -3.887  -2.857
   66    HD2  TYR  21           HD2      TYR  21  -0.317  -7.925  -3.654
   67    HE1  TYR  21           HE1      TYR  21  -1.162  -3.112  -4.189
   68    HE2  TYR  21           HE2      TYR  21  -2.233  -7.162  -4.985
   69    HH   TYR  21           HH       TYR  21  -2.590  -3.948  -6.005
   70    H    THR  22           H        THR  22   2.736 -10.198  -2.556
   71    HA   THR  22           HA       THR  22   5.104  -9.604  -0.989
   72    HB   THR  22           HB       THR  22   4.945 -12.191  -2.368
   73    HG1  THR  22           HG1      THR  22   3.159 -12.929  -1.272
   74   1HG2  THR  22          1HG2      THR  22   6.372 -12.569  -0.689
   75   2HG2  THR  22          2HG2      THR  22   4.986 -12.530   0.401
   76   3HG2  THR  22          3HG2      THR  22   5.918 -11.062   0.109
   77    H    GLY  23           H        GLY  23   5.795  -7.968  -2.621
   78   1HA   GLY  23          1HA       GLY  23   7.008  -9.224  -5.004
   79   2HA   GLY  23          2HA       GLY  23   6.496  -7.546  -4.922
   80    H    THR  24           H        THR  24   8.962  -7.959  -5.820
   81    HA   THR  24           HA       THR  24  10.735  -7.441  -3.536
   82    HB   THR  24           HB       THR  24  11.834  -8.041  -6.244
   83    HG1  THR  24           HG1      THR  24  10.662  -9.945  -4.466
   84   1HG2  THR  24          1HG2      THR  24  12.960  -7.597  -3.802
   85   2HG2  THR  24          2HG2      THR  24  13.729  -8.504  -5.105
   86   3HG2  THR  24          3HG2      THR  24  12.866  -9.358  -3.826
   87    H    ILE  25           H        ILE  25  11.435  -5.438  -3.261
   88    HA   ILE  25           HA       ILE  25  11.067  -3.501  -5.420
   89    HB   ILE  25           HB       ILE  25  10.179  -3.026  -3.121
   90   1HG1  ILE  25          1HG1      ILE  25  12.272  -1.046  -4.033
   91   2HG1  ILE  25          2HG1      ILE  25  10.716  -1.260  -4.830
   92   1HG2  ILE  25          1HG2      ILE  25  13.067  -2.610  -2.375
   93   2HG2  ILE  25          2HG2      ILE  25  11.652  -2.404  -1.342
   94   3HG2  ILE  25          3HG2      ILE  25  12.108  -4.013  -1.903
   95   1HD1  ILE  25          1HD1      ILE  25   9.544  -0.355  -3.052
   96   2HD1  ILE  25          2HD1      ILE  25  10.861  -0.630  -1.912
   97   3HD1  ILE  25          3HD1      ILE  25  10.997   0.641  -3.126
   98    H    GLN  26           H        GLN  26  12.756  -2.047  -6.008
   99    HA   GLN  26           HA       GLN  26  15.270  -3.400  -6.268
  100   1HB   GLN  26          1HB       GLN  26  13.869  -1.495  -7.742
  101   2HB   GLN  26          2HB       GLN  26  15.268  -0.624  -7.128
  102   1HG   GLN  26          1HG       GLN  26  15.669  -3.291  -8.387
  103   2HG   GLN  26          2HG       GLN  26  15.362  -1.889  -9.413
  104   1HE2  GLN  26          1HE2      GLN  26  16.878  -0.269  -9.551
  105   2HE2  GLN  26          2HE2      GLN  26  18.498  -0.454  -8.951
  106    H    GLY  27           H        GLY  27  17.339  -2.203  -5.892
  107   1HA   GLY  27          1HA       GLY  27  17.473  -1.391  -3.148
  108   2HA   GLY  27          2HA       GLY  27  18.812  -1.468  -4.285
  109    H    LYS  28           H        LYS  28  17.360   0.557  -2.325
  110    HA   LYS  28           HA       LYS  28  17.125   2.800  -2.113
  111   1HB   LYS  28          1HB       LYS  28  19.172   2.652  -4.311
  112   2HB   LYS  28          2HB       LYS  28  18.559   4.205  -3.759
  113   1HG   LYS  28          1HG       LYS  28  20.070   2.154  -2.161
  114   2HG   LYS  28          2HG       LYS  28  20.588   3.782  -2.601
  115   1HD   LYS  28          1HD       LYS  28  18.175   4.156  -1.271
  116   2HD   LYS  28          2HD       LYS  28  18.990   2.889  -0.354
  117   1HE   LYS  28          1HE       LYS  28  20.945   4.816  -0.952
  118   2HE   LYS  28          2HE       LYS  28  19.519   5.711  -0.429
  119   1HZ   LYS  28          1HZ       LYS  28  20.387   3.383   1.138
  120   2HZ   LYS  28          2HZ       LYS  28  19.593   4.796   1.650
  121   3HZ   LYS  28          3HZ       LYS  28  21.251   4.836   1.292
  122    H    GLY  29           H        GLY  29  15.155   1.445  -3.574
  123   1HA   GLY  29          1HA       GLY  29  14.385   3.478  -5.567
  124   2HA   GLY  29          2HA       GLY  29  13.935   1.783  -5.683
  125    H    GLU  30           H        GLU  30  12.155   3.972  -5.758
  126    HA   GLU  30           HA       GLU  30  10.507   3.340  -3.405
  127   1HB   GLU  30          1HB       GLU  30  10.225   6.010  -4.725
  128   2HB   GLU  30          2HB       GLU  30   9.871   5.543  -3.070
  129   1HG   GLU  30          1HG       GLU  30  12.319   5.401  -2.650
  130   2HG   GLU  30          2HG       GLU  30  12.587   6.035  -4.272
  131    H    VAL  31           H        VAL  31   8.664   2.381  -4.017
  132    HA   VAL  31           HA       VAL  31   7.834   2.722  -6.828
  133    HB   VAL  31           HB       VAL  31   6.675   0.525  -6.585
  134   1HG1  VAL  31          1HG1      VAL  31   8.912  -0.798  -6.406
  135   2HG1  VAL  31          2HG1      VAL  31   8.660   0.332  -7.737
  136   3HG1  VAL  31          3HG1      VAL  31   9.636   0.808  -6.347
  137   1HG2  VAL  31          1HG2      VAL  31   6.636  -0.678  -4.686
  138   2HG2  VAL  31          2HG2      VAL  31   8.294  -0.252  -4.261
  139   3HG2  VAL  31          3HG2      VAL  31   6.977   0.868  -3.909
  140    H    CYS  32           H        CYS  32   5.536   2.451  -7.273
  141    HA   CYS  32           HA       CYS  32   3.923   3.758  -5.192
  142   1HB   CYS  32          1HB       CYS  32   2.724   4.597  -7.439
  143   2HB   CYS  32          2HB       CYS  32   4.046   5.475  -6.678
  144    H    ILE  33           H        ILE  33   2.559   2.236  -4.457
  145    HA   ILE  33           HA       ILE  33   0.830   0.964  -6.471
  146    HB   ILE  33           HB       ILE  33   0.444  -0.728  -4.456
  147   1HG1  ILE  33          1HG1      ILE  33   3.392  -0.407  -4.143
  148   2HG1  ILE  33          2HG1      ILE  33   2.346   0.690  -3.247
  149   1HG2  ILE  33          1HG2      ILE  33   1.052  -1.980  -6.187
  150   2HG2  ILE  33          2HG2      ILE  33   2.084  -0.705  -6.835
  151   3HG2  ILE  33          3HG2      ILE  33   2.713  -1.816  -5.619
  152   1HD1  ILE  33          1HD1      ILE  33   2.036  -0.863  -1.710
  153   2HD1  ILE  33          2HD1      ILE  33   1.347  -1.944  -2.922
  154   3HD1  ILE  33          3HD1      ILE  33   3.081  -1.963  -2.610
  155    H    ILE  34           H        ILE  34  -1.264   1.455  -6.264
  156    HA   ILE  34           HA       ILE  34  -2.053   3.340  -4.266
  157    HB   ILE  34           HB       ILE  34  -4.328   3.139  -5.275
  158   1HG1  ILE  34          1HG1      ILE  34  -3.324   1.665  -7.613
  159   2HG1  ILE  34          2HG1      ILE  34  -3.475   0.685  -6.158
  160   1HG2  ILE  34          1HG2      ILE  34  -3.634   4.079  -7.501
  161   2HG2  ILE  34          2HG2      ILE  34  -2.897   4.845  -6.094
  162   3HG2  ILE  34          3HG2      ILE  34  -1.969   3.696  -7.062
  163   1HD1  ILE  34          1HD1      ILE  34  -5.761   2.422  -6.904
  164   2HD1  ILE  34          2HD1      ILE  34  -5.465   0.974  -7.864
  165   3HD1  ILE  34          3HD1      ILE  34  -5.746   0.840  -6.129
  166    H    GLY  35           H        GLY  35  -3.591   3.121  -2.651
  167   1HA   GLY  35          1HA       GLY  35  -3.754   0.370  -1.622
  168   2HA   GLY  35          2HA       GLY  35  -3.845   1.830  -0.648
  169    H    ASN  36           H        ASN  36  -5.704   0.623   0.223
  170    HA   ASN  36           HA       ASN  36  -8.089   0.625  -1.461
  171   1HB   ASN  36          1HB       ASN  36  -9.155  -0.629   0.348
  172   2HB   ASN  36          2HB       ASN  36  -7.629  -1.386  -0.095
  173   1HD2  ASN  36          1HD2      ASN  36  -8.851  -1.930   2.299
  174   2HD2  ASN  36          2HD2      ASN  36  -7.909  -1.269   3.591
  175    H    LYS  37           H        LYS  37 -10.130   1.175   0.138
  176    HA   LYS  37           HA       LYS  37  -9.533   3.829   1.284
  177   1HB   LYS  37          1HB       LYS  37 -12.025   2.891  -0.152
  178   2HB   LYS  37          2HB       LYS  37 -11.886   4.429   0.691
  179   1HG   LYS  37          1HG       LYS  37 -10.618   5.363  -0.930
  180   2HG   LYS  37          2HG       LYS  37  -9.825   3.840  -1.339
  181   1HD   LYS  37          1HD       LYS  37 -12.711   4.403  -1.991
  182   2HD   LYS  37          2HD       LYS  37 -11.389   4.797  -3.092
  183   1HE   LYS  37          1HE       LYS  37 -11.055   2.120  -2.183
  184   2HE   LYS  37          2HE       LYS  37 -12.717   2.318  -2.732
  185   1HZ   LYS  37          1HZ       LYS  37 -10.283   2.240  -4.253
  186   2HZ   LYS  37          2HZ       LYS  37 -11.275   3.548  -4.669
  187   3HZ   LYS  37          3HZ       LYS  37 -11.882   1.967  -4.750
  188    H    GLU  38           H        GLU  38  -9.343   1.415   2.732
  189    HA   GLU  38           HA       GLU  38 -11.513   1.786   4.665
  190   1HB   GLU  38          1HB       GLU  38 -10.701  -0.773   3.331
  191   2HB   GLU  38          2HB       GLU  38 -11.320  -0.809   4.976
  192   1HG   GLU  38          1HG       GLU  38 -13.336   0.438   4.125
  193   2HG   GLU  38          2HG       GLU  38 -12.729   0.149   2.496
  194    H    GLY  39           H        GLY  39 -10.958   1.469   6.790
  195   1HA   GLY  39          1HA       GLY  39  -8.380   0.375   7.524
  196   2HA   GLY  39          2HA       GLY  39  -8.551   2.106   7.799
  197    H    LYS  40           H        LYS  40  -8.561   2.104  10.022
  198    HA   LYS  40           HA       LYS  40 -10.995   1.566  11.312
  199   1HB   LYS  40          1HB       LYS  40  -9.399  -0.710  11.099
  200   2HB   LYS  40          2HB       LYS  40  -9.145  -0.140  12.744
  201   1HG   LYS  40          1HG       LYS  40 -11.322  -0.498  13.358
  202   2HG   LYS  40          2HG       LYS  40 -11.929  -0.309  11.712
  203   1HD   LYS  40          1HD       LYS  40 -10.232  -2.523  11.629
  204   2HD   LYS  40          2HD       LYS  40 -11.162  -2.699  13.119
  205   1HE   LYS  40          1HE       LYS  40 -13.231  -2.285  11.765
  206   2HE   LYS  40          2HE       LYS  40 -12.224  -2.365  10.318
  207   1HZ   LYS  40          1HZ       LYS  40 -11.835  -4.591  12.086
  208   2HZ   LYS  40          2HZ       LYS  40 -12.161  -4.576  10.423
  209   3HZ   LYS  40          3HZ       LYS  40 -13.434  -4.471  11.535
  210    H    THR  41           H        THR  41  -9.963   1.103  13.923
  211    HA   THR  41           HA       THR  41  -9.797   3.740  14.743
  212    HB   THR  41           HB       THR  41  -8.702   1.997  16.741
  213    HG1  THR  41           HG1      THR  41  -9.995   0.266  16.585
  214   1HG2  THR  41          1HG2      THR  41 -11.092   3.683  16.284
  215   2HG2  THR  41          2HG2      THR  41  -9.994   3.621  17.665
  216   3HG2  THR  41          3HG2      THR  41 -11.255   2.401  17.484
  217    H    ARG  42           H        ARG  42  -7.175   1.373  15.409
  218    HA   ARG  42           HA       ARG  42  -5.329   3.662  15.239
  219   1HB   ARG  42          1HB       ARG  42  -6.033   2.431  17.571
  220   2HB   ARG  42          2HB       ARG  42  -4.578   1.547  17.132
  221   1HG   ARG  42          1HG       ARG  42  -4.457   4.500  16.969
  222   2HG   ARG  42          2HG       ARG  42  -4.528   3.780  18.577
  223   1HD   ARG  42          1HD       ARG  42  -2.450   3.417  16.442
  224   2HD   ARG  42          2HD       ARG  42  -2.239   3.969  18.101
  225    HE   ARG  42           HE       ARG  42  -2.639   1.194  17.218
  226   1HH1  ARG  42          1HH1      ARG  42  -1.982   3.490  19.774
  227   2HH1  ARG  42          2HH1      ARG  42  -1.436   2.286  20.898
  228   1HH2  ARG  42          1HH2      ARG  42  -1.935  -0.397  18.679
  229   2HH2  ARG  42          2HH2      ARG  42  -1.422   0.058  20.272
  230    H    GLY  43           H        GLY  43  -3.188   3.247  14.700
  231   1HA   GLY  43          1HA       GLY  43  -1.722   1.089  14.248
  232   2HA   GLY  43          2HA       GLY  43  -2.851   0.991  12.897
  233    H    GLY  44           H        GLY  44  -1.271   1.387  11.312
  234   1HA   GLY  44          1HA       GLY  44   0.240   3.823  11.296
  235   2HA   GLY  44          2HA       GLY  44  -0.041   2.767   9.915
  236    H    GLU  45           H        GLU  45  -1.524   3.324   8.429
  237    HA   GLU  45           HA       GLU  45  -3.835   4.868   8.944
  238   1HB   GLU  45          1HB       GLU  45  -1.432   6.339   8.331
  239   2HB   GLU  45          2HB       GLU  45  -2.598   6.529   7.024
  240   1HG   GLU  45          1HG       GLU  45  -4.081   7.658   8.319
  241   2HG   GLU  45          2HG       GLU  45  -3.582   6.844   9.800
  242    H    LEU  46           H        LEU  46  -5.290   4.128   7.546
  243    HA   LEU  46           HA       LEU  46  -6.251   3.095   5.749
  244   1HB   LEU  46          1HB       LEU  46  -4.597   4.769   4.550
  245   2HB   LEU  46          2HB       LEU  46  -3.742   3.298   4.145
  246    HG   LEU  46           HG       LEU  46  -5.776   2.450   3.020
  247   1HD1  LEU  46          1HD1      LEU  46  -7.211   4.099   4.491
  248   2HD1  LEU  46          2HD1      LEU  46  -6.954   5.175   3.117
  249   3HD1  LEU  46          3HD1      LEU  46  -7.737   3.615   2.878
  250   1HD2  LEU  46          1HD2      LEU  46  -4.809   3.323   1.223
  251   2HD2  LEU  46          2HD2      LEU  46  -5.632   4.853   1.531
  252   3HD2  LEU  46          3HD2      LEU  46  -4.038   4.555   2.226
  253    H    TYR  47           H        TYR  47  -6.411   0.832   5.134
  254    HA   TYR  47           HA       TYR  47  -4.606  -0.596   6.904
  255   1HB   TYR  47          1HB       TYR  47  -7.055  -0.934   7.141
  256   2HB   TYR  47          2HB       TYR  47  -7.059  -1.728   5.566
  257    HD1  TYR  47           HD1      TYR  47  -7.191  -4.022   5.715
  258    HD2  TYR  47           HD2      TYR  47  -4.919  -1.938   8.642
  259    HE1  TYR  47           HE1      TYR  47  -6.571  -6.162   6.750
  260    HE2  TYR  47           HE2      TYR  47  -4.292  -4.075   9.693
  261    HH   TYR  47           HH       TYR  47  -5.093  -7.151   8.205
  262    H    ALA  48           H        ALA  48  -2.780  -0.955   5.967
  263    HA   ALA  48           HA       ALA  48  -2.690  -3.263   4.242
  264   1HB   ALA  48          1HB       ALA  48  -2.621  -1.091   2.810
  265   2HB   ALA  48          2HB       ALA  48  -0.975  -0.945   3.432
  266   3HB   ALA  48          3HB       ALA  48  -1.443  -2.368   2.500
  267    H    VAL  49           H        VAL  49  -1.451  -4.559   5.462
  268    HA   VAL  49           HA       VAL  49   0.468  -3.396   7.306
  269    HB   VAL  49           HB       VAL  49  -0.081  -6.326   6.868
  270   1HG1  VAL  49          1HG1      VAL  49   0.530  -5.757   9.541
  271   2HG1  VAL  49          2HG1      VAL  49   1.551  -6.573   8.358
  272   3HG1  VAL  49          3HG1      VAL  49   1.677  -4.827   8.575
  273   1HG2  VAL  49          1HG2      VAL  49  -1.317  -5.184   9.213
  274   2HG2  VAL  49          2HG2      VAL  49  -1.930  -4.448   7.731
  275   3HG2  VAL  49          3HG2      VAL  49  -2.018  -6.195   7.949
  276    H    LEU  50           H        LEU  50   2.485  -3.017   6.722
  277    HA   LEU  50           HA       LEU  50   3.591  -4.461   4.417
  278   1HB   LEU  50          1HB       LEU  50   3.619  -1.839   4.876
  279   2HB   LEU  50          2HB       LEU  50   5.067  -2.256   5.769
  280    HG   LEU  50           HG       LEU  50   4.866  -1.698   3.043
  281   1HD1  LEU  50          1HD1      LEU  50   6.813  -1.869   4.958
  282   2HD1  LEU  50          2HD1      LEU  50   7.281  -3.130   3.819
  283   3HD1  LEU  50          3HD1      LEU  50   7.070  -1.471   3.257
  284   1HD2  LEU  50          1HD2      LEU  50   4.076  -4.148   2.924
  285   2HD2  LEU  50          2HD2      LEU  50   5.342  -3.608   1.824
  286   3HD2  LEU  50          3HD2      LEU  50   5.762  -4.544   3.257
  287    H    HIS  51           H        HIS  51   4.874  -6.135   4.761
  288    HA   HIS  51           HA       HIS  51   6.607  -6.130   7.156
  289   1HB   HIS  51          1HB       HIS  51   6.005  -8.602   5.541
  290   2HB   HIS  51          2HB       HIS  51   6.628  -8.490   7.180
  291    HD1  HIS  51           HD1      HIS  51   4.885  -8.012   9.081
  292    HD2  HIS  51           HD2      HIS  51   3.258  -8.630   5.303
  293    HE1  HIS  51           HE1      HIS  51   2.432  -8.455   9.453
  294    HE2  HIS  51           HE2      HIS  51   1.439  -8.594   7.132
  295    H    SER  52           H        SER  52   8.793  -6.842   6.836
  296    HA   SER  52           HA       SER  52   9.683  -6.667   4.029
  297   1HB   SER  52          1HB       SER  52  11.846  -6.103   5.796
  298   2HB   SER  52          2HB       SER  52  11.057  -5.013   4.652
  299    HG   SER  52           HG       SER  52  10.182  -5.546   7.307
  300    H    THR  53           H        THR  53   9.783  -8.797   3.526
  301    HA   THR  53           HA       THR  53  10.937 -10.719   5.360
  302    HB   THR  53           HB       THR  53  10.488 -11.997   2.932
  303    HG1  THR  53           HG1      THR  53   8.076 -10.801   3.094
  304   1HG2  THR  53          1HG2      THR  53   8.100 -12.038   4.511
  305   2HG2  THR  53          2HG2      THR  53   9.500 -12.030   5.584
  306   3HG2  THR  53          3HG2      THR  53   9.341 -13.281   4.352
  307    H    ASN  54           H        ASN  54  13.011  -9.199   5.004
  308    HA   ASN  54           HA       ASN  54  14.774 -10.697   3.271
  309   1HB   ASN  54          1HB       ASN  54  15.450  -8.952   1.830
  310   2HB   ASN  54          2HB       ASN  54  13.693  -8.876   1.841
  311   1HD2  ASN  54          1HD2      ASN  54  12.668  -7.139   2.821
  312   2HD2  ASN  54          2HD2      ASN  54  13.518  -5.693   3.252
  313    H    VAL  55           H        VAL  55  17.001  -9.348   3.255
  314    HA   VAL  55           HA       VAL  55  18.160  -9.637   5.742
  315    HB   VAL  55           HB       VAL  55  19.824  -7.798   4.673
  316   1HG1  VAL  55          1HG1      VAL  55  21.167  -9.558   4.100
  317   2HG1  VAL  55          2HG1      VAL  55  20.005 -10.373   5.146
  318   3HG1  VAL  55          3HG1      VAL  55  19.844 -10.488   3.393
  319   1HG2  VAL  55          1HG2      VAL  55  19.473  -8.793   2.091
  320   2HG2  VAL  55          2HG2      VAL  55  17.863  -8.304   2.617
  321   3HG2  VAL  55          3HG2      VAL  55  19.190  -7.143   2.649
  322    H    ASN  56           H        ASN  56  17.825  -6.495   4.160
  323    HA   ASN  56           HA       ASN  56  18.015  -5.220   6.786
  324   1HB   ASN  56          1HB       ASN  56  19.653  -4.691   4.928
  325   2HB   ASN  56          2HB       ASN  56  18.314  -3.953   4.057
  326   1HD2  ASN  56          1HD2      ASN  56  18.568  -1.881   4.112
  327   2HD2  ASN  56          2HD2      ASN  56  18.978  -0.930   5.498
  328    H    ALA  57           H        ALA  57  15.940  -5.212   7.521
  329    HA   ALA  57           HA       ALA  57  13.740  -4.411   5.858
  330   1HB   ALA  57          1HB       ALA  57  13.660  -6.017   7.841
  331   2HB   ALA  57          2HB       ALA  57  13.671  -4.573   8.853
  332   3HB   ALA  57          3HB       ALA  57  12.362  -4.831   7.698
  333    H    ASP  58           H        ASP  58  15.383  -2.439   5.493
  334    HA   ASP  58           HA       ASP  58  14.527  -0.265   7.280
  335   1HB   ASP  58          1HB       ASP  58  17.051  -0.785   6.693
  336   2HB   ASP  58          2HB       ASP  58  16.667   0.101   5.220
  337    H    MET  59           H        MET  59  12.531  -0.927   5.870
  338    HA   MET  59           HA       MET  59  12.503   0.735   3.448
  339   1HB   MET  59          1HB       MET  59  10.902  -1.654   4.324
  340   2HB   MET  59          2HB       MET  59  10.242  -0.539   3.138
  341   1HG   MET  59          1HG       MET  59  11.302  -1.687   1.577
  342   2HG   MET  59          2HG       MET  59  12.823  -1.109   2.249
  343   1HE   MET  59          1HE       MET  59  10.741  -5.055   2.556
  344   2HE   MET  59          2HE       MET  59  10.381  -3.606   1.615
  345   3HE   MET  59          3HE       MET  59  11.660  -4.703   1.095
  346    H    THR  60           H        THR  60  11.454   2.626   3.576
  347    HA   THR  60           HA       THR  60   9.795   3.064   5.946
  348    HB   THR  60           HB       THR  60  10.350   5.340   4.141
  349    HG1  THR  60           HG1      THR  60  12.382   3.974   5.623
  350   1HG2  THR  60          1HG2      THR  60   9.233   5.282   6.479
  351   2HG2  THR  60          2HG2      THR  60  10.412   6.549   6.133
  352   3HG2  THR  60          3HG2      THR  60  10.885   5.140   7.082
  353    H    LEU  61           H        LEU  61   7.657   3.096   5.802
  354    HA   LEU  61           HA       LEU  61   6.459   3.101   3.137
  355   1HB   LEU  61          1HB       LEU  61   5.883   1.442   5.044
  356   2HB   LEU  61          2HB       LEU  61   4.963   2.769   5.722
  357    HG   LEU  61           HG       LEU  61   4.481   1.782   2.916
  358   1HD1  LEU  61          1HD1      LEU  61   3.387  -0.013   3.619
  359   2HD1  LEU  61          2HD1      LEU  61   4.092   0.257   5.213
  360   3HD1  LEU  61          3HD1      LEU  61   2.505   0.924   4.826
  361   1HD2  LEU  61          1HD2      LEU  61   3.048   3.543   4.861
  362   2HD2  LEU  61          2HD2      LEU  61   3.433   3.829   3.165
  363   3HD2  LEU  61          3HD2      LEU  61   2.157   2.692   3.600
  364    H    ILE  62           H        ILE  62   5.466   4.833   2.321
  365    HA   ILE  62           HA       ILE  62   4.679   6.935   4.208
  366    HB   ILE  62           HB       ILE  62   6.254   7.140   1.738
  367   1HG1  ILE  62          1HG1      ILE  62   6.318   9.484   3.275
  368   2HG1  ILE  62          2HG1      ILE  62   6.139   8.167   4.428
  369   1HG2  ILE  62          1HG2      ILE  62   4.587   8.243   0.637
  370   2HG2  ILE  62          2HG2      ILE  62   3.798   8.764   2.126
  371   3HG2  ILE  62          3HG2      ILE  62   5.253   9.588   1.563
  372   1HD1  ILE  62          1HD1      ILE  62   8.419   8.905   2.737
  373   2HD1  ILE  62          2HD1      ILE  62   8.379   8.095   4.305
  374   3HD1  ILE  62          3HD1      ILE  62   8.078   7.177   2.831
  375    H    LEU  63           H        LEU  63   2.648   7.296   4.322
  376    HA   LEU  63           HA       LEU  63   0.807   6.446   2.254
  377   1HB   LEU  63          1HB       LEU  63   0.616   6.564   4.938
  378   2HB   LEU  63          2HB       LEU  63  -0.103   8.109   4.530
  379    HG   LEU  63           HG       LEU  63  -1.147   5.376   4.190
  380   1HD1  LEU  63          1HD1      LEU  63  -1.978   7.964   5.186
  381   2HD1  LEU  63          2HD1      LEU  63  -3.209   7.202   4.179
  382   3HD1  LEU  63          3HD1      LEU  63  -2.569   6.351   5.586
  383   1HD2  LEU  63          1HD2      LEU  63  -1.070   7.267   1.970
  384   2HD2  LEU  63          2HD2      LEU  63  -1.420   5.537   1.981
  385   3HD2  LEU  63          3HD2      LEU  63  -2.693   6.693   2.379
  386    H    LEU  64           H        LEU  64   0.532   7.711   0.542
  387    HA   LEU  64           HA       LEU  64   0.547  10.630   0.922
  388   1HB   LEU  64          1HB       LEU  64   2.644   9.399  -0.157
  389   2HB   LEU  64          2HB       LEU  64   1.640   9.460  -1.590
  390    HG   LEU  64           HG       LEU  64   3.394  11.356  -1.011
  391   1HD1  LEU  64          1HD1      LEU  64   2.075  11.256  -3.029
  392   2HD1  LEU  64          2HD1      LEU  64   0.670  11.878  -2.161
  393   3HD1  LEU  64          3HD1      LEU  64   2.093  12.896  -2.377
  394   1HD2  LEU  64          1HD2      LEU  64   1.746  11.696   1.109
  395   2HD2  LEU  64          2HD2      LEU  64   2.799  12.938   0.433
  396   3HD2  LEU  64          3HD2      LEU  64   1.100  12.873  -0.035
  397    H    ARG  65           H        ARG  65  -0.605  11.808  -0.737
  398    HA   ARG  65           HA       ARG  65  -2.297  10.188  -2.490
  399   1HB   ARG  65          1HB       ARG  65  -4.115  11.982  -2.059
  400   2HB   ARG  65          2HB       ARG  65  -3.901  10.706  -0.871
  401   1HG   ARG  65          1HG       ARG  65  -3.530  12.202   0.719
  402   2HG   ARG  65          2HG       ARG  65  -2.202  12.908  -0.203
  403   1HD   ARG  65          1HD       ARG  65  -4.803  13.645  -1.271
  404   2HD   ARG  65          2HD       ARG  65  -4.611  14.130   0.413
  405    HE   ARG  65           HE       ARG  65  -2.287  14.912  -0.824
  406   1HH1  ARG  65          1HH1      ARG  65  -5.707  15.594  -1.257
  407   2HH1  ARG  65          2HH1      ARG  65  -5.430  17.168  -1.934
  408   1HH2  ARG  65          1HH2      ARG  65  -1.931  16.965  -1.697
  409   2HH2  ARG  65          2HH2      ARG  65  -3.274  17.953  -2.173
  410    H    ASN  66           H        ASN  66  -1.414  10.693  -4.384
  411    HA   ASN  66           HA       ASN  66  -1.573  13.505  -5.198
  412   1HB   ASN  66          1HB       ASN  66   0.736  13.397  -5.236
  413   2HB   ASN  66          2HB       ASN  66   0.756  11.656  -5.500
  414   1HD2  ASN  66          1HD2      ASN  66   1.157  10.945  -7.492
  415   2HD2  ASN  66          2HD2      ASN  66   1.153  11.907  -8.932
  416    H    VAL  67           H        VAL  67  -2.477  13.807  -7.182
  417    HA   VAL  67           HA       VAL  67  -2.631  11.757  -9.131
  418    HB   VAL  67           HB       VAL  67  -4.288  11.008  -7.379
  419   1HG1  VAL  67          1HG1      VAL  67  -5.969  12.300  -6.705
  420   2HG1  VAL  67          2HG1      VAL  67  -5.205  13.628  -7.577
  421   3HG1  VAL  67          3HG1      VAL  67  -6.450  12.658  -8.363
  422   1HG2  VAL  67          1HG2      VAL  67  -4.451  10.998 -10.212
  423   2HG2  VAL  67          2HG2      VAL  67  -5.059   9.801  -9.068
  424   3HG2  VAL  67          3HG2      VAL  67  -6.088  11.141  -9.574
  425    H    GLY  68           H        GLY  68  -2.396  14.789  -8.305
  426   1HA   GLY  68          1HA       GLY  68  -4.020  15.999 -10.379
  427   2HA   GLY  68          2HA       GLY  68  -2.872  16.822  -9.330
  428    H    GLY  69           H        GLY  69  -0.752  14.879  -9.921
  429   1HA   GLY  69          1HA       GLY  69   0.369  14.109 -11.958
  430   2HA   GLY  69          2HA       GLY  69  -0.229  15.560 -12.746
  431    H    ASN  70           H        ASN  70   1.125  15.556  -9.506
  432    HA   ASN  70           HA       ASN  70   3.370  17.139 -10.566
  433   1HB   ASN  70          1HB       ASN  70   3.413  18.392  -8.571
  434   2HB   ASN  70          2HB       ASN  70   1.702  18.215  -8.941
  435   1HD2  ASN  70          1HD2      ASN  70   0.412  16.956  -7.619
  436   2HD2  ASN  70          2HD2      ASN  70   0.938  16.378  -6.072
  437    H    GLY  71           H        GLY  71   2.695  14.125  -9.536
  438   1HA   GLY  71          1HA       GLY  71   4.330  12.441  -9.216
  439   2HA   GLY  71          2HA       GLY  71   5.453  13.673  -8.657
  440    H    TRP  72           H        TRP  72   5.168  11.360  -7.199
  441    HA   TRP  72           HA       TRP  72   3.196  11.710  -5.136
  442   1HB   TRP  72          1HB       TRP  72   5.570   9.842  -5.118
  443   2HB   TRP  72          2HB       TRP  72   4.128   9.728  -4.119
  444    HD1  TRP  72           HD1      TRP  72   5.586   8.284  -7.135
  445    HE1  TRP  72           HE1      TRP  72   3.821   7.031  -8.524
  446    HE3  TRP  72           HE3      TRP  72   1.332  10.103  -4.920
  447    HZ2  TRP  72           HZ2      TRP  72   1.015   6.818  -8.651
  448    HZ3  TRP  72           HZ3      TRP  72  -0.838   9.305  -5.731
  449    HH2  TRP  72           HH2      TRP  72  -0.999   7.700  -7.554
  450    H    GLY  73           H        GLY  73   4.586  11.051  -2.838
  451   1HA   GLY  73          1HA       GLY  73   6.801  12.697  -2.275
  452   2HA   GLY  73          2HA       GLY  73   5.318  13.567  -1.895
  453    H    GLU  74           H        GLU  74   6.791  13.207   0.247
  454    HA   GLU  74           HA       GLU  74   5.657  10.842   1.572
  455   1HB   GLU  74          1HB       GLU  74   7.247  11.359   3.418
  456   2HB   GLU  74          2HB       GLU  74   8.025  10.983   1.889
  457   1HG   GLU  74          1HG       GLU  74   7.775  13.713   1.795
  458   2HG   GLU  74          2HG       GLU  74   8.128  13.396   3.494
  459    H    ILE  75           H        ILE  75   4.011  11.042   2.987
  460    HA   ILE  75           HA       ILE  75   3.744  13.611   4.379
  461    HB   ILE  75           HB       ILE  75   1.613  12.161   2.897
  462   1HG1  ILE  75          1HG1      ILE  75   2.112  15.047   3.663
  463   2HG1  ILE  75          2HG1      ILE  75   2.474  14.300   2.111
  464   1HG2  ILE  75          1HG2      ILE  75   1.269  12.441   5.636
  465   2HG2  ILE  75          2HG2      ILE  75   0.444  13.842   4.955
  466   3HG2  ILE  75          3HG2      ILE  75  -0.008  12.219   4.439
  467   1HD1  ILE  75          1HD1      ILE  75   0.511  15.136   1.475
  468   2HD1  ILE  75          2HD1      ILE  75  -0.194  13.797   2.381
  469   3HD1  ILE  75          3HD1      ILE  75  -0.029  15.381   3.136
  470    H    LYS  76           H        LYS  76   2.381  10.276   4.540
  471    HA   LYS  76           HA       LYS  76   2.887  10.383   7.433
  472   1HB   LYS  76          1HB       LYS  76   0.623   9.750   6.828
  473   2HB   LYS  76          2HB       LYS  76   1.226   8.455   5.805
  474   1HG   LYS  76          1HG       LYS  76   0.474   7.429   7.782
  475   2HG   LYS  76          2HG       LYS  76   2.235   7.445   7.885
  476   1HD   LYS  76          1HD       LYS  76   1.952   9.623   9.204
  477   2HD   LYS  76          2HD       LYS  76   0.252   9.170   9.343
  478   1HE   LYS  76          1HE       LYS  76   1.800   6.893  10.002
  479   2HE   LYS  76          2HE       LYS  76   2.480   8.263  10.878
  480   1HZ   LYS  76          1HZ       LYS  76   0.575   8.562  12.077
  481   2HZ   LYS  76          2HZ       LYS  76   0.514   6.879  11.870
  482   3HZ   LYS  76          3HZ       LYS  76  -0.435   7.895  10.891
  483    H    ARG  77           H        ARG  77   4.890   9.795   7.905
  484    HA   ARG  77           HA       ARG  77   6.159   7.586   6.457
  485   1HB   ARG  77          1HB       ARG  77   7.168   9.959   7.241
  486   2HB   ARG  77          2HB       ARG  77   7.552   9.010   8.667
  487   1HG   ARG  77          1HG       ARG  77   8.744   7.399   7.224
  488   2HG   ARG  77          2HG       ARG  77   8.422   8.449   5.842
  489   1HD   ARG  77          1HD       ARG  77  10.438   9.312   6.366
  490   2HD   ARG  77          2HD       ARG  77   9.509  10.231   7.549
  491    HE   ARG  77           HE       ARG  77  10.201   8.650   9.232
  492   1HH1  ARG  77          1HH1      ARG  77  11.941   8.522   6.190
  493   2HH1  ARG  77          2HH1      ARG  77  13.280   7.629   6.850
  494   1HH2  ARG  77          1HH2      ARG  77  11.976   7.513  10.111
  495   2HH2  ARG  77          2HH2      ARG  77  13.311   7.071   9.085
  496    H    ASN  78           H        ASN  78   5.962   5.563   7.273
  497    HA   ASN  78           HA       ASN  78   5.829   5.303  10.197
  498   1HB   ASN  78          1HB       ASN  78   4.026   3.766  10.145
  499   2HB   ASN  78          2HB       ASN  78   3.543   5.130   9.147
  500   1HD2  ASN  78          1HD2      ASN  78   4.374   1.774   9.210
  501   2HD2  ASN  78          2HD2      ASN  78   3.914   1.421   7.585
  502    H    ASP  79           H        ASP  79   5.889   2.842  10.772
  503    HA   ASP  79           HA       ASP  79   8.575   2.116   9.892
  504   1HB   ASP  79          1HB       ASP  79   8.015   2.497  12.302
  505   2HB   ASP  79          2HB       ASP  79   6.947   1.102  12.236
  506    H    ILE  80           H        ILE  80   9.108  -0.248   9.838
  507    HA   ILE  80           HA       ILE  80   7.309  -1.560   8.004
  508    HB   ILE  80           HB       ILE  80   9.129  -3.438   8.278
  509   1HG1  ILE  80          1HG1      ILE  80  11.255  -1.641   8.660
  510   2HG1  ILE  80          2HG1      ILE  80  10.133  -1.330   9.982
  511   1HG2  ILE  80          1HG2      ILE  80  10.621  -1.868   6.739
  512   2HG2  ILE  80          2HG2      ILE  80   9.089  -2.553   6.196
  513   3HG2  ILE  80          3HG2      ILE  80   9.155  -0.889   6.778
  514   1HD1  ILE  80          1HD1      ILE  80  10.418  -4.141   9.671
  515   2HD1  ILE  80          2HD1      ILE  80  12.020  -3.404   9.738
  516   3HD1  ILE  80          3HD1      ILE  80  10.863  -3.124  11.041
  517    H    ASP  81           H        ASP  81   6.801  -3.873   8.250
  518    HA   ASP  81           HA       ASP  81   5.559  -5.477   9.260
  519   1HB   ASP  81          1HB       ASP  81   7.938  -5.567  10.486
  520   2HB   ASP  81          2HB       ASP  81   6.950  -5.118  11.873
  521    H    LYS  82           H        LYS  82   4.501  -2.912   9.257
  522    HA   LYS  82           HA       LYS  82   3.084  -2.834  11.841
  523   1HB   LYS  82          1HB       LYS  82   4.586  -0.787  10.536
  524   2HB   LYS  82          2HB       LYS  82   2.897  -0.300  10.583
  525   1HG   LYS  82          1HG       LYS  82   3.420   0.483  12.608
  526   2HG   LYS  82          2HG       LYS  82   3.241  -1.196  13.114
  527   1HD   LYS  82          1HD       LYS  82   5.888  -0.460  12.047
  528   2HD   LYS  82          2HD       LYS  82   5.445   0.297  13.578
  529   1HE   LYS  82          1HE       LYS  82   5.257  -1.749  14.678
  530   2HE   LYS  82          2HE       LYS  82   5.105  -2.649  13.171
  531   1HZ   LYS  82          1HZ       LYS  82   7.309  -2.830  12.970
  532   2HZ   LYS  82          2HZ       LYS  82   7.372  -2.420  14.614
  533   3HZ   LYS  82          3HZ       LYS  82   7.602  -1.226  13.431
  534    HA   PRO  83           HA       PRO  83  -0.620  -3.184   9.325
  535   1HB   PRO  83          1HB       PRO  83  -2.057  -2.945  11.842
  536   2HB   PRO  83          2HB       PRO  83  -1.945  -4.338  10.763
  537   1HG   PRO  83          1HG       PRO  83  -0.806  -4.271  13.227
  538   2HG   PRO  83          2HG       PRO  83  -0.157  -5.218  11.876
  539   1HD   PRO  83          1HD       PRO  83   0.738  -2.555  12.927
  540   2HD   PRO  83          2HD       PRO  83   1.718  -3.934  12.383
  541    H    LEU  84           H        LEU  84  -0.862  -1.259   8.312
  542    HA   LEU  84           HA       LEU  84  -1.200   1.184   9.780
  543   1HB   LEU  84          1HB       LEU  84  -1.162   0.428   6.887
  544   2HB   LEU  84          2HB       LEU  84  -1.739   2.013   7.370
  545    HG   LEU  84           HG       LEU  84   0.586   2.003   8.698
  546   1HD1  LEU  84          1HD1      LEU  84   2.169   0.617   7.940
  547   2HD1  LEU  84          2HD1      LEU  84   0.819  -0.348   7.339
  548   3HD1  LEU  84          3HD1      LEU  84   1.644   0.781   6.264
  549   1HD2  LEU  84          1HD2      LEU  84   1.347   3.510   7.119
  550   2HD2  LEU  84          2HD2      LEU  84   0.662   2.603   5.771
  551   3HD2  LEU  84          3HD2      LEU  84  -0.394   3.526   6.840
  552    H    LYS  85           H        LYS  85  -3.072   2.050  10.462
  553    HA   LYS  85           HA       LYS  85  -5.556   1.269   9.118
  554   1HB   LYS  85          1HB       LYS  85  -4.857   0.849  11.968
  555   2HB   LYS  85          2HB       LYS  85  -6.481   1.436  11.634
  556   1HG   LYS  85          1HG       LYS  85  -6.932  -0.472  10.234
  557   2HG   LYS  85          2HG       LYS  85  -5.266  -1.031  10.405
  558   1HD   LYS  85          1HD       LYS  85  -6.716  -0.569  12.924
  559   2HD   LYS  85          2HD       LYS  85  -7.321  -1.897  11.931
  560   1HE   LYS  85          1HE       LYS  85  -5.529  -3.177  12.352
  561   2HE   LYS  85          2HE       LYS  85  -4.408  -1.828  12.174
  562   1HZ   LYS  85          1HZ       LYS  85  -5.060  -1.102  14.422
  563   2HZ   LYS  85          2HZ       LYS  85  -4.335  -2.636  14.413
  564   3HZ   LYS  85          3HZ       LYS  85  -6.013  -2.497  14.582
  565    H    TYR  86           H        TYR  86  -6.882   2.956   8.711
  566    HA   TYR  86           HA       TYR  86  -6.753   5.295  10.462
  567   1HB   TYR  86          1HB       TYR  86  -5.408   5.573   8.244
  568   2HB   TYR  86          2HB       TYR  86  -6.990   5.737   7.494
  569    HD1  TYR  86           HD1      TYR  86  -6.215   8.022   6.804
  570    HD2  TYR  86           HD2      TYR  86  -6.702   6.946  10.893
  571    HE1  TYR  86           HE1      TYR  86  -6.210  10.399   7.426
  572    HE2  TYR  86           HE2      TYR  86  -6.709   9.322  11.522
  573    HH   TYR  86           HH       TYR  86  -5.586  11.560  10.226
  574    H    GLU  87           H        GLU  87  -8.693   6.253  10.837
  575    HA   GLU  87           HA       GLU  87 -11.016   4.708  10.159
  576   1HB   GLU  87          1HB       GLU  87 -10.262   6.550  12.196
  577   2HB   GLU  87          2HB       GLU  87 -11.715   7.170  11.423
  578   1HG   GLU  87          1HG       GLU  87 -12.202   4.454  11.800
  579   2HG   GLU  87          2HG       GLU  87 -11.406   4.992  13.279
  580    H    ASP  88           H        ASP  88 -10.640   8.243  10.024
  581    HA   ASP  88           HA       ASP  88 -11.946   8.179   7.389
  582   1HB   ASP  88          1HB       ASP  88 -13.578   9.123   8.789
  583   2HB   ASP  88          2HB       ASP  88 -12.387  10.025   9.721
  584    H    TYR  89           H        TYR  89 -11.072   9.382   5.806
  585    HA   TYR  89           HA       TYR  89  -8.485  10.645   6.432
  586   1HB   TYR  89          1HB       TYR  89  -8.887   9.878   3.637
  587   2HB   TYR  89          2HB       TYR  89  -7.548   9.506   4.720
  588    HD1  TYR  89           HD1      TYR  89 -10.610   8.278   3.216
  589    HD2  TYR  89           HD2      TYR  89  -7.706   7.527   6.234
  590    HE1  TYR  89           HE1      TYR  89 -11.411   5.961   3.407
  591    HE2  TYR  89           HE2      TYR  89  -8.498   5.213   6.428
  592    HH   TYR  89           HH       TYR  89 -11.215   4.030   4.472
  593    H    TYR  90           H        TYR  90 -11.473  10.904   4.643
  594    HA   TYR  90           HA       TYR  90 -11.261  13.737   4.346
  595   1HB   TYR  90          1HB       TYR  90 -10.411  11.975   2.144
  596   2HB   TYR  90          2HB       TYR  90 -11.639  13.143   1.674
  597    HD1  TYR  90           HD1      TYR  90  -8.193  12.586   2.012
  598    HD2  TYR  90           HD2      TYR  90 -11.134  15.631   2.445
  599    HE1  TYR  90           HE1      TYR  90  -6.446  14.301   1.755
  600    HE2  TYR  90           HE2      TYR  90  -9.398  17.352   2.193
  601    HH   TYR  90           HH       TYR  90  -7.234  17.694   1.429
  602    H    THR  91           H        THR  91 -12.765  11.844   1.885
  603    HA   THR  91           HA       THR  91 -15.209  11.366   3.364
  604    HB   THR  91           HB       THR  91 -15.427  12.812   0.725
  605    HG1  THR  91           HG1      THR  91 -14.967  13.858   3.282
  606   1HG2  THR  91          1HG2      THR  91 -17.443  12.819   2.939
  607   2HG2  THR  91          2HG2      THR  91 -17.308  11.420   1.876
  608   3HG2  THR  91          3HG2      THR  91 -17.688  13.003   1.201
  609    H    SER  92           H        SER  92 -13.854  11.448   0.076
  610    HA   SER  92           HA       SER  92 -14.214   8.531  -0.058
  611   1HB   SER  92          1HB       SER  92 -14.416  10.102  -2.583
  612   2HB   SER  92          2HB       SER  92 -15.227   8.605  -2.120
  613    HG   SER  92           HG       SER  92 -15.951  11.254  -1.635
  614    H    GLY  93           H        GLY  93 -12.275   7.610  -0.223
  615   1HA   GLY  93          1HA       GLY  93  -9.902   9.068  -0.734
  616   2HA   GLY  93          2HA       GLY  93 -10.037   7.319  -0.646
  617    H    LEU  94           H        LEU  94  -9.931  10.086  -2.708
  618    HA   LEU  94           HA       LEU  94 -10.660   8.992  -5.159
  619   1HB   LEU  94          1HB       LEU  94  -9.224  11.326  -4.207
  620   2HB   LEU  94          2HB       LEU  94  -8.567  10.739  -5.722
  621    HG   LEU  94           HG       LEU  94 -11.454  10.849  -5.835
  622   1HD1  LEU  94          1HD1      LEU  94 -10.183  12.995  -4.414
  623   2HD1  LEU  94          2HD1      LEU  94 -10.855  13.581  -5.936
  624   3HD1  LEU  94          3HD1      LEU  94 -11.891  12.748  -4.777
  625   1HD2  LEU  94          1HD2      LEU  94 -10.850  12.366  -7.778
  626   2HD2  LEU  94          2HD2      LEU  94  -9.165  12.055  -7.364
  627   3HD2  LEU  94          3HD2      LEU  94 -10.218  10.721  -7.835
  628    H    SER  95           H        SER  95  -7.288   9.589  -4.185
  629    HA   SER  95           HA       SER  95  -6.551   6.905  -5.010
  630   1HB   SER  95          1HB       SER  95  -5.171   9.325  -6.200
  631   2HB   SER  95          2HB       SER  95  -4.828   7.629  -6.550
  632    HG   SER  95           HG       SER  95  -7.338   7.835  -7.040
  633    H    TRP  96           H        TRP  96  -5.377   6.130  -3.409
  634    HA   TRP  96           HA       TRP  96  -3.498   7.936  -2.034
  635   1HB   TRP  96          1HB       TRP  96  -5.044   5.567  -0.954
  636   2HB   TRP  96          2HB       TRP  96  -3.706   6.321  -0.096
  637    HD1  TRP  96           HD1      TRP  96  -7.346   6.947  -1.108
  638    HE1  TRP  96           HE1      TRP  96  -8.273   8.874   0.326
  639    HE3  TRP  96           HE3      TRP  96  -3.016   8.413   1.191
  640    HZ2  TRP  96           HZ2      TRP  96  -7.302  10.762   2.186
  641    HZ3  TRP  96           HZ3      TRP  96  -3.106  10.288   2.785
  642    HH2  TRP  96           HH2      TRP  96  -5.204  11.435   3.267
  643    H    ILE  97           H        ILE  97  -1.415   7.226  -1.785
  644    HA   ILE  97           HA       ILE  97  -0.790   4.756  -3.263
  645    HB   ILE  97           HB       ILE  97  -0.169   6.860  -4.442
  646   1HG1  ILE  97          1HG1      ILE  97   1.355   4.513  -4.034
  647   2HG1  ILE  97          2HG1      ILE  97   1.366   5.580  -5.432
  648   1HG2  ILE  97          1HG2      ILE  97   1.439   8.346  -3.659
  649   2HG2  ILE  97          2HG2      ILE  97   0.431   8.026  -2.247
  650   3HG2  ILE  97          3HG2      ILE  97   1.999   7.234  -2.411
  651   1HD1  ILE  97          1HD1      ILE  97   3.194   6.825  -4.561
  652   2HD1  ILE  97          2HD1      ILE  97   3.086   6.006  -3.003
  653   3HD1  ILE  97          3HD1      ILE  97   3.602   5.114  -4.434
  654    H    TRP  98           H        TRP  98   0.533   3.320  -2.371
  655    HA   TRP  98           HA       TRP  98   1.679   3.838   0.256
  656   1HB   TRP  98          1HB       TRP  98   1.560   1.370  -1.495
  657   2HB   TRP  98          2HB       TRP  98   2.406   1.420   0.048
  658    HD1  TRP  98           HD1      TRP  98  -0.527  -0.040  -1.107
  659    HE1  TRP  98           HE1      TRP  98  -2.415  -0.099   0.640
  660    HE3  TRP  98           HE3      TRP  98   1.216   3.544   2.105
  661    HZ2  TRP  98           HZ2      TRP  98  -3.072   1.206   3.074
  662    HZ3  TRP  98           HZ3      TRP  98  -0.101   4.066   4.102
  663    HH2  TRP  98           HH2      TRP  98  -2.197   2.921   4.567
  664    H    LYS  99           H        LYS  99   3.320   5.329  -0.222
  665    HA   LYS  99           HA       LYS  99   5.210   4.778  -2.327
  666   1HB   LYS  99          1HB       LYS  99   4.432   7.076  -1.158
  667   2HB   LYS  99          2HB       LYS  99   5.893   6.757  -0.231
  668   1HG   LYS  99          1HG       LYS  99   6.701   6.317  -2.820
  669   2HG   LYS  99          2HG       LYS  99   5.582   7.674  -2.971
  670   1HD   LYS  99          1HD       LYS  99   6.944   8.555  -0.880
  671   2HD   LYS  99          2HD       LYS  99   8.191   7.501  -1.552
  672   1HE   LYS  99          1HE       LYS  99   7.605   8.695  -3.788
  673   2HE   LYS  99          2HE       LYS  99   6.916   9.932  -2.739
  674   1HZ   LYS  99          1HZ       LYS  99   9.159   9.892  -1.575
  675   2HZ   LYS  99          2HZ       LYS  99   9.099  10.604  -3.111
  676   3HZ   LYS  99          3HZ       LYS  99   9.731   9.040  -2.928
  677    H    ILE 100           H        ILE 100   6.243   2.903  -1.933
  678    HA   ILE 100           HA       ILE 100   7.522   2.468   0.655
  679    HB   ILE 100           HB       ILE 100   7.655   0.654  -1.751
  680   1HG1  ILE 100          1HG1      ILE 100   5.662   0.467   0.518
  681   2HG1  ILE 100          2HG1      ILE 100   5.282   1.186  -1.045
  682   1HG2  ILE 100          1HG2      ILE 100   9.181   0.491   0.374
  683   2HG2  ILE 100          2HG2      ILE 100   7.749  -0.242   1.092
  684   3HG2  ILE 100          3HG2      ILE 100   8.483  -0.961  -0.341
  685   1HD1  ILE 100          1HD1      ILE 100   5.941  -1.670  -0.420
  686   2HD1  ILE 100          2HD1      ILE 100   4.473  -1.010  -1.140
  687   3HD1  ILE 100          3HD1      ILE 100   5.977  -1.027  -2.064
  688    H    LYS 101           H        LYS 101   9.263   3.729   0.856
  689    HA   LYS 101           HA       LYS 101  11.220   3.713  -1.325
  690   1HB   LYS 101          1HB       LYS 101  12.365   5.496   0.064
  691   2HB   LYS 101          2HB       LYS 101  10.813   5.935  -0.627
  692   1HG   LYS 101          1HG       LYS 101   9.726   5.657   1.494
  693   2HG   LYS 101          2HG       LYS 101  11.209   5.031   2.214
  694   1HD   LYS 101          1HD       LYS 101  10.698   7.823   1.204
  695   2HD   LYS 101          2HD       LYS 101  10.983   7.320   2.871
  696   1HE   LYS 101          1HE       LYS 101  13.168   7.584   2.591
  697   2HE   LYS 101          2HE       LYS 101  13.152   6.409   1.276
  698   1HZ   LYS 101          1HZ       LYS 101  14.040   8.585   0.610
  699   2HZ   LYS 101          2HZ       LYS 101  12.545   9.300   0.965
  700   3HZ   LYS 101          3HZ       LYS 101  12.664   8.154  -0.282
  701    H    ASN 102           H        ASN 102  12.772   2.302  -1.242
  702    HA   ASN 102           HA       ASN 102  13.276   0.911   1.278
  703   1HB   ASN 102          1HB       ASN 102  12.711  -0.515  -0.564
  704   2HB   ASN 102          2HB       ASN 102  13.918   0.252  -1.598
  705   1HD2  ASN 102          1HD2      ASN 102  15.046  -1.582  -2.048
  706   2HD2  ASN 102          2HD2      ASN 102  15.957  -2.458  -0.864
  707    H    ASN 103           H        ASN 103  15.025   1.293   2.441
  708    HA   ASN 103           HA       ASN 103  16.965   3.211   1.490
  709   1HB   ASN 103          1HB       ASN 103  16.510   1.823   4.125
  710   2HB   ASN 103          2HB       ASN 103  17.944   2.804   3.837
  711   1HD2  ASN 103          1HD2      ASN 103  15.482   3.064   5.587
  712   2HD2  ASN 103          2HD2      ASN 103  14.930   4.684   5.280
  713    H    SER 104           H        SER 104  16.708  -0.185   1.670
  714    HA   SER 104           HA       SER 104  19.503  -0.756   1.866
  715   1HB   SER 104          1HB       SER 104  17.500  -2.667   0.706
  716   2HB   SER 104          2HB       SER 104  18.894  -3.001   1.738
  717    HG   SER 104           HG       SER 104  16.348  -2.546   2.445
  718    H    SER 105           H        SER 105  20.987  -0.996   0.290
  719    HA   SER 105           HA       SER 105  20.363  -0.015  -2.326
  720   1HB   SER 105          1HB       SER 105  22.970  -1.242  -2.127
  721   2HB   SER 105          2HB       SER 105  22.551   0.462  -2.324
  722    HG   SER 105           HG       SER 105  23.628  -0.564  -0.233
  723    H    GLU 106           H        GLU 106  20.180  -3.051  -0.914
  724    HA   GLU 106           HA       GLU 106  20.606  -4.479  -3.438
  725   1HB   GLU 106          1HB       GLU 106  21.018  -5.123  -0.667
  726   2HB   GLU 106          2HB       GLU 106  19.897  -6.279  -1.372
  727   1HG   GLU 106          1HG       GLU 106  22.522  -5.596  -2.654
  728   2HG   GLU 106          2HG       GLU 106  22.356  -6.867  -1.444
  729    H    THR 107           H        THR 107  18.989  -6.220  -3.941
  730    HA   THR 107           HA       THR 107  16.384  -5.094  -4.085
  731    HB   THR 107           HB       THR 107  16.487  -7.969  -4.555
  732    HG1  THR 107           HG1      THR 107  18.327  -6.299  -5.971
  733   1HG2  THR 107          1HG2      THR 107  16.241  -6.277  -6.889
  734   2HG2  THR 107          2HG2      THR 107  15.199  -5.719  -5.580
  735   3HG2  THR 107          3HG2      THR 107  15.064  -7.376  -6.170
  736    H    SER 108           H        SER 108  14.819  -5.163  -2.604
  737    HA   SER 108           HA       SER 108  15.057  -7.156  -0.447
  738   1HB   SER 108          1HB       SER 108  13.725  -4.513  -0.005
  739   2HB   SER 108          2HB       SER 108  14.574  -5.546   1.147
  740    HG   SER 108           HG       SER 108  16.288  -4.791  -0.751
  741    H    ASN 109           H        ASN 109  13.317  -8.389  -0.027
  742    HA   ASN 109           HA       ASN 109  10.964  -8.023  -1.688
  743   1HB   ASN 109          1HB       ASN 109  12.248 -10.271  -1.066
  744   2HB   ASN 109          2HB       ASN 109  11.138 -10.236   0.301
  745   1HD2  ASN 109          1HD2      ASN 109   9.204 -11.094   0.009
  746   2HD2  ASN 109          2HD2      ASN 109   8.472 -11.445  -1.516
  747    H    TYR 110           H        TYR 110   8.969  -7.487  -0.992
  748    HA   TYR 110           HA       TYR 110   8.643  -7.044   1.898
  749   1HB   TYR 110          1HB       TYR 110   7.424  -5.045   1.535
  750   2HB   TYR 110          2HB       TYR 110   8.841  -4.918   0.513
  751    HD1  TYR 110           HD1      TYR 110   8.617  -5.154  -1.953
  752    HD2  TYR 110           HD2      TYR 110   5.223  -5.093   0.611
  753    HE1  TYR 110           HE1      TYR 110   7.172  -4.672  -3.885
  754    HE2  TYR 110           HE2      TYR 110   3.770  -4.616  -1.311
  755    HH   TYR 110           HH       TYR 110   5.097  -4.190  -4.579
  756    H    SER 111           H        SER 111   6.513  -7.317   2.712
  757    HA   SER 111           HA       SER 111   4.662  -8.719   0.908
  758   1HB   SER 111          1HB       SER 111   4.857  -9.505   3.799
  759   2HB   SER 111          2HB       SER 111   4.269 -10.444   2.425
  760    HG   SER 111           HG       SER 111   6.663 -10.079   1.756
  761    H    LEU 112           H        LEU 112   3.169  -7.189   0.650
  762    HA   LEU 112           HA       LEU 112   2.217  -5.728   3.020
  763   1HB   LEU 112          1HB       LEU 112   2.932  -4.397   1.091
  764   2HB   LEU 112          2HB       LEU 112   1.743  -5.206   0.088
  765    HG   LEU 112           HG       LEU 112   0.078  -4.258   1.935
  766   1HD1  LEU 112          1HD1      LEU 112   2.495  -2.488   2.072
  767   2HD1  LEU 112          2HD1      LEU 112   0.875  -1.904   2.456
  768   3HD1  LEU 112          3HD1      LEU 112   1.584  -3.219   3.395
  769   1HD2  LEU 112          1HD2      LEU 112  -0.633  -2.850   0.314
  770   2HD2  LEU 112          2HD2      LEU 112   0.976  -2.186   0.032
  771   3HD2  LEU 112          3HD2      LEU 112   0.535  -3.749  -0.655
  772    H    ASP 113           H        ASP 113   0.494  -6.580   4.022
  773    HA   ASP 113           HA       ASP 113  -1.508  -7.991   2.393
  774   1HB   ASP 113          1HB       ASP 113  -2.115  -8.008   5.224
  775   2HB   ASP 113          2HB       ASP 113  -1.895  -9.359   4.129
  776    H    ALA 114           H        ALA 114  -2.951  -6.637   1.580
  777    HA   ALA 114           HA       ALA 114  -4.208  -4.708   3.420
  778   1HB   ALA 114          1HB       ALA 114  -3.646  -3.003   2.107
  779   2HB   ALA 114          2HB       ALA 114  -2.726  -4.114   1.089
  780   3HB   ALA 114          3HB       ALA 114  -4.419  -3.787   0.728
  781    H    THR 115           H        THR 115  -6.451  -4.457   3.212
  782    HA   THR 115           HA       THR 115  -7.765  -6.620   1.781
  783    HB   THR 115           HB       THR 115  -9.491  -4.667   3.130
  784    HG1  THR 115           HG1      THR 115  -8.296  -6.204   5.044
  785   1HG2  THR 115          1HG2      THR 115 -10.489  -6.672   4.050
  786   2HG2  THR 115          2HG2      THR 115  -9.117  -7.640   3.509
  787   3HG2  THR 115          3HG2      THR 115 -10.198  -6.906   2.326
  788    H    VAL 116           H        VAL 116  -7.420  -5.955  -0.326
  789    HA   VAL 116           HA       VAL 116  -8.936  -3.582  -1.176
  790    HB   VAL 116           HB       VAL 116  -7.567  -3.927  -3.357
  791   1HG1  VAL 116          1HG1      VAL 116  -5.665  -2.989  -1.350
  792   2HG1  VAL 116          2HG1      VAL 116  -6.384  -2.142  -2.719
  793   3HG1  VAL 116          3HG1      VAL 116  -7.272  -2.278  -1.200
  794   1HG2  VAL 116          1HG2      VAL 116  -5.218  -4.780  -2.720
  795   2HG2  VAL 116          2HG2      VAL 116  -6.043  -5.605  -1.396
  796   3HG2  VAL 116          3HG2      VAL 116  -6.479  -5.962  -3.069
  797    H    HIS 117           H        HIS 117 -10.579  -3.843  -2.579
  798    HA   HIS 117           HA       HIS 117 -11.458  -6.530  -3.138
  799   1HB   HIS 117          1HB       HIS 117 -12.624  -3.802  -3.664
  800   2HB   HIS 117          2HB       HIS 117 -13.351  -5.258  -4.336
  801    HD1  HIS 117           HD1      HIS 117 -12.916  -7.068  -1.798
  802    HD2  HIS 117           HD2      HIS 117 -14.567  -3.251  -1.797
  803    HE1  HIS 117           HE1      HIS 117 -14.308  -6.935   0.290
  804    HE2  HIS 117           HE2      HIS 117 -15.083  -4.534   0.393
  805    H    ASP 118           H        ASP 118  -9.405  -6.863  -4.345
  806    HA   ASP 118           HA       ASP 118  -8.731  -5.602  -6.728
  807   1HB   ASP 118          1HB       ASP 118  -7.108  -6.999  -5.704
  808   2HB   ASP 118          2HB       ASP 118  -8.193  -8.382  -5.690
  809    H    ASP 119           H        ASP 119  -9.833  -5.429  -8.523
  810    HA   ASP 119           HA       ASP 119 -11.955  -7.246  -9.223
  811   1HB   ASP 119          1HB       ASP 119 -12.187  -4.879  -9.746
  812   2HB   ASP 119          2HB       ASP 119 -10.706  -4.911 -10.694
  813    H    LYS 120           H        LYS 120  -8.934  -6.233 -10.785
  814    HA   LYS 120           HA       LYS 120  -7.907  -8.795 -11.140
  815   1HB   LYS 120          1HB       LYS 120  -8.056  -8.858 -13.704
  816   2HB   LYS 120          2HB       LYS 120  -9.472  -9.358 -12.795
  817   1HG   LYS 120          1HG       LYS 120  -9.946  -6.691 -13.168
  818   2HG   LYS 120          2HG       LYS 120  -9.120  -7.149 -14.662
  819   1HD   LYS 120          1HD       LYS 120 -10.780  -9.194 -14.549
  820   2HD   LYS 120          2HD       LYS 120 -11.730  -8.076 -13.566
  821   1HE   LYS 120          1HE       LYS 120 -10.665  -7.446 -16.314
  822   2HE   LYS 120          2HE       LYS 120 -12.292  -8.041 -15.994
  823   1HZ   LYS 120          1HZ       LYS 120 -12.831  -5.904 -15.825
  824   2HZ   LYS 120          2HZ       LYS 120 -11.218  -5.397 -15.687
  825   3HZ   LYS 120          3HZ       LYS 120 -12.060  -5.927 -14.311
  826    H    GLU 121           H        GLU 121  -6.443  -7.109 -10.165
  827    HA   GLU 121           HA       GLU 121  -4.822  -5.907 -12.321
  828   1HB   GLU 121          1HB       GLU 121  -5.874  -4.700  -9.825
  829   2HB   GLU 121          2HB       GLU 121  -4.217  -4.297 -10.250
  830   1HG   GLU 121          1HG       GLU 121  -6.214  -4.082 -12.407
  831   2HG   GLU 121          2HG       GLU 121  -6.339  -2.912 -11.094
  832    H    ASP 122           H        ASP 122  -3.989  -8.254 -11.904
  833    HA   ASP 122           HA       ASP 122  -2.420  -8.680  -9.557
  834   1HB   ASP 122          1HB       ASP 122  -2.039 -10.784 -10.364
  835   2HB   ASP 122          2HB       ASP 122  -3.450 -10.376 -11.330
  836    H    SER 123           H        SER 123  -1.901  -6.777 -12.252
  837    HA   SER 123           HA       SER 123   0.976  -7.046 -12.298
  838   1HB   SER 123          1HB       SER 123   0.007  -4.698 -13.661
  839   2HB   SER 123          2HB       SER 123   0.760  -6.145 -14.337
  840    HG   SER 123           HG       SER 123  -1.125  -6.784 -14.975
  841    H    ASP 124           H        ASP 124  -1.186  -5.506 -10.290
  842    HA   ASP 124           HA       ASP 124   0.288  -3.020 -10.024
  843   1HB   ASP 124          1HB       ASP 124  -2.352  -3.567  -9.754
  844   2HB   ASP 124          2HB       ASP 124  -1.839  -3.627  -8.069
  845    H    VAL 125           H        VAL 125   2.070  -4.764  -9.441
  846    HA   VAL 125           HA       VAL 125   2.248  -4.709  -6.500
  847    HB   VAL 125           HB       VAL 125   4.138  -6.559  -7.604
  848   1HG1  VAL 125          1HG1      VAL 125   3.585  -7.740  -5.769
  849   2HG1  VAL 125          2HG1      VAL 125   2.739  -6.261  -5.311
  850   3HG1  VAL 125          3HG1      VAL 125   1.852  -7.586  -6.063
  851   1HG2  VAL 125          1HG2      VAL 125   3.008  -7.464  -9.306
  852   2HG2  VAL 125          2HG2      VAL 125   1.941  -8.153  -8.082
  853   3HG2  VAL 125          3HG2      VAL 125   1.515  -6.633  -8.869
  854    H    LEU 126           H        LEU 126   3.502  -3.642  -9.436
  855    HA   LEU 126           HA       LEU 126   5.503  -2.021  -8.333
  856   1HB   LEU 126          1HB       LEU 126   6.414  -4.560  -8.366
  857   2HB   LEU 126          2HB       LEU 126   6.857  -4.072  -9.993
  858    HG   LEU 126           HG       LEU 126   7.736  -1.978  -8.376
  859   1HD1  LEU 126          1HD1      LEU 126   9.310  -3.604  -6.940
  860   2HD1  LEU 126          2HD1      LEU 126   7.810  -2.914  -6.320
  861   3HD1  LEU 126          3HD1      LEU 126   7.829  -4.561  -6.950
  862   1HD2  LEU 126          1HD2      LEU 126   9.944  -3.568  -8.835
  863   2HD2  LEU 126          2HD2      LEU 126   8.821  -4.035 -10.112
  864   3HD2  LEU 126          3HD2      LEU 126   9.293  -2.346  -9.927
  865    H    THR 127           H        THR 127   4.587  -3.910 -11.177
  866    HA   THR 127           HA       THR 127   5.668  -2.070 -13.068
  867    HB   THR 127           HB       THR 127   3.764  -3.635 -14.379
  868    HG1  THR 127           HG1      THR 127   3.362  -5.132 -12.908
  869   1HG2  THR 127          1HG2      THR 127   6.720  -3.923 -13.891
  870   2HG2  THR 127          2HG2      THR 127   5.893  -3.349 -15.339
  871   3HG2  THR 127          3HG2      THR 127   5.836  -5.058 -14.912
  872    H    LYS 128           H        LYS 128   4.458  -0.204 -11.930
  873    HA   LYS 128           HA       LYS 128   1.918   0.184 -13.361
  874   1HB   LYS 128          1HB       LYS 128   1.706  -0.280 -10.845
  875   2HB   LYS 128          2HB       LYS 128   2.391   1.324 -10.620
  876   1HG   LYS 128          1HG       LYS 128  -0.077   1.283 -10.520
  877   2HG   LYS 128          2HG       LYS 128   0.554   2.335 -11.787
  878   1HD   LYS 128          1HD       LYS 128  -0.026   0.813 -13.486
  879   2HD   LYS 128          2HD       LYS 128  -0.256  -0.506 -12.337
  880   1HE   LYS 128          1HE       LYS 128  -1.956   1.971 -12.305
  881   2HE   LYS 128          2HE       LYS 128  -2.351   0.574 -13.304
  882   1HZ   LYS 128          1HZ       LYS 128  -3.178  -0.488 -11.555
  883   2HZ   LYS 128          2HZ       LYS 128  -3.031   0.956 -10.675
  884   3HZ   LYS 128          3HZ       LYS 128  -1.788  -0.198 -10.619
  885    H    CYS 129           H        CYS 129   4.481   1.933 -11.572
  886    HA   CYS 129           HA       CYS 129   4.303   4.018 -13.629
  887   1HB   CYS 129          1HB       CYS 129   4.858   5.450 -11.339
  888   2HB   CYS 129          2HB       CYS 129   3.291   5.368 -12.144
  889    HA   PRO 130           HA       PRO 130   8.788   3.805 -13.199
  890   1HB   PRO 130          1HB       PRO 130   8.947   5.714 -15.349
  891   2HB   PRO 130          2HB       PRO 130   9.313   3.988 -15.398
  892   1HG   PRO 130          1HG       PRO 130   7.202   5.165 -16.713
  893   2HG   PRO 130          2HG       PRO 130   7.267   3.459 -16.247
  894   1HD   PRO 130          1HD       PRO 130   5.864   5.737 -14.911
  895   2HD   PRO 130          2HD       PRO 130   5.331   4.056 -15.133
  896    H    VAL 131           H        VAL 131   7.901   5.116 -11.205
  897    HA   VAL 131           HA       VAL 131   8.065   7.998 -11.526
  898    HB   VAL 131           HB       VAL 131   6.829   6.145  -9.597
  899   1HG1  VAL 131          1HG1      VAL 131   8.056   7.010  -7.867
  900   2HG1  VAL 131          2HG1      VAL 131   8.275   8.573  -8.654
  901   3HG1  VAL 131          3HG1      VAL 131   6.721   8.165  -7.924
  902   1HG2  VAL 131          1HG2      VAL 131   5.298   7.230 -10.910
  903   2HG2  VAL 131          2HG2      VAL 131   5.306   8.273  -9.488
  904   3HG2  VAL 131          3HG2      VAL 131   6.212   8.738 -10.927
  Start of MODEL    3
    1   1H    ARG  14          1H        ARG  14 -10.623 -10.630   3.508
    2    HA   ARG  14           HA       ARG  14 -10.652 -11.948   5.951
    3   1HB   ARG  14          1HB       ARG  14  -8.090 -11.965   5.272
    4   2HB   ARG  14          2HB       ARG  14  -8.150 -10.316   5.880
    5   1HG   ARG  14          1HG       ARG  14  -8.504 -10.972   8.038
    6   2HG   ARG  14          2HG       ARG  14  -9.287 -12.481   7.567
    7   1HD   ARG  14          1HD       ARG  14  -7.368 -13.602   7.668
    8   2HD   ARG  14          2HD       ARG  14  -6.536 -12.393   6.687
    9    HE   ARG  14           HE       ARG  14  -6.268 -11.106   8.811
   10   1HH1  ARG  14          1HH1      ARG  14  -6.715 -14.590   8.902
   11   2HH1  ARG  14          2HH1      ARG  14  -5.886 -14.771  10.423
   12   1HH2  ARG  14          1HH2      ARG  14  -5.199 -11.346  10.787
   13   2HH2  ARG  14          2HH2      ARG  14  -5.041 -12.922  11.510
   14    H    ILE  15           H        ILE  15  -9.456  -8.916   4.552
   15    HA   ILE  15           HA       ILE  15 -11.311  -7.442   6.303
   16    HB   ILE  15           HB       ILE  15  -9.623  -5.519   6.042
   17   1HG1  ILE  15          1HG1      ILE  15  -7.443  -7.487   5.851
   18   2HG1  ILE  15          2HG1      ILE  15  -8.346  -7.255   4.359
   19   1HG2  ILE  15          1HG2      ILE  15  -8.187  -6.455   7.902
   20   2HG2  ILE  15          2HG2      ILE  15  -9.930  -6.466   8.174
   21   3HG2  ILE  15          3HG2      ILE  15  -9.099  -7.954   7.720
   22   1HD1  ILE  15          1HD1      ILE  15  -7.784  -4.984   4.247
   23   2HD1  ILE  15          2HD1      ILE  15  -7.241  -4.951   5.925
   24   3HD1  ILE  15          3HD1      ILE  15  -6.297  -5.812   4.708
   25    HA   PRO  16           HA       PRO  16 -12.595  -5.521   2.497
   26   1HB   PRO  16          1HB       PRO  16 -13.682  -3.239   3.320
   27   2HB   PRO  16          2HB       PRO  16 -14.296  -4.794   3.894
   28   1HG   PRO  16          1HG       PRO  16 -12.604  -2.792   5.298
   29   2HG   PRO  16          2HG       PRO  16 -13.832  -3.884   5.957
   30   1HD   PRO  16          1HD       PRO  16 -11.022  -4.267   5.957
   31   2HD   PRO  16          2HD       PRO  16 -12.262  -5.444   6.433
   32    H    ASN  17           H        ASN  17  -9.778  -4.360   3.784
   33    HA   ASN  17           HA       ASN  17  -9.696  -1.963   2.108
   34   1HB   ASN  17          1HB       ASN  17  -8.998  -1.679   4.452
   35   2HB   ASN  17          2HB       ASN  17  -7.733  -2.883   4.214
   36   1HD2  ASN  17          1HD2      ASN  17  -5.812  -1.999   3.997
   37   2HD2  ASN  17          2HD2      ASN  17  -5.462  -0.503   3.200
   38    H    ILE  18           H        ILE  18  -9.009  -2.267   0.105
   39    HA   ILE  18           HA       ILE  18  -7.455  -4.643  -0.496
   40    HB   ILE  18           HB       ILE  18  -7.989  -2.969  -2.791
   41   1HG1  ILE  18          1HG1      ILE  18  -9.915  -2.416  -1.102
   42   2HG1  ILE  18          2HG1      ILE  18 -10.295  -2.766  -2.783
   43   1HG2  ILE  18          1HG2      ILE  18  -8.364  -4.956  -3.784
   44   2HG2  ILE  18          2HG2      ILE  18  -7.549  -5.564  -2.341
   45   3HG2  ILE  18          3HG2      ILE  18  -9.311  -5.579  -2.433
   46   1HD1  ILE  18          1HD1      ILE  18 -11.648  -3.848  -0.818
   47   2HD1  ILE  18          2HD1      ILE  18 -11.286  -4.759  -2.282
   48   3HD1  ILE  18          3HD1      ILE  18 -10.318  -5.004  -0.829
   49    H    ALA  19           H        ALA  19  -5.351  -4.402  -0.102
   50    HA   ALA  19           HA       ALA  19  -3.903  -3.007  -2.149
   51   1HB   ALA  19          1HB       ALA  19  -4.202  -1.571   0.174
   52   2HB   ALA  19          2HB       ALA  19  -2.666  -2.396   0.434
   53   3HB   ALA  19          3HB       ALA  19  -2.887  -1.371  -0.984
   54    H    THR  20           H        THR  20  -3.558  -5.227  -2.654
   55    HA   THR  20           HA       THR  20  -2.032  -6.777  -0.672
   56    HB   THR  20           HB       THR  20  -3.058  -8.209  -3.025
   57    HG1  THR  20           HG1      THR  20  -4.777  -6.846  -1.205
   58   1HG2  THR  20          1HG2      THR  20  -2.058  -9.091  -0.802
   59   2HG2  THR  20          2HG2      THR  20  -3.473  -9.903  -1.474
   60   3HG2  THR  20          3HG2      THR  20  -3.658  -8.768  -0.137
   61    H    TYR  21           H        TYR  21   0.086  -6.427  -1.034
   62    HA   TYR  21           HA       TYR  21   1.046  -6.759  -3.788
   63   1HB   TYR  21          1HB       TYR  21   1.838  -4.511  -1.926
   64   2HB   TYR  21          2HB       TYR  21   2.548  -4.821  -3.510
   65    HD1  TYR  21           HD1      TYR  21   0.051  -3.015  -1.777
   66    HD2  TYR  21           HD2      TYR  21   0.842  -4.927  -5.492
   67    HE1  TYR  21           HE1      TYR  21  -1.742  -1.701  -2.832
   68    HE2  TYR  21           HE2      TYR  21  -0.936  -3.614  -6.553
   69    HH   TYR  21           HH       TYR  21  -2.935  -2.431  -5.970
   70    H    THR  22           H        THR  22   1.704  -8.823  -3.135
   71    HA   THR  22           HA       THR  22   3.943  -8.983  -1.269
   72    HB   THR  22           HB       THR  22   3.378 -11.475  -2.570
   73    HG1  THR  22           HG1      THR  22   1.307 -10.941  -3.010
   74   1HG2  THR  22          1HG2      THR  22   2.885 -10.467   0.234
   75   2HG2  THR  22          2HG2      THR  22   4.320 -11.314  -0.350
   76   3HG2  THR  22          3HG2      THR  22   2.774 -12.157  -0.257
   77    H    GLY  23           H        GLY  23   5.711  -8.111  -2.351
   78   1HA   GLY  23          1HA       GLY  23   6.701  -9.645  -4.618
   79   2HA   GLY  23          2HA       GLY  23   6.322  -7.965  -4.956
   80    H    THR  24           H        THR  24   8.578  -7.793  -5.525
   81    HA   THR  24           HA       THR  24  10.278  -7.387  -3.157
   82    HB   THR  24           HB       THR  24  11.831  -7.927  -5.539
   83    HG1  THR  24           HG1      THR  24   9.674  -9.594  -5.004
   84   1HG2  THR  24          1HG2      THR  24  12.565  -8.024  -3.140
   85   2HG2  THR  24          2HG2      THR  24  12.991  -9.442  -4.100
   86   3HG2  THR  24          3HG2      THR  24  11.630  -9.510  -2.980
   87    H    ILE  25           H        ILE  25  11.439  -5.517  -3.102
   88    HA   ILE  25           HA       ILE  25  11.112  -3.678  -5.380
   89    HB   ILE  25           HB       ILE  25  10.106  -2.597  -3.559
   90   1HG1  ILE  25          1HG1      ILE  25  11.804  -0.834  -2.783
   91   2HG1  ILE  25          2HG1      ILE  25  12.973  -1.695  -3.779
   92   1HG2  ILE  25          1HG2      ILE  25  11.987  -2.550  -1.459
   93   2HG2  ILE  25          2HG2      ILE  25  10.400  -3.317  -1.493
   94   3HG2  ILE  25          3HG2      ILE  25  11.829  -4.225  -1.991
   95   1HD1  ILE  25          1HD1      ILE  25  10.789  -1.309  -5.442
   96   2HD1  ILE  25          2HD1      ILE  25  10.944   0.199  -4.539
   97   3HD1  ILE  25          3HD1      ILE  25  12.313  -0.423  -5.461
   98    H    GLN  26           H        GLN  26  12.894  -2.764  -6.297
   99    HA   GLN  26           HA       GLN  26  15.350  -4.124  -6.110
  100   1HB   GLN  26          1HB       GLN  26  14.435  -1.607  -7.455
  101   2HB   GLN  26          2HB       GLN  26  16.147  -2.005  -7.427
  102   1HG   GLN  26          1HG       GLN  26  13.942  -3.698  -8.583
  103   2HG   GLN  26          2HG       GLN  26  15.126  -2.755  -9.487
  104   1HE2  GLN  26          1HE2      GLN  26  14.652  -5.562  -9.707
  105   2HE2  GLN  26          2HE2      GLN  26  16.111  -6.367  -9.243
  106    H    GLY  27           H        GLY  27  17.441  -3.213  -5.520
  107   1HA   GLY  27          1HA       GLY  27  17.435  -2.246  -2.882
  108   2HA   GLY  27          2HA       GLY  27  18.839  -2.346  -3.932
  109    H    LYS  28           H        LYS  28  17.239  -0.319  -2.068
  110    HA   LYS  28           HA       LYS  28  17.044   1.922  -1.836
  111   1HB   LYS  28          1HB       LYS  28  19.542   1.445  -3.153
  112   2HB   LYS  28          2HB       LYS  28  18.851   2.944  -3.763
  113   1HG   LYS  28          1HG       LYS  28  19.137   4.025  -1.815
  114   2HG   LYS  28          2HG       LYS  28  18.765   2.598  -0.844
  115   1HD   LYS  28          1HD       LYS  28  20.930   1.844  -0.876
  116   2HD   LYS  28          2HD       LYS  28  21.301   2.642  -2.405
  117   1HE   LYS  28          1HE       LYS  28  20.933   3.994   0.265
  118   2HE   LYS  28          2HE       LYS  28  22.471   3.704  -0.545
  119   1HZ   LYS  28          1HZ       LYS  28  20.790   5.898  -0.824
  120   2HZ   LYS  28          2HZ       LYS  28  20.726   5.060  -2.298
  121   3HZ   LYS  28          3HZ       LYS  28  22.219   5.572  -1.680
  122    H    GLY  29           H        GLY  29  15.001   1.113  -3.188
  123   1HA   GLY  29          1HA       GLY  29  14.768   3.009  -5.434
  124   2HA   GLY  29          2HA       GLY  29  14.120   1.379  -5.543
  125    H    GLU  30           H        GLU  30  12.364   3.225  -6.040
  126    HA   GLU  30           HA       GLU  30  10.721   3.327  -3.605
  127   1HB   GLU  30          1HB       GLU  30  11.722   5.523  -5.106
  128   2HB   GLU  30          2HB       GLU  30   9.989   5.432  -5.393
  129   1HG   GLU  30          1HG       GLU  30   9.491   6.126  -3.339
  130   2HG   GLU  30          2HG       GLU  30  10.732   5.119  -2.591
  131    H    VAL  31           H        VAL  31   8.772   2.448  -3.832
  132    HA   VAL  31           HA       VAL  31   7.633   2.254  -6.540
  133    HB   VAL  31           HB       VAL  31   6.358   0.209  -5.313
  134   1HG1  VAL  31          1HG1      VAL  31   8.808   0.299  -7.019
  135   2HG1  VAL  31          2HG1      VAL  31   8.146  -1.247  -6.489
  136   3HG1  VAL  31          3HG1      VAL  31   7.155  -0.147  -7.449
  137   1HG2  VAL  31          1HG2      VAL  31   7.410  -0.347  -3.423
  138   2HG2  VAL  31          2HG2      VAL  31   8.663  -1.010  -4.472
  139   3HG2  VAL  31          3HG2      VAL  31   8.830   0.621  -3.821
  140    H    CYS  32           H        CYS  32   5.220   1.980  -6.463
  141    HA   CYS  32           HA       CYS  32   4.007   3.400  -4.235
  142   1HB   CYS  32          1HB       CYS  32   3.299   5.254  -5.546
  143   2HB   CYS  32          2HB       CYS  32   5.005   5.046  -5.897
  144    H    ILE  33           H        ILE  33   2.029   2.504  -3.823
  145    HA   ILE  33           HA       ILE  33   0.321   1.674  -6.010
  146    HB   ILE  33           HB       ILE  33   0.135  -0.633  -4.570
  147   1HG1  ILE  33          1HG1      ILE  33   2.915   0.404  -4.318
  148   2HG1  ILE  33          2HG1      ILE  33   1.992  -0.609  -3.219
  149   1HG2  ILE  33          1HG2      ILE  33   1.909  -0.184  -6.963
  150   2HG2  ILE  33          2HG2      ILE  33   1.167  -1.707  -6.473
  151   3HG2  ILE  33          3HG2      ILE  33   0.155  -0.366  -7.014
  152   1HD1  ILE  33          1HD1      ILE  33   2.454  -2.556  -4.506
  153   2HD1  ILE  33          2HD1      ILE  33   3.151  -1.597  -5.811
  154   3HD1  ILE  33          3HD1      ILE  33   3.978  -1.703  -4.257
  155    H    ILE  34           H        ILE  34  -1.223   3.078  -5.188
  156    HA   ILE  34           HA       ILE  34  -3.114   3.665  -4.086
  157    HB   ILE  34           HB       ILE  34  -3.284   0.679  -3.738
  158   1HG1  ILE  34          1HG1      ILE  34  -4.473   2.474  -5.861
  159   2HG1  ILE  34          2HG1      ILE  34  -2.982   1.566  -6.069
  160   1HG2  ILE  34          1HG2      ILE  34  -5.228   2.876  -3.224
  161   2HG2  ILE  34          2HG2      ILE  34  -5.822   1.352  -3.886
  162   3HG2  ILE  34          3HG2      ILE  34  -4.967   1.371  -2.344
  163   1HD1  ILE  34          1HD1      ILE  34  -5.746   0.459  -5.667
  164   2HD1  ILE  34          2HD1      ILE  34  -4.745   0.359  -7.115
  165   3HD1  ILE  34          3HD1      ILE  34  -4.280  -0.520  -5.658
  166    H    GLY  35           H        GLY  35  -2.677   4.884  -2.295
  167   1HA   GLY  35          1HA       GLY  35  -3.781   4.157   0.092
  168   2HA   GLY  35          2HA       GLY  35  -2.091   3.712   0.267
  169    H    ASN  36           H        ASN  36  -4.313   6.179   0.711
  170    HA   ASN  36           HA       ASN  36  -2.211   8.203   1.070
  171   1HB   ASN  36          1HB       ASN  36  -3.113   9.240  -0.729
  172   2HB   ASN  36          2HB       ASN  36  -4.621   8.348  -0.615
  173   1HD2  ASN  36          1HD2      ASN  36  -6.349   9.326   0.208
  174   2HD2  ASN  36          2HD2      ASN  36  -6.362  10.919   0.888
  175    H    LYS  37           H        LYS  37  -2.674   9.809   2.676
  176    HA   LYS  37           HA       LYS  37  -4.115   8.761   4.927
  177   1HB   LYS  37          1HB       LYS  37  -1.930   9.982   5.079
  178   2HB   LYS  37          2HB       LYS  37  -2.779  11.455   4.637
  179   1HG   LYS  37          1HG       LYS  37  -4.153  10.262   6.817
  180   2HG   LYS  37          2HG       LYS  37  -2.432  10.322   7.201
  181   1HD   LYS  37          1HD       LYS  37  -3.402  12.773   5.962
  182   2HD   LYS  37          2HD       LYS  37  -4.233  12.395   7.472
  183   1HE   LYS  37          1HE       LYS  37  -2.450  12.944   8.694
  184   2HE   LYS  37          2HE       LYS  37  -1.374  11.981   7.683
  185   1HZ   LYS  37          1HZ       LYS  37  -2.050  14.227   6.193
  186   2HZ   LYS  37          2HZ       LYS  37  -0.553  13.872   6.912
  187   3HZ   LYS  37          3HZ       LYS  37  -1.699  14.789   7.758
  188    H    GLU  38           H        GLU  38  -4.333  11.913   3.217
  189    HA   GLU  38           HA       GLU  38  -6.826  12.466   4.586
  190   1HB   GLU  38          1HB       GLU  38  -5.410  14.146   2.513
  191   2HB   GLU  38          2HB       GLU  38  -6.670  14.673   3.619
  192   1HG   GLU  38          1HG       GLU  38  -4.966  15.422   4.843
  193   2HG   GLU  38          2HG       GLU  38  -4.824  13.743   5.359
  194    H    GLY  39           H        GLY  39  -8.623  11.531   3.811
  195   1HA   GLY  39          1HA       GLY  39  -9.209  11.956   0.966
  196   2HA   GLY  39          2HA       GLY  39  -9.364  10.338   1.633
  197    H    LYS  40           H        LYS  40 -11.450  11.727   0.409
  198    HA   LYS  40           HA       LYS  40 -13.397  11.679   2.583
  199   1HB   LYS  40          1HB       LYS  40 -12.614  14.080   1.088
  200   2HB   LYS  40          2HB       LYS  40 -14.343  13.764   1.052
  201   1HG   LYS  40          1HG       LYS  40 -14.483  13.843   3.427
  202   2HG   LYS  40          2HG       LYS  40 -12.724  13.894   3.582
  203   1HD   LYS  40          1HD       LYS  40 -12.708  16.060   2.408
  204   2HD   LYS  40          2HD       LYS  40 -14.470  16.011   2.325
  205   1HE   LYS  40          1HE       LYS  40 -14.567  16.969   4.319
  206   2HE   LYS  40          2HE       LYS  40 -13.782  15.551   5.014
  207   1HZ   LYS  40          1HZ       LYS  40 -12.743  17.912   5.275
  208   2HZ   LYS  40          2HZ       LYS  40 -12.116  17.602   3.730
  209   3HZ   LYS  40          3HZ       LYS  40 -11.750  16.562   5.021
  210    H    THR  41           H        THR  41 -12.764   9.841   0.487
  211    HA   THR  41           HA       THR  41 -14.925  10.278  -1.457
  212    HB   THR  41           HB       THR  41 -12.700   8.322  -1.895
  213    HG1  THR  41           HG1      THR  41 -12.615  11.162  -2.176
  214   1HG2  THR  41          1HG2      THR  41 -14.773   9.696  -3.488
  215   2HG2  THR  41          2HG2      THR  41 -14.058   8.098  -3.697
  216   3HG2  THR  41          3HG2      THR  41 -13.195   9.530  -4.258
  217    H    ARG  42           H        ARG  42 -13.257   7.523   0.129
  218    HA   ARG  42           HA       ARG  42 -15.852   6.130   0.105
  219   1HB   ARG  42          1HB       ARG  42 -14.759   4.046  -0.465
  220   2HB   ARG  42          2HB       ARG  42 -14.385   5.256  -1.683
  221   1HG   ARG  42          1HG       ARG  42 -12.197   5.095  -1.310
  222   2HG   ARG  42          2HG       ARG  42 -12.406   5.179   0.441
  223   1HD   ARG  42          1HD       ARG  42 -11.676   3.048   0.376
  224   2HD   ARG  42          2HD       ARG  42 -13.352   2.698  -0.047
  225    HE   ARG  42           HE       ARG  42 -11.362   3.166  -2.158
  226   1HH1  ARG  42          1HH1      ARG  42 -13.696   1.081  -0.577
  227   2HH1  ARG  42          2HH1      ARG  42 -13.644  -0.128  -1.832
  228   1HH2  ARG  42          1HH2      ARG  42 -11.293   1.577  -3.794
  229   2HH2  ARG  42          2HH2      ARG  42 -12.303   0.167  -3.669
  230    H    GLY  43           H        GLY  43 -15.509   3.975   1.501
  231   1HA   GLY  43          1HA       GLY  43 -14.576   4.952   4.114
  232   2HA   GLY  43          2HA       GLY  43 -15.789   3.704   3.867
  233    H    GLY  44           H        GLY  44 -14.692   2.250   5.217
  234   1HA   GLY  44          1HA       GLY  44 -13.361   0.378   5.471
  235   2HA   GLY  44          2HA       GLY  44 -12.648   0.715   3.900
  236    H    GLU  45           H        GLU  45 -11.885   0.397   7.037
  237    HA   GLU  45           HA       GLU  45 -10.103   2.599   7.383
  238   1HB   GLU  45          1HB       GLU  45  -9.606   0.061   8.845
  239   2HB   GLU  45          2HB       GLU  45  -9.599   1.722   9.431
  240   1HG   GLU  45          1HG       GLU  45 -11.721   1.612  10.080
  241   2HG   GLU  45          2HG       GLU  45 -12.235   0.825   8.588
  242    H    LEU  46           H        LEU  46  -7.985   2.756   6.941
  243    HA   LEU  46           HA       LEU  46  -6.944   1.061   4.899
  244   1HB   LEU  46          1HB       LEU  46  -6.084   3.536   6.295
  245   2HB   LEU  46          2HB       LEU  46  -4.845   2.589   5.493
  246    HG   LEU  46           HG       LEU  46  -7.250   3.168   3.883
  247   1HD1  LEU  46          1HD1      LEU  46  -7.189   5.388   3.937
  248   2HD1  LEU  46          2HD1      LEU  46  -6.156   5.252   5.361
  249   3HD1  LEU  46          3HD1      LEU  46  -5.434   5.407   3.759
  250   1HD2  LEU  46          1HD2      LEU  46  -4.361   3.585   3.191
  251   2HD2  LEU  46          2HD2      LEU  46  -5.089   1.978   3.195
  252   3HD2  LEU  46          3HD2      LEU  46  -5.717   3.227   2.121
  253    H    TYR  47           H        TYR  47  -7.016  -0.920   6.216
  254    HA   TYR  47           HA       TYR  47  -4.785  -1.193   8.072
  255   1HB   TYR  47          1HB       TYR  47  -6.851  -2.242   8.777
  256   2HB   TYR  47          2HB       TYR  47  -6.967  -3.130   7.261
  257    HD1  TYR  47           HD1      TYR  47  -6.496  -5.374   7.453
  258    HD2  TYR  47           HD2      TYR  47  -4.360  -2.628   9.904
  259    HE1  TYR  47           HE1      TYR  47  -5.229  -7.240   8.429
  260    HE2  TYR  47           HE2      TYR  47  -3.092  -4.487  10.888
  261    HH   TYR  47           HH       TYR  47  -3.212  -7.690   9.587
  262    H    ALA  48           H        ALA  48  -2.881  -1.493   7.200
  263    HA   ALA  48           HA       ALA  48  -2.551  -3.605   5.203
  264   1HB   ALA  48          1HB       ALA  48  -2.667  -1.175   4.208
  265   2HB   ALA  48          2HB       ALA  48  -1.001  -1.085   4.782
  266   3HB   ALA  48          3HB       ALA  48  -1.472  -2.330   3.625
  267    H    VAL  49           H        VAL  49  -1.452  -4.953   6.602
  268    HA   VAL  49           HA       VAL  49   0.809  -3.883   8.084
  269    HB   VAL  49           HB       VAL  49  -0.353  -5.582   9.285
  270   1HG1  VAL  49          1HG1      VAL  49  -0.878  -6.691   6.790
  271   2HG1  VAL  49          2HG1      VAL  49   0.095  -7.894   7.636
  272   3HG1  VAL  49          3HG1      VAL  49  -1.399  -7.300   8.361
  273   1HG2  VAL  49          1HG2      VAL  49   2.336  -5.700   8.816
  274   2HG2  VAL  49          2HG2      VAL  49   1.476  -6.645  10.035
  275   3HG2  VAL  49          3HG2      VAL  49   1.831  -7.352   8.458
  276    H    LEU  50           H        LEU  50   2.891  -4.020   7.474
  277    HA   LEU  50           HA       LEU  50   3.388  -5.250   4.853
  278   1HB   LEU  50          1HB       LEU  50   3.328  -3.008   4.281
  279   2HB   LEU  50          2HB       LEU  50   3.953  -2.489   5.834
  280    HG   LEU  50           HG       LEU  50   6.005  -3.985   4.591
  281   1HD1  LEU  50          1HD1      LEU  50   4.637  -3.509   2.515
  282   2HD1  LEU  50          2HD1      LEU  50   5.024  -1.808   2.770
  283   3HD1  LEU  50          3HD1      LEU  50   6.318  -2.974   2.488
  284   1HD2  LEU  50          1HD2      LEU  50   6.493  -2.255   6.122
  285   2HD2  LEU  50          2HD2      LEU  50   7.088  -1.700   4.556
  286   3HD2  LEU  50          3HD2      LEU  50   5.569  -1.073   5.196
  287    H    HIS  51           H        HIS  51   5.126  -6.496   4.740
  288    HA   HIS  51           HA       HIS  51   7.020  -6.467   7.004
  289   1HB   HIS  51          1HB       HIS  51   6.732  -8.807   5.148
  290   2HB   HIS  51          2HB       HIS  51   7.311  -8.780   6.807
  291    HD1  HIS  51           HD1      HIS  51   5.477  -8.710   8.695
  292    HD2  HIS  51           HD2      HIS  51   4.036  -9.242   4.830
  293    HE1  HIS  51           HE1      HIS  51   3.095  -9.498   8.955
  294    HE2  HIS  51           HE2      HIS  51   2.189  -9.646   6.593
  295    H    SER  52           H        SER  52   9.275  -7.031   6.429
  296    HA   SER  52           HA       SER  52   9.974  -6.729   3.625
  297   1HB   SER  52          1HB       SER  52   9.898  -4.421   4.882
  298   2HB   SER  52          2HB       SER  52  11.445  -4.957   5.535
  299    HG   SER  52           HG       SER  52  11.028  -5.196   2.782
  300    H    THR  53           H        THR  53  10.916  -8.693   3.526
  301    HA   THR  53           HA       THR  53  13.026  -9.331   5.453
  302    HB   THR  53           HB       THR  53  12.279 -11.200   3.248
  303    HG1  THR  53           HG1      THR  53  10.242 -10.842   3.906
  304   1HG2  THR  53          1HG2      THR  53  13.020 -12.834   4.701
  305   2HG2  THR  53          2HG2      THR  53  12.626 -11.885   6.134
  306   3HG2  THR  53          3HG2      THR  53  14.042 -11.473   5.167
  307    H    ASN  54           H        ASN  54  15.053  -8.894   4.981
  308    HA   ASN  54           HA       ASN  54  16.326  -9.556   2.584
  309   1HB   ASN  54          1HB       ASN  54  16.798  -7.424   1.569
  310   2HB   ASN  54          2HB       ASN  54  15.052  -7.560   1.734
  311   1HD2  ASN  54          1HD2      ASN  54  14.053  -6.419   3.524
  312   2HD2  ASN  54          2HD2      ASN  54  14.771  -4.955   4.092
  313    H    VAL  55           H        VAL  55  18.286  -7.317   2.805
  314    HA   VAL  55           HA       VAL  55  19.949  -8.450   4.810
  315    HB   VAL  55           HB       VAL  55  20.241  -5.798   3.379
  316   1HG1  VAL  55          1HG1      VAL  55  22.722  -6.327   3.904
  317   2HG1  VAL  55          2HG1      VAL  55  21.700  -5.650   5.173
  318   3HG1  VAL  55          3HG1      VAL  55  22.057  -7.378   5.155
  319   1HG2  VAL  55          1HG2      VAL  55  22.078  -7.581   2.332
  320   2HG2  VAL  55          2HG2      VAL  55  20.610  -8.542   2.505
  321   3HG2  VAL  55          3HG2      VAL  55  20.583  -7.051   1.563
  322    H    ASN  56           H        ASN  56  18.362  -5.293   4.523
  323    HA   ASN  56           HA       ASN  56  18.039  -5.219   7.423
  324   1HB   ASN  56          1HB       ASN  56  20.132  -3.971   6.861
  325   2HB   ASN  56          2HB       ASN  56  19.174  -2.900   5.844
  326   1HD2  ASN  56          1HD2      ASN  56  18.619  -1.079   6.747
  327   2HD2  ASN  56          2HD2      ASN  56  18.386  -0.814   8.445
  328    H    ALA  57           H        ALA  57  15.995  -4.798   7.839
  329    HA   ALA  57           HA       ALA  57  14.208  -3.911   5.776
  330   1HB   ALA  57          1HB       ALA  57  12.848  -3.844   8.228
  331   2HB   ALA  57          2HB       ALA  57  12.814  -5.115   7.005
  332   3HB   ALA  57          3HB       ALA  57  13.977  -5.198   8.328
  333    H    ASP  58           H        ASP  58  15.360  -1.875   5.423
  334    HA   ASP  58           HA       ASP  58  14.619   0.218   7.357
  335   1HB   ASP  58          1HB       ASP  58  16.314   1.586   5.980
  336   2HB   ASP  58          2HB       ASP  58  16.947   0.340   7.051
  337    H    MET  59           H        MET  59  12.541  -0.614   5.902
  338    HA   MET  59           HA       MET  59  12.362   1.198   3.600
  339   1HB   MET  59          1HB       MET  59  12.014  -1.160   3.057
  340   2HB   MET  59          2HB       MET  59  10.734  -1.262   4.258
  341   1HG   MET  59          1HG       MET  59  10.083   0.875   2.545
  342   2HG   MET  59          2HG       MET  59  10.581  -0.475   1.526
  343   1HE   MET  59          1HE       MET  59   9.090  -3.171   3.522
  344   2HE   MET  59          2HE       MET  59   8.303  -3.192   1.944
  345   3HE   MET  59          3HE       MET  59  10.011  -2.771   2.073
  346    H    THR  60           H        THR  60  11.106   2.893   3.724
  347    HA   THR  60           HA       THR  60   9.266   3.171   5.979
  348    HB   THR  60           HB       THR  60   9.198   5.569   4.649
  349    HG1  THR  60           HG1      THR  60  10.833   4.896   3.196
  350   1HG2  THR  60          1HG2      THR  60  11.475   5.443   6.442
  351   2HG2  THR  60          2HG2      THR  60  10.078   4.584   7.093
  352   3HG2  THR  60          3HG2      THR  60   9.937   6.282   6.634
  353    H    LEU  61           H        LEU  61   7.146   2.906   5.701
  354    HA   LEU  61           HA       LEU  61   6.075   2.835   2.969
  355   1HB   LEU  61          1HB       LEU  61   5.751   0.863   4.475
  356   2HB   LEU  61          2HB       LEU  61   4.780   1.880   5.522
  357    HG   LEU  61           HG       LEU  61   3.261   2.272   3.526
  358   1HD1  LEU  61          1HD1      LEU  61   5.305   0.827   2.218
  359   2HD1  LEU  61          2HD1      LEU  61   3.856  -0.179   2.204
  360   3HD1  LEU  61          3HD1      LEU  61   3.802   1.455   1.542
  361   1HD2  LEU  61          1HD2      LEU  61   2.553   0.843   5.301
  362   2HD2  LEU  61          2HD2      LEU  61   2.163   0.049   3.775
  363   3HD2  LEU  61          3HD2      LEU  61   3.561  -0.478   4.713
  364    H    ILE  62           H        ILE  62   4.950   4.513   2.255
  365    HA   ILE  62           HA       ILE  62   3.753   6.331   4.239
  366    HB   ILE  62           HB       ILE  62   5.512   6.879   1.946
  367   1HG1  ILE  62          1HG1      ILE  62   5.532   9.055   3.548
  368   2HG1  ILE  62          2HG1      ILE  62   4.942   7.835   4.671
  369   1HG2  ILE  62          1HG2      ILE  62   4.453   9.211   1.734
  370   2HG2  ILE  62          2HG2      ILE  62   3.693   7.872   0.871
  371   3HG2  ILE  62          3HG2      ILE  62   2.999   8.455   2.385
  372   1HD1  ILE  62          1HD1      ILE  62   7.017   7.137   4.985
  373   2HD1  ILE  62          2HD1      ILE  62   7.137   6.726   3.274
  374   3HD1  ILE  62          3HD1      ILE  62   7.601   8.334   3.829
  375    H    LEU  63           H        LEU  63   1.818   6.768   4.194
  376    HA   LEU  63           HA       LEU  63   0.042   5.873   2.088
  377   1HB   LEU  63          1HB       LEU  63  -0.306   5.694   4.616
  378   2HB   LEU  63          2HB       LEU  63  -0.631   7.409   4.587
  379    HG   LEU  63           HG       LEU  63  -2.456   6.946   3.031
  380   1HD1  LEU  63          1HD1      LEU  63  -3.233   4.499   3.131
  381   2HD1  LEU  63          2HD1      LEU  63  -1.929   4.943   2.017
  382   3HD1  LEU  63          3HD1      LEU  63  -1.551   4.160   3.552
  383   1HD2  LEU  63          1HD2      LEU  63  -3.433   7.219   5.043
  384   2HD2  LEU  63          2HD2      LEU  63  -3.674   5.474   4.961
  385   3HD2  LEU  63          3HD2      LEU  63  -2.296   6.132   5.842
  386    H    LEU  64           H        LEU  64   0.183   7.243   0.305
  387    HA   LEU  64           HA       LEU  64  -0.143  10.109   0.841
  388   1HB   LEU  64          1HB       LEU  64   2.086  10.301   0.463
  389   2HB   LEU  64          2HB       LEU  64   2.173   8.764  -0.379
  390    HG   LEU  64           HG       LEU  64   0.797  10.428  -2.135
  391   1HD1  LEU  64          1HD1      LEU  64   1.299  12.476  -1.254
  392   2HD1  LEU  64          2HD1      LEU  64   2.824  11.927  -0.559
  393   3HD1  LEU  64          3HD1      LEU  64   2.702  12.225  -2.293
  394   1HD2  LEU  64          1HD2      LEU  64   3.605   9.403  -1.950
  395   2HD2  LEU  64          2HD2      LEU  64   2.278   8.833  -2.962
  396   3HD2  LEU  64          3HD2      LEU  64   3.068  10.368  -3.324
  397    H    ARG  65           H        ARG  65  -1.057  11.347  -0.809
  398    HA   ARG  65           HA       ARG  65  -1.880   9.865  -3.203
  399   1HB   ARG  65          1HB       ARG  65  -4.011  10.315  -2.786
  400   2HB   ARG  65          2HB       ARG  65  -3.563  11.127  -1.299
  401   1HG   ARG  65          1HG       ARG  65  -3.122  13.142  -2.956
  402   2HG   ARG  65          2HG       ARG  65  -4.284  12.256  -3.946
  403   1HD   ARG  65          1HD       ARG  65  -5.569  13.756  -2.662
  404   2HD   ARG  65          2HD       ARG  65  -5.767  12.184  -1.889
  405    HE   ARG  65           HE       ARG  65  -4.184  12.922  -0.188
  406   1HH1  ARG  65          1HH1      ARG  65  -5.648  15.377  -2.224
  407   2HH1  ARG  65          2HH1      ARG  65  -5.331  16.669  -1.097
  408   1HH2  ARG  65          1HH2      ARG  65  -3.787  14.626   1.303
  409   2HH2  ARG  65          2HH2      ARG  65  -4.287  16.241   0.885
  410    H    ASN  66           H        ASN  66  -0.733  10.565  -4.848
  411    HA   ASN  66           HA       ASN  66  -0.371  13.461  -5.181
  412   1HB   ASN  66          1HB       ASN  66   1.802  12.743  -4.503
  413   2HB   ASN  66          2HB       ASN  66   1.725  11.311  -5.525
  414   1HD2  ASN  66          1HD2      ASN  66   2.612  11.420  -7.478
  415   2HD2  ASN  66          2HD2      ASN  66   3.102  12.874  -8.276
  416    H    VAL  67           H        VAL  67  -0.650  14.193  -7.264
  417    HA   VAL  67           HA       VAL  67  -0.586  12.588  -9.555
  418    HB   VAL  67           HB       VAL  67  -2.675  11.745  -8.222
  419   1HG1  VAL  67          1HG1      VAL  67  -4.559  12.971  -8.171
  420   2HG1  VAL  67          2HG1      VAL  67  -3.450  14.332  -8.339
  421   3HG1  VAL  67          3HG1      VAL  67  -4.270  13.684  -9.759
  422   1HG2  VAL  67          1HG2      VAL  67  -3.601  10.943 -10.203
  423   2HG2  VAL  67          2HG2      VAL  67  -3.153  12.386 -11.112
  424   3HG2  VAL  67          3HG2      VAL  67  -1.911  11.238 -10.610
  425    H    GLY  68           H        GLY  68  -1.323  13.766 -11.479
  426   1HA   GLY  68          1HA       GLY  68  -1.549  15.731 -12.688
  427   2HA   GLY  68          2HA       GLY  68  -1.920  16.574 -11.188
  428    H    GLY  69           H        GLY  69   0.882  14.625 -11.214
  429   1HA   GLY  69          1HA       GLY  69   2.788  16.477 -12.168
  430   2HA   GLY  69          2HA       GLY  69   2.630  16.635 -10.422
  431    H    ASN  70           H        ASN  70   4.772  15.546 -12.299
  432    HA   ASN  70           HA       ASN  70   4.891  12.738 -11.583
  433   1HB   ASN  70          1HB       ASN  70   5.648  13.455 -13.805
  434   2HB   ASN  70          2HB       ASN  70   6.873  14.482 -13.068
  435   1HD2  ASN  70          1HD2      ASN  70   8.611  13.480 -13.974
  436   2HD2  ASN  70          2HD2      ASN  70   9.090  11.862 -13.581
  437    H    GLY  71           H        GLY  71   5.420  12.268  -9.555
  438   1HA   GLY  71          1HA       GLY  71   7.738  12.159  -8.375
  439   2HA   GLY  71          2HA       GLY  71   7.467  13.888  -8.206
  440    H    TRP  72           H        TRP  72   6.852  10.804  -6.920
  441    HA   TRP  72           HA       TRP  72   4.543  11.497  -5.359
  442   1HB   TRP  72          1HB       TRP  72   6.454   9.177  -4.991
  443   2HB   TRP  72          2HB       TRP  72   4.843   9.323  -4.300
  444    HD1  TRP  72           HD1      TRP  72   6.651   8.120  -7.347
  445    HE1  TRP  72           HE1      TRP  72   4.964   7.208  -9.062
  446    HE3  TRP  72           HE3      TRP  72   2.321   9.817  -5.217
  447    HZ2  TRP  72           HZ2      TRP  72   2.172   7.194  -9.449
  448    HZ3  TRP  72           HZ3      TRP  72   0.193   9.296  -6.314
  449    HH2  TRP  72           HH2      TRP  72   0.115   8.016  -8.383
  450    H    GLY  73           H        GLY  73   4.464  11.847  -3.103
  451   1HA   GLY  73          1HA       GLY  73   7.030  12.773  -1.969
  452   2HA   GLY  73          2HA       GLY  73   5.512  13.628  -1.740
  453    H    GLU  74           H        GLU  74   6.548  13.254   0.541
  454    HA   GLU  74           HA       GLU  74   5.638  10.685   1.633
  455   1HB   GLU  74          1HB       GLU  74   7.642  12.702   2.435
  456   2HB   GLU  74          2HB       GLU  74   6.743  11.962   3.752
  457   1HG   GLU  74          1HG       GLU  74   8.467  10.506   3.626
  458   2HG   GLU  74          2HG       GLU  74   7.384   9.746   2.460
  459    H    ILE  75           H        ILE  75   3.874  10.522   2.859
  460    HA   ILE  75           HA       ILE  75   2.712  12.987   3.967
  461    HB   ILE  75           HB       ILE  75   1.263  10.663   2.695
  462   1HG1  ILE  75          1HG1      ILE  75   2.006  12.404   1.156
  463   2HG1  ILE  75          2HG1      ILE  75   0.254  12.424   1.302
  464   1HG2  ILE  75          1HG2      ILE  75  -0.733  12.358   3.382
  465   2HG2  ILE  75          2HG2      ILE  75  -0.274  10.927   4.311
  466   3HG2  ILE  75          3HG2      ILE  75   0.335  12.518   4.777
  467   1HD1  ILE  75          1HD1      ILE  75   2.130  14.298   2.720
  468   2HD1  ILE  75          2HD1      ILE  75   1.221  14.669   1.254
  469   3HD1  ILE  75          3HD1      ILE  75   0.368  14.344   2.763
  470    H    LYS  76           H        LYS  76   1.572   9.651   4.405
  471    HA   LYS  76           HA       LYS  76   2.138   9.966   7.272
  472   1HB   LYS  76          1HB       LYS  76  -0.195   9.313   6.193
  473   2HB   LYS  76          2HB       LYS  76   0.505   7.699   6.226
  474   1HG   LYS  76          1HG       LYS  76   0.896   9.066   8.738
  475   2HG   LYS  76          2HG       LYS  76  -0.812   8.989   8.300
  476   1HD   LYS  76          1HD       LYS  76  -0.881   6.849   8.895
  477   2HD   LYS  76          2HD       LYS  76   0.398   6.470   7.740
  478   1HE   LYS  76          1HE       LYS  76   1.955   6.334   9.340
  479   2HE   LYS  76          2HE       LYS  76   1.372   7.785  10.151
  480   1HZ   LYS  76          1HZ       LYS  76   1.102   5.976  11.627
  481   2HZ   LYS  76          2HZ       LYS  76   0.356   5.020  10.451
  482   3HZ   LYS  76          3HZ       LYS  76  -0.453   6.372  11.075
  483    H    ARG  77           H        ARG  77   3.950   9.082   7.966
  484    HA   ARG  77           HA       ARG  77   5.153   6.916   6.407
  485   1HB   ARG  77          1HB       ARG  77   6.580   8.816   6.758
  486   2HB   ARG  77          2HB       ARG  77   6.262   8.804   8.486
  487   1HG   ARG  77          1HG       ARG  77   7.301   6.270   7.826
  488   2HG   ARG  77          2HG       ARG  77   8.312   7.474   7.024
  489   1HD   ARG  77          1HD       ARG  77   8.598   8.655   9.148
  490   2HD   ARG  77          2HD       ARG  77   7.575   7.467   9.954
  491    HE   ARG  77           HE       ARG  77  10.293   7.027   8.933
  492   1HH1  ARG  77          1HH1      ARG  77   7.529   5.938  10.795
  493   2HH1  ARG  77          2HH1      ARG  77   8.353   4.547  11.448
  494   1HH2  ARG  77          1HH2      ARG  77  11.394   5.229   9.810
  495   2HH2  ARG  77          2HH2      ARG  77  10.549   4.136  10.883
  496    H    ASN  78           H        ASN  78   5.493   4.930   7.171
  497    HA   ASN  78           HA       ASN  78   5.344   4.433  10.054
  498   1HB   ASN  78          1HB       ASN  78   3.370   3.598   8.188
  499   2HB   ASN  78          2HB       ASN  78   4.269   2.167   8.673
  500   1HD2  ASN  78          1HD2      ASN  78   4.444   1.756  11.004
  501   2HD2  ASN  78          2HD2      ASN  78   3.127   2.214  12.020
  502    H    ASP  79           H        ASP  79   6.228   2.200  10.552
  503    HA   ASP  79           HA       ASP  79   8.746   1.944   9.131
  504   1HB   ASP  79          1HB       ASP  79   7.763   0.759  11.731
  505   2HB   ASP  79          2HB       ASP  79   9.359   0.454  11.051
  506    H    ILE  80           H        ILE  80   9.395  -0.667   9.750
  507    HA   ILE  80           HA       ILE  80   7.821  -2.126   7.762
  508    HB   ILE  80           HB       ILE  80   9.739  -3.830   8.104
  509   1HG1  ILE  80          1HG1      ILE  80  11.838  -2.221   8.706
  510   2HG1  ILE  80          2HG1      ILE  80  10.610  -1.537   9.767
  511   1HG2  ILE  80          1HG2      ILE  80   9.330  -1.796   6.341
  512   2HG2  ILE  80          2HG2      ILE  80  10.953  -1.438   6.933
  513   3HG2  ILE  80          3HG2      ILE  80  10.605  -3.007   6.210
  514   1HD1  ILE  80          1HD1      ILE  80  11.256  -3.103  11.210
  515   2HD1  ILE  80          2HD1      ILE  80  10.331  -4.219  10.205
  516   3HD1  ILE  80          3HD1      ILE  80  12.069  -4.048   9.962
  517    H    ASP  81           H        ASP  81   7.515  -4.465   8.146
  518    HA   ASP  81           HA       ASP  81   6.304  -6.062   9.208
  519   1HB   ASP  81          1HB       ASP  81   8.792  -6.086  10.186
  520   2HB   ASP  81          2HB       ASP  81   7.918  -5.770  11.681
  521    H    LYS  82           H        LYS  82   5.066  -3.634   9.407
  522    HA   LYS  82           HA       LYS  82   3.818  -3.810  12.068
  523   1HB   LYS  82          1HB       LYS  82   3.454  -1.331  11.946
  524   2HB   LYS  82          2HB       LYS  82   5.129  -1.820  12.158
  525   1HG   LYS  82          1HG       LYS  82   5.376  -0.216  10.569
  526   2HG   LYS  82          2HG       LYS  82   5.178  -1.633   9.538
  527   1HD   LYS  82          1HD       LYS  82   2.602  -0.892   9.833
  528   2HD   LYS  82          2HD       LYS  82   3.392   0.680   9.962
  529   1HE   LYS  82          1HE       LYS  82   3.537   0.739   7.748
  530   2HE   LYS  82          2HE       LYS  82   4.627  -0.644   7.817
  531   1HZ   LYS  82          1HZ       LYS  82   2.993  -1.464   6.483
  532   2HZ   LYS  82          2HZ       LYS  82   1.762  -0.565   7.214
  533   3HZ   LYS  82          3HZ       LYS  82   2.377  -1.941   7.988
  534    HA   PRO  83           HA       PRO  83   0.051  -3.664   9.656
  535   1HB   PRO  83          1HB       PRO  83  -1.459  -3.354  12.073
  536   2HB   PRO  83          2HB       PRO  83  -1.255  -4.814  11.105
  537   1HG   PRO  83          1HG       PRO  83  -0.258  -4.474  13.652
  538   2HG   PRO  83          2HG       PRO  83   0.372  -5.630  12.468
  539   1HD   PRO  83          1HD       PRO  83   1.412  -2.928  13.220
  540   2HD   PRO  83          2HD       PRO  83   2.306  -4.418  12.839
  541    H    LEU  84           H        LEU  84  -0.030  -1.702   8.641
  542    HA   LEU  84           HA       LEU  84  -0.345   0.750  10.117
  543   1HB   LEU  84          1HB       LEU  84   0.620   0.253   7.652
  544   2HB   LEU  84          2HB       LEU  84  -1.033   0.672   7.241
  545    HG   LEU  84           HG       LEU  84   0.424   2.507   9.070
  546   1HD1  LEU  84          1HD1      LEU  84   2.161   2.216   7.523
  547   2HD1  LEU  84          2HD1      LEU  84   1.046   2.161   6.157
  548   3HD1  LEU  84          3HD1      LEU  84   1.320   3.679   7.010
  549   1HD2  LEU  84          1HD2      LEU  84  -1.368   3.736   8.623
  550   2HD2  LEU  84          2HD2      LEU  84  -0.894   3.800   6.926
  551   3HD2  LEU  84          3HD2      LEU  84  -1.954   2.511   7.499
  552    H    LYS  85           H        LYS  85  -2.207   1.467  10.891
  553    HA   LYS  85           HA       LYS  85  -4.672   0.508   9.625
  554   1HB   LYS  85          1HB       LYS  85  -5.408   0.917  12.248
  555   2HB   LYS  85          2HB       LYS  85  -5.090  -0.646  11.513
  556   1HG   LYS  85          1HG       LYS  85  -2.867  -0.681  12.357
  557   2HG   LYS  85          2HG       LYS  85  -2.977   0.999  12.885
  558   1HD   LYS  85          1HD       LYS  85  -5.068  -0.044  14.219
  559   2HD   LYS  85          2HD       LYS  85  -4.020  -1.464  14.141
  560   1HE   LYS  85          1HE       LYS  85  -2.171   0.154  14.946
  561   2HE   LYS  85          2HE       LYS  85  -3.512   1.193  15.428
  562   1HZ   LYS  85          1HZ       LYS  85  -2.450  -0.757  16.949
  563   2HZ   LYS  85          2HZ       LYS  85  -3.782  -1.556  16.269
  564   3HZ   LYS  85          3HZ       LYS  85  -4.008  -0.121  17.145
  565    H    TYR  86           H        TYR  86  -6.494   1.897   9.882
  566    HA   TYR  86           HA       TYR  86  -5.759   4.605   9.459
  567   1HB   TYR  86          1HB       TYR  86  -7.553   4.207   8.154
  568   2HB   TYR  86          2HB       TYR  86  -8.149   2.927   9.197
  569    HD1  TYR  86           HD1      TYR  86  -9.961   3.298  10.654
  570    HD2  TYR  86           HD2      TYR  86  -8.122   6.608   8.715
  571    HE1  TYR  86           HE1      TYR  86 -11.818   4.739  11.371
  572    HE2  TYR  86           HE2      TYR  86  -9.977   8.059   9.430
  573    HH   TYR  86           HH       TYR  86 -11.762   7.860  11.579
  574    H    GLU  87           H        GLU  87  -5.020   5.707  11.124
  575    HA   GLU  87           HA       GLU  87  -6.056   5.511  13.777
  576   1HB   GLU  87          1HB       GLU  87  -4.279   7.617  12.511
  577   2HB   GLU  87          2HB       GLU  87  -4.584   7.454  14.235
  578   1HG   GLU  87          1HG       GLU  87  -3.110   5.790  14.465
  579   2HG   GLU  87          2HG       GLU  87  -3.613   5.005  12.969
  580    H    ASP  88           H        ASP  88  -5.746   8.593  12.097
  581    HA   ASP  88           HA       ASP  88  -8.645   8.949  12.134
  582   1HB   ASP  88          1HB       ASP  88  -7.409  10.017  14.191
  583   2HB   ASP  88          2HB       ASP  88  -6.938  11.248  13.022
  584    H    TYR  89           H        TYR  89  -8.432   8.620   9.895
  585    HA   TYR  89           HA       TYR  89  -7.040  10.735   8.404
  586   1HB   TYR  89          1HB       TYR  89  -8.147   8.128   7.339
  587   2HB   TYR  89          2HB       TYR  89  -7.127   9.272   6.473
  588    HD1  TYR  89           HD1      TYR  89  -5.233   9.737   8.907
  589    HD2  TYR  89           HD2      TYR  89  -6.717   6.250   6.982
  590    HE1  TYR  89           HE1      TYR  89  -3.248   8.491   9.645
  591    HE2  TYR  89           HE2      TYR  89  -4.739   4.993   7.715
  592    HH   TYR  89           HH       TYR  89  -2.591   6.155  10.072
  593    H    TYR  90           H        TYR  90  -9.915  10.278   9.695
  594    HA   TYR  90           HA       TYR  90 -12.026  11.015   9.374
  595   1HB   TYR  90          1HB       TYR  90 -11.129  12.395   6.844
  596   2HB   TYR  90          2HB       TYR  90 -12.466  12.829   7.902
  597    HD1  TYR  90           HD1      TYR  90  -9.190  13.642   6.993
  598    HD2  TYR  90           HD2      TYR  90 -11.712  13.368  10.407
  599    HE1  TYR  90           HE1      TYR  90  -7.712  15.189   8.200
  600    HE2  TYR  90           HE2      TYR  90 -10.245  14.924  11.622
  601    HH   TYR  90           HH       TYR  90  -7.173  15.988  10.282
  602    H    THR  91           H        THR  91 -10.805  10.449   6.060
  603    HA   THR  91           HA       THR  91 -12.529   8.141   5.770
  604    HB   THR  91           HB       THR  91 -13.084   9.587   3.425
  605    HG1  THR  91           HG1      THR  91 -12.585  11.521   4.520
  606   1HG2  THR  91          1HG2      THR  91 -15.303   9.704   5.221
  607   2HG2  THR  91          2HG2      THR  91 -14.460   8.173   5.456
  608   3HG2  THR  91          3HG2      THR  91 -15.046   8.620   3.853
  609    H    SER  92           H        SER  92 -12.223   7.220   3.463
  610    HA   SER  92           HA       SER  92  -9.377   7.296   2.889
  611   1HB   SER  92          1HB       SER  92 -11.212   5.545   1.341
  612   2HB   SER  92          2HB       SER  92  -9.642   5.182   2.060
  613    HG   SER  92           HG       SER  92 -11.509   4.170   3.097
  614    H    GLY  93           H        GLY  93  -8.538   7.627   0.758
  615   1HA   GLY  93          1HA       GLY  93 -10.017   9.771  -0.559
  616   2HA   GLY  93          2HA       GLY  93  -8.309   9.421  -0.749
  617    H    LEU  94           H        LEU  94  -9.540  10.005  -2.953
  618    HA   LEU  94           HA       LEU  94 -10.687   7.750  -4.315
  619   1HB   LEU  94          1HB       LEU  94 -10.941  10.379  -4.668
  620   2HB   LEU  94          2HB       LEU  94  -9.615  10.110  -5.782
  621    HG   LEU  94           HG       LEU  94 -11.965   8.319  -6.052
  622   1HD1  LEU  94          1HD1      LEU  94 -13.255   9.935  -7.270
  623   2HD1  LEU  94          2HD1      LEU  94 -12.939  10.571  -5.656
  624   3HD1  LEU  94          3HD1      LEU  94 -12.016  11.166  -7.037
  625   1HD2  LEU  94          1HD2      LEU  94 -11.441   8.897  -8.490
  626   2HD2  LEU  94          2HD2      LEU  94  -9.978   9.656  -7.860
  627   3HD2  LEU  94          3HD2      LEU  94 -10.259   7.934  -7.604
  628    H    SER  95           H        SER  95  -7.964   9.748  -5.395
  629    HA   SER  95           HA       SER  95  -6.570   7.341  -6.285
  630   1HB   SER  95          1HB       SER  95  -5.690  10.189  -6.754
  631   2HB   SER  95          2HB       SER  95  -5.279   8.749  -7.688
  632    HG   SER  95           HG       SER  95  -7.840   8.831  -7.823
  633    H    TRP  96           H        TRP  96  -4.626   6.712  -5.444
  634    HA   TRP  96           HA       TRP  96  -3.143   8.265  -3.589
  635   1HB   TRP  96          1HB       TRP  96  -3.533   6.492  -1.720
  636   2HB   TRP  96          2HB       TRP  96  -4.587   7.880  -1.870
  637    HD1  TRP  96           HD1      TRP  96  -5.801   5.601  -4.454
  638    HE1  TRP  96           HE1      TRP  96  -7.774   4.204  -3.585
  639    HE3  TRP  96           HE3      TRP  96  -5.196   6.425   0.584
  640    HZ2  TRP  96           HZ2      TRP  96  -8.934   3.532  -1.112
  641    HZ3  TRP  96           HZ3      TRP  96  -6.822   5.357   2.110
  642    HH2  TRP  96           HH2      TRP  96  -8.629   3.942   1.285
  643    H    ILE  97           H        ILE  97  -1.368   7.025  -2.587
  644    HA   ILE  97           HA       ILE  97  -0.689   4.557  -3.987
  645    HB   ILE  97           HB       ILE  97   0.159   7.058  -4.912
  646   1HG1  ILE  97          1HG1      ILE  97   1.561   5.668  -6.444
  647   2HG1  ILE  97          2HG1      ILE  97   1.132   4.266  -5.468
  648   1HG2  ILE  97          1HG2      ILE  97   2.493   5.615  -3.676
  649   2HG2  ILE  97          2HG2      ILE  97   2.582   7.007  -4.755
  650   3HG2  ILE  97          3HG2      ILE  97   1.846   7.174  -3.160
  651   1HD1  ILE  97          1HD1      ILE  97  -0.925   6.027  -6.735
  652   2HD1  ILE  97          2HD1      ILE  97  -0.192   4.662  -7.581
  653   3HD1  ILE  97          3HD1      ILE  97  -1.110   4.393  -6.100
  654    H    TRP  98           H        TRP  98   0.315   3.162  -2.650
  655    HA   TRP  98           HA       TRP  98   1.353   3.931  -0.073
  656   1HB   TRP  98          1HB       TRP  98   1.147   1.390  -1.645
  657   2HB   TRP  98          2HB       TRP  98   2.382   1.469  -0.405
  658    HD1  TRP  98           HD1      TRP  98  -0.684  -0.085  -0.774
  659    HE1  TRP  98           HE1      TRP  98  -2.017  -0.326   1.404
  660    HE3  TRP  98           HE3      TRP  98   1.712   3.426   2.065
  661    HZ2  TRP  98           HZ2      TRP  98  -2.054   0.799   3.983
  662    HZ3  TRP  98           HZ3      TRP  98   0.956   3.797   4.376
  663    HH2  TRP  98           HH2      TRP  98  -0.900   2.476   5.310
  664    H    LYS  99           H        LYS  99   3.196   5.142  -0.106
  665    HA   LYS  99           HA       LYS  99   5.177   4.761  -2.176
  666   1HB   LYS  99          1HB       LYS  99   4.448   6.927  -0.720
  667   2HB   LYS  99          2HB       LYS  99   5.865   6.404   0.182
  668   1HG   LYS  99          1HG       LYS  99   6.765   6.290  -2.392
  669   2HG   LYS  99          2HG       LYS  99   5.666   7.669  -2.442
  670   1HD   LYS  99          1HD       LYS  99   6.918   8.315  -0.215
  671   2HD   LYS  99          2HD       LYS  99   8.189   7.301  -0.904
  672   1HE   LYS  99          1HE       LYS  99   7.809   8.707  -3.045
  673   2HE   LYS  99          2HE       LYS  99   7.013   9.847  -1.959
  674   1HZ   LYS  99          1HZ       LYS  99   9.841   9.088  -2.125
  675   2HZ   LYS  99          2HZ       LYS  99   9.214   9.517  -0.603
  676   3HZ   LYS  99          3HZ       LYS  99   9.140  10.618  -1.888
  677    H    ILE 100           H        ILE 100   6.450   3.073  -2.084
  678    HA   ILE 100           HA       ILE 100   7.469   2.131   0.515
  679    HB   ILE 100           HB       ILE 100   7.372   0.745  -2.174
  680   1HG1  ILE 100          1HG1      ILE 100   6.011  -0.334   0.235
  681   2HG1  ILE 100          2HG1      ILE 100   5.291   1.089  -0.514
  682   1HG2  ILE 100          1HG2      ILE 100   9.151   0.298  -0.070
  683   2HG2  ILE 100          2HG2      ILE 100   7.934  -0.969   0.077
  684   3HG2  ILE 100          3HG2      ILE 100   8.824  -0.771  -1.433
  685   1HD1  ILE 100          1HD1      ILE 100   5.990  -1.336  -2.120
  686   2HD1  ILE 100          2HD1      ILE 100   4.466  -1.209  -1.242
  687   3HD1  ILE 100          3HD1      ILE 100   4.858  -0.038  -2.501
  688    H    LYS 101           H        LYS 101   9.322   3.121   0.974
  689    HA   LYS 101           HA       LYS 101  11.365   3.261  -1.145
  690   1HB   LYS 101          1HB       LYS 101  10.905   5.510  -0.671
  691   2HB   LYS 101          2HB       LYS 101  10.671   5.200   1.044
  692   1HG   LYS 101          1HG       LYS 101  12.936   5.158   1.483
  693   2HG   LYS 101          2HG       LYS 101  13.360   4.798  -0.191
  694   1HD   LYS 101          1HD       LYS 101  12.175   7.194  -0.517
  695   2HD   LYS 101          2HD       LYS 101  12.816   7.388   1.117
  696   1HE   LYS 101          1HE       LYS 101  14.922   7.541   0.380
  697   2HE   LYS 101          2HE       LYS 101  14.725   6.170  -0.711
  698   1HZ   LYS 101          1HZ       LYS 101  13.876   8.965  -1.251
  699   2HZ   LYS 101          2HZ       LYS 101  13.628   7.650  -2.296
  700   3HZ   LYS 101          3HZ       LYS 101  15.206   8.173  -1.938
  701    H    ASN 102           H        ASN 102  12.985   1.896  -0.812
  702    HA   ASN 102           HA       ASN 102  13.584   1.098   1.962
  703   1HB   ASN 102          1HB       ASN 102  14.485  -0.978   1.070
  704   2HB   ASN 102          2HB       ASN 102  12.846  -0.737   0.469
  705   1HD2  ASN 102          1HD2      ASN 102  15.121  -2.327  -0.587
  706   2HD2  ASN 102          2HD2      ASN 102  15.321  -1.774  -2.220
  707    H    ASN 103           H        ASN 103  15.842   0.851   2.556
  708    HA   ASN 103           HA       ASN 103  17.408   2.912   1.153
  709   1HB   ASN 103          1HB       ASN 103  17.248   2.111   4.046
  710   2HB   ASN 103          2HB       ASN 103  18.636   3.002   3.430
  711   1HD2  ASN 103          1HD2      ASN 103  15.249   3.107   4.164
  712   2HD2  ASN 103          2HD2      ASN 103  15.061   4.821   4.007
  713    H    SER 104           H        SER 104  17.474  -0.370   2.325
  714    HA   SER 104           HA       SER 104  20.256  -0.791   1.936
  715   1HB   SER 104          1HB       SER 104  17.876  -2.633   2.107
  716   2HB   SER 104          2HB       SER 104  19.491  -3.250   1.756
  717    HG   SER 104           HG       SER 104  18.710  -1.747   4.048
  718    H    SER 105           H        SER 105  21.385  -1.500   0.172
  719    HA   SER 105           HA       SER 105  20.161  -0.876  -2.380
  720   1HB   SER 105          1HB       SER 105  22.982  -1.845  -2.061
  721   2HB   SER 105          2HB       SER 105  22.328  -0.676  -3.210
  722    HG   SER 105           HG       SER 105  23.045   0.743  -1.839
  723    H    GLU 106           H        GLU 106  19.729  -3.460  -0.739
  724    HA   GLU 106           HA       GLU 106  20.253  -5.343  -2.935
  725   1HB   GLU 106          1HB       GLU 106  20.899  -5.614  -0.278
  726   2HB   GLU 106          2HB       GLU 106  19.366  -6.471  -0.372
  727   1HG   GLU 106          1HG       GLU 106  21.489  -7.043  -2.385
  728   2HG   GLU 106          2HG       GLU 106  21.620  -7.724  -0.767
  729    H    THR 107           H        THR 107  18.576  -6.797  -3.514
  730    HA   THR 107           HA       THR 107  16.042  -5.685  -3.807
  731    HB   THR 107           HB       THR 107  16.002  -8.597  -3.831
  732    HG1  THR 107           HG1      THR 107  18.245  -8.368  -4.194
  733   1HG2  THR 107          1HG2      THR 107  15.922  -6.775  -6.213
  734   2HG2  THR 107          2HG2      THR 107  14.570  -6.840  -5.082
  735   3HG2  THR 107          3HG2      THR 107  15.067  -8.294  -5.947
  736    H    SER 108           H        SER 108  14.763  -5.159  -2.161
  737    HA   SER 108           HA       SER 108  14.669  -6.871   0.202
  738   1HB   SER 108          1HB       SER 108  13.139  -4.312  -0.018
  739   2HB   SER 108          2HB       SER 108  13.939  -5.024   1.384
  740    HG   SER 108           HG       SER 108  15.828  -4.534  -0.392
  741    H    ASN 109           H        ASN 109  12.945  -8.110   0.703
  742    HA   ASN 109           HA       ASN 109  10.754  -8.252  -1.174
  743   1HB   ASN 109          1HB       ASN 109  10.980 -10.399  -0.500
  744   2HB   ASN 109          2HB       ASN 109  11.854  -9.937   0.953
  745   1HD2  ASN 109          1HD2      ASN 109   8.821 -10.804  -0.405
  746   2HD2  ASN 109          2HD2      ASN 109   7.932 -10.890   1.077
  747    H    TYR 110           H        TYR 110   8.673  -7.572  -0.827
  748    HA   TYR 110           HA       TYR 110   8.042  -6.484   1.809
  749   1HB   TYR 110          1HB       TYR 110   7.098  -4.469   0.954
  750   2HB   TYR 110          2HB       TYR 110   8.724  -4.603   0.304
  751    HD1  TYR 110           HD1      TYR 110   5.191  -4.399  -0.479
  752    HD2  TYR 110           HD2      TYR 110   9.041  -5.212  -2.096
  753    HE1  TYR 110           HE1      TYR 110   4.301  -4.068  -2.749
  754    HE2  TYR 110           HE2      TYR 110   8.162  -4.885  -4.369
  755    HH   TYR 110           HH       TYR 110   4.721  -4.236  -4.938
  756    H    SER 111           H        SER 111   6.235  -7.248   2.547
  757    HA   SER 111           HA       SER 111   4.236  -8.237   0.636
  758   1HB   SER 111          1HB       SER 111   3.712  -9.330   3.186
  759   2HB   SER 111          2HB       SER 111   4.335 -10.171   1.768
  760    HG   SER 111           HG       SER 111   6.219 -10.274   2.679
  761    H    LEU 112           H        LEU 112   2.998  -6.444   0.410
  762    HA   LEU 112           HA       LEU 112   2.010  -5.027   2.734
  763   1HB   LEU 112          1HB       LEU 112   1.979  -4.653  -0.174
  764   2HB   LEU 112          2HB       LEU 112   0.467  -4.218   0.598
  765    HG   LEU 112           HG       LEU 112   3.102  -3.135   1.556
  766   1HD1  LEU 112          1HD1      LEU 112   1.607  -1.221   0.055
  767   2HD1  LEU 112          2HD1      LEU 112   3.264  -1.776  -0.183
  768   3HD1  LEU 112          3HD1      LEU 112   1.928  -2.634  -0.953
  769   1HD2  LEU 112          1HD2      LEU 112   1.900  -1.891   2.972
  770   2HD2  LEU 112          2HD2      LEU 112   0.659  -1.547   1.767
  771   3HD2  LEU 112          3HD2      LEU 112   0.612  -3.061   2.671
  772    H    ASP 113           H        ASP 113   0.702  -6.296   3.943
  773    HA   ASP 113           HA       ASP 113  -1.277  -7.977   2.622
  774   1HB   ASP 113          1HB       ASP 113  -0.710  -7.658   5.583
  775   2HB   ASP 113          2HB       ASP 113  -1.745  -8.875   4.855
  776    H    ALA 114           H        ALA 114  -2.536  -6.249   1.777
  777    HA   ALA 114           HA       ALA 114  -4.667  -5.683   3.710
  778   1HB   ALA 114          1HB       ALA 114  -5.136  -3.560   2.423
  779   2HB   ALA 114          2HB       ALA 114  -3.660  -3.527   3.389
  780   3HB   ALA 114          3HB       ALA 114  -3.567  -3.768   1.644
  781    H    THR 115           H        THR 115  -6.590  -6.530   2.949
  782    HA   THR 115           HA       THR 115  -6.422  -7.584   0.214
  783    HB   THR 115           HB       THR 115  -5.875  -9.195   2.164
  784    HG1  THR 115           HG1      THR 115  -6.075 -10.116   0.208
  785   1HG2  THR 115          1HG2      THR 115  -8.434  -8.412   2.953
  786   2HG2  THR 115          2HG2      THR 115  -7.475  -9.742   3.613
  787   3HG2  THR 115          3HG2      THR 115  -8.628 -10.047   2.314
  788    H    VAL 116           H        VAL 116  -8.491  -8.580  -0.499
  789    HA   VAL 116           HA       VAL 116 -10.670  -6.679  -0.099
  790    HB   VAL 116           HB       VAL 116 -10.319  -6.872  -2.370
  791   1HG1  VAL 116          1HG1      VAL 116  -8.533  -8.530  -2.177
  792   2HG1  VAL 116          2HG1      VAL 116  -9.739  -9.814  -2.084
  793   3HG1  VAL 116          3HG1      VAL 116  -9.587  -8.853  -3.556
  794   1HG2  VAL 116          1HG2      VAL 116 -12.675  -7.660  -1.789
  795   2HG2  VAL 116          2HG2      VAL 116 -12.077  -7.998  -3.414
  796   3HG2  VAL 116          3HG2      VAL 116 -12.104  -9.278  -2.200
  797    H    HIS 117           H        HIS 117 -12.947  -7.650   0.011
  798    HA   HIS 117           HA       HIS 117 -12.977  -9.772   1.966
  799   1HB   HIS 117          1HB       HIS 117 -14.739  -7.680   1.205
  800   2HB   HIS 117          2HB       HIS 117 -15.604  -9.201   0.997
  801    HD1  HIS 117           HD1      HIS 117 -16.276 -10.481   3.096
  802    HD2  HIS 117           HD2      HIS 117 -13.935  -7.126   3.866
  803    HE1  HIS 117           HE1      HIS 117 -16.359 -10.149   5.592
  804    HE2  HIS 117           HE2      HIS 117 -15.115  -7.988   6.002
  805    H    ASP 118           H        ASP 118 -11.832 -11.055   0.121
  806    HA   ASP 118           HA       ASP 118 -13.902 -12.663  -1.236
  807   1HB   ASP 118          1HB       ASP 118 -12.312 -11.245  -2.697
  808   2HB   ASP 118          2HB       ASP 118 -11.065 -12.392  -2.222
  809    H    ASP 119           H        ASP 119 -11.008 -14.099  -1.814
  810    HA   ASP 119           HA       ASP 119 -10.303 -15.252   0.669
  811   1HB   ASP 119          1HB       ASP 119 -12.540 -16.353   0.313
  812   2HB   ASP 119          2HB       ASP 119 -11.881 -17.098  -1.140
  813    H    LYS 120           H        LYS 120  -8.283 -15.817   0.464
  814    HA   LYS 120           HA       LYS 120  -6.823 -17.565  -0.613
  815   1HB   LYS 120          1HB       LYS 120  -7.967 -16.412  -2.958
  816   2HB   LYS 120          2HB       LYS 120  -6.240 -16.083  -2.983
  817   1HG   LYS 120          1HG       LYS 120  -5.713 -18.401  -2.869
  818   2HG   LYS 120          2HG       LYS 120  -7.391 -18.825  -2.527
  819   1HD   LYS 120          1HD       LYS 120  -8.052 -18.058  -4.746
  820   2HD   LYS 120          2HD       LYS 120  -6.387 -17.583  -5.089
  821   1HE   LYS 120          1HE       LYS 120  -7.582 -20.315  -4.875
  822   2HE   LYS 120          2HE       LYS 120  -6.535 -19.647  -6.123
  823   1HZ   LYS 120          1HZ       LYS 120  -5.148 -21.071  -4.978
  824   2HZ   LYS 120          2HZ       LYS 120  -5.807 -20.690  -3.467
  825   3HZ   LYS 120          3HZ       LYS 120  -4.792 -19.580  -4.249
  826    H    GLU 121           H        GLU 121  -4.545 -16.760  -1.671
  827    HA   GLU 121           HA       GLU 121  -3.879 -14.157  -0.482
  828   1HB   GLU 121          1HB       GLU 121  -1.613 -15.938  -0.384
  829   2HB   GLU 121          2HB       GLU 121  -2.358 -15.020   0.912
  830   1HG   GLU 121          1HG       GLU 121  -2.640 -17.098   1.745
  831   2HG   GLU 121          2HG       GLU 121  -4.121 -16.988   0.797
  832    H    ASP 122           H        ASP 122  -4.065 -13.325  -2.637
  833    HA   ASP 122           HA       ASP 122  -1.727 -14.011  -4.291
  834   1HB   ASP 122          1HB       ASP 122  -4.312 -14.398  -5.080
  835   2HB   ASP 122          2HB       ASP 122  -3.990 -12.785  -5.716
  836    H    SER 123           H        SER 123  -1.592 -12.067  -6.052
  837    HA   SER 123           HA       SER 123  -1.318  -9.661  -4.375
  838   1HB   SER 123          1HB       SER 123   0.456 -10.485  -6.685
  839   2HB   SER 123          2HB       SER 123   0.704  -9.120  -5.595
  840    HG   SER 123           HG       SER 123   1.298 -11.776  -5.250
  841    H    ASP 124           H        ASP 124  -1.418  -7.619  -5.443
  842    HA   ASP 124           HA       ASP 124  -3.404  -7.564  -7.576
  843   1HB   ASP 124          1HB       ASP 124  -3.635  -6.155  -5.516
  844   2HB   ASP 124          2HB       ASP 124  -2.195  -5.273  -6.006
  845    H    VAL 125           H        VAL 125  -0.763  -5.277  -7.043
  846    HA   VAL 125           HA       VAL 125   0.265  -5.891  -9.736
  847    HB   VAL 125           HB       VAL 125   0.878  -3.195  -8.718
  848   1HG1  VAL 125          1HG1      VAL 125   1.379  -2.993 -10.863
  849   2HG1  VAL 125          2HG1      VAL 125   0.716  -4.595 -11.189
  850   3HG1  VAL 125          3HG1      VAL 125  -0.328  -3.175 -11.272
  851   1HG2  VAL 125          1HG2      VAL 125  -1.928  -3.745  -9.671
  852   2HG2  VAL 125          2HG2      VAL 125  -1.492  -3.484  -7.981
  853   3HG2  VAL 125          3HG2      VAL 125  -1.249  -2.198  -9.165
  854    H    LEU 126           H        LEU 126   2.630  -4.736  -9.821
  855    HA   LEU 126           HA       LEU 126   4.038  -5.494  -7.363
  856   1HB   LEU 126          1HB       LEU 126   4.678  -6.433 -10.157
  857   2HB   LEU 126          2HB       LEU 126   5.786  -6.583  -8.807
  858    HG   LEU 126           HG       LEU 126   3.112  -7.716  -8.331
  859   1HD1  LEU 126          1HD1      LEU 126   2.960  -8.858 -10.229
  860   2HD1  LEU 126          2HD1      LEU 126   4.577  -8.375 -10.738
  861   3HD1  LEU 126          3HD1      LEU 126   4.365  -9.776  -9.687
  862   1HD2  LEU 126          1HD2      LEU 126   4.981  -7.915  -6.759
  863   2HD2  LEU 126          2HD2      LEU 126   4.426  -9.489  -7.328
  864   3HD2  LEU 126          3HD2      LEU 126   5.907  -8.788  -7.980
  865    H    THR 127           H        THR 127   6.558  -5.239  -9.035
  866    HA   THR 127           HA       THR 127   7.088  -2.516  -8.357
  867    HB   THR 127           HB       THR 127   9.031  -3.949 -10.056
  868    HG1  THR 127           HG1      THR 127   9.071  -5.002  -7.526
  869   1HG2  THR 127          1HG2      THR 127   9.372  -1.841  -8.620
  870   2HG2  THR 127          2HG2      THR 127  10.604  -3.102  -8.541
  871   3HG2  THR 127          3HG2      THR 127   9.412  -2.948  -7.248
  872    H    LYS 128           H        LYS 128   5.355  -1.665  -9.868
  873    HA   LYS 128           HA       LYS 128   6.375  -1.417 -12.620
  874   1HB   LYS 128          1HB       LYS 128   4.085  -0.707 -13.221
  875   2HB   LYS 128          2HB       LYS 128   4.132  -2.319 -12.524
  876   1HG   LYS 128          1HG       LYS 128   2.418  -1.584 -11.289
  877   2HG   LYS 128          2HG       LYS 128   3.671  -0.815 -10.314
  878   1HD   LYS 128          1HD       LYS 128   2.246   0.957 -10.699
  879   2HD   LYS 128          2HD       LYS 128   3.395   1.144 -12.024
  880   1HE   LYS 128          1HE       LYS 128   1.542  -0.533 -13.119
  881   2HE   LYS 128          2HE       LYS 128   0.542   0.476 -12.076
  882   1HZ   LYS 128          1HZ       LYS 128   0.904   1.283 -14.428
  883   2HZ   LYS 128          2HZ       LYS 128   2.502   1.633 -13.975
  884   3HZ   LYS 128          3HZ       LYS 128   1.211   2.411 -13.198
  885    H    CYS 129           H        CYS 129   6.479   0.237  -9.800
  886    HA   CYS 129           HA       CYS 129   6.043   2.873 -11.028
  887   1HB   CYS 129          1HB       CYS 129   4.836   2.173  -8.865
  888   2HB   CYS 129          2HB       CYS 129   6.401   2.352  -8.079
  889    HA   PRO 130           HA       PRO 130  10.508   3.262 -10.534
  890   1HB   PRO 130          1HB       PRO 130  10.873   4.544 -12.919
  891   2HB   PRO 130          2HB       PRO 130  10.816   2.789 -12.755
  892   1HG   PRO 130          1HG       PRO 130   8.911   4.542 -14.045
  893   2HG   PRO 130          2HG       PRO 130   8.935   2.774 -14.005
  894   1HD   PRO 130          1HD       PRO 130   7.378   4.661 -12.370
  895   2HD   PRO 130          2HD       PRO 130   7.099   2.932 -12.670
  896    H    VAL 131           H        VAL 131   9.790   4.819  -8.800
  897    HA   VAL 131           HA       VAL 131   9.796   7.598  -9.764
  898    HB   VAL 131           HB       VAL 131   7.934   7.594  -8.449
  899   1HG1  VAL 131          1HG1      VAL 131   8.057   5.211  -7.909
  900   2HG1  VAL 131          2HG1      VAL 131   9.159   5.577  -6.582
  901   3HG1  VAL 131          3HG1      VAL 131   7.501   6.177  -6.541
  902   1HG2  VAL 131          1HG2      VAL 131   8.339   8.556  -6.280
  903   2HG2  VAL 131          2HG2      VAL 131   9.979   7.910  -6.256
  904   3HG2  VAL 131          3HG2      VAL 131   9.541   9.169  -7.415
  Start of MODEL    4
    1   1H    ARG  14          1H        ARG  14  -6.541 -14.705  11.407
    2    HA   ARG  14           HA       ARG  14  -6.931 -17.032   9.644
    3   1HB   ARG  14          1HB       ARG  14  -9.375 -16.677  10.783
    4   2HB   ARG  14          2HB       ARG  14  -8.141 -17.765  11.398
    5   1HG   ARG  14          1HG       ARG  14  -7.394 -15.550  12.670
    6   2HG   ARG  14          2HG       ARG  14  -9.109 -15.186  12.467
    7   1HD   ARG  14          1HD       ARG  14  -8.910 -16.288  14.551
    8   2HD   ARG  14          2HD       ARG  14  -9.583 -17.472  13.431
    9    HE   ARG  14           HE       ARG  14  -7.629 -18.697  13.561
   10   1HH1  ARG  14          1HH1      ARG  14  -7.308 -15.684  15.299
   11   2HH1  ARG  14          2HH1      ARG  14  -5.776 -16.098  16.009
   12   1HH2  ARG  14          1HH2      ARG  14  -5.635 -19.263  14.488
   13   2HH2  ARG  14          2HH2      ARG  14  -4.825 -18.154  15.556
   14    H    ILE  15           H        ILE  15  -6.399 -14.436   8.640
   15    HA   ILE  15           HA       ILE  15  -8.946 -13.506   7.568
   16    HB   ILE  15           HB       ILE  15  -6.471 -12.354   6.454
   17   1HG1  ILE  15          1HG1      ILE  15  -6.959 -11.151   9.057
   18   2HG1  ILE  15          2HG1      ILE  15  -6.456 -12.834   9.204
   19   1HG2  ILE  15          1HG2      ILE  15  -7.793 -10.586   6.134
   20   2HG2  ILE  15          2HG2      ILE  15  -9.115 -11.663   6.582
   21   3HG2  ILE  15          3HG2      ILE  15  -8.386 -10.607   7.794
   22   1HD1  ILE  15          1HD1      ILE  15  -4.838 -11.389   7.289
   23   2HD1  ILE  15          2HD1      ILE  15  -4.809 -10.642   8.887
   24   3HD1  ILE  15          3HD1      ILE  15  -4.356 -12.335   8.697
   25    HA   PRO  16           HA       PRO  16  -8.197 -16.546   4.347
   26   1HB   PRO  16          1HB       PRO  16 -10.800 -15.659   3.326
   27   2HB   PRO  16          2HB       PRO  16 -10.309 -17.254   3.901
   28   1HG   PRO  16          1HG       PRO  16 -12.001 -15.677   5.289
   29   2HG   PRO  16          2HG       PRO  16 -10.864 -16.781   6.084
   30   1HD   PRO  16          1HD       PRO  16 -10.674 -13.821   5.688
   31   2HD   PRO  16          2HD       PRO  16 -10.233 -14.800   7.103
   32    H    ASN  17           H        ASN  17  -9.801 -13.460   3.531
   33    HA   ASN  17           HA       ASN  17  -8.217 -13.446   1.051
   34   1HB   ASN  17          1HB       ASN  17 -10.660 -13.627   0.702
   35   2HB   ASN  17          2HB       ASN  17 -10.871 -12.097   1.545
   36   1HD2  ASN  17          1HD2      ASN  17 -10.683 -10.261   0.434
   37   2HD2  ASN  17          2HD2      ASN  17 -10.212 -10.155  -1.228
   38    H    ILE  18           H        ILE  18  -6.486 -12.297   1.604
   39    HA   ILE  18           HA       ILE  18  -6.954  -9.476   2.259
   40    HB   ILE  18           HB       ILE  18  -6.148 -10.196   4.325
   41   1HG1  ILE  18          1HG1      ILE  18  -3.575  -9.544   2.873
   42   2HG1  ILE  18          2HG1      ILE  18  -4.775  -8.340   3.330
   43   1HG2  ILE  18          1HG2      ILE  18  -4.990 -12.068   4.738
   44   2HG2  ILE  18          2HG2      ILE  18  -5.362 -12.457   3.058
   45   3HG2  ILE  18          3HG2      ILE  18  -3.805 -11.737   3.473
   46   1HD1  ILE  18          1HD1      ILE  18  -2.882  -8.474   4.896
   47   2HD1  ILE  18          2HD1      ILE  18  -4.432  -8.818   5.664
   48   3HD1  ILE  18          3HD1      ILE  18  -3.333 -10.138   5.264
   49    H    ALA  19           H        ALA  19  -5.933  -8.108   0.903
   50    HA   ALA  19           HA       ALA  19  -4.599  -9.231  -1.370
   51   1HB   ALA  19          1HB       ALA  19  -4.363  -6.751  -1.984
   52   2HB   ALA  19          2HB       ALA  19  -5.986  -7.437  -1.898
   53   3HB   ALA  19          3HB       ALA  19  -5.372  -6.453  -0.567
   54    H    THR  20           H        THR  20  -2.741 -10.162  -0.421
   55    HA   THR  20           HA       THR  20  -0.795  -8.325   0.717
   56    HB   THR  20           HB       THR  20  -0.991 -10.370   1.941
   57    HG1  THR  20           HG1      THR  20   1.095  -9.889   2.031
   58   1HG2  THR  20          1HG2      THR  20  -0.095 -12.489   0.512
   59   2HG2  THR  20          2HG2      THR  20  -1.000 -11.618  -0.726
   60   3HG2  THR  20          3HG2      THR  20  -1.802 -12.115   0.763
   61    H    TYR  21           H        TYR  21   0.369  -7.225  -0.657
   62    HA   TYR  21           HA       TYR  21   1.101  -8.359  -3.240
   63   1HB   TYR  21          1HB       TYR  21   2.031  -5.672  -2.287
   64   2HB   TYR  21          2HB       TYR  21   1.640  -6.197  -3.920
   65    HD1  TYR  21           HD1      TYR  21  -0.949  -6.910  -4.187
   66    HD2  TYR  21           HD2      TYR  21   0.583  -4.196  -1.291
   67    HE1  TYR  21           HE1      TYR  21  -3.173  -5.878  -3.982
   68    HE2  TYR  21           HE2      TYR  21  -1.637  -3.165  -1.072
   69    HH   TYR  21           HH       TYR  21  -4.154  -3.722  -3.283
   70    H    THR  22           H        THR  22   2.407 -10.015  -2.274
   71    HA   THR  22           HA       THR  22   4.826  -9.259  -0.889
   72    HB   THR  22           HB       THR  22   4.595 -11.980  -2.009
   73    HG1  THR  22           HG1      THR  22   2.684 -10.894  -0.191
   74   1HG2  THR  22          1HG2      THR  22   4.931 -12.374   0.574
   75   2HG2  THR  22          2HG2      THR  22   5.400 -10.673   0.549
   76   3HG2  THR  22          3HG2      THR  22   6.274 -11.845  -0.439
   77    H    GLY  23           H        GLY  23   5.735  -7.864  -2.502
   78   1HA   GLY  23          1HA       GLY  23   6.756  -9.290  -4.881
   79   2HA   GLY  23          2HA       GLY  23   6.224  -7.615  -4.924
   80    H    THR  24           H        THR  24   8.666  -8.189  -5.875
   81    HA   THR  24           HA       THR  24  10.610  -7.577  -3.795
   82    HB   THR  24           HB       THR  24  11.810  -7.554  -6.364
   83    HG1  THR  24           HG1      THR  24  10.411  -9.987  -6.090
   84   1HG2  THR  24          1HG2      THR  24  13.268  -8.658  -5.090
   85   2HG2  THR  24          2HG2      THR  24  12.213 -10.071  -5.148
   86   3HG2  THR  24          3HG2      THR  24  12.043  -8.897  -3.842
   87    H    ILE  25           H        ILE  25  11.583  -5.608  -3.580
   88    HA   ILE  25           HA       ILE  25  10.753  -3.498  -5.458
   89    HB   ILE  25           HB       ILE  25  10.082  -3.394  -2.938
   90   1HG1  ILE  25          1HG1      ILE  25  10.400  -1.524  -4.948
   91   2HG1  ILE  25          2HG1      ILE  25   9.513  -1.292  -3.448
   92   1HG2  ILE  25          1HG2      ILE  25  12.981  -2.692  -2.830
   93   2HG2  ILE  25          2HG2      ILE  25  11.836  -1.989  -1.689
   94   3HG2  ILE  25          3HG2      ILE  25  12.041  -3.740  -1.768
   95   1HD1  ILE  25          1HD1      ILE  25  12.427  -0.637  -3.799
   96   2HD1  ILE  25          2HD1      ILE  25  11.115   0.522  -4.008
   97   3HD1  ILE  25          3HD1      ILE  25  11.392  -0.223  -2.432
   98    H    GLN  26           H        GLN  26  12.285  -1.909  -6.026
   99    HA   GLN  26           HA       GLN  26  14.831  -3.023  -6.615
  100   1HB   GLN  26          1HB       GLN  26  14.563  -0.118  -6.957
  101   2HB   GLN  26          2HB       GLN  26  15.004  -1.357  -8.126
  102   1HG   GLN  26          1HG       GLN  26  12.182  -0.870  -7.213
  103   2HG   GLN  26          2HG       GLN  26  12.901  -0.099  -8.625
  104   1HE2  GLN  26          1HE2      GLN  26  14.196  -1.921  -9.939
  105   2HE2  GLN  26          2HE2      GLN  26  13.199  -3.265 -10.376
  106    H    GLY  27           H        GLY  27  16.858  -2.470  -5.875
  107   1HA   GLY  27          1HA       GLY  27  17.082  -1.536  -3.200
  108   2HA   GLY  27          2HA       GLY  27  18.417  -1.816  -4.312
  109    H    LYS  28           H        LYS  28  17.281   0.428  -2.415
  110    HA   LYS  28           HA       LYS  28  17.232   2.684  -2.285
  111   1HB   LYS  28          1HB       LYS  28  19.627   2.033  -3.364
  112   2HB   LYS  28          2HB       LYS  28  18.999   3.090  -4.620
  113   1HG   LYS  28          1HG       LYS  28  20.393   4.262  -2.953
  114   2HG   LYS  28          2HG       LYS  28  18.751   4.895  -3.057
  115   1HD   LYS  28          1HD       LYS  28  18.772   2.820  -1.120
  116   2HD   LYS  28          2HD       LYS  28  20.130   3.896  -0.782
  117   1HE   LYS  28          1HE       LYS  28  17.969   5.564  -1.399
  118   2HE   LYS  28          2HE       LYS  28  17.315   4.306  -0.350
  119   1HZ   LYS  28          1HZ       LYS  28  18.205   5.355   1.361
  120   2HZ   LYS  28          2HZ       LYS  28  18.885   6.529   0.349
  121   3HZ   LYS  28          3HZ       LYS  28  19.758   5.123   0.724
  122    H    GLY  29           H        GLY  29  14.988   2.243  -3.187
  123   1HA   GLY  29          1HA       GLY  29  14.476   4.230  -5.189
  124   2HA   GLY  29          2HA       GLY  29  14.149   2.596  -5.751
  125    H    GLU  30           H        GLU  30  12.068   4.103  -5.844
  126    HA   GLU  30           HA       GLU  30  10.406   3.283  -3.580
  127   1HB   GLU  30          1HB       GLU  30  10.517   6.102  -4.676
  128   2HB   GLU  30          2HB       GLU  30   9.322   5.516  -3.527
  129   1HG   GLU  30          1HG       GLU  30  10.857   5.355  -1.809
  130   2HG   GLU  30          2HG       GLU  30  12.233   5.312  -2.909
  131    H    VAL  31           H        VAL  31   8.499   2.471  -4.262
  132    HA   VAL  31           HA       VAL  31   7.816   2.920  -7.093
  133    HB   VAL  31           HB       VAL  31   6.496   0.746  -6.870
  134   1HG1  VAL  31          1HG1      VAL  31   8.796   1.134  -7.963
  135   2HG1  VAL  31          2HG1      VAL  31   9.435   0.293  -6.549
  136   3HG1  VAL  31          3HG1      VAL  31   8.290  -0.520  -7.615
  137   1HG2  VAL  31          1HG2      VAL  31   8.266   0.435  -4.448
  138   2HG2  VAL  31          2HG2      VAL  31   6.509   0.586  -4.435
  139   3HG2  VAL  31          3HG2      VAL  31   7.266  -0.829  -5.165
  140    H    CYS  32           H        CYS  32   5.514   2.746  -7.633
  141    HA   CYS  32           HA       CYS  32   3.897   4.060  -5.564
  142   1HB   CYS  32          1HB       CYS  32   2.736   5.215  -7.391
  143   2HB   CYS  32          2HB       CYS  32   4.461   5.545  -7.432
  144    H    ILE  33           H        ILE  33   2.549   2.605  -4.723
  145    HA   ILE  33           HA       ILE  33   1.219   0.702  -6.522
  146    HB   ILE  33           HB       ILE  33   1.133   0.702  -3.502
  147   1HG1  ILE  33          1HG1      ILE  33   3.461   0.460  -4.300
  148   2HG1  ILE  33          2HG1      ILE  33   2.866  -1.012  -3.544
  149   1HG2  ILE  33          1HG2      ILE  33  -0.376  -0.668  -5.378
  150   2HG2  ILE  33          2HG2      ILE  33   0.837  -1.838  -4.861
  151   3HG2  ILE  33          3HG2      ILE  33  -0.208  -1.066  -3.668
  152   1HD1  ILE  33          1HD1      ILE  33   4.232  -1.145  -5.736
  153   2HD1  ILE  33          2HD1      ILE  33   2.807  -2.167  -5.538
  154   3HD1  ILE  33          3HD1      ILE  33   2.710  -0.697  -6.508
  155    H    ILE  34           H        ILE  34  -0.500   1.685  -7.402
  156    HA   ILE  34           HA       ILE  34  -2.190   3.417  -5.798
  157    HB   ILE  34           HB       ILE  34  -3.530   3.230  -8.139
  158   1HG1  ILE  34          1HG1      ILE  34  -0.784   3.352  -9.231
  159   2HG1  ILE  34          2HG1      ILE  34  -1.334   1.752  -8.745
  160   1HG2  ILE  34          1HG2      ILE  34  -2.799   5.384  -8.548
  161   2HG2  ILE  34          2HG2      ILE  34  -2.469   5.198  -6.825
  162   3HG2  ILE  34          3HG2      ILE  34  -1.159   5.042  -7.995
  163   1HD1  ILE  34          1HD1      ILE  34  -3.464   2.749 -10.174
  164   2HD1  ILE  34          2HD1      ILE  34  -2.057   3.346 -11.052
  165   3HD1  ILE  34          3HD1      ILE  34  -2.247   1.618 -10.762
  166    H    GLY  35           H        GLY  35  -3.830   2.666  -4.659
  167   1HA   GLY  35          1HA       GLY  35  -4.991   0.062  -5.410
  168   2HA   GLY  35          2HA       GLY  35  -4.986   0.726  -3.781
  169    H    ASN  36           H        ASN  36  -6.769   1.753  -3.108
  170    HA   ASN  36           HA       ASN  36  -8.817   2.367  -5.124
  171   1HB   ASN  36          1HB       ASN  36  -9.199   0.797  -3.040
  172   2HB   ASN  36          2HB       ASN  36  -9.396   2.324  -2.184
  173   1HD2  ASN  36          1HD2      ASN  36 -11.260   0.073  -3.009
  174   2HD2  ASN  36          2HD2      ASN  36 -12.593   0.888  -3.745
  175    H    LYS  37           H        LYS  37  -9.964   4.330  -5.011
  176    HA   LYS  37           HA       LYS  37  -8.384   6.506  -3.822
  177   1HB   LYS  37          1HB       LYS  37  -9.935   7.835  -5.535
  178   2HB   LYS  37          2HB       LYS  37  -8.430   7.078  -6.036
  179   1HG   LYS  37          1HG       LYS  37  -9.603   6.040  -7.604
  180   2HG   LYS  37          2HG       LYS  37 -10.321   5.071  -6.317
  181   1HD   LYS  37          1HD       LYS  37 -11.724   7.503  -6.327
  182   2HD   LYS  37          2HD       LYS  37 -11.549   7.036  -8.020
  183   1HE   LYS  37          1HE       LYS  37 -12.310   4.700  -7.197
  184   2HE   LYS  37          2HE       LYS  37 -12.893   5.571  -5.781
  185   1HZ   LYS  37          1HZ       LYS  37 -13.653   6.653  -8.378
  186   2HZ   LYS  37          2HZ       LYS  37 -14.552   6.537  -6.940
  187   3HZ   LYS  37          3HZ       LYS  37 -14.362   5.175  -7.936
  188    H    GLU  38           H        GLU  38 -11.663   5.223  -4.154
  189    HA   GLU  38           HA       GLU  38 -12.574   6.755  -1.902
  190   1HB   GLU  38          1HB       GLU  38 -13.037   8.567  -3.204
  191   2HB   GLU  38          2HB       GLU  38 -13.126   7.620  -4.679
  192   1HG   GLU  38          1HG       GLU  38 -15.346   6.820  -3.232
  193   2HG   GLU  38          2HG       GLU  38 -15.238   8.557  -2.941
  194    H    GLY  39           H        GLY  39 -13.907   5.486  -0.828
  195   1HA   GLY  39          1HA       GLY  39 -15.302   3.321  -2.208
  196   2HA   GLY  39          2HA       GLY  39 -15.188   3.545  -0.466
  197    H    LYS  40           H        LYS  40 -16.279   5.632   0.303
  198    HA   LYS  40           HA       LYS  40 -18.170   6.807   0.684
  199   1HB   LYS  40          1HB       LYS  40 -17.541   7.207  -2.024
  200   2HB   LYS  40          2HB       LYS  40 -19.278   6.943  -1.969
  201   1HG   LYS  40          1HG       LYS  40 -19.415   9.118  -1.511
  202   2HG   LYS  40          2HG       LYS  40 -18.897   8.670   0.115
  203   1HD   LYS  40          1HD       LYS  40 -17.155  10.026  -0.184
  204   2HD   LYS  40          2HD       LYS  40 -16.535   8.843  -1.335
  205   1HE   LYS  40          1HE       LYS  40 -16.525  10.860  -2.513
  206   2HE   LYS  40          2HE       LYS  40 -17.982  10.034  -3.067
  207   1HZ   LYS  40          1HZ       LYS  40 -18.225  12.455  -2.508
  208   2HZ   LYS  40          2HZ       LYS  40 -18.011  12.038  -0.879
  209   3HZ   LYS  40          3HZ       LYS  40 -19.332  11.420  -1.744
  210    H    THR  41           H        THR  41 -19.443   5.499   1.845
  211    HA   THR  41           HA       THR  41 -21.023   3.978   2.429
  212    HB   THR  41           HB       THR  41 -22.518   3.887  -0.073
  213    HG1  THR  41           HG1      THR  41 -21.633   5.936  -0.422
  214   1HG2  THR  41          1HG2      THR  41 -22.948   4.288   2.800
  215   2HG2  THR  41          2HG2      THR  41 -23.944   3.451   1.610
  216   3HG2  THR  41          3HG2      THR  41 -24.048   5.204   1.769
  217    H    ARG  42           H        ARG  42 -18.636   3.031   1.168
  218    HA   ARG  42           HA       ARG  42 -19.414   0.325   0.674
  219   1HB   ARG  42          1HB       ARG  42 -19.452   1.821  -1.585
  220   2HB   ARG  42          2HB       ARG  42 -17.757   1.358  -1.557
  221   1HG   ARG  42          1HG       ARG  42 -18.227  -0.887  -1.801
  222   2HG   ARG  42          2HG       ARG  42 -19.883  -0.708  -1.214
  223   1HD   ARG  42          1HD       ARG  42 -18.768   0.188  -3.868
  224   2HD   ARG  42          2HD       ARG  42 -19.956  -1.082  -3.581
  225    HE   ARG  42           HE       ARG  42 -21.398   0.818  -2.705
  226   1HH1  ARG  42          1HH1      ARG  42 -19.014   1.218  -5.245
  227   2HH1  ARG  42          2HH1      ARG  42 -19.820   2.592  -5.948
  228   1HH2  ARG  42          1HH2      ARG  42 -22.458   2.596  -3.624
  229   2HH2  ARG  42          2HH2      ARG  42 -21.789   3.367  -5.036
  230    H    GLY  43           H        GLY  43 -17.321  -0.962   0.083
  231   1HA   GLY  43          1HA       GLY  43 -15.378  -0.261   2.076
  232   2HA   GLY  43          2HA       GLY  43 -15.357  -1.689   1.054
  233    H    GLY  44           H        GLY  44 -13.687   0.981   1.807
  234   1HA   GLY  44          1HA       GLY  44 -12.113   0.761  -0.649
  235   2HA   GLY  44          2HA       GLY  44 -12.729   2.361  -0.245
  236    H    GLU  45           H        GLU  45 -11.534   3.597   1.034
  237    HA   GLU  45           HA       GLU  45 -10.033   4.306   2.577
  238   1HB   GLU  45          1HB       GLU  45 -10.318   1.627   3.918
  239   2HB   GLU  45          2HB       GLU  45  -9.977   3.185   4.660
  240   1HG   GLU  45          1HG       GLU  45 -12.133   3.376   5.098
  241   2HG   GLU  45          2HG       GLU  45 -12.435   3.493   3.364
  242    H    LEU  46           H        LEU  46  -8.099   2.963   4.092
  243    HA   LEU  46           HA       LEU  46  -6.363   1.594   2.208
  244   1HB   LEU  46          1HB       LEU  46  -5.564   4.226   3.464
  245   2HB   LEU  46          2HB       LEU  46  -4.536   3.199   2.485
  246    HG   LEU  46           HG       LEU  46  -6.772   3.730   0.885
  247   1HD1  LEU  46          1HD1      LEU  46  -7.520   5.529   2.221
  248   2HD1  LEU  46          2HD1      LEU  46  -5.880   6.143   2.440
  249   3HD1  LEU  46          3HD1      LEU  46  -6.659   6.256   0.863
  250   1HD2  LEU  46          1HD2      LEU  46  -4.130   3.628   0.559
  251   2HD2  LEU  46          2HD2      LEU  46  -5.199   4.413  -0.604
  252   3HD2  LEU  46          3HD2      LEU  46  -4.331   5.380   0.590
  253    H    TYR  47           H        TYR  47  -6.210  -0.152   3.593
  254    HA   TYR  47           HA       TYR  47  -4.680   0.376   6.047
  255   1HB   TYR  47          1HB       TYR  47  -6.777  -0.260   6.919
  256   2HB   TYR  47          2HB       TYR  47  -7.020  -1.484   5.676
  257    HD1  TYR  47           HD1      TYR  47  -6.760  -3.683   6.302
  258    HD2  TYR  47           HD2      TYR  47  -4.582  -0.698   8.407
  259    HE1  TYR  47           HE1      TYR  47  -5.839  -5.410   7.788
  260    HE2  TYR  47           HE2      TYR  47  -3.655  -2.416   9.899
  261    HH   TYR  47           HH       TYR  47  -3.510  -5.496   9.275
  262    H    ALA  48           H        ALA  48  -2.744  -0.559   5.997
  263    HA   ALA  48           HA       ALA  48  -2.413  -3.196   4.837
  264   1HB   ALA  48          1HB       ALA  48  -1.819  -2.400   2.835
  265   2HB   ALA  48          2HB       ALA  48  -1.599  -0.762   3.448
  266   3HB   ALA  48          3HB       ALA  48  -0.307  -1.952   3.623
  267    H    VAL  49           H        VAL  49  -0.824  -4.333   5.795
  268    HA   VAL  49           HA       VAL  49   1.072  -2.882   7.525
  269    HB   VAL  49           HB       VAL  49   0.086  -4.454   8.946
  270   1HG1  VAL  49          1HG1      VAL  49   0.289  -6.849   7.260
  271   2HG1  VAL  49          2HG1      VAL  49  -0.989  -6.330   8.359
  272   3HG1  VAL  49          3HG1      VAL  49  -0.888  -5.643   6.739
  273   1HG2  VAL  49          1HG2      VAL  49   2.148  -6.375   8.045
  274   2HG2  VAL  49          2HG2      VAL  49   2.700  -4.753   8.459
  275   3HG2  VAL  49          3HG2      VAL  49   1.832  -5.721   9.651
  276    H    LEU  50           H        LEU  50   3.280  -3.021   7.070
  277    HA   LEU  50           HA       LEU  50   3.889  -4.631   4.696
  278   1HB   LEU  50          1HB       LEU  50   4.324  -1.916   5.144
  279   2HB   LEU  50          2HB       LEU  50   5.895  -2.650   5.400
  280    HG   LEU  50           HG       LEU  50   4.230  -2.647   2.894
  281   1HD1  LEU  50          1HD1      LEU  50   6.910  -2.122   2.351
  282   2HD1  LEU  50          2HD1      LEU  50   5.588  -0.957   2.409
  283   3HD1  LEU  50          3HD1      LEU  50   6.569  -1.248   3.845
  284   1HD2  LEU  50          1HD2      LEU  50   6.747  -4.244   3.258
  285   2HD2  LEU  50          2HD2      LEU  50   5.138  -4.941   3.441
  286   3HD2  LEU  50          3HD2      LEU  50   5.629  -4.255   1.894
  287    H    HIS  51           H        HIS  51   5.352  -6.156   4.840
  288    HA   HIS  51           HA       HIS  51   6.854  -6.440   7.356
  289   1HB   HIS  51          1HB       HIS  51   6.253  -8.656   5.387
  290   2HB   HIS  51          2HB       HIS  51   6.908  -8.818   7.009
  291    HD1  HIS  51           HD1      HIS  51   5.276  -9.338   8.797
  292    HD2  HIS  51           HD2      HIS  51   3.446  -7.812   5.396
  293    HE1  HIS  51           HE1      HIS  51   2.801  -9.574   9.193
  294    HE2  HIS  51           HE2      HIS  51   1.752  -8.933   6.987
  295    H    SER  52           H        SER  52   8.869  -5.809   7.091
  296    HA   SER  52           HA       SER  52  10.176  -5.940   4.519
  297   1HB   SER  52          1HB       SER  52  10.643  -4.642   7.109
  298   2HB   SER  52          2HB       SER  52  12.114  -5.225   6.336
  299    HG   SER  52           HG       SER  52  10.210  -3.359   5.360
  300    H    THR  53           H        THR  53  10.212  -8.203   4.162
  301    HA   THR  53           HA       THR  53  11.468  -9.929   6.123
  302    HB   THR  53           HB       THR  53  10.999 -11.584   4.072
  303    HG1  THR  53           HG1      THR  53  10.257  -9.750   2.769
  304   1HG2  THR  53          1HG2      THR  53   8.517 -11.517   5.093
  305   2HG2  THR  53          2HG2      THR  53   9.360 -10.552   6.307
  306   3HG2  THR  53          3HG2      THR  53   9.895 -12.196   5.959
  307    H    ASN  54           H        ASN  54  13.530  -8.614   5.775
  308    HA   ASN  54           HA       ASN  54  15.305 -10.179   4.137
  309   1HB   ASN  54          1HB       ASN  54  16.055  -7.518   3.471
  310   2HB   ASN  54          2HB       ASN  54  15.558  -8.806   2.387
  311   1HD2  ASN  54          1HD2      ASN  54  14.284  -6.226   4.441
  312   2HD2  ASN  54          2HD2      ASN  54  12.918  -5.880   3.444
  313    H    VAL  55           H        VAL  55  17.600  -9.321   4.358
  314    HA   VAL  55           HA       VAL  55  18.540  -9.162   6.922
  315    HB   VAL  55           HB       VAL  55  20.312  -7.500   5.640
  316   1HG1  VAL  55          1HG1      VAL  55  21.687  -9.236   5.985
  317   2HG1  VAL  55          2HG1      VAL  55  20.276 -10.063   6.646
  318   3HG1  VAL  55          3HG1      VAL  55  20.734 -10.309   4.959
  319   1HG2  VAL  55          1HG2      VAL  55  20.386  -8.967   3.366
  320   2HG2  VAL  55          2HG2      VAL  55  18.646  -8.810   3.610
  321   3HG2  VAL  55          3HG2      VAL  55  19.653  -7.365   3.504
  322    H    ASN  56           H        ASN  56  18.668  -6.361   4.835
  323    HA   ASN  56           HA       ASN  56  18.675  -4.547   7.057
  324   1HB   ASN  56          1HB       ASN  56  20.065  -4.333   4.956
  325   2HB   ASN  56          2HB       ASN  56  18.581  -3.935   4.099
  326   1HD2  ASN  56          1HD2      ASN  56  18.016  -1.968   3.982
  327   2HD2  ASN  56          2HD2      ASN  56  18.668  -0.648   4.896
  328    H    ALA  57           H        ALA  57  16.509  -5.294   7.757
  329    HA   ALA  57           HA       ALA  57  14.230  -4.577   6.160
  330   1HB   ALA  57          1HB       ALA  57  13.954  -6.450   7.569
  331   2HB   ALA  57          2HB       ALA  57  14.522  -5.562   8.985
  332   3HB   ALA  57          3HB       ALA  57  12.965  -5.163   8.257
  333    H    ASP  58           H        ASP  58  15.381  -2.352   6.056
  334    HA   ASP  58           HA       ASP  58  14.197  -0.618   8.124
  335   1HB   ASP  58          1HB       ASP  58  16.819  -0.785   7.754
  336   2HB   ASP  58          2HB       ASP  58  16.472   0.311   6.423
  337    H    MET  59           H        MET  59  12.418  -1.218   6.363
  338    HA   MET  59           HA       MET  59  12.593   0.743   4.165
  339   1HB   MET  59          1HB       MET  59  12.271  -1.851   3.800
  340   2HB   MET  59          2HB       MET  59  10.608  -1.501   4.238
  341   1HG   MET  59          1HG       MET  59  10.183  -0.390   2.307
  342   2HG   MET  59          2HG       MET  59  11.842   0.185   2.145
  343   1HE   MET  59          1HE       MET  59  11.546  -4.313   1.709
  344   2HE   MET  59          2HE       MET  59  11.412  -3.323   3.165
  345   3HE   MET  59          3HE       MET  59  10.013  -3.541   2.113
  346    H    THR  60           H        THR  60  10.457   1.800   3.660
  347    HA   THR  60           HA       THR  60   8.652   1.820   5.960
  348    HB   THR  60           HB       THR  60   8.891   4.517   5.096
  349    HG1  THR  60           HG1      THR  60  11.284   3.107   5.295
  350   1HG2  THR  60          1HG2      THR  60   9.978   3.413   7.670
  351   2HG2  THR  60          2HG2      THR  60   8.242   3.457   7.355
  352   3HG2  THR  60          3HG2      THR  60   9.175   4.953   7.378
  353    H    LEU  61           H        LEU  61   6.609   1.615   5.312
  354    HA   LEU  61           HA       LEU  61   5.876   2.253   2.585
  355   1HB   LEU  61          1HB       LEU  61   4.061   0.948   2.912
  356   2HB   LEU  61          2HB       LEU  61   4.946   0.375   4.308
  357    HG   LEU  61           HG       LEU  61   3.656   2.337   5.530
  358   1HD1  LEU  61          1HD1      LEU  61   1.635   2.981   4.648
  359   2HD1  LEU  61          2HD1      LEU  61   2.658   2.955   3.212
  360   3HD1  LEU  61          3HD1      LEU  61   1.560   1.613   3.537
  361   1HD2  LEU  61          1HD2      LEU  61   3.083  -0.462   5.022
  362   2HD2  LEU  61          2HD2      LEU  61   2.998   0.459   6.524
  363   3HD2  LEU  61          3HD2      LEU  61   1.634   0.470   5.407
  364    H    ILE  62           H        ILE  62   4.684   4.017   1.954
  365    HA   ILE  62           HA       ILE  62   4.095   5.929   4.096
  366    HB   ILE  62           HB       ILE  62   5.710   7.256   3.377
  367   1HG1  ILE  62          1HG1      ILE  62   4.031   7.473   0.872
  368   2HG1  ILE  62          2HG1      ILE  62   3.893   8.461   2.324
  369   1HG2  ILE  62          1HG2      ILE  62   7.274   6.654   1.852
  370   2HG2  ILE  62          2HG2      ILE  62   6.456   5.103   2.042
  371   3HG2  ILE  62          3HG2      ILE  62   6.085   6.132   0.659
  372   1HD1  ILE  62          1HD1      ILE  62   5.539   9.812   1.693
  373   2HD1  ILE  62          2HD1      ILE  62   6.556   8.476   1.150
  374   3HD1  ILE  62          3HD1      ILE  62   5.298   9.114   0.091
  375    H    LEU  63           H        LEU  63   2.142   6.532   4.186
  376    HA   LEU  63           HA       LEU  63   0.270   6.159   2.003
  377   1HB   LEU  63          1HB       LEU  63   0.002   5.929   4.657
  378   2HB   LEU  63          2HB       LEU  63  -0.458   7.610   4.493
  379    HG   LEU  63           HG       LEU  63  -1.892   5.159   3.754
  380   1HD1  LEU  63          1HD1      LEU  63  -3.043   7.871   4.270
  381   2HD1  LEU  63          2HD1      LEU  63  -3.737   6.282   4.600
  382   3HD1  LEU  63          3HD1      LEU  63  -2.401   6.882   5.583
  383   1HD2  LEU  63          1HD2      LEU  63  -1.639   5.896   1.527
  384   2HD2  LEU  63          2HD2      LEU  63  -3.245   6.421   2.037
  385   3HD2  LEU  63          3HD2      LEU  63  -1.919   7.579   1.974
  386    H    LEU  64           H        LEU  64   0.502   7.671   0.433
  387    HA   LEU  64           HA       LEU  64   0.332  10.466   1.309
  388   1HB   LEU  64          1HB       LEU  64   2.437  10.793   0.674
  389   2HB   LEU  64          2HB       LEU  64   2.543   9.194  -0.031
  390    HG   LEU  64           HG       LEU  64   1.135  10.525  -1.953
  391   1HD1  LEU  64          1HD1      LEU  64   3.271  12.484  -1.310
  392   2HD1  LEU  64          2HD1      LEU  64   1.761  12.703  -2.194
  393   3HD1  LEU  64          3HD1      LEU  64   1.746  12.606  -0.433
  394   1HD2  LEU  64          1HD2      LEU  64   3.390   9.118  -1.818
  395   2HD2  LEU  64          2HD2      LEU  64   2.943  10.066  -3.236
  396   3HD2  LEU  64          3HD2      LEU  64   4.084  10.721  -2.064
  397    H    ARG  65           H        ARG  65  -0.527  11.925  -0.264
  398    HA   ARG  65           HA       ARG  65  -1.607  10.798  -2.714
  399   1HB   ARG  65          1HB       ARG  65  -3.609  12.566  -1.906
  400   2HB   ARG  65          2HB       ARG  65  -3.729  10.815  -1.994
  401   1HG   ARG  65          1HG       ARG  65  -4.464  11.281   0.142
  402   2HG   ARG  65          2HG       ARG  65  -2.781  10.831   0.393
  403   1HD   ARG  65          1HD       ARG  65  -3.647  12.869   1.649
  404   2HD   ARG  65          2HD       ARG  65  -2.128  13.052   0.775
  405    HE   ARG  65           HE       ARG  65  -3.903  13.924  -1.032
  406   1HH1  ARG  65          1HH1      ARG  65  -3.528  14.673   2.365
  407   2HH1  ARG  65          2HH1      ARG  65  -4.111  16.302   2.204
  408   1HH2  ARG  65          1HH2      ARG  65  -4.651  16.038  -1.270
  409   2HH2  ARG  65          2HH2      ARG  65  -4.752  17.084   0.110
  410    H    ASN  66           H        ASN  66  -0.381  12.005  -4.046
  411    HA   ASN  66           HA       ASN  66  -0.979  14.864  -3.983
  412   1HB   ASN  66          1HB       ASN  66   1.222  15.534  -4.531
  413   2HB   ASN  66          2HB       ASN  66   1.392  14.414  -3.189
  414   1HD2  ASN  66          1HD2      ASN  66   1.796  14.815  -6.653
  415   2HD2  ASN  66          2HD2      ASN  66   2.911  13.504  -6.865
  416    H    VAL  67           H        VAL  67  -1.314  15.800  -5.951
  417    HA   VAL  67           HA       VAL  67  -0.697  14.408  -8.367
  418    HB   VAL  67           HB       VAL  67  -2.695  13.207  -7.905
  419   1HG1  VAL  67          1HG1      VAL  67  -4.262  14.042  -6.581
  420   2HG1  VAL  67          2HG1      VAL  67  -3.578  15.663  -6.726
  421   3HG1  VAL  67          3HG1      VAL  67  -4.774  15.103  -7.895
  422   1HG2  VAL  67          1HG2      VAL  67  -2.690  13.563 -10.174
  423   2HG2  VAL  67          2HG2      VAL  67  -4.261  14.237  -9.742
  424   3HG2  VAL  67          3HG2      VAL  67  -2.886  15.308 -10.016
  425    H    GLY  68           H        GLY  68   0.032  15.919  -9.628
  426   1HA   GLY  68          1HA       GLY  68  -0.289  18.045 -10.792
  427   2HA   GLY  68          2HA       GLY  68  -1.007  18.669  -9.308
  428    H    GLY  69           H        GLY  69   1.868  16.650  -9.604
  429   1HA   GLY  69          1HA       GLY  69   3.502  18.941  -8.707
  430   2HA   GLY  69          2HA       GLY  69   3.590  17.396  -7.871
  431    H    ASN  70           H        ASN  70   5.513  16.541  -8.339
  432    HA   ASN  70           HA       ASN  70   6.166  16.144 -11.167
  433   1HB   ASN  70          1HB       ASN  70   8.436  16.890 -10.934
  434   2HB   ASN  70          2HB       ASN  70   7.391  18.177 -10.347
  435   1HD2  ASN  70          1HD2      ASN  70  10.182  16.679  -9.757
  436   2HD2  ASN  70          2HD2      ASN  70  10.295  16.876  -8.042
  437    H    GLY  71           H        GLY  71   5.264  14.542  -8.792
  438   1HA   GLY  71          1HA       GLY  71   6.373  12.112  -9.294
  439   2HA   GLY  71          2HA       GLY  71   7.468  12.830  -8.117
  440    H    TRP  72           H        TRP  72   7.043  11.712  -6.301
  441    HA   TRP  72           HA       TRP  72   4.332  11.961  -5.214
  442   1HB   TRP  72          1HB       TRP  72   6.020   9.443  -5.139
  443   2HB   TRP  72          2HB       TRP  72   4.531   9.674  -4.238
  444    HD1  TRP  72           HD1      TRP  72   5.829   8.570  -7.559
  445    HE1  TRP  72           HE1      TRP  72   3.881   7.993  -9.136
  446    HE3  TRP  72           HE3      TRP  72   1.896  10.504  -4.833
  447    HZ2  TRP  72           HZ2      TRP  72   1.090   8.274  -9.213
  448    HZ3  TRP  72           HZ3      TRP  72  -0.359  10.277  -5.745
  449    HH2  TRP  72           HH2      TRP  72  -0.760   9.191  -7.884
  450    H    GLY  73           H        GLY  73   4.373  12.911  -3.277
  451   1HA   GLY  73          1HA       GLY  73   6.952  13.518  -2.088
  452   2HA   GLY  73          2HA       GLY  73   5.404  14.201  -1.626
  453    H    GLU  74           H        GLU  74   6.691  13.769   0.496
  454    HA   GLU  74           HA       GLU  74   6.205  11.034   1.441
  455   1HB   GLU  74          1HB       GLU  74   7.669  13.044   3.089
  456   2HB   GLU  74          2HB       GLU  74   7.908  11.306   2.969
  457   1HG   GLU  74          1HG       GLU  74   8.497  12.902   0.546
  458   2HG   GLU  74          2HG       GLU  74   9.595  13.084   1.912
  459    H    ILE  75           H        ILE  75   4.670  10.585   2.989
  460    HA   ILE  75           HA       ILE  75   3.611  12.841   4.542
  461    HB   ILE  75           HB       ILE  75   1.905  10.734   3.203
  462   1HG1  ILE  75          1HG1      ILE  75   2.287  13.701   2.797
  463   2HG1  ILE  75          2HG1      ILE  75   2.433  12.408   1.613
  464   1HG2  ILE  75          1HG2      ILE  75   1.426  12.231   5.603
  465   2HG2  ILE  75          2HG2      ILE  75   0.288  12.732   4.352
  466   3HG2  ILE  75          3HG2      ILE  75   0.399  11.033   4.813
  467   1HD1  ILE  75          1HD1      ILE  75   0.167  14.009   2.273
  468   2HD1  ILE  75          2HD1      ILE  75   0.360  12.828   0.976
  469   3HD1  ILE  75          3HD1      ILE  75  -0.206  12.310   2.565
  470    H    LYS  76           H        LYS  76   2.253   9.563   4.741
  471    HA   LYS  76           HA       LYS  76   3.303   9.449   7.491
  472   1HB   LYS  76          1HB       LYS  76   0.843   9.332   7.166
  473   2HB   LYS  76          2HB       LYS  76   1.058   7.859   6.232
  474   1HG   LYS  76          1HG       LYS  76   0.368   7.311   8.472
  475   2HG   LYS  76          2HG       LYS  76   2.029   6.771   8.216
  476   1HD   LYS  76          1HD       LYS  76   2.914   8.512   9.521
  477   2HD   LYS  76          2HD       LYS  76   1.407   9.432   9.466
  478   1HE   LYS  76          1HE       LYS  76   0.321   7.879  10.917
  479   2HE   LYS  76          2HE       LYS  76   1.669   6.747  10.802
  480   1HZ   LYS  76          1HZ       LYS  76   1.391   9.137  12.430
  481   2HZ   LYS  76          2HZ       LYS  76   2.917   8.914  11.724
  482   3HZ   LYS  76          3HZ       LYS  76   2.264   7.714  12.728
  483    H    ARG  77           H        ARG  77   5.011   8.140   7.878
  484    HA   ARG  77           HA       ARG  77   5.465   5.940   5.965
  485   1HB   ARG  77          1HB       ARG  77   7.238   8.055   7.005
  486   2HB   ARG  77          2HB       ARG  77   7.948   6.450   6.879
  487   1HG   ARG  77          1HG       ARG  77   6.587   6.835   4.483
  488   2HG   ARG  77          2HG       ARG  77   7.382   8.373   4.828
  489   1HD   ARG  77          1HD       ARG  77   9.004   5.949   5.265
  490   2HD   ARG  77          2HD       ARG  77   8.590   6.312   3.590
  491    HE   ARG  77           HE       ARG  77  10.394   7.768   5.303
  492   1HH1  ARG  77          1HH1      ARG  77   8.357   7.883   2.467
  493   2HH1  ARG  77          2HH1      ARG  77   9.162   9.253   1.764
  494   1HH2  ARG  77          1HH2      ARG  77  11.476   9.572   4.394
  495   2HH2  ARG  77          2HH2      ARG  77  10.949  10.216   2.864
  496    H    ASN  78           H        ASN  78   5.260   4.000   6.854
  497    HA   ASN  78           HA       ASN  78   6.801   3.356   9.219
  498   1HB   ASN  78          1HB       ASN  78   4.784   2.152  10.257
  499   2HB   ASN  78          2HB       ASN  78   4.844   3.903  10.415
  500   1HD2  ASN  78          1HD2      ASN  78   3.172   1.216   9.054
  501   2HD2  ASN  78          2HD2      ASN  78   1.837   2.101   8.416
  502    H    ASP  79           H        ASP  79   7.882   1.505   8.679
  503    HA   ASP  79           HA       ASP  79   6.293  -0.746   7.823
  504   1HB   ASP  79          1HB       ASP  79   6.818  -0.070   5.620
  505   2HB   ASP  79          2HB       ASP  79   8.483   0.313   6.050
  506    H    ILE  80           H        ILE  80   6.857  -2.372   8.979
  507    HA   ILE  80           HA       ILE  80   9.381  -3.471   8.738
  508    HB   ILE  80           HB       ILE  80   8.852  -2.116  11.304
  509   1HG1  ILE  80          1HG1      ILE  80  11.501  -3.270  10.616
  510   2HG1  ILE  80          2HG1      ILE  80  10.867  -2.034   9.533
  511   1HG2  ILE  80          1HG2      ILE  80   8.448  -4.321  12.128
  512   2HG2  ILE  80          2HG2      ILE  80   9.864  -4.952  11.284
  513   3HG2  ILE  80          3HG2      ILE  80  10.066  -3.839  12.637
  514   1HD1  ILE  80          1HD1      ILE  80  11.344  -1.758  12.489
  515   2HD1  ILE  80          2HD1      ILE  80  12.280  -1.021  11.187
  516   3HD1  ILE  80          3HD1      ILE  80  10.609  -0.528  11.462
  517    H    ASP  81           H        ASP  81   6.620  -3.485  10.817
  518    HA   ASP  81           HA       ASP  81   5.524  -5.833   9.600
  519   1HB   ASP  81          1HB       ASP  81   5.449  -7.209  11.573
  520   2HB   ASP  81          2HB       ASP  81   7.123  -6.732  11.364
  521    H    LYS  82           H        LYS  82   4.829  -3.246   9.534
  522    HA   LYS  82           HA       LYS  82   3.149  -2.649  11.884
  523   1HB   LYS  82          1HB       LYS  82   4.991  -1.037  10.222
  524   2HB   LYS  82          2HB       LYS  82   3.507  -0.233  10.711
  525   1HG   LYS  82          1HG       LYS  82   4.200   0.005  12.812
  526   2HG   LYS  82          2HG       LYS  82   4.793  -1.651  12.890
  527   1HD   LYS  82          1HD       LYS  82   6.731  -0.777  11.414
  528   2HD   LYS  82          2HD       LYS  82   6.216   0.815  11.976
  529   1HE   LYS  82          1HE       LYS  82   6.354  -0.149  14.326
  530   2HE   LYS  82          2HE       LYS  82   7.214  -1.506  13.603
  531   1HZ   LYS  82          1HZ       LYS  82   8.154   1.203  12.995
  532   2HZ   LYS  82          2HZ       LYS  82   9.031  -0.238  13.162
  533   3HZ   LYS  82          3HZ       LYS  82   8.483   0.577  14.537
  534    HA   PRO  83           HA       PRO  83  -0.213  -2.562   8.929
  535   1HB   PRO  83          1HB       PRO  83  -2.059  -2.769  11.060
  536   2HB   PRO  83          2HB       PRO  83  -1.469  -4.083  10.042
  537   1HG   PRO  83          1HG       PRO  83  -0.966  -3.758  12.778
  538   2HG   PRO  83          2HG       PRO  83  -0.111  -4.857  11.684
  539   1HD   PRO  83          1HD       PRO  83   0.690  -2.165  12.685
  540   2HD   PRO  83          2HD       PRO  83   1.698  -3.576  12.294
  541    H    LEU  84           H        LEU  84  -0.361  -0.520   8.197
  542    HA   LEU  84           HA       LEU  84  -0.925   1.694   9.957
  543   1HB   LEU  84          1HB       LEU  84   0.530   1.960   7.992
  544   2HB   LEU  84          2HB       LEU  84  -0.810   1.545   6.942
  545    HG   LEU  84           HG       LEU  84  -2.000   3.570   7.633
  546   1HD1  LEU  84          1HD1      LEU  84  -1.054   5.203   9.073
  547   2HD1  LEU  84          2HD1      LEU  84  -0.953   3.659   9.918
  548   3HD1  LEU  84          3HD1      LEU  84   0.481   4.339   9.152
  549   1HD2  LEU  84          1HD2      LEU  84   0.731   3.708   6.459
  550   2HD2  LEU  84          2HD2      LEU  84  -0.839   4.006   5.712
  551   3HD2  LEU  84          3HD2      LEU  84  -0.132   5.209   6.789
  552    H    LYS  85           H        LYS  85  -2.900   1.678  10.825
  553    HA   LYS  85           HA       LYS  85  -5.221   0.968   9.249
  554   1HB   LYS  85          1HB       LYS  85  -4.630   1.474  12.090
  555   2HB   LYS  85          2HB       LYS  85  -6.204   2.051  11.564
  556   1HG   LYS  85          1HG       LYS  85  -7.001  -0.052  11.168
  557   2HG   LYS  85          2HG       LYS  85  -5.402  -0.719  10.834
  558   1HD   LYS  85          1HD       LYS  85  -5.826   0.276  13.578
  559   2HD   LYS  85          2HD       LYS  85  -6.772  -1.144  13.126
  560   1HE   LYS  85          1HE       LYS  85  -4.915  -2.466  12.859
  561   2HE   LYS  85          2HE       LYS  85  -3.870  -1.099  12.471
  562   1HZ   LYS  85          1HZ       LYS  85  -4.081  -0.425  14.844
  563   2HZ   LYS  85          2HZ       LYS  85  -3.266  -1.894  14.611
  564   3HZ   LYS  85          3HZ       LYS  85  -4.873  -1.895  15.149
  565    H    TYR  86           H        TYR  86  -6.573   2.348   8.293
  566    HA   TYR  86           HA       TYR  86  -5.660   4.984   7.795
  567   1HB   TYR  86          1HB       TYR  86  -7.826   5.175   6.503
  568   2HB   TYR  86          2HB       TYR  86  -6.768   3.856   6.019
  569    HD1  TYR  86           HD1      TYR  86  -9.968   4.730   7.548
  570    HD2  TYR  86           HD2      TYR  86  -7.362   1.546   6.484
  571    HE1  TYR  86           HE1      TYR  86 -11.810   3.129   7.843
  572    HE2  TYR  86           HE2      TYR  86  -9.194  -0.065   6.775
  573    HH   TYR  86           HH       TYR  86 -12.070   0.406   6.611
  574    H    GLU  87           H        GLU  87  -6.300   6.890   8.573
  575    HA   GLU  87           HA       GLU  87  -8.422   6.908  10.602
  576   1HB   GLU  87          1HB       GLU  87  -6.377   9.037   9.934
  577   2HB   GLU  87          2HB       GLU  87  -7.533   9.094  11.257
  578   1HG   GLU  87          1HG       GLU  87  -6.464   7.239  12.342
  579   2HG   GLU  87          2HG       GLU  87  -5.382   7.011  10.970
  580    H    ASP  88           H        ASP  88  -9.396   9.426  10.449
  581    HA   ASP  88           HA       ASP  88 -10.556   9.442   7.761
  582   1HB   ASP  88          1HB       ASP  88 -12.515  10.115   8.657
  583   2HB   ASP  88          2HB       ASP  88 -11.831   9.499  10.154
  584    H    TYR  89           H        TYR  89 -10.099  10.965   6.359
  585    HA   TYR  89           HA       TYR  89  -8.509  13.261   7.291
  586   1HB   TYR  89          1HB       TYR  89  -8.190  11.953   4.590
  587   2HB   TYR  89          2HB       TYR  89  -7.098  13.083   5.384
  588    HD1  TYR  89           HD1      TYR  89  -7.699   9.695   4.656
  589    HD2  TYR  89           HD2      TYR  89  -6.089  12.228   7.671
  590    HE1  TYR  89           HE1      TYR  89  -6.434   7.796   5.568
  591    HE2  TYR  89           HE2      TYR  89  -4.822  10.332   8.593
  592    HH   TYR  89           HH       TYR  89  -4.103   8.207   8.173
  593    H    TYR  90           H        TYR  90 -10.087  12.250   4.266
  594    HA   TYR  90           HA       TYR  90 -11.731  13.161   2.991
  595   1HB   TYR  90          1HB       TYR  90 -12.208  14.706   5.523
  596   2HB   TYR  90          2HB       TYR  90 -13.125  15.043   4.062
  597    HD1  TYR  90           HD1      TYR  90 -14.952  14.497   5.848
  598    HD2  TYR  90           HD2      TYR  90 -12.354  11.587   4.138
  599    HE1  TYR  90           HE1      TYR  90 -16.551  12.732   6.436
  600    HE2  TYR  90           HE2      TYR  90 -13.954   9.812   4.723
  601    HH   TYR  90           HH       TYR  90 -16.034   9.848   6.839
  602    H    THR  91           H        THR  91  -9.007  14.724   3.906
  603    HA   THR  91           HA       THR  91  -9.494  17.299   2.746
  604    HB   THR  91           HB       THR  91  -6.709  16.809   2.956
  605    HG1  THR  91           HG1      THR  91  -7.196  16.297   5.459
  606   1HG2  THR  91          1HG2      THR  91  -7.880  18.129   5.256
  607   2HG2  THR  91          2HG2      THR  91  -8.591  18.705   3.749
  608   3HG2  THR  91          3HG2      THR  91  -6.846  18.789   3.989
  609    H    SER  92           H        SER  92 -10.146  16.849   0.632
  610    HA   SER  92           HA       SER  92  -9.908  16.575  -1.601
  611   1HB   SER  92          1HB       SER  92  -6.923  16.719  -1.354
  612   2HB   SER  92          2HB       SER  92  -7.977  17.423  -2.579
  613    HG   SER  92           HG       SER  92  -8.652  18.463  -0.228
  614    H    GLY  93           H        GLY  93 -10.527  14.312  -0.766
  615   1HA   GLY  93          1HA       GLY  93  -8.519  12.264  -0.919
  616   2HA   GLY  93          2HA       GLY  93 -10.252  12.018  -0.757
  617    H    LEU  94           H        LEU  94  -7.722  12.845  -3.073
  618    HA   LEU  94           HA       LEU  94  -9.437  11.955  -5.270
  619   1HB   LEU  94          1HB       LEU  94  -7.452  13.968  -4.991
  620   2HB   LEU  94          2HB       LEU  94  -6.857  12.804  -6.160
  621    HG   LEU  94           HG       LEU  94  -9.374  13.142  -7.078
  622   1HD1  LEU  94          1HD1      LEU  94 -10.177  14.799  -5.681
  623   2HD1  LEU  94          2HD1      LEU  94  -8.622  15.625  -5.591
  624   3HD1  LEU  94          3HD1      LEU  94  -9.589  15.723  -7.064
  625   1HD2  LEU  94          1HD2      LEU  94  -8.135  13.626  -8.850
  626   2HD2  LEU  94          2HD2      LEU  94  -7.813  15.233  -8.195
  627   3HD2  LEU  94          3HD2      LEU  94  -6.737  13.889  -7.808
  628    H    SER  95           H        SER  95  -6.119  11.699  -5.912
  629    HA   SER  95           HA       SER  95  -6.347   8.798  -5.998
  630   1HB   SER  95          1HB       SER  95  -3.853  10.008  -6.956
  631   2HB   SER  95          2HB       SER  95  -4.960   8.905  -7.777
  632    HG   SER  95           HG       SER  95  -6.145  10.581  -8.483
  633    H    TRP  96           H        TRP  96  -5.585   7.613  -4.386
  634    HA   TRP  96           HA       TRP  96  -3.514   8.717  -2.627
  635   1HB   TRP  96          1HB       TRP  96  -5.195   6.228  -2.234
  636   2HB   TRP  96          2HB       TRP  96  -4.134   6.973  -1.047
  637    HD1  TRP  96           HD1      TRP  96  -7.391   7.830  -2.974
  638    HE1  TRP  96           HE1      TRP  96  -8.845   9.303  -1.452
  639    HE3  TRP  96           HE3      TRP  96  -4.176   8.330   0.979
  640    HZ2  TRP  96           HZ2      TRP  96  -8.659  10.519   1.092
  641    HZ3  TRP  96           HZ3      TRP  96  -4.899   9.666   2.918
  642    HH2  TRP  96           HH2      TRP  96  -7.091  10.736   2.969
  643    H    ILE  97           H        ILE  97  -1.661   7.525  -2.139
  644    HA   ILE  97           HA       ILE  97  -1.092   5.329  -3.995
  645    HB   ILE  97           HB       ILE  97  -0.132   7.586  -4.680
  646   1HG1  ILE  97          1HG1      ILE  97   0.984   4.950  -4.735
  647   2HG1  ILE  97          2HG1      ILE  97   1.130   6.231  -5.931
  648   1HG2  ILE  97          1HG2      ILE  97   1.528   7.051  -2.248
  649   2HG2  ILE  97          2HG2      ILE  97   2.052   8.111  -3.555
  650   3HG2  ILE  97          3HG2      ILE  97   0.591   8.491  -2.644
  651   1HD1  ILE  97          1HD1      ILE  97   3.324   5.882  -5.481
  652   2HD1  ILE  97          2HD1      ILE  97   2.978   7.087  -4.243
  653   3HD1  ILE  97          3HD1      ILE  97   3.021   5.376  -3.818
  654    H    TRP  98           H        TRP  98  -0.113   3.607  -3.139
  655    HA   TRP  98           HA       TRP  98   0.900   3.708  -0.402
  656   1HB   TRP  98          1HB       TRP  98   0.286   1.517  -2.365
  657   2HB   TRP  98          2HB       TRP  98   1.381   1.199  -1.029
  658    HD1  TRP  98           HD1      TRP  98  -1.729   0.088  -1.661
  659    HE1  TRP  98           HE1      TRP  98  -3.347   0.084   0.335
  660    HE3  TRP  98           HE3      TRP  98   0.672   3.465   1.365
  661    HZ2  TRP  98           HZ2      TRP  98  -3.584   1.332   2.848
  662    HZ3  TRP  98           HZ3      TRP  98  -0.326   4.000   3.542
  663    HH2  TRP  98           HH2      TRP  98  -2.412   2.945   4.272
  664    H    LYS  99           H        LYS  99   2.796   4.918  -0.622
  665    HA   LYS  99           HA       LYS  99   4.700   4.210  -2.699
  666   1HB   LYS  99          1HB       LYS  99   4.130   6.587  -1.598
  667   2HB   LYS  99          2HB       LYS  99   5.434   6.102  -0.522
  668   1HG   LYS  99          1HG       LYS  99   6.438   5.563  -3.039
  669   2HG   LYS  99          2HG       LYS  99   5.538   7.064  -3.257
  670   1HD   LYS  99          1HD       LYS  99   7.091   7.119  -0.818
  671   2HD   LYS  99          2HD       LYS  99   8.114   6.779  -2.216
  672   1HE   LYS  99          1HE       LYS  99   6.902   8.754  -3.326
  673   2HE   LYS  99          2HE       LYS  99   6.358   9.159  -1.699
  674   1HZ   LYS  99          1HZ       LYS  99   8.576  10.129  -2.702
  675   2HZ   LYS  99          2HZ       LYS  99   9.223   8.685  -2.092
  676   3HZ   LYS  99          3HZ       LYS  99   8.435   9.772  -1.052
  677    H    ILE 100           H        ILE 100   6.494   3.015  -2.434
  678    HA   ILE 100           HA       ILE 100   7.172   2.153   0.305
  679    HB   ILE 100           HB       ILE 100   7.673   0.592  -2.236
  680   1HG1  ILE 100          1HG1      ILE 100   5.715  -0.194  -0.096
  681   2HG1  ILE 100          2HG1      ILE 100   5.225   0.895  -1.389
  682   1HG2  ILE 100          1HG2      ILE 100   9.156   0.368  -0.097
  683   2HG2  ILE 100          2HG2      ILE 100   7.777  -0.534   0.530
  684   3HG2  ILE 100          3HG2      ILE 100   8.595  -1.077  -0.935
  685   1HD1  ILE 100          1HD1      ILE 100   6.124  -1.956  -1.597
  686   2HD1  ILE 100          2HD1      ILE 100   4.579  -1.247  -2.073
  687   3HD1  ILE 100          3HD1      ILE 100   6.038  -0.883  -2.994
  688    H    LYS 101           H        LYS 101   8.867   3.284   0.933
  689    HA   LYS 101           HA       LYS 101  10.962   3.921  -1.026
  690   1HB   LYS 101          1HB       LYS 101  10.085   5.856   0.136
  691   2HB   LYS 101          2HB       LYS 101  10.363   5.100   1.699
  692   1HG   LYS 101          1HG       LYS 101  12.770   5.203   1.338
  693   2HG   LYS 101          2HG       LYS 101  12.508   5.908  -0.258
  694   1HD   LYS 101          1HD       LYS 101  11.044   7.562   1.367
  695   2HD   LYS 101          2HD       LYS 101  12.429   7.157   2.383
  696   1HE   LYS 101          1HE       LYS 101  13.562   8.732   1.294
  697   2HE   LYS 101          2HE       LYS 101  13.529   7.673  -0.115
  698   1HZ   LYS 101          1HZ       LYS 101  12.712   9.835  -0.712
  699   2HZ   LYS 101          2HZ       LYS 101  11.562   9.812   0.535
  700   3HZ   LYS 101          3HZ       LYS 101  11.423   8.734  -0.771
  701    H    ASN 102           H        ASN 102  12.581   2.567  -1.084
  702    HA   ASN 102           HA       ASN 102  13.161   0.915   1.265
  703   1HB   ASN 102          1HB       ASN 102  12.657  -0.306  -0.753
  704   2HB   ASN 102          2HB       ASN 102  13.870   0.601  -1.654
  705   1HD2  ASN 102          1HD2      ASN 102  14.874  -1.328  -2.259
  706   2HD2  ASN 102          2HD2      ASN 102  15.854  -2.229  -1.153
  707    H    ASN 103           H        ASN 103  14.931   1.189   2.420
  708    HA   ASN 103           HA       ASN 103  16.773   3.308   1.700
  709   1HB   ASN 103          1HB       ASN 103  16.277   1.683   4.174
  710   2HB   ASN 103          2HB       ASN 103  17.772   2.600   4.005
  711   1HD2  ASN 103          1HD2      ASN 103  14.771   2.716   5.250
  712   2HD2  ASN 103          2HD2      ASN 103  14.532   4.433   5.281
  713    H    SER 104           H        SER 104  16.695  -0.148   1.799
  714    HA   SER 104           HA       SER 104  19.509  -0.575   1.850
  715   1HB   SER 104          1HB       SER 104  17.899  -2.684   0.608
  716   2HB   SER 104          2HB       SER 104  18.922  -2.746   2.045
  717    HG   SER 104           HG       SER 104  16.195  -2.182   1.810
  718    H    SER 105           H        SER 105  20.928  -0.864   0.181
  719    HA   SER 105           HA       SER 105  20.130   0.206  -2.383
  720   1HB   SER 105          1HB       SER 105  22.836  -0.972  -1.826
  721   2HB   SER 105          2HB       SER 105  22.411   0.411  -2.835
  722    HG   SER 105           HG       SER 105  23.101   0.348  -0.219
  723    H    GLU 106           H        GLU 106  20.141  -2.814  -0.964
  724    HA   GLU 106           HA       GLU 106  20.513  -4.251  -3.485
  725   1HB   GLU 106          1HB       GLU 106  20.095  -5.328  -0.689
  726   2HB   GLU 106          2HB       GLU 106  20.472  -6.281  -2.118
  727   1HG   GLU 106          1HG       GLU 106  22.656  -5.774  -2.044
  728   2HG   GLU 106          2HG       GLU 106  22.364  -4.116  -1.521
  729    H    THR 107           H        THR 107  18.918  -5.900  -4.075
  730    HA   THR 107           HA       THR 107  16.285  -4.894  -4.126
  731    HB   THR 107           HB       THR 107  16.691  -7.799  -4.574
  732    HG1  THR 107           HG1      THR 107  17.752  -7.354  -6.579
  733   1HG2  THR 107          1HG2      THR 107  14.878  -5.766  -5.367
  734   2HG2  THR 107          2HG2      THR 107  14.825  -7.488  -5.739
  735   3HG2  THR 107          3HG2      THR 107  15.672  -6.381  -6.818
  736    H    SER 108           H        SER 108  14.661  -5.103  -2.740
  737    HA   SER 108           HA       SER 108  14.934  -7.083  -0.577
  738   1HB   SER 108          1HB       SER 108  13.354  -4.533  -0.313
  739   2HB   SER 108          2HB       SER 108  14.030  -5.552   0.961
  740    HG   SER 108           HG       SER 108  16.001  -4.689  -0.641
  741    H    ASN 109           H        ASN 109  12.905  -7.935   0.253
  742    HA   ASN 109           HA       ASN 109  10.775  -7.919  -1.785
  743   1HB   ASN 109          1HB       ASN 109  11.634 -10.093  -1.906
  744   2HB   ASN 109          2HB       ASN 109  11.942 -10.172  -0.176
  745   1HD2  ASN 109          1HD2      ASN 109  10.797 -11.811   0.531
  746   2HD2  ASN 109          2HD2      ASN 109   9.102 -12.060   0.263
  747    H    TYR 110           H        TYR 110   8.989  -7.013  -1.097
  748    HA   TYR 110           HA       TYR 110   8.632  -6.682   1.799
  749   1HB   TYR 110          1HB       TYR 110   7.150  -4.770   1.172
  750   2HB   TYR 110          2HB       TYR 110   8.816  -4.566   0.641
  751    HD1  TYR 110           HD1      TYR 110   9.376  -4.615  -1.723
  752    HD2  TYR 110           HD2      TYR 110   5.350  -5.102  -0.446
  753    HE1  TYR 110           HE1      TYR 110   8.603  -4.220  -4.025
  754    HE2  TYR 110           HE2      TYR 110   4.569  -4.712  -2.746
  755    HH   TYR 110           HH       TYR 110   5.207  -3.872  -4.791
  756    H    SER 111           H        SER 111   6.846  -7.419   2.798
  757    HA   SER 111           HA       SER 111   4.798  -8.695   1.119
  758   1HB   SER 111          1HB       SER 111   4.761  -9.036   4.073
  759   2HB   SER 111          2HB       SER 111   4.424 -10.206   2.797
  760    HG   SER 111           HG       SER 111   7.019  -9.367   2.781
  761    H    LEU 112           H        LEU 112   3.689  -6.830   0.526
  762    HA   LEU 112           HA       LEU 112   2.722  -5.021   2.571
  763   1HB   LEU 112          1HB       LEU 112   3.192  -4.889  -0.212
  764   2HB   LEU 112          2HB       LEU 112   1.470  -4.650   0.010
  765    HG   LEU 112           HG       LEU 112   3.698  -2.995   1.198
  766   1HD1  LEU 112          1HD1      LEU 112   1.734  -2.634  -1.015
  767   2HD1  LEU 112          2HD1      LEU 112   2.265  -1.231  -0.089
  768   3HD1  LEU 112          3HD1      LEU 112   3.447  -2.218  -0.947
  769   1HD2  LEU 112          1HD2      LEU 112   0.855  -2.219   1.500
  770   2HD2  LEU 112          2HD2      LEU 112   1.464  -3.496   2.554
  771   3HD2  LEU 112          3HD2      LEU 112   2.234  -1.908   2.553
  772    H    ASP 113           H        ASP 113   1.220  -5.983   3.831
  773    HA   ASP 113           HA       ASP 113  -0.839  -7.642   2.581
  774   1HB   ASP 113          1HB       ASP 113  -0.162  -7.146   5.490
  775   2HB   ASP 113          2HB       ASP 113  -1.450  -8.206   4.935
  776    H    ALA 114           H        ALA 114  -2.214  -6.170   1.634
  777    HA   ALA 114           HA       ALA 114  -3.371  -4.100   3.359
  778   1HB   ALA 114          1HB       ALA 114  -3.852  -2.878   1.492
  779   2HB   ALA 114          2HB       ALA 114  -2.452  -3.774   0.903
  780   3HB   ALA 114          3HB       ALA 114  -4.079  -4.306   0.482
  781    H    THR 115           H        THR 115  -5.101  -4.729   4.456
  782    HA   THR 115           HA       THR 115  -6.963  -6.606   3.188
  783    HB   THR 115           HB       THR 115  -7.457  -5.763   5.979
  784    HG1  THR 115           HG1      THR 115  -5.026  -6.773   5.135
  785   1HG2  THR 115          1HG2      THR 115  -8.672  -7.629   5.885
  786   2HG2  THR 115          2HG2      THR 115  -7.206  -8.574   5.624
  787   3HG2  THR 115          3HG2      THR 115  -8.098  -7.930   4.245
  788    H    VAL 116           H        VAL 116  -7.895  -5.149   1.787
  789    HA   VAL 116           HA       VAL 116  -9.028  -2.675   2.691
  790    HB   VAL 116           HB       VAL 116  -8.283  -2.578   0.481
  791   1HG1  VAL 116          1HG1      VAL 116  -8.121  -5.065   0.232
  792   2HG1  VAL 116          2HG1      VAL 116  -9.818  -5.058  -0.250
  793   3HG1  VAL 116          3HG1      VAL 116  -8.623  -4.197  -1.219
  794   1HG2  VAL 116          1HG2      VAL 116 -10.973  -3.133  -0.492
  795   2HG2  VAL 116          2HG2      VAL 116 -10.952  -2.132   0.959
  796   3HG2  VAL 116          3HG2      VAL 116 -10.062  -1.622  -0.478
  797    H    HIS 117           H        HIS 117 -11.132  -2.192   3.068
  798    HA   HIS 117           HA       HIS 117 -12.768  -4.029   4.297
  799   1HB   HIS 117          1HB       HIS 117 -12.845  -1.306   3.820
  800   2HB   HIS 117          2HB       HIS 117 -14.305  -1.896   3.034
  801    HD1  HIS 117           HD1      HIS 117 -15.021  -4.141   5.105
  802    HD2  HIS 117           HD2      HIS 117 -13.963  -0.233   6.072
  803    HE1  HIS 117           HE1      HIS 117 -16.004  -3.714   7.376
  804    HE2  HIS 117           HE2      HIS 117 -15.196  -1.415   8.017
  805    H    ASP 118           H        ASP 118 -12.764  -3.150   0.868
  806    HA   ASP 118           HA       ASP 118 -14.848  -5.194   0.486
  807   1HB   ASP 118          1HB       ASP 118 -15.412  -2.822  -0.235
  808   2HB   ASP 118          2HB       ASP 118 -14.212  -3.028  -1.513
  809    H    ASP 119           H        ASP 119 -14.365  -6.942  -0.609
  810    HA   ASP 119           HA       ASP 119 -11.721  -7.332  -1.649
  811   1HB   ASP 119          1HB       ASP 119 -12.803  -9.191  -0.574
  812   2HB   ASP 119          2HB       ASP 119 -14.201  -9.064  -1.634
  813    H    LYS 120           H        LYS 120 -11.539  -5.826  -3.299
  814    HA   LYS 120           HA       LYS 120 -12.441  -6.705  -5.875
  815   1HB   LYS 120          1HB       LYS 120 -14.208  -5.042  -4.610
  816   2HB   LYS 120          2HB       LYS 120 -13.207  -3.887  -5.478
  817   1HG   LYS 120          1HG       LYS 120 -14.904  -4.316  -6.978
  818   2HG   LYS 120          2HG       LYS 120 -13.630  -5.408  -7.525
  819   1HD   LYS 120          1HD       LYS 120 -15.591  -6.706  -7.532
  820   2HD   LYS 120          2HD       LYS 120 -14.746  -7.168  -6.054
  821   1HE   LYS 120          1HE       LYS 120 -16.692  -4.940  -5.871
  822   2HE   LYS 120          2HE       LYS 120 -17.342  -6.565  -6.097
  823   1HZ   LYS 120          1HZ       LYS 120 -15.476  -6.898  -4.159
  824   2HZ   LYS 120          2HZ       LYS 120 -17.143  -6.742  -3.896
  825   3HZ   LYS 120          3HZ       LYS 120 -16.136  -5.380  -3.773
  826    H    GLU 121           H        GLU 121  -9.932  -6.606  -5.031
  827    HA   GLU 121           HA       GLU 121  -8.777  -3.989  -5.527
  828   1HB   GLU 121          1HB       GLU 121  -8.040  -6.212  -3.970
  829   2HB   GLU 121          2HB       GLU 121  -6.809  -6.061  -5.215
  830   1HG   GLU 121          1HG       GLU 121  -7.692  -3.855  -3.366
  831   2HG   GLU 121          2HG       GLU 121  -6.234  -4.827  -3.175
  832    H    ASP 122           H        ASP 122  -7.300  -3.507  -7.094
  833    HA   ASP 122           HA       ASP 122  -6.557  -5.369  -9.143
  834   1HB   ASP 122          1HB       ASP 122  -8.936  -4.723  -9.755
  835   2HB   ASP 122          2HB       ASP 122  -8.347  -3.081  -9.992
  836    H    SER 123           H        SER 123  -4.767  -4.293  -7.761
  837    HA   SER 123           HA       SER 123  -4.012  -1.628  -8.314
  838   1HB   SER 123          1HB       SER 123  -1.715  -3.140  -7.643
  839   2HB   SER 123          2HB       SER 123  -2.684  -2.121  -6.577
  840    HG   SER 123           HG       SER 123  -3.799  -3.845  -5.880
  841    H    ASP 124           H        ASP 124  -2.020  -1.000  -9.448
  842    HA   ASP 124           HA       ASP 124  -1.644  -2.593 -11.894
  843   1HB   ASP 124          1HB       ASP 124  -2.629  -0.182 -11.977
  844   2HB   ASP 124          2HB       ASP 124  -0.966   0.326 -11.694
  845    H    VAL 125           H        VAL 125  -0.092  -3.846 -10.697
  846    HA   VAL 125           HA       VAL 125   2.230  -2.482  -9.603
  847    HB   VAL 125           HB       VAL 125   2.072  -5.460  -9.731
  848   1HG1  VAL 125          1HG1      VAL 125   3.732  -3.640  -8.497
  849   2HG1  VAL 125          2HG1      VAL 125   2.666  -4.165  -7.192
  850   3HG1  VAL 125          3HG1      VAL 125   3.597  -5.353  -8.102
  851   1HG2  VAL 125          1HG2      VAL 125  -0.202  -4.261  -9.033
  852   2HG2  VAL 125          2HG2      VAL 125   0.376  -5.727  -8.239
  853   3HG2  VAL 125          3HG2      VAL 125   0.639  -4.153  -7.487
  854    H    LEU 126           H        LEU 126   1.387  -3.339 -12.621
  855    HA   LEU 126           HA       LEU 126   3.931  -4.454 -13.465
  856   1HB   LEU 126          1HB       LEU 126   1.905  -3.444 -15.408
  857   2HB   LEU 126          2HB       LEU 126   2.974  -4.828 -15.529
  858    HG   LEU 126           HG       LEU 126   0.620  -4.760 -13.652
  859   1HD1  LEU 126          1HD1      LEU 126   0.110  -4.455 -16.167
  860   2HD1  LEU 126          2HD1      LEU 126   0.606  -6.143 -16.306
  861   3HD1  LEU 126          3HD1      LEU 126  -0.750  -5.705 -15.267
  862   1HD2  LEU 126          1HD2      LEU 126   2.594  -6.803 -14.564
  863   2HD2  LEU 126          2HD2      LEU 126   1.951  -6.499 -12.950
  864   3HD2  LEU 126          3HD2      LEU 126   0.955  -7.313 -14.156
  865    H    THR 127           H        THR 127   3.197  -1.563 -12.432
  866    HA   THR 127           HA       THR 127   4.642  -0.104 -14.536
  867    HB   THR 127           HB       THR 127   3.334   1.478 -12.430
  868    HG1  THR 127           HG1      THR 127   1.628   0.125 -12.572
  869   1HG2  THR 127          1HG2      THR 127   2.656   1.848 -15.272
  870   2HG2  THR 127          2HG2      THR 127   4.372   1.981 -14.886
  871   3HG2  THR 127          3HG2      THR 127   3.202   3.020 -14.073
  872    H    LYS 128           H        LYS 128   6.748  -0.298 -13.989
  873    HA   LYS 128           HA       LYS 128   7.622   0.062 -11.252
  874   1HB   LYS 128          1HB       LYS 128   9.074  -0.414 -13.852
  875   2HB   LYS 128          2HB       LYS 128   9.935  -0.042 -12.365
  876   1HG   LYS 128          1HG       LYS 128   8.036  -2.359 -12.675
  877   2HG   LYS 128          2HG       LYS 128   9.784  -2.470 -12.895
  878   1HD   LYS 128          1HD       LYS 128   9.966  -2.827 -10.705
  879   2HD   LYS 128          2HD       LYS 128   9.408  -1.175 -10.439
  880   1HE   LYS 128          1HE       LYS 128   7.689  -2.091  -9.341
  881   2HE   LYS 128          2HE       LYS 128   7.074  -2.531 -10.934
  882   1HZ   LYS 128          1HZ       LYS 128   8.972  -4.445 -10.072
  883   2HZ   LYS 128          2HZ       LYS 128   7.331  -4.663 -10.449
  884   3HZ   LYS 128          3HZ       LYS 128   7.788  -4.236  -8.871
  885    H    CYS 129           H        CYS 129   6.826   2.152 -10.866
  886    HA   CYS 129           HA       CYS 129   7.622   4.405 -12.433
  887   1HB   CYS 129          1HB       CYS 129   6.892   5.411  -9.975
  888   2HB   CYS 129          2HB       CYS 129   5.790   5.103 -11.315
  889    HA   PRO 130           HA       PRO 130  11.553   4.894 -10.376
  890   1HB   PRO 130          1HB       PRO 130  12.332   6.952 -12.094
  891   2HB   PRO 130          2HB       PRO 130  12.582   5.229 -12.366
  892   1HG   PRO 130          1HG       PRO 130  10.897   6.974 -13.841
  893   2HG   PRO 130          2HG       PRO 130  11.045   5.218 -14.016
  894   1HD   PRO 130          1HD       PRO 130   8.989   6.810 -12.592
  895   2HD   PRO 130          2HD       PRO 130   8.865   5.200 -13.332
  896    H    VAL 131           H        VAL 131  10.357   5.797  -8.488
  897    HA   VAL 131           HA       VAL 131  10.048   8.682  -8.410
  898    HB   VAL 131           HB       VAL 131   9.734   6.697  -6.145
  899   1HG1  VAL 131          1HG1      VAL 131   9.416   8.473  -4.859
  900   2HG1  VAL 131          2HG1      VAL 131   9.676   9.543  -6.236
  901   3HG1  VAL 131          3HG1      VAL 131   8.056   8.953  -5.873
  902   1HG2  VAL 131          1HG2      VAL 131   7.245   7.077  -6.645
  903   2HG2  VAL 131          2HG2      VAL 131   7.787   7.652  -8.221
  904   3HG2  VAL 131          3HG2      VAL 131   8.143   6.001  -7.715
  Start of MODEL    5
    1   1H    ARG  14          1H        ARG  14 -12.315  -8.024   9.832
    2    HA   ARG  14           HA       ARG  14  -9.504  -8.820  10.176
    3   1HB   ARG  14          1HB       ARG  14 -11.876 -10.500   9.332
    4   2HB   ARG  14          2HB       ARG  14 -10.249 -11.091   9.642
    5   1HG   ARG  14          1HG       ARG  14 -10.498 -11.001  11.896
    6   2HG   ARG  14          2HG       ARG  14 -11.591  -9.618  11.831
    7   1HD   ARG  14          1HD       ARG  14 -13.442 -10.915  11.523
    8   2HD   ARG  14          2HD       ARG  14 -12.548 -12.182  10.683
    9    HE   ARG  14           HE       ARG  14 -12.763 -11.832  13.590
   10   1HH1  ARG  14          1HH1      ARG  14 -11.680 -13.729  10.840
   11   2HH1  ARG  14          2HH1      ARG  14 -11.388 -15.154  11.788
   12   1HH2  ARG  14          1HH2      ARG  14 -12.338 -13.713  14.835
   13   2HH2  ARG  14          2HH2      ARG  14 -11.747 -15.146  14.034
   14    H    ILE  15           H        ILE  15  -8.961 -10.416   8.156
   15    HA   ILE  15           HA       ILE  15  -9.568  -8.841   5.741
   16    HB   ILE  15           HB       ILE  15  -6.974 -10.319   6.029
   17   1HG1  ILE  15          1HG1      ILE  15  -7.340  -7.422   6.804
   18   2HG1  ILE  15          2HG1      ILE  15  -7.270  -8.729   7.979
   19   1HG2  ILE  15          1HG2      ILE  15  -6.436  -9.330   4.098
   20   2HG2  ILE  15          2HG2      ILE  15  -8.166  -9.018   3.950
   21   3HG2  ILE  15          3HG2      ILE  15  -7.097  -7.774   4.600
   22   1HD1  ILE  15          1HD1      ILE  15  -5.021  -9.271   7.293
   23   2HD1  ILE  15          2HD1      ILE  15  -5.087  -8.051   6.023
   24   3HD1  ILE  15          3HD1      ILE  15  -5.128  -7.563   7.716
   25    HA   PRO  16           HA       PRO  16 -10.860 -13.128   4.715
   26   1HB   PRO  16          1HB       PRO  16 -12.943 -11.776   3.184
   27   2HB   PRO  16          2HB       PRO  16 -13.113 -12.928   4.510
   28   1HG   PRO  16          1HG       PRO  16 -13.766 -10.308   4.755
   29   2HG   PRO  16          2HG       PRO  16 -13.163 -11.277   6.112
   30   1HD   PRO  16          1HD       PRO  16 -11.693  -9.329   4.374
   31   2HD   PRO  16          2HD       PRO  16 -11.607  -9.554   6.136
   32    H    ASN  17           H        ASN  17 -10.913 -10.239   2.660
   33    HA   ASN  17           HA       ASN  17  -9.828 -11.829   0.446
   34   1HB   ASN  17          1HB       ASN  17 -11.789  -9.751   0.554
   35   2HB   ASN  17          2HB       ASN  17 -10.420  -9.162  -0.380
   36   1HD2  ASN  17          1HD2      ASN  17 -13.234 -10.969  -0.437
   37   2HD2  ASN  17          2HD2      ASN  17 -13.013 -11.743  -1.974
   38    H    ILE  18           H        ILE  18  -7.726 -11.923   1.108
   39    HA   ILE  18           HA       ILE  18  -6.329  -9.507   1.867
   40    HB   ILE  18           HB       ILE  18  -4.599 -11.787   1.482
   41   1HG1  ILE  18          1HG1      ILE  18  -6.084 -12.597   3.765
   42   2HG1  ILE  18          2HG1      ILE  18  -7.229 -12.418   2.438
   43   1HG2  ILE  18          1HG2      ILE  18  -4.360 -11.345   4.019
   44   2HG2  ILE  18          2HG2      ILE  18  -3.834 -10.109   2.874
   45   3HG2  ILE  18          3HG2      ILE  18  -5.385  -9.946   3.695
   46   1HD1  ILE  18          1HD1      ILE  18  -4.873 -13.800   1.553
   47   2HD1  ILE  18          2HD1      ILE  18  -5.574 -14.590   2.965
   48   3HD1  ILE  18          3HD1      ILE  18  -6.559 -14.317   1.529
   49    H    ALA  19           H        ALA  19  -5.248  -8.266   0.521
   50    HA   ALA  19           HA       ALA  19  -4.377  -9.353  -2.067
   51   1HB   ALA  19          1HB       ALA  19  -4.408  -6.463  -1.211
   52   2HB   ALA  19          2HB       ALA  19  -4.221  -7.101  -2.846
   53   3HB   ALA  19          3HB       ALA  19  -5.767  -7.254  -2.010
   54    H    THR  20           H        THR  20  -2.620 -10.501  -1.168
   55    HA   THR  20           HA       THR  20  -0.642  -9.233   0.443
   56    HB   THR  20           HB       THR  20   0.276 -11.581  -1.023
   57    HG1  THR  20           HG1      THR  20  -1.516 -12.669   0.552
   58   1HG2  THR  20          1HG2      THR  20   0.779 -10.431   1.386
   59   2HG2  THR  20          2HG2      THR  20   1.175 -12.105   0.991
   60   3HG2  THR  20          3HG2      THR  20  -0.314 -11.732   1.860
   61    H    TYR  21           H        TYR  21   0.263  -7.469  -0.531
   62    HA   TYR  21           HA       TYR  21   1.344  -7.711  -3.215
   63   1HB   TYR  21          1HB       TYR  21   1.423  -5.446  -1.208
   64   2HB   TYR  21          2HB       TYR  21   2.099  -5.356  -2.830
   65    HD1  TYR  21           HD1      TYR  21  -0.655  -4.495  -0.917
   66    HD2  TYR  21           HD2      TYR  21   0.321  -6.150  -4.711
   67    HE1  TYR  21           HE1      TYR  21  -2.849  -3.792  -1.779
   68    HE2  TYR  21           HE2      TYR  21  -1.866  -5.449  -5.584
   69    HH   TYR  21           HH       TYR  21  -3.675  -3.266  -4.499
   70    H    THR  22           H        THR  22   2.709  -9.511  -2.578
   71    HA   THR  22           HA       THR  22   5.000  -8.949  -0.907
   72    HB   THR  22           HB       THR  22   5.272 -11.355  -2.441
   73    HG1  THR  22           HG1      THR  22   3.329 -12.304  -2.180
   74   1HG2  THR  22          1HG2      THR  22   4.403 -11.344   0.407
   75   2HG2  THR  22          2HG2      THR  22   5.960 -10.623  -0.003
   76   3HG2  THR  22          3HG2      THR  22   5.642 -12.315  -0.388
   77    H    GLY  23           H        GLY  23   5.355  -7.075  -2.535
   78   1HA   GLY  23          1HA       GLY  23   6.561  -7.870  -5.052
   79   2HA   GLY  23          2HA       GLY  23   6.309  -6.226  -4.486
   80    H    THR  24           H        THR  24   8.675  -7.523  -5.651
   81    HA   THR  24           HA       THR  24  10.564  -7.214  -3.422
   82    HB   THR  24           HB       THR  24  12.022  -8.034  -5.636
   83    HG1  THR  24           HG1      THR  24  10.380  -8.657  -6.917
   84   1HG2  THR  24          1HG2      THR  24  11.201 -10.359  -4.249
   85   2HG2  THR  24          2HG2      THR  24  11.242  -9.045  -3.074
   86   3HG2  THR  24          3HG2      THR  24  12.680  -9.426  -4.022
   87    H    ILE  25           H        ILE  25  11.079  -5.094  -3.264
   88    HA   ILE  25           HA       ILE  25  10.993  -3.285  -5.458
   89    HB   ILE  25           HB       ILE  25  10.552  -2.408  -3.281
   90   1HG1  ILE  25          1HG1      ILE  25  13.062  -1.029  -3.295
   91   2HG1  ILE  25          2HG1      ILE  25  12.569  -1.324  -4.959
   92   1HG2  ILE  25          1HG2      ILE  25  12.908  -2.348  -1.851
   93   2HG2  ILE  25          2HG2      ILE  25  11.519  -3.390  -1.546
   94   3HG2  ILE  25          3HG2      ILE  25  12.862  -3.977  -2.527
   95   1HD1  ILE  25          1HD1      ILE  25  10.337  -0.336  -4.339
   96   2HD1  ILE  25          2HD1      ILE  25  11.090   0.175  -2.828
   97   3HD1  ILE  25          3HD1      ILE  25  11.708   0.776  -4.365
   98    H    GLN  26           H        GLN  26  12.709  -2.171  -6.457
   99    HA   GLN  26           HA       GLN  26  14.621  -3.887  -7.514
  100   1HB   GLN  26          1HB       GLN  26  13.624  -1.656  -8.390
  101   2HB   GLN  26          2HB       GLN  26  14.964  -0.907  -7.536
  102   1HG   GLN  26          1HG       GLN  26  16.416  -2.586  -8.872
  103   2HG   GLN  26          2HG       GLN  26  15.000  -2.699  -9.918
  104   1HE2  GLN  26          1HE2      GLN  26  17.837  -1.386  -9.911
  105   2HE2  GLN  26          2HE2      GLN  26  17.521   0.158 -10.629
  106    H    GLY  27           H        GLY  27  15.190  -1.111  -5.355
  107   1HA   GLY  27          1HA       GLY  27  16.788  -1.879  -3.460
  108   2HA   GLY  27          2HA       GLY  27  17.873  -2.162  -4.816
  109    H    LYS  28           H        LYS  28  17.452  -0.121  -2.433
  110    HA   LYS  28           HA       LYS  28  17.675   2.100  -1.998
  111   1HB   LYS  28          1HB       LYS  28  19.791   1.277  -3.708
  112   2HB   LYS  28          2HB       LYS  28  19.312   2.892  -4.209
  113   1HG   LYS  28          1HG       LYS  28  20.461   1.978  -1.614
  114   2HG   LYS  28          2HG       LYS  28  20.939   3.330  -2.642
  115   1HD   LYS  28          1HD       LYS  28  18.242   3.354  -1.368
  116   2HD   LYS  28          2HD       LYS  28  19.656   3.741  -0.385
  117   1HE   LYS  28          1HE       LYS  28  19.970   5.190  -2.754
  118   2HE   LYS  28          2HE       LYS  28  18.267   5.353  -2.328
  119   1HZ   LYS  28          1HZ       LYS  28  20.647   6.248  -0.860
  120   2HZ   LYS  28          2HZ       LYS  28  19.250   5.852   0.017
  121   3HZ   LYS  28          3HZ       LYS  28  19.196   7.068  -1.162
  122    H    GLY  29           H        GLY  29  15.314   1.788  -3.084
  123   1HA   GLY  29          1HA       GLY  29  14.992   4.056  -4.866
  124   2HA   GLY  29          2HA       GLY  29  14.522   2.496  -5.523
  125    H    GLU  30           H        GLU  30  12.516   3.892  -5.649
  126    HA   GLU  30           HA       GLU  30  10.813   3.389  -3.343
  127   1HB   GLU  30          1HB       GLU  30  10.209   6.023  -4.327
  128   2HB   GLU  30          2HB       GLU  30  10.609   5.527  -2.690
  129   1HG   GLU  30          1HG       GLU  30  12.913   5.895  -3.039
  130   2HG   GLU  30          2HG       GLU  30  12.698   6.047  -4.781
  131    H    VAL  31           H        VAL  31   8.710   3.005  -3.935
  132    HA   VAL  31           HA       VAL  31   7.962   3.476  -6.733
  133    HB   VAL  31           HB       VAL  31   6.969   1.194  -6.881
  134   1HG1  VAL  31          1HG1      VAL  31   9.770   1.871  -6.990
  135   2HG1  VAL  31          2HG1      VAL  31   9.540   0.161  -6.622
  136   3HG1  VAL  31          3HG1      VAL  31   8.813   0.857  -8.071
  137   1HG2  VAL  31          1HG2      VAL  31   7.963   1.051  -4.138
  138   2HG2  VAL  31          2HG2      VAL  31   6.697   0.121  -4.936
  139   3HG2  VAL  31          3HG2      VAL  31   8.385  -0.350  -5.121
  140    H    CYS  32           H        CYS  32   5.802   3.650  -7.127
  141    HA   CYS  32           HA       CYS  32   4.067   3.865  -4.765
  142   1HB   CYS  32          1HB       CYS  32   3.645   5.870  -5.729
  143   2HB   CYS  32          2HB       CYS  32   4.354   5.379  -7.262
  144    H    ILE  33           H        ILE  33   2.685   2.233  -4.451
  145    HA   ILE  33           HA       ILE  33   1.899   0.638  -6.800
  146    HB   ILE  33           HB       ILE  33   1.897  -1.374  -5.282
  147   1HG1  ILE  33          1HG1      ILE  33   3.957  -0.368  -3.519
  148   2HG1  ILE  33          2HG1      ILE  33   2.466   0.550  -3.320
  149   1HG2  ILE  33          1HG2      ILE  33   4.715  -0.611  -5.323
  150   2HG2  ILE  33          2HG2      ILE  33   3.881  -1.934  -6.140
  151   3HG2  ILE  33          3HG2      ILE  33   3.871  -0.315  -6.844
  152   1HD1  ILE  33          1HD1      ILE  33   1.392  -1.841  -3.233
  153   2HD1  ILE  33          2HD1      ILE  33   3.026  -2.313  -2.767
  154   3HD1  ILE  33          3HD1      ILE  33   2.145  -1.124  -1.809
  155    H    ILE  34           H        ILE  34  -0.119  -0.390  -6.683
  156    HA   ILE  34           HA       ILE  34  -1.832  -0.078  -4.422
  157    HB   ILE  34           HB       ILE  34  -1.815   2.045  -6.352
  158   1HG1  ILE  34          1HG1      ILE  34  -2.097   2.003  -3.783
  159   2HG1  ILE  34          2HG1      ILE  34  -2.985   3.208  -4.706
  160   1HG2  ILE  34          1HG2      ILE  34  -3.484   0.652  -7.555
  161   2HG2  ILE  34          2HG2      ILE  34  -4.518   0.739  -6.129
  162   3HG2  ILE  34          3HG2      ILE  34  -4.107   2.211  -7.011
  163   1HD1  ILE  34          1HD1      ILE  34  -4.486   2.371  -3.105
  164   2HD1  ILE  34          2HD1      ILE  34  -4.950   1.614  -4.630
  165   3HD1  ILE  34          3HD1      ILE  34  -4.030   0.700  -3.434
  166    H    GLY  35           H        GLY  35  -1.418  -0.899  -7.836
  167   1HA   GLY  35          1HA       GLY  35  -3.917  -2.450  -7.672
  168   2HA   GLY  35          2HA       GLY  35  -3.234  -1.804  -9.153
  169    H    ASN  36           H        ASN  36  -3.740  -4.532  -7.432
  170    HA   ASN  36           HA       ASN  36  -1.510  -5.996  -8.632
  171   1HB   ASN  36          1HB       ASN  36  -1.834  -7.234  -6.765
  172   2HB   ASN  36          2HB       ASN  36  -3.393  -6.486  -6.454
  173   1HD2  ASN  36          1HD2      ASN  36  -1.754  -9.089  -8.156
  174   2HD2  ASN  36          2HD2      ASN  36  -3.148 -10.097  -8.325
  175    H    LYS  37           H        LYS  37  -1.805  -7.442 -10.351
  176    HA   LYS  37           HA       LYS  37  -4.151  -6.813 -11.961
  177   1HB   LYS  37          1HB       LYS  37  -1.630  -8.323 -12.673
  178   2HB   LYS  37          2HB       LYS  37  -2.909  -7.887 -13.798
  179   1HG   LYS  37          1HG       LYS  37  -2.323  -5.674 -13.828
  180   2HG   LYS  37          2HG       LYS  37  -1.582  -5.734 -12.227
  181   1HD   LYS  37          1HD       LYS  37  -0.384  -7.306 -14.467
  182   2HD   LYS  37          2HD       LYS  37  -0.089  -5.569 -14.370
  183   1HE   LYS  37          1HE       LYS  37   1.252  -5.768 -12.573
  184   2HE   LYS  37          2HE       LYS  37   0.269  -7.039 -11.850
  185   1HZ   LYS  37          1HZ       LYS  37   1.852  -7.668 -14.242
  186   2HZ   LYS  37          2HZ       LYS  37   1.400  -8.671 -12.951
  187   3HZ   LYS  37          3HZ       LYS  37   2.647  -7.539 -12.747
  188    H    GLU  38           H        GLU  38  -2.602  -9.789 -12.620
  189    HA   GLU  38           HA       GLU  38  -3.390 -11.905 -12.791
  190   1HB   GLU  38          1HB       GLU  38  -3.746 -11.072 -10.009
  191   2HB   GLU  38          2HB       GLU  38  -4.813 -12.389 -10.475
  192   1HG   GLU  38          1HG       GLU  38  -2.964 -13.499  -9.689
  193   2HG   GLU  38          2HG       GLU  38  -2.677 -13.477 -11.427
  194    H    GLY  39           H        GLY  39  -5.985 -12.528 -11.129
  195   1HA   GLY  39          1HA       GLY  39  -7.833 -11.492 -13.190
  196   2HA   GLY  39          2HA       GLY  39  -7.979 -13.091 -12.472
  197    H    LYS  40           H        LYS  40  -7.466  -9.836 -11.132
  198    HA   LYS  40           HA       LYS  40 -10.019  -9.959  -9.773
  199   1HB   LYS  40          1HB       LYS  40  -8.016 -11.109  -8.419
  200   2HB   LYS  40          2HB       LYS  40  -7.732  -9.438  -7.949
  201   1HG   LYS  40          1HG       LYS  40  -9.125 -10.585  -6.324
  202   2HG   LYS  40          2HG       LYS  40 -10.015  -9.276  -7.107
  203   1HD   LYS  40          1HD       LYS  40 -10.727 -11.219  -8.746
  204   2HD   LYS  40          2HD       LYS  40 -10.353 -12.223  -7.343
  205   1HE   LYS  40          1HE       LYS  40 -11.894 -10.900  -5.983
  206   2HE   LYS  40          2HE       LYS  40 -12.260  -9.889  -7.379
  207   1HZ   LYS  40          1HZ       LYS  40 -13.552 -12.193  -6.634
  208   2HZ   LYS  40          2HZ       LYS  40 -12.627 -12.641  -7.982
  209   3HZ   LYS  40          3HZ       LYS  40 -13.730 -11.361  -8.101
  210    H    THR  41           H        THR  41  -6.920  -8.245 -10.047
  211    HA   THR  41           HA       THR  41  -6.381  -6.049 -10.104
  212    HB   THR  41           HB       THR  41  -9.242  -5.409 -10.809
  213    HG1  THR  41           HG1      THR  41  -8.871  -6.852 -12.361
  214   1HG2  THR  41          1HG2      THR  41  -6.808  -4.163 -12.017
  215   2HG2  THR  41          2HG2      THR  41  -7.313  -3.674 -10.400
  216   3HG2  THR  41          3HG2      THR  41  -8.413  -3.478 -11.765
  217    H    ARG  42           H        ARG  42  -6.011  -6.016  -7.880
  218    HA   ARG  42           HA       ARG  42  -8.185  -4.974  -6.199
  219   1HB   ARG  42          1HB       ARG  42  -5.556  -6.199  -5.351
  220   2HB   ARG  42          2HB       ARG  42  -6.883  -5.744  -4.293
  221   1HG   ARG  42          1HG       ARG  42  -8.255  -7.480  -5.094
  222   2HG   ARG  42          2HG       ARG  42  -7.189  -7.790  -6.467
  223   1HD   ARG  42          1HD       ARG  42  -5.439  -8.540  -4.933
  224   2HD   ARG  42          2HD       ARG  42  -6.503  -8.228  -3.563
  225    HE   ARG  42           HE       ARG  42  -6.562 -10.492  -5.342
  226   1HH1  ARG  42          1HH1      ARG  42  -8.435  -8.563  -3.084
  227   2HH1  ARG  42          2HH1      ARG  42  -9.554  -9.841  -2.740
  228   1HH2  ARG  42          1HH2      ARG  42  -8.020 -12.166  -4.863
  229   2HH2  ARG  42          2HH2      ARG  42  -9.317 -11.885  -3.740
  230    H    GLY  43           H        GLY  43  -7.509  -3.404  -4.497
  231   1HA   GLY  43          1HA       GLY  43  -5.360  -1.627  -5.463
  232   2HA   GLY  43          2HA       GLY  43  -6.928  -0.994  -4.979
  233    H    GLY  44           H        GLY  44  -7.570  -1.899  -2.679
  234   1HA   GLY  44          1HA       GLY  44  -6.600  -2.571  -0.512
  235   2HA   GLY  44          2HA       GLY  44  -5.210  -1.578  -0.934
  236    H    GLU  45           H        GLU  45  -8.485  -1.589   0.222
  237    HA   GLU  45           HA       GLU  45  -8.554   1.317   0.263
  238   1HB   GLU  45          1HB       GLU  45 -10.737  -0.381   1.400
  239   2HB   GLU  45          2HB       GLU  45 -10.824   1.210   0.647
  240   1HG   GLU  45          1HG       GLU  45 -11.035   0.357  -1.423
  241   2HG   GLU  45          2HG       GLU  45  -9.897  -0.953  -1.116
  242    H    LEU  46           H        LEU  46  -7.388   2.130   1.806
  243    HA   LEU  46           HA       LEU  46  -7.075   3.040   3.850
  244   1HB   LEU  46          1HB       LEU  46  -9.592   1.697   4.124
  245   2HB   LEU  46          2HB       LEU  46  -8.691   1.588   5.622
  246    HG   LEU  46           HG       LEU  46 -10.145   3.537   5.663
  247   1HD1  LEU  46          1HD1      LEU  46  -7.581   3.514   6.415
  248   2HD1  LEU  46          2HD1      LEU  46  -7.529   4.836   5.241
  249   3HD1  LEU  46          3HD1      LEU  46  -8.634   4.917   6.618
  250   1HD2  LEU  46          1HD2      LEU  46 -10.448   4.081   3.388
  251   2HD2  LEU  46          2HD2      LEU  46  -9.566   5.442   4.088
  252   3HD2  LEU  46          3HD2      LEU  46  -8.707   4.242   3.121
  253    H    TYR  47           H        TYR  47  -7.602  -0.478   4.239
  254    HA   TYR  47           HA       TYR  47  -5.529  -0.450   6.296
  255   1HB   TYR  47          1HB       TYR  47  -7.890  -1.554   6.484
  256   2HB   TYR  47          2HB       TYR  47  -7.129  -2.880   5.609
  257    HD1  TYR  47           HD1      TYR  47  -5.884  -4.482   6.773
  258    HD2  TYR  47           HD2      TYR  47  -6.730  -0.754   8.630
  259    HE1  TYR  47           HE1      TYR  47  -4.932  -5.326   8.878
  260    HE2  TYR  47           HE2      TYR  47  -5.789  -1.578  10.740
  261    HH   TYR  47           HH       TYR  47  -5.209  -3.496  11.866
  262    H    ALA  48           H        ALA  48  -3.529  -0.958   5.805
  263    HA   ALA  48           HA       ALA  48  -2.994  -3.376   4.302
  264   1HB   ALA  48          1HB       ALA  48  -1.107  -1.538   3.292
  265   2HB   ALA  48          2HB       ALA  48  -2.367  -2.399   2.405
  266   3HB   ALA  48          3HB       ALA  48  -2.697  -0.805   3.085
  267    H    VAL  49           H        VAL  49  -1.453  -4.477   5.342
  268    HA   VAL  49           HA       VAL  49   0.341  -2.964   7.129
  269    HB   VAL  49           HB       VAL  49  -0.925  -4.345   8.546
  270   1HG1  VAL  49          1HG1      VAL  49  -1.634  -5.797   6.451
  271   2HG1  VAL  49          2HG1      VAL  49  -0.426  -6.894   7.119
  272   3HG1  VAL  49          3HG1      VAL  49  -1.800  -6.391   8.103
  273   1HG2  VAL  49          1HG2      VAL  49   0.650  -6.026   9.400
  274   2HG2  VAL  49          2HG2      VAL  49   1.611  -5.858   7.929
  275   3HG2  VAL  49          3HG2      VAL  49   1.444  -4.491   9.035
  276    H    LEU  50           H        LEU  50   2.419  -2.950   6.601
  277    HA   LEU  50           HA       LEU  50   3.301  -4.769   4.485
  278   1HB   LEU  50          1HB       LEU  50   3.589  -2.360   4.120
  279   2HB   LEU  50          2HB       LEU  50   4.580  -2.259   5.562
  280    HG   LEU  50           HG       LEU  50   5.768  -4.235   3.946
  281   1HD1  LEU  50          1HD1      LEU  50   4.624  -3.512   2.004
  282   2HD1  LEU  50          2HD1      LEU  50   4.898  -1.814   2.391
  283   3HD1  LEU  50          3HD1      LEU  50   6.252  -2.839   1.914
  284   1HD2  LEU  50          1HD2      LEU  50   7.331  -2.025   3.650
  285   2HD2  LEU  50          2HD2      LEU  50   6.396  -1.612   5.089
  286   3HD2  LEU  50          3HD2      LEU  50   7.349  -3.096   5.050
  287    H    HIS  51           H        HIS  51   4.440  -6.477   4.980
  288    HA   HIS  51           HA       HIS  51   5.920  -6.659   7.481
  289   1HB   HIS  51          1HB       HIS  51   5.482  -8.628   5.221
  290   2HB   HIS  51          2HB       HIS  51   6.495  -8.968   6.617
  291    HD1  HIS  51           HD1      HIS  51   5.119  -8.715   9.022
  292    HD2  HIS  51           HD2      HIS  51   2.907  -9.378   5.554
  293    HE1  HIS  51           HE1      HIS  51   2.883  -9.586   9.788
  294    HE2  HIS  51           HE2      HIS  51   1.521  -9.879   7.682
  295    H    SER  52           H        SER  52   8.255  -7.662   7.191
  296    HA   SER  52           HA       SER  52   9.574  -5.505   5.735
  297   1HB   SER  52          1HB       SER  52  11.157  -7.230   7.513
  298   2HB   SER  52          2HB       SER  52  11.091  -5.472   7.400
  299    HG   SER  52           HG       SER  52   8.754  -6.138   8.281
  300    H    THR  53           H        THR  53  12.029  -6.194   5.333
  301    HA   THR  53           HA       THR  53  11.848  -7.904   3.023
  302    HB   THR  53           HB       THR  53  14.092  -6.948   2.495
  303    HG1  THR  53           HG1      THR  53  14.763  -5.170   3.871
  304   1HG2  THR  53          1HG2      THR  53  13.308  -4.822   1.873
  305   2HG2  THR  53          2HG2      THR  53  12.203  -4.736   3.245
  306   3HG2  THR  53          3HG2      THR  53  11.870  -5.840   1.910
  307    H    ASN  54           H        ASN  54  15.006  -7.644   4.119
  308    HA   ASN  54           HA       ASN  54  15.020 -10.489   4.873
  309   1HB   ASN  54          1HB       ASN  54  17.335 -10.492   3.751
  310   2HB   ASN  54          2HB       ASN  54  15.926 -10.450   2.695
  311   1HD2  ASN  54          1HD2      ASN  54  15.542  -8.658   1.447
  312   2HD2  ASN  54          2HD2      ASN  54  16.685  -7.364   1.284
  313    H    VAL  55           H        VAL  55  18.138  -9.399   4.825
  314    HA   VAL  55           HA       VAL  55  18.476  -9.524   7.622
  315    HB   VAL  55           HB       VAL  55  20.490  -8.033   6.024
  316   1HG1  VAL  55          1HG1      VAL  55  20.866  -8.645   8.364
  317   2HG1  VAL  55          2HG1      VAL  55  20.699 -10.347   7.938
  318   3HG1  VAL  55          3HG1      VAL  55  22.038  -9.404   7.287
  319   1HG2  VAL  55          1HG2      VAL  55  20.079 -10.993   5.631
  320   2HG2  VAL  55          2HG2      VAL  55  19.645  -9.755   4.451
  321   3HG2  VAL  55          3HG2      VAL  55  21.334  -9.987   4.905
  322    H    ASN  56           H        ASN  56  19.149  -6.717   5.530
  323    HA   ASN  56           HA       ASN  56  18.519  -4.970   7.781
  324   1HB   ASN  56          1HB       ASN  56  19.467  -3.146   6.399
  325   2HB   ASN  56          2HB       ASN  56  20.610  -4.459   6.646
  326   1HD2  ASN  56          1HD2      ASN  56  19.563  -2.322   4.445
  327   2HD2  ASN  56          2HD2      ASN  56  19.911  -3.197   2.987
  328    H    ALA  57           H        ALA  57  16.388  -4.766   7.973
  329    HA   ALA  57           HA       ALA  57  14.713  -4.406   5.633
  330   1HB   ALA  57          1HB       ALA  57  14.126  -5.647   7.863
  331   2HB   ALA  57          2HB       ALA  57  13.694  -4.027   8.412
  332   3HB   ALA  57          3HB       ALA  57  12.897  -4.721   7.000
  333    H    ASP  58           H        ASP  58  16.471  -2.499   5.519
  334    HA   ASP  58           HA       ASP  58  15.705  -0.093   6.899
  335   1HB   ASP  58          1HB       ASP  58  18.043  -0.890   5.858
  336   2HB   ASP  58          2HB       ASP  58  17.425  -0.016   4.462
  337    H    MET  59           H        MET  59  13.466  -0.124   6.241
  338    HA   MET  59           HA       MET  59  13.086   1.095   3.614
  339   1HB   MET  59          1HB       MET  59  12.555  -1.210   3.199
  340   2HB   MET  59          2HB       MET  59  11.565  -1.298   4.650
  341   1HG   MET  59          1HG       MET  59  10.074   0.434   3.600
  342   2HG   MET  59          2HG       MET  59  10.982   0.198   2.109
  343   1HE   MET  59          1HE       MET  59  11.796  -2.433   2.015
  344   2HE   MET  59          2HE       MET  59  10.620  -3.745   1.969
  345   3HE   MET  59          3HE       MET  59  10.665  -2.555   0.666
  346    H    THR  60           H        THR  60  11.926   2.853   3.758
  347    HA   THR  60           HA       THR  60  10.362   3.349   6.172
  348    HB   THR  60           HB       THR  60  10.447   5.462   4.134
  349    HG1  THR  60           HG1      THR  60  12.854   4.415   5.275
  350   1HG2  THR  60          1HG2      THR  60  10.813   5.159   7.073
  351   2HG2  THR  60          2HG2      THR  60   9.777   6.266   6.172
  352   3HG2  THR  60          3HG2      THR  60  11.509   6.578   6.291
  353    H    LEU  61           H        LEU  61   8.294   2.655   6.089
  354    HA   LEU  61           HA       LEU  61   6.972   2.335   3.530
  355   1HB   LEU  61          1HB       LEU  61   6.628   0.591   5.143
  356   2HB   LEU  61          2HB       LEU  61   6.132   1.744   6.367
  357    HG   LEU  61           HG       LEU  61   4.129   2.268   4.938
  358   1HD1  LEU  61          1HD1      LEU  61   4.273  -0.278   3.533
  359   2HD1  LEU  61          2HD1      LEU  61   3.763   1.311   2.962
  360   3HD1  LEU  61          3HD1      LEU  61   5.477   0.893   2.993
  361   1HD2  LEU  61          1HD2      LEU  61   4.120   0.738   6.906
  362   2HD2  LEU  61          2HD2      LEU  61   2.879   0.385   5.701
  363   3HD2  LEU  61          3HD2      LEU  61   4.332  -0.612   5.791
  364    H    ILE  62           H        ILE  62   5.609   3.774   2.648
  365    HA   ILE  62           HA       ILE  62   4.744   5.991   4.362
  366    HB   ILE  62           HB       ILE  62   6.539   6.119   2.108
  367   1HG1  ILE  62          1HG1      ILE  62   6.108   8.678   3.095
  368   2HG1  ILE  62          2HG1      ILE  62   5.748   7.628   4.461
  369   1HG2  ILE  62          1HG2      ILE  62   4.941   6.702   0.568
  370   2HG2  ILE  62          2HG2      ILE  62   3.896   7.453   1.774
  371   3HG2  ILE  62          3HG2      ILE  62   5.354   8.284   1.228
  372   1HD1  ILE  62          1HD1      ILE  62   8.177   8.519   4.015
  373   2HD1  ILE  62          2HD1      ILE  62   7.899   6.891   4.634
  374   3HD1  ILE  62          3HD1      ILE  62   8.238   7.136   2.922
  375    H    LEU  63           H        LEU  63   2.752   6.667   4.142
  376    HA   LEU  63           HA       LEU  63   1.073   5.471   2.053
  377   1HB   LEU  63          1HB       LEU  63   0.664   5.740   4.773
  378   2HB   LEU  63          2HB       LEU  63  -0.266   7.065   4.100
  379    HG   LEU  63           HG       LEU  63  -0.542   4.162   3.385
  380   1HD1  LEU  63          1HD1      LEU  63  -2.254   6.021   5.013
  381   2HD1  LEU  63          2HD1      LEU  63  -2.775   4.436   4.439
  382   3HD1  LEU  63          3HD1      LEU  63  -1.422   4.563   5.565
  383   1HD2  LEU  63          1HD2      LEU  63  -2.700   5.825   2.530
  384   2HD2  LEU  63          2HD2      LEU  63  -1.175   6.448   1.895
  385   3HD2  LEU  63          3HD2      LEU  63  -1.647   4.779   1.573
  386    H    LEU  64           H        LEU  64   0.257   6.756   0.469
  387    HA   LEU  64           HA       LEU  64   1.061   9.581   0.672
  388   1HB   LEU  64          1HB       LEU  64   1.985   7.515  -1.053
  389   2HB   LEU  64          2HB       LEU  64   1.149   8.718  -2.014
  390    HG   LEU  64           HG       LEU  64   3.241   9.559  -0.049
  391   1HD1  LEU  64          1HD1      LEU  64   3.607   8.248  -2.710
  392   2HD1  LEU  64          2HD1      LEU  64   4.739   9.488  -2.165
  393   3HD1  LEU  64          3HD1      LEU  64   4.513   8.022  -1.212
  394   1HD2  LEU  64          1HD2      LEU  64   1.644  10.756  -2.160
  395   2HD2  LEU  64          2HD2      LEU  64   2.550  11.521  -0.854
  396   3HD2  LEU  64          3HD2      LEU  64   3.369  11.073  -2.350
  397    H    ARG  65           H        ARG  65  -0.294  11.080  -0.095
  398    HA   ARG  65           HA       ARG  65  -1.813  10.351  -2.434
  399   1HB   ARG  65          1HB       ARG  65  -3.806  11.595  -1.772
  400   2HB   ARG  65          2HB       ARG  65  -3.527  10.242  -0.690
  401   1HG   ARG  65          1HG       ARG  65  -3.497  11.579   1.076
  402   2HG   ARG  65          2HG       ARG  65  -2.285  12.628   0.335
  403   1HD   ARG  65          1HD       ARG  65  -3.860  14.190   0.147
  404   2HD   ARG  65          2HD       ARG  65  -4.656  13.158  -1.041
  405    HE   ARG  65           HE       ARG  65  -5.780  12.148   1.027
  406   1HH1  ARG  65          1HH1      ARG  65  -4.788  15.480   0.767
  407   2HH1  ARG  65          2HH1      ARG  65  -6.040  16.085   1.808
  408   1HH2  ARG  65          1HH2      ARG  65  -7.436  12.918   2.440
  409   2HH2  ARG  65          2HH2      ARG  65  -7.529  14.620   2.793
  410    H    ASN  66           H        ASN  66  -0.790  11.493  -3.836
  411    HA   ASN  66           HA       ASN  66  -0.193  14.313  -3.285
  412   1HB   ASN  66          1HB       ASN  66   1.885  13.088  -2.983
  413   2HB   ASN  66          2HB       ASN  66   1.651  12.245  -4.509
  414   1HD2  ASN  66          1HD2      ASN  66   1.835  13.437  -6.455
  415   2HD2  ASN  66          2HD2      ASN  66   2.785  14.884  -6.504
  416    H    VAL  67           H        VAL  67  -1.346  15.434  -4.706
  417    HA   VAL  67           HA       VAL  67  -1.623  14.366  -7.409
  418    HB   VAL  67           HB       VAL  67  -3.509  13.672  -5.818
  419   1HG1  VAL  67          1HG1      VAL  67  -4.672  16.359  -6.440
  420   2HG1  VAL  67          2HG1      VAL  67  -5.171  15.176  -5.231
  421   3HG1  VAL  67          3HG1      VAL  67  -3.699  16.118  -4.990
  422   1HG2  VAL  67          1HG2      VAL  67  -4.705  13.258  -7.658
  423   2HG2  VAL  67          2HG2      VAL  67  -4.844  14.968  -8.070
  424   3HG2  VAL  67          3HG2      VAL  67  -3.396  14.066  -8.520
  425    H    GLY  68           H        GLY  68  -0.824  16.903  -5.498
  426   1HA   GLY  68          1HA       GLY  68  -1.879  19.013  -7.185
  427   2HA   GLY  68          2HA       GLY  68  -0.755  19.206  -5.842
  428    H    GLY  69           H        GLY  69   0.859  16.967  -7.094
  429   1HA   GLY  69          1HA       GLY  69   1.940  18.340  -9.449
  430   2HA   GLY  69          2HA       GLY  69   3.018  18.001  -8.098
  431    H    ASN  70           H        ASN  70   3.326  16.969 -10.746
  432    HA   ASN  70           HA       ASN  70   2.376  14.228 -10.646
  433   1HB   ASN  70          1HB       ASN  70   3.315  16.015 -12.702
  434   2HB   ASN  70          2HB       ASN  70   4.207  14.499 -12.768
  435   1HD2  ASN  70          1HD2      ASN  70   3.206  12.673 -13.437
  436   2HD2  ASN  70          2HD2      ASN  70   1.565  12.618 -14.000
  437    H    GLY  71           H        GLY  71   3.641  14.127  -8.544
  438   1HA   GLY  71          1HA       GLY  71   5.799  12.353  -8.874
  439   2HA   GLY  71          2HA       GLY  71   6.431  13.940  -8.447
  440    H    TRP  72           H        TRP  72   5.203  11.060  -7.265
  441    HA   TRP  72           HA       TRP  72   3.696  11.857  -5.048
  442   1HB   TRP  72          1HB       TRP  72   5.374   9.358  -5.364
  443   2HB   TRP  72          2HB       TRP  72   4.115   9.603  -4.161
  444    HD1  TRP  72           HD1      TRP  72   4.663   8.421  -7.648
  445    HE1  TRP  72           HE1      TRP  72   2.411   7.831  -8.741
  446    HE3  TRP  72           HE3      TRP  72   1.477  10.440  -4.171
  447    HZ2  TRP  72           HZ2      TRP  72  -0.327   8.137  -8.209
  448    HZ3  TRP  72           HZ3      TRP  72  -0.951  10.220  -4.542
  449    HH2  TRP  72           HH2      TRP  72  -1.827   9.100  -6.521
  450    H    GLY  73           H        GLY  73   4.310  13.065  -3.409
  451   1HA   GLY  73          1HA       GLY  73   7.090  13.130  -2.547
  452   2HA   GLY  73          2HA       GLY  73   5.788  14.172  -1.988
  453    H    GLU  74           H        GLU  74   6.496  13.796   0.190
  454    HA   GLU  74           HA       GLU  74   5.787  11.141   1.198
  455   1HB   GLU  74          1HB       GLU  74   7.147  11.520   3.022
  456   2HB   GLU  74          2HB       GLU  74   7.982  12.454   1.792
  457   1HG   GLU  74          1HG       GLU  74   5.998  13.680   3.681
  458   2HG   GLU  74          2HG       GLU  74   7.707  13.515   4.073
  459    H    ILE  75           H        ILE  75   4.149  10.814   2.679
  460    HA   ILE  75           HA       ILE  75   2.631  13.164   3.570
  461    HB   ILE  75           HB       ILE  75   1.382  10.640   2.453
  462   1HG1  ILE  75          1HG1      ILE  75   2.267  12.360   0.809
  463   2HG1  ILE  75          2HG1      ILE  75   0.560  11.965   0.657
  464   1HG2  ILE  75          1HG2      ILE  75  -0.720  11.378   3.092
  465   2HG2  ILE  75          2HG2      ILE  75   0.276  11.794   4.488
  466   3HG2  ILE  75          3HG2      ILE  75  -0.177  13.041   3.325
  467   1HD1  ILE  75          1HD1      ILE  75   1.762  14.498   0.996
  468   2HD1  ILE  75          2HD1      ILE  75   0.050  14.103   0.837
  469   3HD1  ILE  75          3HD1      ILE  75   0.797  14.159   2.433
  470    H    LYS  76           H        LYS  76   1.759   9.767   4.047
  471    HA   LYS  76           HA       LYS  76   2.209  10.143   6.928
  472   1HB   LYS  76          1HB       LYS  76  -0.031   9.328   5.748
  473   2HB   LYS  76          2HB       LYS  76   0.776   7.768   5.824
  474   1HG   LYS  76          1HG       LYS  76   1.141   8.640   8.357
  475   2HG   LYS  76          2HG       LYS  76  -0.405   9.394   7.962
  476   1HD   LYS  76          1HD       LYS  76  -1.393   7.449   8.393
  477   2HD   LYS  76          2HD       LYS  76  -0.574   6.778   6.980
  478   1HE   LYS  76          1HE       LYS  76   0.438   5.374   8.377
  479   2HE   LYS  76          2HE       LYS  76   1.364   6.759   8.954
  480   1HZ   LYS  76          1HZ       LYS  76   0.369   6.622  10.908
  481   2HZ   LYS  76          2HZ       LYS  76  -0.396   5.195  10.404
  482   3HZ   LYS  76          3HZ       LYS  76  -1.177   6.688  10.204
  483    H    ARG  77           H        ARG  77   3.485   8.697   8.101
  484    HA   ARG  77           HA       ARG  77   5.021   6.791   6.460
  485   1HB   ARG  77          1HB       ARG  77   6.491   8.588   6.898
  486   2HB   ARG  77          2HB       ARG  77   5.961   8.721   8.568
  487   1HG   ARG  77          1HG       ARG  77   6.942   6.162   8.451
  488   2HG   ARG  77          2HG       ARG  77   8.026   7.054   7.379
  489   1HD   ARG  77          1HD       ARG  77   7.323   7.942  10.174
  490   2HD   ARG  77          2HD       ARG  77   8.752   6.985   9.779
  491    HE   ARG  77           HE       ARG  77   8.251   9.659   8.639
  492   1HH1  ARG  77          1HH1      ARG  77  10.341   7.365  10.260
  493   2HH1  ARG  77          2HH1      ARG  77  11.779   8.323  10.044
  494   1HH2  ARG  77          1HH2      ARG  77  10.120  10.928   8.356
  495   2HH2  ARG  77          2HH2      ARG  77  11.646  10.369   8.993
  496    H    ASN  78           H        ASN  78   5.471   4.828   7.302
  497    HA   ASN  78           HA       ASN  78   4.887   4.297  10.119
  498   1HB   ASN  78          1HB       ASN  78   3.286   3.341   7.926
  499   2HB   ASN  78          2HB       ASN  78   4.090   1.979   8.696
  500   1HD2  ASN  78          1HD2      ASN  78   3.804   1.717  10.997
  501   2HD2  ASN  78          2HD2      ASN  78   2.355   2.289  11.754
  502    H    ASP  79           H        ASP  79   5.922   2.313  10.879
  503    HA   ASP  79           HA       ASP  79   8.463   1.884   9.549
  504   1HB   ASP  79          1HB       ASP  79   8.921   0.431  11.576
  505   2HB   ASP  79          2HB       ASP  79   8.668   2.143  11.899
  506    H    ILE  80           H        ILE  80   9.142  -0.621  10.142
  507    HA   ILE  80           HA       ILE  80   7.726  -2.087   8.115
  508    HB   ILE  80           HB       ILE  80   9.452  -3.911   8.932
  509   1HG1  ILE  80          1HG1      ILE  80  10.964  -1.435   9.716
  510   2HG1  ILE  80          2HG1      ILE  80  10.020  -2.319  10.910
  511   1HG2  ILE  80          1HG2      ILE  80  11.202  -2.637   7.497
  512   2HG2  ILE  80          2HG2      ILE  80   9.681  -3.148   6.764
  513   3HG2  ILE  80          3HG2      ILE  80   9.899  -1.471   7.263
  514   1HD1  ILE  80          1HD1      ILE  80  11.785  -4.023   9.340
  515   2HD1  ILE  80          2HD1      ILE  80  12.632  -2.788  10.272
  516   3HD1  ILE  80          3HD1      ILE  80  11.553  -3.920  11.085
  517    H    ASP  81           H        ASP  81   6.720  -4.050   8.346
  518    HA   ASP  81           HA       ASP  81   5.306  -5.557   9.234
  519   1HB   ASP  81          1HB       ASP  81   7.574  -5.876  10.678
  520   2HB   ASP  81          2HB       ASP  81   6.428  -5.492  11.963
  521    H    LYS  82           H        LYS  82   4.459  -2.972   9.176
  522    HA   LYS  82           HA       LYS  82   2.511  -3.033  11.354
  523   1HB   LYS  82          1HB       LYS  82   4.627  -1.058  11.106
  524   2HB   LYS  82          2HB       LYS  82   3.037  -0.311  11.075
  525   1HG   LYS  82          1HG       LYS  82   2.551  -1.749  13.151
  526   2HG   LYS  82          2HG       LYS  82   4.302  -1.943  13.236
  527   1HD   LYS  82          1HD       LYS  82   4.329   0.652  13.038
  528   2HD   LYS  82          2HD       LYS  82   2.648   0.525  13.563
  529   1HE   LYS  82          1HE       LYS  82   3.986   0.847  15.511
  530   2HE   LYS  82          2HE       LYS  82   3.443  -0.829  15.505
  531   1HZ   LYS  82          1HZ       LYS  82   6.045  -0.189  14.297
  532   2HZ   LYS  82          2HZ       LYS  82   5.536  -1.605  15.076
  533   3HZ   LYS  82          3HZ       LYS  82   5.920  -0.228  15.993
  534    HA   PRO  83           HA       PRO  83  -0.072  -1.685   8.000
  535   1HB   PRO  83          1HB       PRO  83  -2.359  -1.484   9.546
  536   2HB   PRO  83          2HB       PRO  83  -1.711  -2.988   8.890
  537   1HG   PRO  83          1HG       PRO  83  -1.887  -2.222  11.631
  538   2HG   PRO  83          2HG       PRO  83  -1.159  -3.691  10.962
  539   1HD   PRO  83          1HD       PRO  83   0.128  -1.158  11.825
  540   2HD   PRO  83          2HD       PRO  83   0.786  -2.812  11.788
  541    H    LEU  84           H        LEU  84  -0.771   0.203   7.103
  542    HA   LEU  84           HA       LEU  84  -1.217   2.473   8.925
  543   1HB   LEU  84          1HB       LEU  84  -0.753   3.613   6.446
  544   2HB   LEU  84          2HB       LEU  84   0.329   3.617   7.819
  545    HG   LEU  84           HG       LEU  84   1.356   1.508   6.904
  546   1HD1  LEU  84          1HD1      LEU  84  -0.814   1.380   5.286
  547   2HD1  LEU  84          2HD1      LEU  84   0.370   2.122   4.207
  548   3HD1  LEU  84          3HD1      LEU  84   0.718   0.568   4.967
  549   1HD2  LEU  84          1HD2      LEU  84   2.119   3.066   4.759
  550   2HD2  LEU  84          2HD2      LEU  84   1.563   4.240   5.949
  551   3HD2  LEU  84          3HD2      LEU  84   2.829   3.087   6.372
  552    H    LYS  85           H        LYS  85  -3.056   3.561   8.739
  553    HA   LYS  85           HA       LYS  85  -4.868   2.854   6.530
  554   1HB   LYS  85          1HB       LYS  85  -5.355   3.704   9.371
  555   2HB   LYS  85          2HB       LYS  85  -6.598   3.931   8.149
  556   1HG   LYS  85          1HG       LYS  85  -5.838   1.307   7.792
  557   2HG   LYS  85          2HG       LYS  85  -5.769   1.521   9.543
  558   1HD   LYS  85          1HD       LYS  85  -8.118   2.010   7.719
  559   2HD   LYS  85          2HD       LYS  85  -7.974   0.790   8.987
  560   1HE   LYS  85          1HE       LYS  85  -7.485   3.251  10.237
  561   2HE   LYS  85          2HE       LYS  85  -8.858   3.525   9.168
  562   1HZ   LYS  85          1HZ       LYS  85  -8.653   1.831  11.533
  563   2HZ   LYS  85          2HZ       LYS  85  -9.610   1.244  10.257
  564   3HZ   LYS  85          3HZ       LYS  85  -9.958   2.751  10.961
  565    H    TYR  86           H        TYR  86  -5.580   4.491   5.172
  566    HA   TYR  86           HA       TYR  86  -4.389   7.103   5.692
  567   1HB   TYR  86          1HB       TYR  86  -4.994   7.612   3.301
  568   2HB   TYR  86          2HB       TYR  86  -3.744   6.416   3.561
  569    HD1  TYR  86           HD1      TYR  86  -3.857   4.372   2.458
  570    HD2  TYR  86           HD2      TYR  86  -7.386   6.728   2.721
  571    HE1  TYR  86           HE1      TYR  86  -4.964   2.898   0.838
  572    HE2  TYR  86           HE2      TYR  86  -8.497   5.251   1.113
  573    HH   TYR  86           HH       TYR  86  -6.797   2.497  -0.348
  574    H    GLU  87           H        GLU  87  -5.547   8.523   6.691
  575    HA   GLU  87           HA       GLU  87  -7.238   9.922   7.270
  576   1HB   GLU  87          1HB       GLU  87  -7.477   9.730   4.579
  577   2HB   GLU  87          2HB       GLU  87  -9.037   9.090   5.066
  578   1HG   GLU  87          1HG       GLU  87  -9.141  11.238   6.536
  579   2HG   GLU  87          2HG       GLU  87  -7.918  11.827   5.409
  580    H    ASP  88           H        ASP  88  -9.888   8.449   5.900
  581    HA   ASP  88           HA       ASP  88 -10.353   6.375   7.809
  582   1HB   ASP  88          1HB       ASP  88 -10.874   8.761   8.906
  583   2HB   ASP  88          2HB       ASP  88 -12.385   8.550   8.026
  584    H    TYR  89           H        TYR  89 -13.104   6.215   7.634
  585    HA   TYR  89           HA       TYR  89 -13.348   5.486   4.828
  586   1HB   TYR  89          1HB       TYR  89 -15.051   4.911   7.254
  587   2HB   TYR  89          2HB       TYR  89 -15.484   4.393   5.627
  588    HD1  TYR  89           HD1      TYR  89 -13.845   2.894   4.377
  589    HD2  TYR  89           HD2      TYR  89 -13.575   3.634   8.557
  590    HE1  TYR  89           HE1      TYR  89 -12.427   0.903   4.635
  591    HE2  TYR  89           HE2      TYR  89 -12.155   1.646   8.827
  592    HH   TYR  89           HH       TYR  89 -11.726  -0.661   6.305
  593    H    TYR  90           H        TYR  90 -13.676   8.273   6.233
  594    HA   TYR  90           HA       TYR  90 -16.251   9.101   5.232
  595   1HB   TYR  90          1HB       TYR  90 -14.015  10.354   6.712
  596   2HB   TYR  90          2HB       TYR  90 -14.913  11.431   5.646
  597    HD1  TYR  90           HD1      TYR  90 -15.159   9.232   8.592
  598    HD2  TYR  90           HD2      TYR  90 -17.146  12.100   6.161
  599    HE1  TYR  90           HE1      TYR  90 -16.911   9.457  10.300
  600    HE2  TYR  90           HE2      TYR  90 -18.901  12.340   7.866
  601    HH   TYR  90           HH       TYR  90 -19.588  11.770   9.886
  602    H    THR  91           H        THR  91 -13.012   8.844   4.110
  603    HA   THR  91           HA       THR  91 -11.908   9.428   2.220
  604    HB   THR  91           HB       THR  91 -14.154   9.419   0.388
  605    HG1  THR  91           HG1      THR  91 -15.195   8.220   2.031
  606   1HG2  THR  91          1HG2      THR  91 -11.587   8.708   0.275
  607   2HG2  THR  91          2HG2      THR  91 -12.810   7.997  -0.781
  608   3HG2  THR  91          3HG2      THR  91 -12.281   7.132   0.663
  609    H    SER  92           H        SER  92 -11.989  11.643   3.381
  610    HA   SER  92           HA       SER  92 -13.610  13.672   2.158
  611   1HB   SER  92          1HB       SER  92 -11.136  14.347   3.688
  612   2HB   SER  92          2HB       SER  92 -12.730  15.103   3.736
  613    HG   SER  92           HG       SER  92 -11.933  12.625   4.883
  614    H    GLY  93           H        GLY  93 -10.359  12.434   1.749
  615   1HA   GLY  93          1HA       GLY  93  -9.646  14.423  -0.229
  616   2HA   GLY  93          2HA       GLY  93  -8.718  12.991   0.199
  617    H    LEU  94           H        LEU  94  -8.324  12.320  -1.907
  618    HA   LEU  94           HA       LEU  94 -10.689  11.302  -3.320
  619   1HB   LEU  94          1HB       LEU  94  -8.789  11.892  -5.294
  620   2HB   LEU  94          2HB       LEU  94 -10.332  12.679  -5.026
  621    HG   LEU  94           HG       LEU  94  -8.416  13.784  -3.213
  622   1HD1  LEU  94          1HD1      LEU  94  -6.808  14.718  -4.741
  623   2HD1  LEU  94          2HD1      LEU  94  -6.761  12.958  -4.856
  624   3HD1  LEU  94          3HD1      LEU  94  -7.573  13.903  -6.105
  625   1HD2  LEU  94          1HD2      LEU  94  -8.976  15.855  -4.520
  626   2HD2  LEU  94          2HD2      LEU  94  -9.956  14.838  -5.579
  627   3HD2  LEU  94          3HD2      LEU  94 -10.364  14.983  -3.868
  628    H    SER  95           H        SER  95  -7.529  11.099  -4.724
  629    HA   SER  95           HA       SER  95  -7.622   8.207  -4.460
  630   1HB   SER  95          1HB       SER  95  -5.354   9.116  -5.944
  631   2HB   SER  95          2HB       SER  95  -6.795   8.289  -6.539
  632    HG   SER  95           HG       SER  95  -6.716  10.238  -7.583
  633    H    TRP  96           H        TRP  96  -5.982   6.964  -3.580
  634    HA   TRP  96           HA       TRP  96  -3.817   8.364  -2.164
  635   1HB   TRP  96          1HB       TRP  96  -5.364   6.045  -0.955
  636   2HB   TRP  96          2HB       TRP  96  -4.062   6.958  -0.212
  637    HD1  TRP  96           HD1      TRP  96  -7.674   7.637  -1.486
  638    HE1  TRP  96           HE1      TRP  96  -8.750   9.330   0.122
  639    HE3  TRP  96           HE3      TRP  96  -3.658   8.533   1.550
  640    HZ2  TRP  96           HZ2      TRP  96  -7.999  10.838   2.377
  641    HZ3  TRP  96           HZ3      TRP  96  -3.927  10.118   3.413
  642    HH2  TRP  96           HH2      TRP  96  -6.055  11.228   3.818
  643    H    ILE  97           H        ILE  97  -2.012   6.907  -1.626
  644    HA   ILE  97           HA       ILE  97  -1.871   4.465  -3.197
  645    HB   ILE  97           HB       ILE  97  -1.050   6.802  -4.356
  646   1HG1  ILE  97          1HG1      ILE  97   0.453   4.989  -5.687
  647   2HG1  ILE  97          2HG1      ILE  97  -0.621   3.918  -4.789
  648   1HG2  ILE  97          1HG2      ILE  97   1.583   5.578  -3.954
  649   2HG2  ILE  97          2HG2      ILE  97   1.121   7.273  -4.104
  650   3HG2  ILE  97          3HG2      ILE  97   0.936   6.442  -2.560
  651   1HD1  ILE  97          1HD1      ILE  97  -1.693   4.291  -6.827
  652   2HD1  ILE  97          2HD1      ILE  97  -2.520   5.347  -5.679
  653   3HD1  ILE  97          3HD1      ILE  97  -1.334   6.018  -6.800
  654    H    TRP  98           H        TRP  98  -0.085   3.095  -2.607
  655    HA   TRP  98           HA       TRP  98   1.186   3.858  -0.070
  656   1HB   TRP  98          1HB       TRP  98   1.492   1.112  -1.204
  657   2HB   TRP  98          2HB       TRP  98   1.425   1.626   0.475
  658    HD1  TRP  98           HD1      TRP  98  -0.739   0.387  -2.363
  659    HE1  TRP  98           HE1      TRP  98  -3.121  -0.057  -1.496
  660    HE3  TRP  98           HE3      TRP  98  -0.324   2.532   2.275
  661    HZ2  TRP  98           HZ2      TRP  98  -4.629   0.434   0.845
  662    HZ3  TRP  98           HZ3      TRP  98  -2.300   2.491   3.755
  663    HH2  TRP  98           HH2      TRP  98  -4.389   1.462   3.055
  664    H    LYS  99           H        LYS  99   3.354   4.210   0.020
  665    HA   LYS  99           HA       LYS  99   4.891   3.608  -2.422
  666   1HB   LYS  99          1HB       LYS  99   4.729   5.957  -2.418
  667   2HB   LYS  99          2HB       LYS  99   4.941   6.056  -0.676
  668   1HG   LYS  99          1HG       LYS  99   7.218   5.854  -0.799
  669   2HG   LYS  99          2HG       LYS  99   7.164   4.950  -2.313
  670   1HD   LYS  99          1HD       LYS  99   7.407   6.807  -3.509
  671   2HD   LYS  99          2HD       LYS  99   6.083   7.602  -2.654
  672   1HE   LYS  99          1HE       LYS  99   7.475   8.684  -1.237
  673   2HE   LYS  99          2HE       LYS  99   8.599   7.328  -1.146
  674   1HZ   LYS  99          1HZ       LYS  99   8.838   9.671  -2.649
  675   2HZ   LYS  99          2HZ       LYS  99   8.686   8.381  -3.744
  676   3HZ   LYS  99          3HZ       LYS  99   9.915   8.364  -2.575
  677    H    ILE 100           H        ILE 100   6.649   2.432  -2.170
  678    HA   ILE 100           HA       ILE 100   7.576   1.882   0.563
  679    HB   ILE 100           HB       ILE 100   7.672   0.290  -1.981
  680   1HG1  ILE 100          1HG1      ILE 100   7.145  -1.444   0.018
  681   2HG1  ILE 100          2HG1      ILE 100   6.539   0.040   0.745
  682   1HG2  ILE 100          1HG2      ILE 100   9.945   0.163  -1.320
  683   2HG2  ILE 100          2HG2      ILE 100   9.514  -0.029   0.379
  684   3HG2  ILE 100          3HG2      ILE 100   9.179  -1.327  -0.768
  685   1HD1  ILE 100          1HD1      ILE 100   5.615  -0.167  -1.953
  686   2HD1  ILE 100          2HD1      ILE 100   5.236  -1.642  -1.061
  687   3HD1  ILE 100          3HD1      ILE 100   4.692  -0.077  -0.454
  688    H    LYS 101           H        LYS 101   9.180   3.179   1.126
  689    HA   LYS 101           HA       LYS 101  11.163   3.981  -0.881
  690   1HB   LYS 101          1HB       LYS 101   9.873   5.549   0.849
  691   2HB   LYS 101          2HB       LYS 101  11.201   5.065   1.894
  692   1HG   LYS 101          1HG       LYS 101  12.501   5.756  -0.405
  693   2HG   LYS 101          2HG       LYS 101  11.164   6.908  -0.362
  694   1HD   LYS 101          1HD       LYS 101  12.504   8.097   0.990
  695   2HD   LYS 101          2HD       LYS 101  12.015   6.940   2.230
  696   1HE   LYS 101          1HE       LYS 101  14.152   5.834   0.687
  697   2HE   LYS 101          2HE       LYS 101  14.607   7.445   1.241
  698   1HZ   LYS 101          1HZ       LYS 101  14.536   6.828   3.416
  699   2HZ   LYS 101          2HZ       LYS 101  14.996   5.348   2.726
  700   3HZ   LYS 101          3HZ       LYS 101  13.380   5.609   3.172
  701    H    ASN 102           H        ASN 102  12.464   2.211  -1.021
  702    HA   ASN 102           HA       ASN 102  13.338   0.902   1.442
  703   1HB   ASN 102          1HB       ASN 102  12.350  -0.451  -0.386
  704   2HB   ASN 102          2HB       ASN 102  13.684   0.032  -1.429
  705   1HD2  ASN 102          1HD2      ASN 102  15.071  -1.548  -1.654
  706   2HD2  ASN 102          2HD2      ASN 102  15.566  -2.664  -0.431
  707    H    ASN 103           H        ASN 103  15.324   1.071   2.219
  708    HA   ASN 103           HA       ASN 103  17.228   2.789   0.850
  709   1HB   ASN 103          1HB       ASN 103  17.080   1.605   3.613
  710   2HB   ASN 103          2HB       ASN 103  18.539   2.393   3.030
  711   1HD2  ASN 103          1HD2      ASN 103  17.062   3.176   5.249
  712   2HD2  ASN 103          2HD2      ASN 103  16.447   4.775   4.935
  713    H    SER 104           H        SER 104  16.814  -0.568   1.729
  714    HA   SER 104           HA       SER 104  19.420  -1.494   1.478
  715   1HB   SER 104          1HB       SER 104  17.120  -3.150   0.496
  716   2HB   SER 104          2HB       SER 104  18.510  -3.633   1.467
  717    HG   SER 104           HG       SER 104  17.249  -3.370   3.117
  718    H    SER 105           H        SER 105  20.769  -1.677  -0.164
  719    HA   SER 105           HA       SER 105  20.066  -0.545  -2.682
  720   1HB   SER 105          1HB       SER 105  22.639  -1.894  -2.613
  721   2HB   SER 105          2HB       SER 105  22.277  -0.176  -2.801
  722    HG   SER 105           HG       SER 105  22.700   0.123  -0.756
  723    H    GLU 106           H        GLU 106  20.107  -3.738  -1.460
  724    HA   GLU 106           HA       GLU 106  20.288  -4.941  -4.120
  725   1HB   GLU 106          1HB       GLU 106  21.135  -5.769  -1.610
  726   2HB   GLU 106          2HB       GLU 106  19.698  -6.741  -1.896
  727   1HG   GLU 106          1HG       GLU 106  21.476  -6.625  -4.198
  728   2HG   GLU 106          2HG       GLU 106  22.234  -7.316  -2.764
  729    H    THR 107           H        THR 107  18.636  -6.875  -4.381
  730    HA   THR 107           HA       THR 107  16.041  -5.761  -4.531
  731    HB   THR 107           HB       THR 107  16.789  -8.691  -4.632
  732    HG1  THR 107           HG1      THR 107  17.476  -6.711  -6.292
  733   1HG2  THR 107          1HG2      THR 107  14.317  -7.155  -5.230
  734   2HG2  THR 107          2HG2      THR 107  14.512  -8.785  -4.583
  735   3HG2  THR 107          3HG2      THR 107  14.731  -8.487  -6.307
  736    H    SER 108           H        SER 108  14.498  -5.614  -3.024
  737    HA   SER 108           HA       SER 108  14.787  -7.266  -0.603
  738   1HB   SER 108          1HB       SER 108  13.725  -4.459  -0.495
  739   2HB   SER 108          2HB       SER 108  14.459  -5.422   0.789
  740    HG   SER 108           HG       SER 108  16.069  -4.884  -1.413
  741    H    ASN 109           H        ASN 109  12.983  -8.209   0.164
  742    HA   ASN 109           HA       ASN 109  10.570  -8.002  -1.454
  743   1HB   ASN 109          1HB       ASN 109  11.027 -10.241  -1.068
  744   2HB   ASN 109          2HB       ASN 109  11.692  -9.928   0.532
  745   1HD2  ASN 109          1HD2      ASN 109  10.204  -9.478   2.247
  746   2HD2  ASN 109          2HD2      ASN 109   8.626 -10.174   2.223
  747    H    TYR 110           H        TYR 110   8.829  -6.836  -0.840
  748    HA   TYR 110           HA       TYR 110   8.468  -6.406   2.058
  749   1HB   TYR 110          1HB       TYR 110   7.179  -4.359   1.497
  750   2HB   TYR 110          2HB       TYR 110   8.854  -4.254   0.978
  751    HD1  TYR 110           HD1      TYR 110   5.383  -4.742  -0.202
  752    HD2  TYR 110           HD2      TYR 110   9.401  -3.899  -1.313
  753    HE1  TYR 110           HE1      TYR 110   4.626  -4.120  -2.453
  754    HE2  TYR 110           HE2      TYR 110   8.652  -3.281  -3.569
  755    HH   TYR 110           HH       TYR 110   5.828  -2.425  -4.402
  756    H    SER 111           H        SER 111   6.451  -6.925   2.885
  757    HA   SER 111           HA       SER 111   4.622  -8.190   0.960
  758   1HB   SER 111          1HB       SER 111   5.081 -10.075   2.120
  759   2HB   SER 111          2HB       SER 111   5.785  -9.186   3.460
  760    HG   SER 111           HG       SER 111   2.998  -9.095   3.202
  761    H    LEU 112           H        LEU 112   3.299  -6.476   0.618
  762    HA   LEU 112           HA       LEU 112   2.157  -5.111   2.939
  763   1HB   LEU 112          1HB       LEU 112   2.943  -3.787   0.989
  764   2HB   LEU 112          2HB       LEU 112   1.710  -4.559   0.006
  765    HG   LEU 112           HG       LEU 112   0.037  -3.615   1.742
  766   1HD1  LEU 112          1HD1      LEU 112   2.385  -1.797   2.239
  767   2HD1  LEU 112          2HD1      LEU 112   0.743  -1.580   2.849
  768   3HD1  LEU 112          3HD1      LEU 112   1.714  -2.951   3.392
  769   1HD2  LEU 112          1HD2      LEU 112   1.357  -1.482   0.125
  770   2HD2  LEU 112          2HD2      LEU 112   0.587  -2.848  -0.680
  771   3HD2  LEU 112          3HD2      LEU 112  -0.359  -1.800   0.375
  772    H    ASP 113           H        ASP 113   0.663  -6.316   3.862
  773    HA   ASP 113           HA       ASP 113  -1.214  -7.878   2.291
  774   1HB   ASP 113          1HB       ASP 113  -0.819  -7.545   5.275
  775   2HB   ASP 113          2HB       ASP 113  -2.065  -8.565   4.569
  776    H    ALA 114           H        ALA 114  -2.705  -6.600   1.323
  777    HA   ALA 114           HA       ALA 114  -3.902  -4.427   2.896
  778   1HB   ALA 114          1HB       ALA 114  -4.349  -4.718  -0.035
  779   2HB   ALA 114          2HB       ALA 114  -4.275  -3.261   0.957
  780   3HB   ALA 114          3HB       ALA 114  -2.795  -4.128   0.553
  781    H    THR 115           H        THR 115  -6.031  -4.302   3.309
  782    HA   THR 115           HA       THR 115  -7.675  -6.632   2.719
  783    HB   THR 115           HB       THR 115  -8.559  -4.219   4.283
  784    HG1  THR 115           HG1      THR 115  -7.730  -5.415   6.140
  785   1HG2  THR 115          1HG2      THR 115  -9.373  -6.715   5.379
  786   2HG2  THR 115          2HG2      THR 115  -9.698  -6.743   3.646
  787   3HG2  THR 115          3HG2      THR 115 -10.373  -5.458   4.649
  788    H    VAL 116           H        VAL 116  -8.313  -6.490   0.599
  789    HA   VAL 116           HA       VAL 116 -10.205  -4.382  -0.037
  790    HB   VAL 116           HB       VAL 116  -8.191  -3.339  -0.821
  791   1HG1  VAL 116          1HG1      VAL 116  -7.497  -6.054  -1.617
  792   2HG1  VAL 116          2HG1      VAL 116  -7.144  -4.854  -2.863
  793   3HG1  VAL 116          3HG1      VAL 116  -6.457  -4.679  -1.247
  794   1HG2  VAL 116          1HG2      VAL 116  -8.618  -3.239  -3.282
  795   2HG2  VAL 116          2HG2      VAL 116  -9.797  -4.535  -3.074
  796   3HG2  VAL 116          3HG2      VAL 116 -10.044  -2.980  -2.278
  797    H    HIS 117           H        HIS 117 -11.855  -5.138  -1.184
  798    HA   HIS 117           HA       HIS 117 -11.970  -7.846  -2.053
  799   1HB   HIS 117          1HB       HIS 117 -13.903  -6.246  -1.357
  800   2HB   HIS 117          2HB       HIS 117 -13.845  -5.709  -3.032
  801    HD1  HIS 117           HD1      HIS 117 -14.701  -7.336  -4.842
  802    HD2  HIS 117           HD2      HIS 117 -14.903  -8.841  -0.963
  803    HE1  HIS 117           HE1      HIS 117 -16.132  -9.400  -4.984
  804    HE2  HIS 117           HE2      HIS 117 -16.418 -10.159  -2.599
  805    H    ASP 118           H        ASP 118 -12.107  -4.791  -3.880
  806    HA   ASP 118           HA       ASP 118 -10.226  -5.664  -5.827
  807   1HB   ASP 118          1HB       ASP 118 -11.848  -5.529  -7.778
  808   2HB   ASP 118          2HB       ASP 118 -11.980  -6.969  -6.775
  809    H    ASP 119           H        ASP 119 -10.148  -4.038  -7.679
  810    HA   ASP 119           HA       ASP 119 -10.815  -1.356  -6.641
  811   1HB   ASP 119          1HB       ASP 119  -8.380  -1.822  -6.843
  812   2HB   ASP 119          2HB       ASP 119  -8.600  -2.168  -8.553
  813    H    LYS 120           H        LYS 120  -9.766  -0.875  -9.661
  814    HA   LYS 120           HA       LYS 120 -12.307  -1.499 -10.994
  815   1HB   LYS 120          1HB       LYS 120 -10.805   1.130 -11.033
  816   2HB   LYS 120          2HB       LYS 120 -12.034   0.712 -12.216
  817   1HG   LYS 120          1HG       LYS 120 -13.297   1.911 -10.759
  818   2HG   LYS 120          2HG       LYS 120 -13.488   0.308 -10.049
  819   1HD   LYS 120          1HD       LYS 120 -13.005   1.910  -8.302
  820   2HD   LYS 120          2HD       LYS 120 -11.633   0.818  -8.493
  821   1HE   LYS 120          1HE       LYS 120 -10.758   2.676 -10.110
  822   2HE   LYS 120          2HE       LYS 120 -11.881   3.705  -9.222
  823   1HZ   LYS 120          1HZ       LYS 120 -10.758   3.211  -7.188
  824   2HZ   LYS 120          2HZ       LYS 120  -9.592   3.698  -8.319
  825   3HZ   LYS 120          3HZ       LYS 120  -9.767   2.053  -7.935
  826    H    GLU 121           H        GLU 121  -9.763   0.408 -12.412
  827    HA   GLU 121           HA       GLU 121  -8.179  -1.862 -13.196
  828   1HB   GLU 121          1HB       GLU 121  -8.389  -0.734 -15.674
  829   2HB   GLU 121          2HB       GLU 121  -9.217  -2.195 -15.159
  830   1HG   GLU 121          1HG       GLU 121 -11.235  -1.203 -15.125
  831   2HG   GLU 121          2HG       GLU 121 -10.591   0.338 -14.562
  832    H    ASP 122           H        ASP 122  -7.996   0.710 -11.700
  833    HA   ASP 122           HA       ASP 122  -6.279   2.452 -13.167
  834   1HB   ASP 122          1HB       ASP 122  -7.589   2.689 -10.800
  835   2HB   ASP 122          2HB       ASP 122  -5.965   2.335 -10.220
  836    H    SER 123           H        SER 123  -5.714   0.087 -10.627
  837    HA   SER 123           HA       SER 123  -3.784  -0.984  -9.942
  838   1HB   SER 123          1HB       SER 123  -3.264  -2.398 -12.296
  839   2HB   SER 123          2HB       SER 123  -4.357  -2.861 -10.991
  840    HG   SER 123           HG       SER 123  -5.348  -1.021 -12.806
  841    H    ASP 124           H        ASP 124  -2.155   0.632  -9.670
  842    HA   ASP 124           HA       ASP 124  -0.117   0.465 -11.785
  843   1HB   ASP 124          1HB       ASP 124  -1.062   2.799 -10.910
  844   2HB   ASP 124          2HB       ASP 124   0.131   2.525  -9.644
  845    H    VAL 125           H        VAL 125   2.074   0.398 -11.025
  846    HA   VAL 125           HA       VAL 125   2.902  -0.400  -8.496
  847    HB   VAL 125           HB       VAL 125   1.549  -2.380  -8.646
  848   1HG1  VAL 125          1HG1      VAL 125   1.213  -3.704 -10.470
  849   2HG1  VAL 125          2HG1      VAL 125   1.529  -2.167 -11.274
  850   3HG1  VAL 125          3HG1      VAL 125   2.808  -3.376 -11.148
  851   1HG2  VAL 125          1HG2      VAL 125   3.929  -2.624  -7.860
  852   2HG2  VAL 125          2HG2      VAL 125   3.144  -4.110  -8.391
  853   3HG2  VAL 125          3HG2      VAL 125   4.301  -3.298  -9.447
  854    H    LEU 126           H        LEU 126   3.157  -0.945 -11.945
  855    HA   LEU 126           HA       LEU 126   5.897   0.001 -11.907
  856   1HB   LEU 126          1HB       LEU 126   5.158  -2.786 -12.308
  857   2HB   LEU 126          2HB       LEU 126   6.035  -2.136 -13.680
  858    HG   LEU 126           HG       LEU 126   7.349  -1.386 -11.231
  859   1HD1  LEU 126          1HD1      LEU 126   8.094  -3.901 -10.919
  860   2HD1  LEU 126          2HD1      LEU 126   6.715  -3.230 -10.048
  861   3HD1  LEU 126          3HD1      LEU 126   6.455  -4.207 -11.491
  862   1HD2  LEU 126          1HD2      LEU 126   8.177  -1.578 -13.652
  863   2HD2  LEU 126          2HD2      LEU 126   9.251  -2.121 -12.362
  864   3HD2  LEU 126          3HD2      LEU 126   8.346  -3.300 -13.310
  865    H    THR 127           H        THR 127   3.127   0.717 -12.898
  866    HA   THR 127           HA       THR 127   3.395   0.602 -15.777
  867    HB   THR 127           HB       THR 127   1.291   2.255 -14.456
  868    HG1  THR 127           HG1      THR 127   0.162   0.472 -13.792
  869   1HG2  THR 127          1HG2      THR 127   0.804   0.194 -16.551
  870   2HG2  THR 127          2HG2      THR 127   1.683   1.656 -17.006
  871   3HG2  THR 127          3HG2      THR 127   0.056   1.777 -16.331
  872    H    LYS 128           H        LYS 128   2.826   3.287 -13.466
  873    HA   LYS 128           HA       LYS 128   4.912   4.816 -14.809
  874   1HB   LYS 128          1HB       LYS 128   3.474   6.772 -15.169
  875   2HB   LYS 128          2HB       LYS 128   2.919   5.386 -16.099
  876   1HG   LYS 128          1HG       LYS 128   1.453   5.096 -13.849
  877   2HG   LYS 128          2HG       LYS 128   1.608   6.853 -13.921
  878   1HD   LYS 128          1HD       LYS 128   0.155   6.986 -15.603
  879   2HD   LYS 128          2HD       LYS 128   1.005   5.741 -16.518
  880   1HE   LYS 128          1HE       LYS 128  -1.451   5.333 -15.793
  881   2HE   LYS 128          2HE       LYS 128  -0.271   4.031 -15.633
  882   1HZ   LYS 128          1HZ       LYS 128  -1.180   5.841 -13.455
  883   2HZ   LYS 128          2HZ       LYS 128  -0.007   4.627 -13.287
  884   3HZ   LYS 128          3HZ       LYS 128  -1.608   4.213 -13.646
  885    H    CYS 129           H        CYS 129   4.601   3.623 -12.197
  886    HA   CYS 129           HA       CYS 129   4.575   6.058 -10.544
  887   1HB   CYS 129          1HB       CYS 129   3.103   3.573 -10.274
  888   2HB   CYS 129          2HB       CYS 129   4.040   3.937  -8.828
  889    HA   PRO 130           HA       PRO 130   8.574   4.015  -9.482
  890   1HB   PRO 130          1HB       PRO 130  10.291   5.271 -11.212
  891   2HB   PRO 130          2HB       PRO 130   9.539   3.708 -11.542
  892   1HG   PRO 130          1HG       PRO 130   9.084   6.225 -12.865
  893   2HG   PRO 130          2HG       PRO 130   8.394   4.642 -13.248
  894   1HD   PRO 130          1HD       PRO 130   7.229   6.882 -11.718
  895   2HD   PRO 130          2HD       PRO 130   6.417   5.536 -12.547
  896    H    VAL 131           H        VAL 131   7.280   5.948  -8.162
  897    HA   VAL 131           HA       VAL 131   9.214   8.138  -7.819
  898    HB   VAL 131           HB       VAL 131   6.427   8.744  -7.072
  899   1HG1  VAL 131          1HG1      VAL 131   6.998  10.895  -7.588
  900   2HG1  VAL 131          2HG1      VAL 131   8.578  10.228  -7.177
  901   3HG1  VAL 131          3HG1      VAL 131   8.113  10.417  -8.869
  902   1HG2  VAL 131          1HG2      VAL 131   5.381   8.704  -9.055
  903   2HG2  VAL 131          2HG2      VAL 131   6.834   9.152  -9.953
  904   3HG2  VAL 131          3HG2      VAL 131   6.582   7.475  -9.460
  Start of MODEL    6
    1   1H    ARG  14          1H        ARG  14  -8.607 -12.590  11.816
    2    HA   ARG  14           HA       ARG  14 -11.351 -11.606  11.420
    3   1HB   ARG  14          1HB       ARG  14  -9.943 -11.259  13.756
    4   2HB   ARG  14          2HB       ARG  14  -9.598  -9.771  12.885
    5   1HG   ARG  14          1HG       ARG  14 -12.046  -9.460  12.567
    6   2HG   ARG  14          2HG       ARG  14 -12.308 -10.862  13.606
    7   1HD   ARG  14          1HD       ARG  14 -12.509  -8.744  14.837
    8   2HD   ARG  14          2HD       ARG  14 -11.188  -9.744  15.442
    9    HE   ARG  14           HE       ARG  14  -9.671  -8.279  14.155
   10   1HH1  ARG  14          1HH1      ARG  14 -12.855  -7.099  15.031
   11   2HH1  ARG  14          2HH1      ARG  14 -12.397  -5.425  14.918
   12   1HH2  ARG  14          1HH2      ARG  14  -9.066  -6.112  14.028
   13   2HH2  ARG  14          2HH2      ARG  14 -10.226  -4.860  14.360
   14    H    ILE  15           H        ILE  15  -9.611 -12.123   9.363
   15    HA   ILE  15           HA       ILE  15  -9.059  -9.409   8.385
   16    HB   ILE  15           HB       ILE  15  -7.277 -10.823   6.932
   17   1HG1  ILE  15          1HG1      ILE  15  -6.939 -11.992   9.689
   18   2HG1  ILE  15          2HG1      ILE  15  -7.851 -12.836   8.441
   19   1HG2  ILE  15          1HG2      ILE  15  -6.238  -9.031   7.762
   20   2HG2  ILE  15          2HG2      ILE  15  -7.188  -9.059   9.247
   21   3HG2  ILE  15          3HG2      ILE  15  -5.755 -10.076   9.097
   22   1HD1  ILE  15          1HD1      ILE  15  -5.216 -13.155   8.873
   23   2HD1  ILE  15          2HD1      ILE  15  -6.003 -13.431   7.318
   24   3HD1  ILE  15          3HD1      ILE  15  -5.190 -11.898   7.636
   25    HA   PRO  16           HA       PRO  16 -11.895 -11.041   5.358
   26   1HB   PRO  16          1HB       PRO  16 -12.008  -8.417   4.183
   27   2HB   PRO  16          2HB       PRO  16 -13.206  -9.210   5.205
   28   1HG   PRO  16          1HG       PRO  16 -11.739  -7.014   5.960
   29   2HG   PRO  16          2HG       PRO  16 -12.463  -8.170   7.093
   30   1HD   PRO  16          1HD       PRO  16  -9.634  -7.968   6.128
   31   2HD   PRO  16          2HD       PRO  16 -10.249  -8.352   7.751
   32    H    ASN  17           H        ASN  17 -11.697  -9.044   2.955
   33    HA   ASN  17           HA       ASN  17 -10.056 -10.796   1.369
   34   1HB   ASN  17          1HB       ASN  17 -12.249  -9.775   0.603
   35   2HB   ASN  17          2HB       ASN  17 -11.393  -8.242   0.462
   36   1HD2  ASN  17          1HD2      ASN  17 -11.748  -8.136  -1.755
   37   2HD2  ASN  17          2HD2      ASN  17 -10.877  -9.144  -2.870
   38    H    ILE  18           H        ILE  18  -8.061 -10.307   2.513
   39    HA   ILE  18           HA       ILE  18  -6.817  -7.805   1.584
   40    HB   ILE  18           HB       ILE  18  -5.028  -8.360   3.302
   41   1HG1  ILE  18          1HG1      ILE  18  -7.041  -9.941   4.806
   42   2HG1  ILE  18          2HG1      ILE  18  -6.209 -10.772   3.496
   43   1HG2  ILE  18          1HG2      ILE  18  -7.835  -7.657   4.115
   44   2HG2  ILE  18          2HG2      ILE  18  -6.454  -7.535   5.208
   45   3HG2  ILE  18          3HG2      ILE  18  -6.503  -6.565   3.736
   46   1HD1  ILE  18          1HD1      ILE  18  -5.143  -9.717   6.057
   47   2HD1  ILE  18          2HD1      ILE  18  -4.837 -11.254   5.250
   48   3HD1  ILE  18          3HD1      ILE  18  -4.076  -9.780   4.654
   49    H    ALA  19           H        ALA  19  -4.615  -7.940   0.825
   50    HA   ALA  19           HA       ALA  19  -3.788 -10.586  -0.128
   51   1HB   ALA  19          1HB       ALA  19  -3.245  -8.667  -2.175
   52   2HB   ALA  19          2HB       ALA  19  -4.205 -10.144  -2.265
   53   3HB   ALA  19          3HB       ALA  19  -4.964  -8.626  -1.784
   54    H    THR  20           H        THR  20  -1.776 -10.902   0.492
   55    HA   THR  20           HA       THR  20  -0.038  -8.740   1.214
   56    HB   THR  20           HB       THR  20   0.978 -11.512   0.755
   57    HG1  THR  20           HG1      THR  20  -0.766 -10.682   2.866
   58   1HG2  THR  20          1HG2      THR  20   2.268  -9.415   1.646
   59   2HG2  THR  20          2HG2      THR  20   2.519 -10.990   2.400
   60   3HG2  THR  20          3HG2      THR  20   1.459  -9.807   3.164
   61    H    TYR  21           H        TYR  21   0.562  -7.480  -0.450
   62    HA   TYR  21           HA       TYR  21   1.266  -8.506  -3.030
   63   1HB   TYR  21          1HB       TYR  21   1.892  -5.792  -1.841
   64   2HB   TYR  21          2HB       TYR  21   1.913  -6.217  -3.549
   65    HD1  TYR  21           HD1      TYR  21   0.185  -4.303  -1.436
   66    HD2  TYR  21           HD2      TYR  21  -0.549  -7.601  -4.019
   67    HE1  TYR  21           HE1      TYR  21  -2.173  -3.625  -1.616
   68    HE2  TYR  21           HE2      TYR  21  -2.908  -6.937  -4.209
   69    HH   TYR  21           HH       TYR  21  -4.311  -4.465  -2.213
   70    H    THR  22           H        THR  22   2.846 -10.020  -2.723
   71    HA   THR  22           HA       THR  22   5.332  -9.213  -1.427
   72    HB   THR  22           HB       THR  22   4.868 -11.940  -2.575
   73    HG1  THR  22           HG1      THR  22   3.120 -12.017  -1.334
   74   1HG2  THR  22          1HG2      THR  22   6.816 -10.677  -0.909
   75   2HG2  THR  22          2HG2      THR  22   6.800 -12.326  -1.535
   76   3HG2  THR  22          3HG2      THR  22   6.021 -11.960   0.004
   77    H    GLY  23           H        GLY  23   6.602  -8.079  -2.744
   78   1HA   GLY  23          1HA       GLY  23   7.480  -9.333  -5.229
   79   2HA   GLY  23          2HA       GLY  23   6.750  -7.737  -5.372
   80    H    THR  24           H        THR  24   9.203  -7.771  -6.275
   81    HA   THR  24           HA       THR  24  11.029  -7.126  -4.090
   82    HB   THR  24           HB       THR  24  12.408  -6.863  -6.504
   83    HG1  THR  24           HG1      THR  24  10.828  -7.905  -7.683
   84   1HG2  THR  24          1HG2      THR  24  12.483  -8.409  -4.115
   85   2HG2  THR  24          2HG2      THR  24  13.792  -8.081  -5.252
   86   3HG2  THR  24          3HG2      THR  24  12.757  -9.491  -5.480
   87    H    ILE  25           H        ILE  25  11.998  -5.171  -3.831
   88    HA   ILE  25           HA       ILE  25  11.055  -2.976  -5.554
   89    HB   ILE  25           HB       ILE  25  10.333  -2.820  -3.175
   90   1HG1  ILE  25          1HG1      ILE  25  12.285  -0.727  -4.140
   91   2HG1  ILE  25          2HG1      ILE  25  10.558  -0.790  -4.473
   92   1HG2  ILE  25          1HG2      ILE  25  12.154  -2.140  -1.531
   93   2HG2  ILE  25          2HG2      ILE  25  12.056  -3.850  -1.960
   94   3HG2  ILE  25          3HG2      ILE  25  13.294  -2.827  -2.688
   95   1HD1  ILE  25          1HD1      ILE  25  10.110   0.332  -2.626
   96   2HD1  ILE  25          2HD1      ILE  25  11.037  -0.804  -1.646
   97   3HD1  ILE  25          3HD1      ILE  25  11.845   0.562  -2.413
   98    H    GLN  26           H        GLN  26  12.577  -1.299  -6.063
   99    HA   GLN  26           HA       GLN  26  15.208  -2.331  -6.598
  100   1HB   GLN  26          1HB       GLN  26  14.665   0.548  -7.029
  101   2HB   GLN  26          2HB       GLN  26  15.439  -0.619  -8.089
  102   1HG   GLN  26          1HG       GLN  26  13.575  -0.417  -9.298
  103   2HG   GLN  26          2HG       GLN  26  12.886  -1.518  -8.108
  104   1HE2  GLN  26          1HE2      GLN  26  13.599   1.973  -8.264
  105   2HE2  GLN  26          2HE2      GLN  26  12.024   2.470  -7.736
  106    H    GLY  27           H        GLY  27  17.113  -0.844  -6.177
  107   1HA   GLY  27          1HA       GLY  27  17.294  -0.425  -3.343
  108   2HA   GLY  27          2HA       GLY  27  18.560  -0.148  -4.533
  109    H    LYS  28           H        LYS  28  17.066   1.378  -2.230
  110    HA   LYS  28           HA       LYS  28  16.685   3.541  -1.671
  111   1HB   LYS  28          1HB       LYS  28  18.052   4.417  -4.201
  112   2HB   LYS  28          2HB       LYS  28  18.030   5.212  -2.635
  113   1HG   LYS  28          1HG       LYS  28  19.366   2.558  -3.044
  114   2HG   LYS  28          2HG       LYS  28  20.192   4.085  -3.354
  115   1HD   LYS  28          1HD       LYS  28  19.525   4.746  -0.992
  116   2HD   LYS  28          2HD       LYS  28  19.096   3.049  -0.756
  117   1HE   LYS  28          1HE       LYS  28  21.445   2.498  -1.538
  118   2HE   LYS  28          2HE       LYS  28  21.799   4.219  -1.379
  119   1HZ   LYS  28          1HZ       LYS  28  22.376   2.817   0.593
  120   2HZ   LYS  28          2HZ       LYS  28  20.713   2.577   0.835
  121   3HZ   LYS  28          3HZ       LYS  28  21.358   4.137   0.928
  122    H    GLY  29           H        GLY  29  14.827   2.095  -3.461
  123   1HA   GLY  29          1HA       GLY  29  13.634   4.340  -4.940
  124   2HA   GLY  29          2HA       GLY  29  13.300   2.639  -5.234
  125    H    GLU  30           H        GLU  30  11.285   4.519  -4.921
  126    HA   GLU  30           HA       GLU  30  10.020   3.530  -2.465
  127   1HB   GLU  30          1HB       GLU  30   9.333   6.304  -3.201
  128   2HB   GLU  30          2HB       GLU  30   9.550   5.585  -1.611
  129   1HG   GLU  30          1HG       GLU  30  11.829   5.983  -1.602
  130   2HG   GLU  30          2HG       GLU  30  11.917   6.089  -3.360
  131    H    VAL  31           H        VAL  31   8.286   2.423  -3.109
  132    HA   VAL  31           HA       VAL  31   6.570   3.361  -5.280
  133    HB   VAL  31           HB       VAL  31   8.262   2.452  -6.639
  134   1HG1  VAL  31          1HG1      VAL  31   8.770   0.829  -4.309
  135   2HG1  VAL  31          2HG1      VAL  31   8.747  -0.169  -5.772
  136   3HG1  VAL  31          3HG1      VAL  31   9.838   1.213  -5.666
  137   1HG2  VAL  31          1HG2      VAL  31   6.737  -0.081  -6.381
  138   2HG2  VAL  31          2HG2      VAL  31   5.838   1.386  -6.783
  139   3HG2  VAL  31          3HG2      VAL  31   7.158   0.849  -7.824
  140    H    CYS  32           H        CYS  32   4.485   2.771  -4.451
  141    HA   CYS  32           HA       CYS  32   4.121  -0.072  -4.490
  142   1HB   CYS  32          1HB       CYS  32   4.236   1.070  -1.965
  143   2HB   CYS  32          2HB       CYS  32   2.521   0.813  -2.273
  144    H    ILE  33           H        ILE  33   1.665  -0.616  -4.177
  145    HA   ILE  33           HA       ILE  33   0.152   1.208  -5.905
  146    HB   ILE  33           HB       ILE  33  -1.357  -1.124  -5.192
  147   1HG1  ILE  33          1HG1      ILE  33   1.052  -2.003  -6.695
  148   2HG1  ILE  33          2HG1      ILE  33   1.211  -1.847  -4.946
  149   1HG2  ILE  33          1HG2      ILE  33  -0.246   0.064  -7.694
  150   2HG2  ILE  33          2HG2      ILE  33  -1.061  -1.498  -7.726
  151   3HG2  ILE  33          3HG2      ILE  33  -1.922  -0.067  -7.161
  152   1HD1  ILE  33          1HD1      ILE  33  -0.995  -3.261  -4.946
  153   2HD1  ILE  33          2HD1      ILE  33  -0.434  -3.733  -6.549
  154   3HD1  ILE  33          3HD1      ILE  33   0.581  -4.031  -5.137
  155    H    ILE  34           H        ILE  34  -2.393   0.907  -5.257
  156    HA   ILE  34           HA       ILE  34  -2.529   1.769  -2.457
  157    HB   ILE  34           HB       ILE  34  -3.405   3.437  -3.966
  158   1HG1  ILE  34          1HG1      ILE  34  -5.701   3.675  -3.091
  159   2HG1  ILE  34          2HG1      ILE  34  -5.666   1.999  -2.548
  160   1HG2  ILE  34          1HG2      ILE  34  -5.666   1.792  -4.922
  161   2HG2  ILE  34          2HG2      ILE  34  -4.775   3.084  -5.729
  162   3HG2  ILE  34          3HG2      ILE  34  -4.088   1.463  -5.637
  163   1HD1  ILE  34          1HD1      ILE  34  -4.443   2.488  -0.724
  164   2HD1  ILE  34          2HD1      ILE  34  -3.476   3.701  -1.563
  165   3HD1  ILE  34          3HD1      ILE  34  -5.091   4.108  -0.981
  166    H    GLY  35           H        GLY  35  -3.619   0.635  -0.990
  167   1HA   GLY  35          1HA       GLY  35  -5.065  -1.762  -1.922
  168   2HA   GLY  35          2HA       GLY  35  -4.191  -1.658  -0.399
  169    H    ASN  36           H        ASN  36  -6.440   0.640  -1.864
  170    HA   ASN  36           HA       ASN  36  -8.315   0.148   0.340
  171   1HB   ASN  36          1HB       ASN  36  -7.755   2.165   1.180
  172   2HB   ASN  36          2HB       ASN  36  -6.840   2.594  -0.258
  173   1HD2  ASN  36          1HD2      ASN  36 -10.064   2.507   1.139
  174   2HD2  ASN  36          2HD2      ASN  36 -10.712   3.801   0.182
  175    H    LYS  37           H        LYS  37 -10.487   0.308  -0.195
  176    HA   LYS  37           HA       LYS  37 -11.099   0.947  -2.998
  177   1HB   LYS  37          1HB       LYS  37 -12.900  -0.873  -2.829
  178   2HB   LYS  37          2HB       LYS  37 -11.238  -1.397  -3.030
  179   1HG   LYS  37          1HG       LYS  37 -11.298  -2.569  -1.148
  180   2HG   LYS  37          2HG       LYS  37 -11.931  -1.198  -0.232
  181   1HD   LYS  37          1HD       LYS  37 -14.131  -1.815  -0.579
  182   2HD   LYS  37          2HD       LYS  37 -13.759  -2.703  -2.058
  183   1HE   LYS  37          1HE       LYS  37 -12.506  -4.343  -0.558
  184   2HE   LYS  37          2HE       LYS  37 -13.304  -3.541   0.793
  185   1HZ   LYS  37          1HZ       LYS  37 -14.580  -5.448   0.156
  186   2HZ   LYS  37          2HZ       LYS  37 -14.630  -4.952  -1.465
  187   3HZ   LYS  37          3HZ       LYS  37 -15.453  -4.062  -0.278
  188    H    GLU  38           H        GLU  38 -12.371   2.636  -3.059
  189    HA   GLU  38           HA       GLU  38 -13.950   4.186  -2.592
  190   1HB   GLU  38          1HB       GLU  38 -15.196   1.692  -2.192
  191   2HB   GLU  38          2HB       GLU  38 -15.688   2.697  -0.835
  192   1HG   GLU  38          1HG       GLU  38 -15.847   4.170  -3.299
  193   2HG   GLU  38          2HG       GLU  38 -16.762   2.667  -3.403
  194    H    GLY  39           H        GLY  39 -15.597   4.224  -0.112
  195   1HA   GLY  39          1HA       GLY  39 -13.562   4.553   1.971
  196   2HA   GLY  39          2HA       GLY  39 -14.523   5.958   1.532
  197    H    LYS  40           H        LYS  40 -16.816   5.857   1.833
  198    HA   LYS  40           HA       LYS  40 -18.646   5.562   3.137
  199   1HB   LYS  40          1HB       LYS  40 -17.658   2.714   2.996
  200   2HB   LYS  40          2HB       LYS  40 -19.173   3.162   3.765
  201   1HG   LYS  40          1HG       LYS  40 -19.975   4.074   1.644
  202   2HG   LYS  40          2HG       LYS  40 -18.459   3.598   0.876
  203   1HD   LYS  40          1HD       LYS  40 -18.931   1.248   1.491
  204   2HD   LYS  40          2HD       LYS  40 -20.486   1.761   2.150
  205   1HE   LYS  40          1HE       LYS  40 -19.602   2.128  -0.710
  206   2HE   LYS  40          2HE       LYS  40 -20.664   0.844  -0.136
  207   1HZ   LYS  40          1HZ       LYS  40 -22.000   2.888   0.792
  208   2HZ   LYS  40          2HZ       LYS  40 -22.193   2.362  -0.810
  209   3HZ   LYS  40          3HZ       LYS  40 -21.208   3.701  -0.470
  210    H    THR  41           H        THR  41 -17.818   2.920   4.967
  211    HA   THR  41           HA       THR  41 -16.324   4.254   7.040
  212    HB   THR  41           HB       THR  41 -18.915   3.065   7.966
  213    HG1  THR  41           HG1      THR  41 -18.584   5.526   6.647
  214   1HG2  THR  41          1HG2      THR  41 -18.324   5.321   9.441
  215   2HG2  THR  41          2HG2      THR  41 -16.735   4.666   9.053
  216   3HG2  THR  41          3HG2      THR  41 -17.924   3.663   9.887
  217    H    ARG  42           H        ARG  42 -18.304   1.488   6.096
  218    HA   ARG  42           HA       ARG  42 -16.147  -0.296   7.025
  219   1HB   ARG  42          1HB       ARG  42 -18.671  -0.298   8.027
  220   2HB   ARG  42          2HB       ARG  42 -18.867  -1.415   6.687
  221   1HG   ARG  42          1HG       ARG  42 -17.009  -2.769   7.576
  222   2HG   ARG  42          2HG       ARG  42 -16.897  -1.667   8.949
  223   1HD   ARG  42          1HD       ARG  42 -18.839  -3.800   8.392
  224   2HD   ARG  42          2HD       ARG  42 -18.296  -3.136   9.932
  225    HE   ARG  42           HE       ARG  42 -20.511  -2.154   8.281
  226   1HH1  ARG  42          1HH1      ARG  42 -18.630  -1.968  11.231
  227   2HH1  ARG  42          2HH1      ARG  42 -19.718  -0.846  12.003
  228   1HH2  ARG  42          1HH2      ARG  42 -21.959  -0.719   9.298
  229   2HH2  ARG  42          2HH2      ARG  42 -21.616  -0.152  10.906
  230    H    GLY  43           H        GLY  43 -15.065  -0.458   5.079
  231   1HA   GLY  43          1HA       GLY  43 -16.354  -2.059   3.044
  232   2HA   GLY  43          2HA       GLY  43 -16.018  -0.411   2.533
  233    H    GLY  44           H        GLY  44 -13.811   0.324   2.600
  234   1HA   GLY  44          1HA       GLY  44 -11.753  -1.736   2.748
  235   2HA   GLY  44          2HA       GLY  44 -12.000  -0.977   1.179
  236    H    GLU  45           H        GLU  45 -11.799   0.065   4.555
  237    HA   GLU  45           HA       GLU  45 -10.815   2.628   4.073
  238   1HB   GLU  45          1HB       GLU  45 -10.246   0.968   6.531
  239   2HB   GLU  45          2HB       GLU  45 -10.324   2.720   6.421
  240   1HG   GLU  45          1HG       GLU  45 -12.360   2.322   7.324
  241   2HG   GLU  45          2HG       GLU  45 -12.787   2.204   5.619
  242    H    LEU  46           H        LEU  46  -8.669   3.464   4.831
  243    HA   LEU  46           HA       LEU  46  -6.615   2.250   3.287
  244   1HB   LEU  46          1HB       LEU  46  -6.197   4.410   5.343
  245   2HB   LEU  46          2HB       LEU  46  -5.266   4.101   3.891
  246    HG   LEU  46           HG       LEU  46  -7.979   4.650   3.152
  247   1HD1  LEU  46          1HD1      LEU  46  -7.607   7.173   3.936
  248   2HD1  LEU  46          2HD1      LEU  46  -8.525   6.002   4.884
  249   3HD1  LEU  46          3HD1      LEU  46  -6.843   6.342   5.294
  250   1HD2  LEU  46          1HD2      LEU  46  -5.790   6.600   2.705
  251   2HD2  LEU  46          2HD2      LEU  46  -5.588   4.979   2.039
  252   3HD2  LEU  46          3HD2      LEU  46  -6.983   5.956   1.579
  253    H    TYR  47           H        TYR  47  -6.313   0.195   4.162
  254    HA   TYR  47           HA       TYR  47  -4.738   0.172   6.642
  255   1HB   TYR  47          1HB       TYR  47  -6.926  -0.772   7.155
  256   2HB   TYR  47          2HB       TYR  47  -6.812  -1.860   5.778
  257    HD1  TYR  47           HD1      TYR  47  -5.890  -3.993   6.035
  258    HD2  TYR  47           HD2      TYR  47  -5.181  -1.048   9.025
  259    HE1  TYR  47           HE1      TYR  47  -4.858  -5.705   7.469
  260    HE2  TYR  47           HE2      TYR  47  -4.146  -2.750  10.464
  261    HH   TYR  47           HH       TYR  47  -4.465  -5.496  10.590
  262    H    ALA  48           H        ALA  48  -2.750  -0.497   6.255
  263    HA   ALA  48           HA       ALA  48  -2.273  -2.809   4.563
  264   1HB   ALA  48          1HB       ALA  48  -1.132  -1.821   2.884
  265   2HB   ALA  48          2HB       ALA  48  -2.118  -0.421   3.313
  266   3HB   ALA  48          3HB       ALA  48  -0.471  -0.563   3.930
  267    H    VAL  49           H        VAL  49  -1.012  -4.062   5.809
  268    HA   VAL  49           HA       VAL  49   0.948  -2.700   7.520
  269    HB   VAL  49           HB       VAL  49  -0.288  -4.063   8.938
  270   1HG1  VAL  49          1HG1      VAL  49  -0.092  -6.358   7.000
  271   2HG1  VAL  49          2HG1      VAL  49  -0.983  -6.322   8.522
  272   3HG1  VAL  49          3HG1      VAL  49  -1.494  -5.299   7.179
  273   1HG2  VAL  49          1HG2      VAL  49   2.200  -4.392   9.070
  274   2HG2  VAL  49          2HG2      VAL  49   1.223  -5.676   9.785
  275   3HG2  VAL  49          3HG2      VAL  49   1.968  -5.911   8.203
  276    H    LEU  50           H        LEU  50   2.764  -2.410   6.471
  277    HA   LEU  50           HA       LEU  50   3.719  -4.187   4.440
  278   1HB   LEU  50          1HB       LEU  50   4.226  -1.789   4.380
  279   2HB   LEU  50          2HB       LEU  50   5.098  -1.926   5.894
  280    HG   LEU  50           HG       LEU  50   6.784  -3.338   4.822
  281   1HD1  LEU  50          1HD1      LEU  50   4.998  -4.113   3.061
  282   2HD1  LEU  50          2HD1      LEU  50   5.646  -2.763   2.131
  283   3HD1  LEU  50          3HD1      LEU  50   6.713  -4.069   2.653
  284   1HD2  LEU  50          1HD2      LEU  50   7.908  -1.631   3.697
  285   2HD2  LEU  50          2HD2      LEU  50   6.413  -0.925   3.081
  286   3HD2  LEU  50          3HD2      LEU  50   6.819  -0.776   4.791
  287    H    HIS  51           H        HIS  51   4.710  -6.036   4.780
  288    HA   HIS  51           HA       HIS  51   5.990  -6.519   7.387
  289   1HB   HIS  51          1HB       HIS  51   4.529  -8.280   5.457
  290   2HB   HIS  51          2HB       HIS  51   5.770  -8.987   6.485
  291    HD1  HIS  51           HD1      HIS  51   5.353  -8.019   9.177
  292    HD2  HIS  51           HD2      HIS  51   2.123  -8.607   6.611
  293    HE1  HIS  51           HE1      HIS  51   3.327  -8.250  10.662
  294    HE2  HIS  51           HE2      HIS  51   1.408  -8.735   9.100
  295    H    SER  52           H        SER  52   7.927  -7.797   7.395
  296    HA   SER  52           HA       SER  52   9.439  -7.689   4.872
  297   1HB   SER  52          1HB       SER  52  10.065  -6.529   7.495
  298   2HB   SER  52          2HB       SER  52  11.381  -7.467   6.794
  299    HG   SER  52           HG       SER  52  11.391  -5.239   6.161
  300    H    THR  53           H        THR  53  10.462  -9.523   4.312
  301    HA   THR  53           HA       THR  53  10.248 -11.798   6.153
  302    HB   THR  53           HB       THR  53  10.951 -12.877   3.750
  303    HG1  THR  53           HG1      THR  53  10.769 -11.237   2.376
  304   1HG2  THR  53          1HG2      THR  53   9.042 -13.936   4.202
  305   2HG2  THR  53          2HG2      THR  53   8.129 -12.514   3.696
  306   3HG2  THR  53          3HG2      THR  53   8.629 -12.689   5.379
  307    H    ASN  54           H        ASN  54  12.560  -9.614   5.163
  308    HA   ASN  54           HA       ASN  54  14.734 -11.582   5.316
  309   1HB   ASN  54          1HB       ASN  54  15.464  -9.551   3.437
  310   2HB   ASN  54          2HB       ASN  54  15.306 -11.284   3.167
  311   1HD2  ASN  54          1HD2      ASN  54  13.889  -8.186   2.722
  312   2HD2  ASN  54          2HD2      ASN  54  12.523  -8.700   1.787
  313    H    VAL  55           H        VAL  55  16.872 -10.521   5.627
  314    HA   VAL  55           HA       VAL  55  16.613  -8.459   7.642
  315    HB   VAL  55           HB       VAL  55  19.258  -9.441   6.615
  316   1HG1  VAL  55          1HG1      VAL  55  18.200  -8.166   9.081
  317   2HG1  VAL  55          2HG1      VAL  55  19.573  -9.263   9.236
  318   3HG1  VAL  55          3HG1      VAL  55  19.689  -7.846   8.192
  319   1HG2  VAL  55          1HG2      VAL  55  19.058 -11.202   8.468
  320   2HG2  VAL  55          2HG2      VAL  55  17.319 -10.932   8.358
  321   3HG2  VAL  55          3HG2      VAL  55  18.211 -11.514   6.952
  322    H    ASN  56           H        ASN  56  17.181  -6.407   7.480
  323    HA   ASN  56           HA       ASN  56  17.822  -4.407   6.660
  324   1HB   ASN  56          1HB       ASN  56  19.482  -6.174   4.907
  325   2HB   ASN  56          2HB       ASN  56  19.298  -4.471   4.480
  326   1HD2  ASN  56          1HD2      ASN  56  19.168  -3.385   7.037
  327   2HD2  ASN  56          2HD2      ASN  56  20.712  -3.567   7.802
  328    H    ALA  57           H        ALA  57  15.541  -6.128   5.645
  329    HA   ALA  57           HA       ALA  57  14.859  -4.841   3.169
  330   1HB   ALA  57          1HB       ALA  57  13.327  -6.460   3.171
  331   2HB   ALA  57          2HB       ALA  57  13.738  -6.885   4.832
  332   3HB   ALA  57          3HB       ALA  57  12.511  -5.660   4.514
  333    H    ASP  58           H        ASP  58  15.709  -2.837   4.225
  334    HA   ASP  58           HA       ASP  58  14.247  -1.555   6.311
  335   1HB   ASP  58          1HB       ASP  58  16.655  -1.063   4.712
  336   2HB   ASP  58          2HB       ASP  58  15.768   0.404   5.111
  337    H    MET  59           H        MET  59  12.138  -1.679   5.282
  338    HA   MET  59           HA       MET  59  11.786   0.355   3.189
  339   1HB   MET  59          1HB       MET  59  10.140  -2.127   3.718
  340   2HB   MET  59          2HB       MET  59   9.807  -0.931   2.470
  341   1HG   MET  59          1HG       MET  59  11.773  -1.501   1.276
  342   2HG   MET  59          2HG       MET  59  12.381  -2.479   2.610
  343   1HE   MET  59          1HE       MET  59   9.306  -4.378   3.147
  344   2HE   MET  59          2HE       MET  59  10.467  -5.612   2.656
  345   3HE   MET  59          3HE       MET  59  10.992  -4.252   3.647
  346    H    THR  60           H        THR  60  10.661   2.059   3.719
  347    HA   THR  60           HA       THR  60   9.066   1.994   6.183
  348    HB   THR  60           HB       THR  60   9.361   4.597   4.893
  349    HG1  THR  60           HG1      THR  60  11.533   2.958   4.964
  350   1HG2  THR  60          1HG2      THR  60  10.599   4.050   7.511
  351   2HG2  THR  60          2HG2      THR  60   8.876   3.691   7.397
  352   3HG2  THR  60          3HG2      THR  60   9.466   5.314   7.035
  353    H    LEU  61           H        LEU  61   6.890   2.027   6.060
  354    HA   LEU  61           HA       LEU  61   5.697   2.141   3.412
  355   1HB   LEU  61          1HB       LEU  61   5.004   0.391   5.020
  356   2HB   LEU  61          2HB       LEU  61   4.394   1.639   6.092
  357    HG   LEU  61           HG       LEU  61   2.742   2.297   4.398
  358   1HD1  LEU  61          1HD1      LEU  61   3.249  -0.113   2.768
  359   2HD1  LEU  61          2HD1      LEU  61   2.632   1.471   2.297
  360   3HD1  LEU  61          3HD1      LEU  61   4.362   1.238   2.557
  361   1HD2  LEU  61          1HD2      LEU  61   2.548  -0.672   4.756
  362   2HD2  LEU  61          2HD2      LEU  61   2.385   0.438   6.117
  363   3HD2  LEU  61          3HD2      LEU  61   1.259   0.535   4.763
  364    H    ILE  62           H        ILE  62   5.247   4.058   2.615
  365    HA   ILE  62           HA       ILE  62   4.372   6.150   4.490
  366    HB   ILE  62           HB       ILE  62   6.590   6.650   3.794
  367   1HG1  ILE  62          1HG1      ILE  62   4.755   8.356   2.109
  368   2HG1  ILE  62          2HG1      ILE  62   5.000   8.552   3.842
  369   1HG2  ILE  62          1HG2      ILE  62   6.063   5.246   1.537
  370   2HG2  ILE  62          2HG2      ILE  62   6.119   6.898   0.923
  371   3HG2  ILE  62          3HG2      ILE  62   7.498   6.236   1.802
  372   1HD1  ILE  62          1HD1      ILE  62   7.302   9.102   3.513
  373   2HD1  ILE  62          2HD1      ILE  62   7.187   8.739   1.791
  374   3HD1  ILE  62          3HD1      ILE  62   6.318  10.120   2.461
  375    H    LEU  63           H        LEU  63   2.569   7.251   4.022
  376    HA   LEU  63           HA       LEU  63   0.894   6.288   1.891
  377   1HB   LEU  63          1HB       LEU  63   0.454   7.374   4.386
  378   2HB   LEU  63          2HB       LEU  63  -0.047   8.663   3.306
  379    HG   LEU  63           HG       LEU  63  -1.102   5.843   3.332
  380   1HD1  LEU  63          1HD1      LEU  63  -1.892   8.287   4.695
  381   2HD1  LEU  63          2HD1      LEU  63  -3.202   7.535   3.784
  382   3HD1  LEU  63          3HD1      LEU  63  -2.341   6.612   5.016
  383   1HD2  LEU  63          1HD2      LEU  63  -2.844   7.373   1.866
  384   2HD2  LEU  63          2HD2      LEU  63  -1.264   7.960   1.345
  385   3HD2  LEU  63          3HD2      LEU  63  -1.657   6.245   1.211
  386    H    LEU  64           H        LEU  64   0.204   7.396   0.100
  387    HA   LEU  64           HA       LEU  64   1.948   9.610  -0.649
  388   1HB   LEU  64          1HB       LEU  64   2.087   6.880  -1.593
  389   2HB   LEU  64          2HB       LEU  64   1.903   8.030  -2.907
  390    HG   LEU  64           HG       LEU  64   4.273   7.496  -2.369
  391   1HD1  LEU  64          1HD1      LEU  64   3.193  10.268  -2.221
  392   2HD1  LEU  64          2HD1      LEU  64   4.917   9.998  -1.982
  393   3HD1  LEU  64          3HD1      LEU  64   4.150   9.494  -3.485
  394   1HD2  LEU  64          1HD2      LEU  64   3.735   9.003   0.181
  395   2HD2  LEU  64          2HD2      LEU  64   3.946   7.255   0.070
  396   3HD2  LEU  64          3HD2      LEU  64   5.278   8.333  -0.353
  397    H    ARG  65           H        ARG  65   1.545   9.975  -3.075
  398    HA   ARG  65           HA       ARG  65  -0.814  11.585  -2.922
  399   1HB   ARG  65          1HB       ARG  65   1.808  11.585  -4.128
  400   2HB   ARG  65          2HB       ARG  65   0.575  12.307  -5.153
  401   1HG   ARG  65          1HG       ARG  65   1.171  13.124  -2.313
  402   2HG   ARG  65          2HG       ARG  65   1.721  13.974  -3.758
  403   1HD   ARG  65          1HD       ARG  65  -0.656  14.277  -4.413
  404   2HD   ARG  65          2HD       ARG  65  -1.131  13.556  -2.876
  405    HE   ARG  65           HE       ARG  65   0.238  16.134  -3.227
  406   1HH1  ARG  65          1HH1      ARG  65  -1.613  13.904  -1.264
  407   2HH1  ARG  65          2HH1      ARG  65  -1.831  15.025   0.043
  408   1HH2  ARG  65          1HH2      ARG  65  -0.068  17.633  -1.530
  409   2HH2  ARG  65          2HH2      ARG  65  -0.968  17.158  -0.117
  410    H    ASN  66           H        ASN  66  -1.098  12.327  -5.454
  411    HA   ASN  66           HA       ASN  66  -3.141  10.915  -6.584
  412   1HB   ASN  66          1HB       ASN  66  -2.543  12.170  -8.662
  413   2HB   ASN  66          2HB       ASN  66  -2.496  13.197  -7.227
  414   1HD2  ASN  66          1HD2      ASN  66  -0.390  11.167  -9.267
  415   2HD2  ASN  66          2HD2      ASN  66   1.063  12.062  -9.010
  416    H    VAL  67           H        VAL  67  -3.249   9.676  -8.588
  417    HA   VAL  67           HA       VAL  67  -0.761   8.290  -9.272
  418    HB   VAL  67           HB       VAL  67  -1.826   6.729  -7.884
  419   1HG1  VAL  67          1HG1      VAL  67  -4.145   7.981  -8.367
  420   2HG1  VAL  67          2HG1      VAL  67  -4.368   6.552  -9.374
  421   3HG1  VAL  67          3HG1      VAL  67  -4.047   6.374  -7.649
  422   1HG2  VAL  67          1HG2      VAL  67  -1.425   6.200 -10.607
  423   2HG2  VAL  67          2HG2      VAL  67  -1.436   5.041  -9.277
  424   3HG2  VAL  67          3HG2      VAL  67  -2.921   5.375 -10.168
  425    H    GLY  68           H        GLY  68  -0.357   8.134 -11.341
  426   1HA   GLY  68          1HA       GLY  68  -1.674   7.703 -13.576
  427   2HA   GLY  68          2HA       GLY  68  -2.267   9.322 -13.206
  428    H    GLY  69           H        GLY  69  -0.089  10.524 -12.168
  429   1HA   GLY  69          1HA       GLY  69   2.033  10.242 -14.207
  430   2HA   GLY  69          2HA       GLY  69   1.482  11.815 -13.636
  431    H    ASN  70           H        ASN  70   4.145  11.216 -13.426
  432    HA   ASN  70           HA       ASN  70   4.719   9.974 -10.895
  433   1HB   ASN  70          1HB       ASN  70   6.220  10.000 -12.987
  434   2HB   ASN  70          2HB       ASN  70   6.675  11.623 -12.479
  435   1HD2  ASN  70          1HD2      ASN  70   6.443   8.301 -11.289
  436   2HD2  ASN  70          2HD2      ASN  70   7.845   8.388 -10.274
  437    H    GLY  71           H        GLY  71   3.403  11.323  -9.549
  438   1HA   GLY  71          1HA       GLY  71   4.896  13.725  -8.694
  439   2HA   GLY  71          2HA       GLY  71   3.137  13.724  -8.763
  440    H    TRP  72           H        TRP  72   5.554  11.420  -7.588
  441    HA   TRP  72           HA       TRP  72   3.850  10.819  -5.320
  442   1HB   TRP  72          1HB       TRP  72   6.396   9.553  -6.356
  443   2HB   TRP  72          2HB       TRP  72   5.470   8.953  -4.981
  444    HD1  TRP  72           HD1      TRP  72   5.810   8.361  -8.558
  445    HE1  TRP  72           HE1      TRP  72   3.791   7.085  -9.508
  446    HE3  TRP  72           HE3      TRP  72   2.642   9.001  -4.673
  447    HZ2  TRP  72           HZ2      TRP  72   1.161   6.457  -8.683
  448    HZ3  TRP  72           HZ3      TRP  72   0.392   8.057  -4.806
  449    HH2  TRP  72           HH2      TRP  72  -0.343   6.816  -6.763
  450    H    GLY  73           H        GLY  73   4.271  12.978  -4.309
  451   1HA   GLY  73          1HA       GLY  73   6.828  12.905  -2.829
  452   2HA   GLY  73          2HA       GLY  73   6.165  14.398  -3.465
  453    H    GLU  74           H        GLU  74   3.972  12.080  -2.044
  454    HA   GLU  74           HA       GLU  74   3.484  13.883   0.187
  455   1HB   GLU  74          1HB       GLU  74   1.604  12.764  -1.043
  456   2HB   GLU  74          2HB       GLU  74   2.164  11.225  -0.411
  457   1HG   GLU  74          1HG       GLU  74   0.219  12.270   0.787
  458   2HG   GLU  74          2HG       GLU  74   1.581  11.798   1.797
  459    H    ILE  75           H        ILE  75   3.523  13.091   2.443
  460    HA   ILE  75           HA       ILE  75   5.555  11.006   2.813
  461    HB   ILE  75           HB       ILE  75   6.491  12.774   4.595
  462   1HG1  ILE  75          1HG1      ILE  75   6.388  14.764   2.515
  463   2HG1  ILE  75          2HG1      ILE  75   4.751  14.331   3.004
  464   1HG2  ILE  75          1HG2      ILE  75   7.195  12.344   1.716
  465   2HG2  ILE  75          2HG2      ILE  75   8.141  13.432   2.732
  466   3HG2  ILE  75          3HG2      ILE  75   7.994  11.728   3.163
  467   1HD1  ILE  75          1HD1      ILE  75   6.303  14.640   5.350
  468   2HD1  ILE  75          2HD1      ILE  75   6.601  16.030   4.303
  469   3HD1  ILE  75          3HD1      ILE  75   4.953  15.624   4.780
  470    H    LYS  76           H        LYS  76   3.202  10.165   3.596
  471    HA   LYS  76           HA       LYS  76   3.138  10.673   6.499
  472   1HB   LYS  76          1HB       LYS  76   1.000  10.548   5.025
  473   2HB   LYS  76          2HB       LYS  76   1.260   8.809   5.071
  474   1HG   LYS  76          1HG       LYS  76   1.289  10.254   7.656
  475   2HG   LYS  76          2HG       LYS  76  -0.265  10.076   6.839
  476   1HD   LYS  76          1HD       LYS  76  -0.141   7.724   6.899
  477   2HD   LYS  76          2HD       LYS  76   1.580   7.743   7.289
  478   1HE   LYS  76          1HE       LYS  76   0.034   9.188   9.257
  479   2HE   LYS  76          2HE       LYS  76  -0.550   7.535   9.073
  480   1HZ   LYS  76          1HZ       LYS  76   1.950   6.954   9.248
  481   2HZ   LYS  76          2HZ       LYS  76   1.081   7.308  10.654
  482   3HZ   LYS  76          3HZ       LYS  76   2.091   8.483   9.962
  483    H    ARG  77           H        ARG  77   4.886   9.570   7.325
  484    HA   ARG  77           HA       ARG  77   5.564   6.985   6.162
  485   1HB   ARG  77          1HB       ARG  77   7.008   9.136   7.432
  486   2HB   ARG  77          2HB       ARG  77   7.407   7.594   8.177
  487   1HG   ARG  77          1HG       ARG  77   8.489   6.838   6.353
  488   2HG   ARG  77          2HG       ARG  77   7.383   7.634   5.232
  489   1HD   ARG  77          1HD       ARG  77   9.423   8.755   4.953
  490   2HD   ARG  77          2HD       ARG  77   8.459   9.819   5.977
  491    HE   ARG  77           HE       ARG  77  10.709   8.132   6.873
  492   1HH1  ARG  77          1HH1      ARG  77   8.484  10.799   7.403
  493   2HH1  ARG  77          2HH1      ARG  77   9.302  11.362   8.832
  494   1HH2  ARG  77          1HH2      ARG  77  11.788   8.872   8.728
  495   2HH2  ARG  77          2HH2      ARG  77  11.205  10.278   9.571
  496    H    ASN  78           H        ASN  78   5.075   5.111   7.048
  497    HA   ASN  78           HA       ASN  78   4.789   4.960   9.979
  498   1HB   ASN  78          1HB       ASN  78   3.077   3.956   7.895
  499   2HB   ASN  78          2HB       ASN  78   3.747   2.598   8.799
  500   1HD2  ASN  78          1HD2      ASN  78   1.952   1.996   9.884
  501   2HD2  ASN  78          2HD2      ASN  78   1.131   2.984  11.040
  502    H    ASP  79           H        ASP  79   5.580   2.921  10.913
  503    HA   ASP  79           HA       ASP  79   8.274   2.543  10.037
  504   1HB   ASP  79          1HB       ASP  79   7.220   2.596  12.445
  505   2HB   ASP  79          2HB       ASP  79   7.009   0.870  12.165
  506    H    ILE  80           H        ILE  80   9.182   0.204  10.193
  507    HA   ILE  80           HA       ILE  80   7.928  -1.325   8.099
  508    HB   ILE  80           HB       ILE  80  10.366  -1.085   8.159
  509   1HG1  ILE  80          1HG1      ILE  80  10.975  -3.512   7.954
  510   2HG1  ILE  80          2HG1      ILE  80   9.379  -3.913   8.576
  511   1HG2  ILE  80          1HG2      ILE  80  11.119  -0.970  10.301
  512   2HG2  ILE  80          2HG2      ILE  80  10.035  -2.241  10.871
  513   3HG2  ILE  80          3HG2      ILE  80  11.484  -2.662   9.957
  514   1HD1  ILE  80          1HD1      ILE  80   8.443  -2.601   6.630
  515   2HD1  ILE  80          2HD1      ILE  80  10.083  -2.589   5.978
  516   3HD1  ILE  80          3HD1      ILE  80   9.248  -4.120   6.241
  517    H    ASP  81           H        ASP  81   7.224  -3.479   8.263
  518    HA   ASP  81           HA       ASP  81   5.871  -5.066   9.130
  519   1HB   ASP  81          1HB       ASP  81   8.245  -5.242  10.511
  520   2HB   ASP  81          2HB       ASP  81   7.059  -5.133  11.810
  521    H    LYS  82           H        LYS  82   4.705  -2.757   9.127
  522    HA   LYS  82           HA       LYS  82   3.175  -2.656  11.610
  523   1HB   LYS  82          1HB       LYS  82   5.179  -0.748  10.976
  524   2HB   LYS  82          2HB       LYS  82   3.620   0.042  10.769
  525   1HG   LYS  82          1HG       LYS  82   3.309   0.184  12.960
  526   2HG   LYS  82          2HG       LYS  82   3.697  -1.521  13.195
  527   1HD   LYS  82          1HD       LYS  82   5.927   0.353  12.621
  528   2HD   LYS  82          2HD       LYS  82   5.190   0.416  14.222
  529   1HE   LYS  82          1HE       LYS  82   5.742  -1.839  14.668
  530   2HE   LYS  82          2HE       LYS  82   6.124  -2.158  12.976
  531   1HZ   LYS  82          1HZ       LYS  82   8.133  -1.943  14.264
  532   2HZ   LYS  82          2HZ       LYS  82   7.671  -0.411  14.820
  533   3HZ   LYS  82          3HZ       LYS  82   8.028  -0.647  13.178
  534    HA   PRO  83           HA       PRO  83  -0.020  -1.943   8.624
  535   1HB   PRO  83          1HB       PRO  83  -1.922  -1.552  10.715
  536   2HB   PRO  83          2HB       PRO  83  -1.623  -3.025   9.794
  537   1HG   PRO  83          1HG       PRO  83  -1.105  -2.707  12.497
  538   2HG   PRO  83          2HG       PRO  83  -0.373  -3.941  11.458
  539   1HD   PRO  83          1HD       PRO  83   0.748  -1.328  12.378
  540   2HD   PRO  83          2HD       PRO  83   1.563  -2.893  12.156
  541    H    LEU  84           H        LEU  84  -0.046  -0.026   7.603
  542    HA   LEU  84           HA       LEU  84  -0.436   2.447   9.052
  543   1HB   LEU  84          1HB       LEU  84   0.777   1.899   6.692
  544   2HB   LEU  84          2HB       LEU  84  -0.803   2.402   6.121
  545    HG   LEU  84           HG       LEU  84   0.814   4.098   8.015
  546   1HD1  LEU  84          1HD1      LEU  84   2.041   5.007   6.359
  547   2HD1  LEU  84          2HD1      LEU  84   1.776   3.446   5.582
  548   3HD1  LEU  84          3HD1      LEU  84   0.758   4.825   5.163
  549   1HD2  LEU  84          1HD2      LEU  84  -0.724   5.680   6.347
  550   2HD2  LEU  84          2HD2      LEU  84  -1.763   4.297   6.691
  551   3HD2  LEU  84          3HD2      LEU  84  -1.097   5.252   8.016
  552    H    LYS  85           H        LYS  85  -2.366   2.669   9.929
  553    HA   LYS  85           HA       LYS  85  -4.712   2.270   8.194
  554   1HB   LYS  85          1HB       LYS  85  -5.512   2.082  10.922
  555   2HB   LYS  85          2HB       LYS  85  -5.620   0.855   9.670
  556   1HG   LYS  85          1HG       LYS  85  -4.228  -0.366  10.890
  557   2HG   LYS  85          2HG       LYS  85  -2.962   0.789  10.471
  558   1HD   LYS  85          1HD       LYS  85  -3.975   2.145  12.474
  559   2HD   LYS  85          2HD       LYS  85  -4.584   0.562  12.962
  560   1HE   LYS  85          1HE       LYS  85  -2.110  -0.177  12.510
  561   2HE   LYS  85          2HE       LYS  85  -1.775   1.538  12.743
  562   1HZ   LYS  85          1HZ       LYS  85  -1.652   0.019  14.759
  563   2HZ   LYS  85          2HZ       LYS  85  -3.350  -0.006  14.714
  564   3HZ   LYS  85          3HZ       LYS  85  -2.527   1.463  14.924
  565    H    TYR  86           H        TYR  86  -5.336   4.251   7.671
  566    HA   TYR  86           HA       TYR  86  -4.917   6.447   9.503
  567   1HB   TYR  86          1HB       TYR  86  -5.074   6.227   6.713
  568   2HB   TYR  86          2HB       TYR  86  -6.504   7.140   7.185
  569    HD1  TYR  86           HD1      TYR  86  -5.398   9.000   5.836
  570    HD2  TYR  86           HD2      TYR  86  -3.744   7.470   9.446
  571    HE1  TYR  86           HE1      TYR  86  -4.032  11.034   6.069
  572    HE2  TYR  86           HE2      TYR  86  -2.377   9.496   9.688
  573    HH   TYR  86           HH       TYR  86  -2.814  12.154   8.592
  574    H    GLU  87           H        GLU  87  -6.280   7.039  10.965
  575    HA   GLU  87           HA       GLU  87  -8.748   5.808  11.422
  576   1HB   GLU  87          1HB       GLU  87  -9.031   7.501  13.184
  577   2HB   GLU  87          2HB       GLU  87  -7.414   6.812  13.197
  578   1HG   GLU  87          1HG       GLU  87  -7.906   9.351  11.715
  579   2HG   GLU  87          2HG       GLU  87  -7.772   9.383  13.471
  580    H    ASP  88           H        ASP  88  -7.942   8.511   9.444
  581    HA   ASP  88           HA       ASP  88 -10.770   8.916   8.829
  582   1HB   ASP  88          1HB       ASP  88 -10.247  10.646  10.466
  583   2HB   ASP  88          2HB       ASP  88  -8.828  11.127   9.544
  584    H    TYR  89           H        TYR  89 -11.162   9.493   6.716
  585    HA   TYR  89           HA       TYR  89  -8.811   9.557   4.940
  586   1HB   TYR  89          1HB       TYR  89 -11.038   9.017   3.356
  587   2HB   TYR  89          2HB       TYR  89  -9.791   7.876   3.838
  588    HD1  TYR  89           HD1      TYR  89 -10.214   6.192   5.487
  589    HD2  TYR  89           HD2      TYR  89 -13.185   9.103   4.583
  590    HE1  TYR  89           HE1      TYR  89 -11.875   4.868   6.721
  591    HE2  TYR  89           HE2      TYR  89 -14.858   7.784   5.811
  592    HH   TYR  89           HH       TYR  89 -14.957   6.111   7.560
  593    H    TYR  90           H        TYR  90 -10.993  11.476   6.342
  594    HA   TYR  90           HA       TYR  90 -11.333  13.692   6.151
  595   1HB   TYR  90          1HB       TYR  90  -9.762  13.575   3.568
  596   2HB   TYR  90          2HB       TYR  90 -10.167  15.025   4.486
  597    HD1  TYR  90           HD1      TYR  90  -7.938  12.171   4.219
  598    HD2  TYR  90           HD2      TYR  90  -9.125  15.409   6.713
  599    HE1  TYR  90           HE1      TYR  90  -5.918  11.859   5.569
  600    HE2  TYR  90           HE2      TYR  90  -7.098  15.110   8.069
  601    HH   TYR  90           HH       TYR  90  -5.511  12.845   8.497
  602    H    THR  91           H        THR  91 -12.491  15.321   4.861
  603    HA   THR  91           HA       THR  91 -14.977  14.307   4.140
  604    HB   THR  91           HB       THR  91 -14.721  16.862   2.971
  605    HG1  THR  91           HG1      THR  91 -13.665  17.959   4.760
  606   1HG2  THR  91          1HG2      THR  91 -16.679  16.399   4.150
  607   2HG2  THR  91          2HG2      THR  91 -15.830  17.500   5.233
  608   3HG2  THR  91          3HG2      THR  91 -15.806  15.764   5.545
  609    H    SER  92           H        SER  92 -12.247  15.255   2.133
  610    HA   SER  92           HA       SER  92 -13.431  13.822  -0.090
  611   1HB   SER  92          1HB       SER  92 -12.719  16.756  -0.218
  612   2HB   SER  92          2HB       SER  92 -12.886  15.744  -1.654
  613    HG   SER  92           HG       SER  92 -15.011  15.339  -0.107
  614    H    GLY  93           H        GLY  93 -11.599  12.537   0.895
  615   1HA   GLY  93          1HA       GLY  93  -8.912  13.276   0.461
  616   2HA   GLY  93          2HA       GLY  93  -9.512  11.629   0.620
  617    H    LEU  94           H        LEU  94  -7.650  13.242  -1.289
  618    HA   LEU  94           HA       LEU  94  -8.880  12.811  -3.858
  619   1HB   LEU  94          1HB       LEU  94  -6.908  14.473  -2.940
  620   2HB   LEU  94          2HB       LEU  94  -5.974  13.238  -3.765
  621    HG   LEU  94           HG       LEU  94  -7.900  13.784  -5.622
  622   1HD1  LEU  94          1HD1      LEU  94  -8.714  15.646  -4.170
  623   2HD1  LEU  94          2HD1      LEU  94  -7.151  16.430  -4.397
  624   3HD1  LEU  94          3HD1      LEU  94  -8.205  16.146  -5.782
  625   1HD2  LEU  94          1HD2      LEU  94  -5.086  14.508  -5.172
  626   2HD2  LEU  94          2HD2      LEU  94  -5.852  13.730  -6.556
  627   3HD2  LEU  94          3HD2      LEU  94  -5.934  15.482  -6.372
  628    H    SER  95           H        SER  95  -6.092  11.975  -4.876
  629    HA   SER  95           HA       SER  95  -6.528   9.122  -4.609
  630   1HB   SER  95          1HB       SER  95  -4.178   9.835  -6.130
  631   2HB   SER  95          2HB       SER  95  -5.658   9.047  -6.678
  632    HG   SER  95           HG       SER  95  -6.190  10.848  -7.590
  633    H    TRP  96           H        TRP  96  -5.396   7.851  -3.293
  634    HA   TRP  96           HA       TRP  96  -2.831   8.835  -2.237
  635   1HB   TRP  96          1HB       TRP  96  -4.531   6.896  -0.696
  636   2HB   TRP  96          2HB       TRP  96  -3.264   7.960  -0.109
  637    HD1  TRP  96           HD1      TRP  96  -6.955   8.069  -1.219
  638    HE1  TRP  96           HE1      TRP  96  -8.071  10.069  -0.053
  639    HE3  TRP  96           HE3      TRP  96  -2.828  10.128   0.997
  640    HZ2  TRP  96           HZ2      TRP  96  -7.307  12.236   1.585
  641    HZ3  TRP  96           HZ3      TRP  96  -3.108  12.163   2.349
  642    HH2  TRP  96           HH2      TRP  96  -5.304  13.191   2.636
  643    H    ILE  97           H        ILE  97  -1.122   7.483  -2.680
  644    HA   ILE  97           HA       ILE  97  -1.852   4.632  -3.066
  645    HB   ILE  97           HB       ILE  97  -0.451   6.275  -4.826
  646   1HG1  ILE  97          1HG1      ILE  97   0.068   3.928  -5.873
  647   2HG1  ILE  97          2HG1      ILE  97  -0.960   3.346  -4.567
  648   1HG2  ILE  97          1HG2      ILE  97   1.764   5.718  -4.899
  649   2HG2  ILE  97          2HG2      ILE  97   1.496   5.751  -3.155
  650   3HG2  ILE  97          3HG2      ILE  97   1.531   4.210  -4.014
  651   1HD1  ILE  97          1HD1      ILE  97  -1.760   5.406  -6.609
  652   2HD1  ILE  97          2HD1      ILE  97  -2.181   3.694  -6.664
  653   3HD1  ILE  97          3HD1      ILE  97  -2.786   4.709  -5.355
  654    H    TRP  98           H        TRP  98  -0.403   3.025  -2.179
  655    HA   TRP  98           HA       TRP  98   1.060   3.888   0.163
  656   1HB   TRP  98          1HB       TRP  98   0.872   1.151  -1.127
  657   2HB   TRP  98          2HB       TRP  98   1.648   1.492   0.413
  658    HD1  TRP  98           HD1      TRP  98  -1.323  -0.035  -0.734
  659    HE1  TRP  98           HE1      TRP  98  -3.252   0.127   0.963
  660    HE3  TRP  98           HE3      TRP  98   0.504   3.731   2.232
  661    HZ2  TRP  98           HZ2      TRP  98  -3.913   1.640   3.243
  662    HZ3  TRP  98           HZ3      TRP  98  -0.842   4.460   4.143
  663    HH2  TRP  98           HH2      TRP  98  -3.005   3.425   4.634
  664    H    LYS  99           H        LYS  99   3.350   3.704   0.366
  665    HA   LYS  99           HA       LYS  99   4.822   3.273  -2.121
  666   1HB   LYS  99          1HB       LYS  99   4.255   5.780  -1.475
  667   2HB   LYS  99          2HB       LYS  99   5.625   5.570  -0.398
  668   1HG   LYS  99          1HG       LYS  99   6.796   4.707  -2.588
  669   2HG   LYS  99          2HG       LYS  99   5.536   5.668  -3.365
  670   1HD   LYS  99          1HD       LYS  99   6.372   7.407  -1.478
  671   2HD   LYS  99          2HD       LYS  99   7.870   6.528  -1.779
  672   1HE   LYS  99          1HE       LYS  99   7.668   7.006  -4.171
  673   2HE   LYS  99          2HE       LYS  99   6.171   7.885  -3.867
  674   1HZ   LYS  99          1HZ       LYS  99   8.932   8.691  -3.394
  675   2HZ   LYS  99          2HZ       LYS  99   7.817   9.145  -2.202
  676   3HZ   LYS  99          3HZ       LYS  99   7.579   9.632  -3.803
  677    H    ILE 100           H        ILE 100   6.521   2.001  -1.801
  678    HA   ILE 100           HA       ILE 100   7.394   1.530   0.929
  679    HB   ILE 100           HB       ILE 100   7.924  -0.011  -1.596
  680   1HG1  ILE 100          1HG1      ILE 100   6.396  -0.766   0.902
  681   2HG1  ILE 100          2HG1      ILE 100   5.643  -0.147  -0.565
  682   1HG2  ILE 100          1HG2      ILE 100   9.381  -1.378  -0.513
  683   2HG2  ILE 100          2HG2      ILE 100   9.705   0.105   0.383
  684   3HG2  ILE 100          3HG2      ILE 100   8.629  -1.116   1.060
  685   1HD1  ILE 100          1HD1      ILE 100   5.592  -2.174  -1.427
  686   2HD1  ILE 100          2HD1      ILE 100   7.338  -2.343  -1.222
  687   3HD1  ILE 100          3HD1      ILE 100   6.248  -2.801   0.087
  688    H    LYS 101           H        LYS 101   8.932   2.819   1.631
  689    HA   LYS 101           HA       LYS 101  10.957   3.839  -0.212
  690   1HB   LYS 101          1HB       LYS 101   9.651   4.861   2.076
  691   2HB   LYS 101          2HB       LYS 101  11.337   4.650   2.525
  692   1HG   LYS 101          1HG       LYS 101  11.893   5.913   0.384
  693   2HG   LYS 101          2HG       LYS 101  10.185   6.356   0.350
  694   1HD   LYS 101          1HD       LYS 101  11.020   6.861   2.967
  695   2HD   LYS 101          2HD       LYS 101  12.334   7.441   1.940
  696   1HE   LYS 101          1HE       LYS 101   9.615   8.144   1.053
  697   2HE   LYS 101          2HE       LYS 101  10.141   8.892   2.560
  698   1HZ   LYS 101          1HZ       LYS 101  12.117   9.708   1.404
  699   2HZ   LYS 101          2HZ       LYS 101  10.693  10.277   0.685
  700   3HZ   LYS 101          3HZ       LYS 101  11.563   9.021  -0.051
  701    H    ASN 102           H        ASN 102  12.616   2.489  -0.548
  702    HA   ASN 102           HA       ASN 102  13.474   0.716   1.623
  703   1HB   ASN 102          1HB       ASN 102  12.933  -0.246  -0.610
  704   2HB   ASN 102          2HB       ASN 102  14.272   0.671  -1.294
  705   1HD2  ASN 102          1HD2      ASN 102  14.949  -1.481  -1.956
  706   2HD2  ASN 102          2HD2      ASN 102  15.869  -2.450  -0.855
  707    H    ASN 103           H        ASN 103  15.190   1.165   2.788
  708    HA   ASN 103           HA       ASN 103  16.972   3.328   2.154
  709   1HB   ASN 103          1HB       ASN 103  17.080   1.223   4.336
  710   2HB   ASN 103          2HB       ASN 103  18.196   2.581   4.209
  711   1HD2  ASN 103          1HD2      ASN 103  15.949   1.678   6.113
  712   2HD2  ASN 103          2HD2      ASN 103  15.039   3.131   6.371
  713    H    SER 104           H        SER 104  16.948  -0.090   1.677
  714    HA   SER 104           HA       SER 104  19.805  -0.316   1.363
  715   1HB   SER 104          1HB       SER 104  17.569  -2.287   0.832
  716   2HB   SER 104          2HB       SER 104  19.290  -2.668   0.759
  717    HG   SER 104           HG       SER 104  17.855  -2.911   2.845
  718    H    SER 105           H        SER 105  20.924  -0.676  -0.537
  719    HA   SER 105           HA       SER 105  19.673   0.336  -2.964
  720   1HB   SER 105          1HB       SER 105  22.248  -0.289  -3.639
  721   2HB   SER 105          2HB       SER 105  21.748   1.262  -2.962
  722    HG   SER 105           HG       SER 105  22.753  -0.995  -1.543
  723    H    GLU 106           H        GLU 106  19.646  -2.508  -1.541
  724    HA   GLU 106           HA       GLU 106  20.305  -4.136  -3.884
  725   1HB   GLU 106          1HB       GLU 106  19.887  -4.919  -0.989
  726   2HB   GLU 106          2HB       GLU 106  20.286  -6.036  -2.287
  727   1HG   GLU 106          1HG       GLU 106  22.295  -5.613  -1.135
  728   2HG   GLU 106          2HG       GLU 106  22.396  -4.701  -2.638
  729    H    THR 107           H        THR 107  18.807  -5.707  -4.631
  730    HA   THR 107           HA       THR 107  16.116  -4.884  -4.650
  731    HB   THR 107           HB       THR 107  16.536  -7.703  -5.304
  732    HG1  THR 107           HG1      THR 107  17.815  -6.249  -7.215
  733   1HG2  THR 107          1HG2      THR 107  15.808  -5.398  -7.105
  734   2HG2  THR 107          2HG2      THR 107  14.650  -6.171  -6.021
  735   3HG2  THR 107          3HG2      THR 107  15.414  -7.104  -7.309
  736    H    SER 108           H        SER 108  14.868  -4.927  -2.910
  737    HA   SER 108           HA       SER 108  15.057  -7.244  -1.096
  738   1HB   SER 108          1HB       SER 108  13.696  -4.707  -0.287
  739   2HB   SER 108          2HB       SER 108  14.601  -5.858   0.698
  740    HG   SER 108           HG       SER 108  16.214  -4.757  -1.161
  741    H    ASN 109           H        ASN 109  13.272  -8.479  -0.730
  742    HA   ASN 109           HA       ASN 109  10.882  -7.794  -2.265
  743   1HB   ASN 109          1HB       ASN 109  10.177 -10.170  -1.651
  744   2HB   ASN 109          2HB       ASN 109  11.543 -10.008  -2.745
  745   1HD2  ASN 109          1HD2      ASN 109  10.482 -11.877  -0.437
  746   2HD2  ASN 109          2HD2      ASN 109  11.952 -12.291   0.378
  747    H    TYR 110           H        TYR 110   9.052  -7.186  -1.401
  748    HA   TYR 110           HA       TYR 110   8.921  -6.941   1.534
  749   1HB   TYR 110          1HB       TYR 110   7.084  -5.239   0.932
  750   2HB   TYR 110          2HB       TYR 110   8.747  -4.788   0.594
  751    HD1  TYR 110           HD1      TYR 110   9.445  -4.270  -1.626
  752    HD2  TYR 110           HD2      TYR 110   5.615  -6.004  -0.965
  753    HE1  TYR 110           HE1      TYR 110   8.835  -3.812  -3.956
  754    HE2  TYR 110           HE2      TYR 110   4.997  -5.542  -3.299
  755    HH   TYR 110           HH       TYR 110   7.326  -4.057  -5.536
  756    H    SER 111           H        SER 111   6.882  -7.283   2.574
  757    HA   SER 111           HA       SER 111   4.947  -8.844   0.998
  758   1HB   SER 111          1HB       SER 111   4.773  -9.362   3.840
  759   2HB   SER 111          2HB       SER 111   4.996 -10.503   2.513
  760    HG   SER 111           HG       SER 111   7.271  -9.835   2.576
  761    H    LEU 112           H        LEU 112   3.849  -6.844   0.539
  762    HA   LEU 112           HA       LEU 112   2.965  -5.214   2.759
  763   1HB   LEU 112          1HB       LEU 112   3.563  -4.205   0.578
  764   2HB   LEU 112          2HB       LEU 112   2.202  -5.030  -0.157
  765    HG   LEU 112           HG       LEU 112   0.739  -3.777   1.531
  766   1HD1  LEU 112          1HD1      LEU 112   1.994  -1.482   1.978
  767   2HD1  LEU 112          2HD1      LEU 112   2.034  -2.821   3.125
  768   3HD1  LEU 112          3HD1      LEU 112   3.390  -2.561   2.028
  769   1HD2  LEU 112          1HD2      LEU 112   0.259  -2.741  -0.370
  770   2HD2  LEU 112          2HD2      LEU 112   1.501  -1.556   0.039
  771   3HD2  LEU 112          3HD2      LEU 112   1.907  -2.947  -0.966
  772    H    ASP 113           H        ASP 113   1.520  -6.215   4.027
  773    HA   ASP 113           HA       ASP 113  -0.654  -7.755   2.894
  774   1HB   ASP 113          1HB       ASP 113   0.632  -7.560   5.453
  775   2HB   ASP 113          2HB       ASP 113  -1.090  -7.260   5.662
  776    H    ALA 114           H        ALA 114  -1.804  -6.251   1.714
  777    HA   ALA 114           HA       ALA 114  -3.217  -4.209   3.302
  778   1HB   ALA 114          1HB       ALA 114  -2.743  -2.563   1.836
  779   2HB   ALA 114          2HB       ALA 114  -1.435  -3.620   1.303
  780   3HB   ALA 114          3HB       ALA 114  -2.974  -3.617   0.440
  781    H    THR 115           H        THR 115  -5.239  -3.466   1.915
  782    HA   THR 115           HA       THR 115  -6.737  -5.885   1.364
  783    HB   THR 115           HB       THR 115  -8.215  -3.499   0.752
  784    HG1  THR 115           HG1      THR 115  -7.073  -2.211   2.051
  785   1HG2  THR 115          1HG2      THR 115  -8.502  -5.913   2.215
  786   2HG2  THR 115          2HG2      THR 115  -9.755  -4.763   1.751
  787   3HG2  THR 115          3HG2      THR 115  -8.919  -4.581   3.293
  788    H    VAL 116           H        VAL 116  -7.636  -6.410  -0.635
  789    HA   VAL 116           HA       VAL 116  -6.129  -5.523  -2.906
  790    HB   VAL 116           HB       VAL 116  -8.584  -6.992  -3.531
  791   1HG1  VAL 116          1HG1      VAL 116  -7.223  -7.389  -5.242
  792   2HG1  VAL 116          2HG1      VAL 116  -5.809  -6.852  -4.335
  793   3HG1  VAL 116          3HG1      VAL 116  -6.368  -8.518  -4.191
  794   1HG2  VAL 116          1HG2      VAL 116  -8.358  -7.965  -1.364
  795   2HG2  VAL 116          2HG2      VAL 116  -7.747  -9.133  -2.537
  796   3HG2  VAL 116          3HG2      VAL 116  -6.620  -8.176  -1.577
  797    H    HIS 117           H        HIS 117  -7.265  -4.805  -4.947
  798    HA   HIS 117           HA       HIS 117  -8.897  -2.528  -4.389
  799   1HB   HIS 117          1HB       HIS 117  -7.301  -3.363  -6.534
  800   2HB   HIS 117          2HB       HIS 117  -8.939  -3.296  -7.182
  801    HD1  HIS 117           HD1      HIS 117  -6.767  -1.286  -8.110
  802    HD2  HIS 117           HD2      HIS 117  -9.486  -0.572  -5.030
  803    HE1  HIS 117           HE1      HIS 117  -6.940   1.217  -7.907
  804    HE2  HIS 117           HE2      HIS 117  -8.684   1.627  -6.129
  805    H    ASP 118           H        ASP 118  -9.557  -5.754  -4.604
  806    HA   ASP 118           HA       ASP 118 -11.471  -6.884  -4.222
  807   1HB   ASP 118          1HB       ASP 118 -11.935  -4.628  -2.968
  808   2HB   ASP 118          2HB       ASP 118 -13.095  -4.373  -4.264
  809    H    ASP 119           H        ASP 119 -13.676  -4.700  -5.567
  810    HA   ASP 119           HA       ASP 119 -14.259  -6.539  -7.705
  811   1HB   ASP 119          1HB       ASP 119 -15.629  -4.366  -6.324
  812   2HB   ASP 119          2HB       ASP 119 -15.864  -4.294  -8.067
  813    H    LYS 120           H        LYS 120 -12.318  -6.306  -8.935
  814    HA   LYS 120           HA       LYS 120 -12.388  -3.961 -10.697
  815   1HB   LYS 120          1HB       LYS 120 -10.142  -4.842  -8.963
  816   2HB   LYS 120          2HB       LYS 120  -9.731  -4.323 -10.590
  817   1HG   LYS 120          1HG       LYS 120 -11.539  -2.443  -9.430
  818   2HG   LYS 120          2HG       LYS 120 -10.191  -2.727  -8.329
  819   1HD   LYS 120          1HD       LYS 120  -8.667  -1.815  -9.743
  820   2HD   LYS 120          2HD       LYS 120  -9.522  -2.362 -11.187
  821   1HE   LYS 120          1HE       LYS 120 -10.778  -0.264  -9.489
  822   2HE   LYS 120          2HE       LYS 120  -9.431   0.189 -10.532
  823   1HZ   LYS 120          1HZ       LYS 120 -12.034  -0.977 -11.339
  824   2HZ   LYS 120          2HZ       LYS 120 -10.705  -0.880 -12.390
  825   3HZ   LYS 120          3HZ       LYS 120 -11.397   0.540 -11.757
  826    H    GLU 121           H        GLU 121 -12.571  -4.663 -12.733
  827    HA   GLU 121           HA       GLU 121 -11.649  -7.276 -13.537
  828   1HB   GLU 121          1HB       GLU 121 -12.436  -5.000 -15.362
  829   2HB   GLU 121          2HB       GLU 121 -12.462  -6.722 -15.715
  830   1HG   GLU 121          1HG       GLU 121 -14.637  -6.582 -15.272
  831   2HG   GLU 121          2HG       GLU 121 -14.141  -6.573 -13.579
  832    H    ASP 122           H        ASP 122 -10.626  -3.934 -13.879
  833    HA   ASP 122           HA       ASP 122  -8.203  -4.724 -15.297
  834   1HB   ASP 122          1HB       ASP 122  -7.842  -2.131 -15.184
  835   2HB   ASP 122          2HB       ASP 122  -9.023  -2.796 -16.303
  836    H    SER 123           H        SER 123  -7.881  -5.909 -13.085
  837    HA   SER 123           HA       SER 123  -7.107  -4.601 -10.769
  838   1HB   SER 123          1HB       SER 123  -5.495  -6.963 -11.323
  839   2HB   SER 123          2HB       SER 123  -6.722  -6.704 -10.082
  840    HG   SER 123           HG       SER 123  -7.510  -8.279 -11.406
  841    H    ASP 124           H        ASP 124  -5.561  -3.196 -10.394
  842    HA   ASP 124           HA       ASP 124  -3.575  -2.536 -12.315
  843   1HB   ASP 124          1HB       ASP 124  -3.031  -1.526  -9.638
  844   2HB   ASP 124          2HB       ASP 124  -3.399  -0.639 -11.113
  845    H    VAL 125           H        VAL 125  -3.605  -4.450  -9.393
  846    HA   VAL 125           HA       VAL 125  -0.750  -4.723  -9.303
  847    HB   VAL 125           HB       VAL 125  -1.855  -4.852  -7.204
  848   1HG1  VAL 125          1HG1      VAL 125  -4.043  -5.437  -7.441
  849   2HG1  VAL 125          2HG1      VAL 125  -3.690  -6.722  -8.596
  850   3HG1  VAL 125          3HG1      VAL 125  -3.405  -6.980  -6.874
  851   1HG2  VAL 125          1HG2      VAL 125  -0.924  -7.596  -8.038
  852   2HG2  VAL 125          2HG2      VAL 125   0.052  -6.307  -7.334
  853   3HG2  VAL 125          3HG2      VAL 125  -1.192  -7.100  -6.367
  854    H    LEU 126           H        LEU 126  -0.224  -5.476 -11.354
  855    HA   LEU 126           HA       LEU 126  -1.136  -8.151 -12.091
  856   1HB   LEU 126          1HB       LEU 126   0.936  -6.808 -13.718
  857   2HB   LEU 126          2HB       LEU 126  -0.482  -7.702 -14.224
  858    HG   LEU 126           HG       LEU 126  -1.334  -5.261 -13.001
  859   1HD1  LEU 126          1HD1      LEU 126   1.172  -4.986 -14.263
  860   2HD1  LEU 126          2HD1      LEU 126  -0.029  -4.297 -15.354
  861   3HD1  LEU 126          3HD1      LEU 126   0.095  -3.709 -13.697
  862   1HD2  LEU 126          1HD2      LEU 126  -2.846  -5.542 -14.600
  863   2HD2  LEU 126          2HD2      LEU 126  -1.620  -5.288 -15.842
  864   3HD2  LEU 126          3HD2      LEU 126  -1.915  -6.908 -15.212
  865    H    THR 127           H        THR 127   1.950  -6.438 -11.680
  866    HA   THR 127           HA       THR 127   3.316  -8.987 -11.298
  867    HB   THR 127           HB       THR 127   5.317  -7.254 -11.134
  868    HG1  THR 127           HG1      THR 127   4.223  -5.650 -12.955
  869   1HG2  THR 127          1HG2      THR 127   4.464  -7.291 -13.903
  870   2HG2  THR 127          2HG2      THR 127   4.232  -8.859 -13.129
  871   3HG2  THR 127          3HG2      THR 127   5.826  -8.105 -13.135
  872    H    LYS 128           H        LYS 128   3.837  -5.839  -9.797
  873    HA   LYS 128           HA       LYS 128   3.363  -6.892  -7.132
  874   1HB   LYS 128          1HB       LYS 128   5.662  -5.713  -6.522
  875   2HB   LYS 128          2HB       LYS 128   5.613  -7.394  -7.032
  876   1HG   LYS 128          1HG       LYS 128   6.985  -6.946  -8.708
  877   2HG   LYS 128          2HG       LYS 128   5.846  -5.764  -9.352
  878   1HD   LYS 128          1HD       LYS 128   6.823  -4.183  -7.558
  879   2HD   LYS 128          2HD       LYS 128   8.153  -5.338  -7.486
  880   1HE   LYS 128          1HE       LYS 128   9.037  -4.119  -9.141
  881   2HE   LYS 128          2HE       LYS 128   7.886  -4.967 -10.172
  882   1HZ   LYS 128          1HZ       LYS 128   8.001  -2.393 -10.206
  883   2HZ   LYS 128          2HZ       LYS 128   7.055  -2.499  -8.805
  884   3HZ   LYS 128          3HZ       LYS 128   6.491  -3.163 -10.258
  885    H    CYS 129           H        CYS 129   4.952  -4.451  -6.156
  886    HA   CYS 129           HA       CYS 129   2.803  -2.530  -6.480
  887   1HB   CYS 129          1HB       CYS 129   5.107  -2.890  -4.659
  888   2HB   CYS 129          2HB       CYS 129   4.697  -1.217  -5.022
  889    HA   PRO 130           HA       PRO 130   5.312  -0.144  -9.396
  890   1HB   PRO 130          1HB       PRO 130   3.371   0.335 -11.161
  891   2HB   PRO 130          2HB       PRO 130   4.130  -1.256 -11.052
  892   1HG   PRO 130          1HG       PRO 130   1.418  -0.430 -10.256
  893   2HG   PRO 130          2HG       PRO 130   2.046  -2.052 -10.591
  894   1HD   PRO 130          1HD       PRO 130   1.719  -0.705  -8.021
  895   2HD   PRO 130          2HD       PRO 130   2.102  -2.408  -8.350
  896    H    VAL 131           H        VAL 131   5.291   2.119  -9.951
  897    HA   VAL 131           HA       VAL 131   3.015   3.716  -9.031
  898    HB   VAL 131           HB       VAL 131   4.735   5.571  -8.492
  899   1HG1  VAL 131          1HG1      VAL 131   3.227   4.556  -6.857
  900   2HG1  VAL 131          2HG1      VAL 131   4.414   3.284  -6.562
  901   3HG1  VAL 131          3HG1      VAL 131   4.796   4.959  -6.158
  902   1HG2  VAL 131          1HG2      VAL 131   6.580   3.595  -7.418
  903   2HG2  VAL 131          2HG2      VAL 131   6.566   3.661  -9.182
  904   3HG2  VAL 131          3HG2      VAL 131   6.895   5.120  -8.245
  Start of MODEL    7
    1   1H    ARG  14          1H        ARG  14 -13.419  -2.172   9.421
    2    HA   ARG  14           HA       ARG  14 -14.239  -5.005   9.602
    3   1HB   ARG  14          1HB       ARG  14 -14.534  -3.099   7.264
    4   2HB   ARG  14          2HB       ARG  14 -14.932  -4.811   7.223
    5   1HG   ARG  14          1HG       ARG  14 -16.231  -2.837   9.084
    6   2HG   ARG  14          2HG       ARG  14 -16.878  -3.273   7.503
    7   1HD   ARG  14          1HD       ARG  14 -17.329  -5.462   8.153
    8   2HD   ARG  14          2HD       ARG  14 -16.222  -5.382   9.523
    9    HE   ARG  14           HE       ARG  14 -18.795  -3.948   9.425
   10   1HH1  ARG  14          1HH1      ARG  14 -16.358  -5.778  11.142
   11   2HH1  ARG  14          2HH1      ARG  14 -17.213  -5.742  12.657
   12   1HH2  ARG  14          1HH2      ARG  14 -19.925  -3.894  11.416
   13   2HH2  ARG  14          2HH2      ARG  14 -19.238  -4.656  12.816
   14    H    ILE  15           H        ILE  15 -13.289  -4.736   6.585
   15    HA   ILE  15           HA       ILE  15 -10.446  -5.116   7.191
   16    HB   ILE  15           HB       ILE  15 -11.730  -7.038   6.119
   17   1HG1  ILE  15          1HG1      ILE  15  -9.876  -7.399   4.359
   18   2HG1  ILE  15          2HG1      ILE  15  -9.234  -5.863   4.927
   19   1HG2  ILE  15          1HG2      ILE  15 -13.083  -6.327   4.458
   20   2HG2  ILE  15          2HG2      ILE  15 -12.016  -4.999   4.001
   21   3HG2  ILE  15          3HG2      ILE  15 -11.649  -6.647   3.483
   22   1HD1  ILE  15          1HD1      ILE  15  -9.296  -6.935   7.256
   23   2HD1  ILE  15          2HD1      ILE  15  -9.474  -8.460   6.390
   24   3HD1  ILE  15          3HD1      ILE  15  -8.044  -7.458   6.126
   25    HA   PRO  16           HA       PRO  16  -9.814  -1.216   5.336
   26   1HB   PRO  16          1HB       PRO  16  -7.149  -1.298   4.989
   27   2HB   PRO  16          2HB       PRO  16  -7.892  -1.233   6.593
   28   1HG   PRO  16          1HG       PRO  16  -6.866  -3.617   5.086
   29   2HG   PRO  16          2HG       PRO  16  -6.564  -3.152   6.772
   30   1HD   PRO  16          1HD       PRO  16  -8.416  -4.991   6.110
   31   2HD   PRO  16          2HD       PRO  16  -8.641  -3.878   7.477
   32    H    ASN  17           H        ASN  17  -7.360  -1.045   3.634
   33    HA   ASN  17           HA       ASN  17  -8.656  -1.266   1.077
   34   1HB   ASN  17          1HB       ASN  17  -6.959   0.528   1.987
   35   2HB   ASN  17          2HB       ASN  17  -5.754  -0.646   1.456
   36   1HD2  ASN  17          1HD2      ASN  17  -8.755  -0.373  -0.282
   37   2HD2  ASN  17          2HD2      ASN  17  -8.102   0.415  -1.671
   38    H    ILE  18           H        ILE  18  -6.739  -1.996  -0.700
   39    HA   ILE  18           HA       ILE  18  -5.805  -4.610   0.216
   40    HB   ILE  18           HB       ILE  18  -7.899  -5.008  -0.954
   41   1HG1  ILE  18          1HG1      ILE  18  -5.280  -6.041  -1.802
   42   2HG1  ILE  18          2HG1      ILE  18  -6.713  -6.910  -1.269
   43   1HG2  ILE  18          1HG2      ILE  18  -8.213  -3.311  -2.463
   44   2HG2  ILE  18          2HG2      ILE  18  -6.567  -3.423  -3.090
   45   3HG2  ILE  18          3HG2      ILE  18  -7.757  -4.654  -3.514
   46   1HD1  ILE  18          1HD1      ILE  18  -6.255  -7.572  -3.487
   47   2HD1  ILE  18          2HD1      ILE  18  -7.671  -6.521  -3.548
   48   3HD1  ILE  18          3HD1      ILE  18  -6.092  -5.901  -4.024
   49    H    ALA  19           H        ALA  19  -3.900  -5.126  -0.319
   50    HA   ALA  19           HA       ALA  19  -2.688  -4.536  -2.821
   51   1HB   ALA  19          1HB       ALA  19  -0.994  -3.097  -2.221
   52   2HB   ALA  19          2HB       ALA  19  -2.289  -2.486  -1.191
   53   3HB   ALA  19          3HB       ALA  19  -1.058  -3.557  -0.520
   54    H    THR  20           H        THR  20  -2.853  -6.846  -2.747
   55    HA   THR  20           HA       THR  20  -1.338  -8.204  -0.661
   56    HB   THR  20           HB       THR  20  -2.267 -10.145  -2.418
   57    HG1  THR  20           HG1      THR  20  -4.494  -9.515  -2.721
   58   1HG2  THR  20          1HG2      THR  20  -2.582  -9.399   0.258
   59   2HG2  THR  20          2HG2      THR  20  -3.096 -10.908  -0.496
   60   3HG2  THR  20          3HG2      THR  20  -4.220  -9.555  -0.381
   61    H    TYR  21           H        TYR  21   0.824  -8.025  -1.104
   62    HA   TYR  21           HA       TYR  21   1.772  -9.165  -3.626
   63   1HB   TYR  21          1HB       TYR  21   2.512  -6.401  -2.644
   64   2HB   TYR  21          2HB       TYR  21   3.352  -7.252  -3.935
   65    HD1  TYR  21           HD1      TYR  21   1.960  -7.940  -5.983
   66    HD2  TYR  21           HD2      TYR  21   0.656  -5.075  -3.121
   67    HE1  TYR  21           HE1      TYR  21   0.351  -7.051  -7.614
   68    HE2  TYR  21           HE2      TYR  21  -0.957  -4.177  -4.740
   69    HH   TYR  21           HH       TYR  21  -2.099  -4.780  -6.724
   70    H    THR  22           H        THR  22   3.833 -10.008  -3.539
   71    HA   THR  22           HA       THR  22   5.388  -9.629  -1.103
   72    HB   THR  22           HB       THR  22   4.014 -11.645  -0.693
   73    HG1  THR  22           HG1      THR  22   6.211 -13.045  -0.684
   74   1HG2  THR  22          1HG2      THR  22   3.629 -12.627  -2.784
   75   2HG2  THR  22          2HG2      THR  22   4.744 -13.738  -1.990
   76   3HG2  THR  22          3HG2      THR  22   5.340 -12.611  -3.210
   77    H    GLY  23           H        GLY  23   5.811  -8.509  -3.546
   78   1HA   GLY  23          1HA       GLY  23   7.723 -10.113  -5.040
   79   2HA   GLY  23          2HA       GLY  23   7.133  -8.514  -5.465
   80    H    THR  24           H        THR  24   9.612  -8.582  -5.913
   81    HA   THR  24           HA       THR  24  11.067  -7.768  -3.498
   82    HB   THR  24           HB       THR  24  12.727  -7.921  -5.845
   83    HG1  THR  24           HG1      THR  24  11.110 -10.204  -5.245
   84   1HG2  THR  24          1HG2      THR  24  13.975  -9.501  -4.468
   85   2HG2  THR  24          2HG2      THR  24  12.616  -9.618  -3.349
   86   3HG2  THR  24          3HG2      THR  24  13.495  -8.098  -3.514
   87    H    ILE  25           H        ILE  25  11.995  -5.765  -3.315
   88    HA   ILE  25           HA       ILE  25  11.496  -3.883  -5.525
   89    HB   ILE  25           HB       ILE  25  10.054  -3.486  -3.517
   90   1HG1  ILE  25          1HG1      ILE  25  12.038  -1.398  -4.401
   91   2HG1  ILE  25          2HG1      ILE  25  10.387  -1.641  -4.963
   92   1HG2  ILE  25          1HG2      ILE  25  11.117  -2.456  -1.529
   93   2HG2  ILE  25          2HG2      ILE  25  11.536  -4.155  -1.754
   94   3HG2  ILE  25          3HG2      ILE  25  12.691  -2.896  -2.191
   95   1HD1  ILE  25          1HD1      ILE  25  11.390  -0.079  -2.738
   96   2HD1  ILE  25          2HD1      ILE  25   9.841   0.000  -3.579
   97   3HD1  ILE  25          3HD1      ILE  25  10.075  -1.163  -2.275
   98    H    GLN  26           H        GLN  26  13.060  -2.241  -5.854
   99    HA   GLN  26           HA       GLN  26  15.742  -3.081  -5.492
  100   1HB   GLN  26          1HB       GLN  26  14.893  -0.278  -6.202
  101   2HB   GLN  26          2HB       GLN  26  16.357  -1.126  -6.678
  102   1HG   GLN  26          1HG       GLN  26  14.304  -2.694  -7.684
  103   2HG   GLN  26          2HG       GLN  26  13.767  -1.036  -7.960
  104   1HE2  GLN  26          1HE2      GLN  26  16.485  -3.241  -8.439
  105   2HE2  GLN  26          2HE2      GLN  26  17.072  -2.484  -9.883
  106    H    GLY  27           H        GLY  27  17.409  -1.981  -4.326
  107   1HA   GLY  27          1HA       GLY  27  16.651  -1.506  -1.630
  108   2HA   GLY  27          2HA       GLY  27  18.262  -1.303  -2.305
  109    H    LYS  28           H        LYS  28  17.458   0.616  -4.304
  110    HA   LYS  28           HA       LYS  28  16.924   2.916  -2.547
  111   1HB   LYS  28          1HB       LYS  28  19.209   2.400  -4.075
  112   2HB   LYS  28          2HB       LYS  28  18.316   3.602  -4.997
  113   1HG   LYS  28          1HG       LYS  28  19.830   4.750  -3.570
  114   2HG   LYS  28          2HG       LYS  28  18.203   4.998  -2.932
  115   1HD   LYS  28          1HD       LYS  28  18.624   3.819  -1.045
  116   2HD   LYS  28          2HD       LYS  28  19.672   2.666  -1.875
  117   1HE   LYS  28          1HE       LYS  28  21.305   3.733  -0.745
  118   2HE   LYS  28          2HE       LYS  28  21.171   4.901  -2.057
  119   1HZ   LYS  28          1HZ       LYS  28  19.257   5.508  -0.085
  120   2HZ   LYS  28          2HZ       LYS  28  20.571   6.443  -0.607
  121   3HZ   LYS  28          3HZ       LYS  28  20.772   5.336   0.663
  122    H    GLY  29           H        GLY  29  14.847   1.542  -3.665
  123   1HA   GLY  29          1HA       GLY  29  13.976   3.359  -5.822
  124   2HA   GLY  29          2HA       GLY  29  13.575   1.648  -5.813
  125    H    GLU  30           H        GLU  30  11.686   3.674  -5.983
  126    HA   GLU  30           HA       GLU  30  10.082   3.025  -3.645
  127   1HB   GLU  30          1HB       GLU  30   9.233   5.533  -3.863
  128   2HB   GLU  30          2HB       GLU  30  10.576   5.106  -2.814
  129   1HG   GLU  30          1HG       GLU  30  12.081   5.683  -4.787
  130   2HG   GLU  30          2HG       GLU  30  10.653   6.425  -5.506
  131    H    VAL  31           H        VAL  31   8.061   2.502  -4.230
  132    HA   VAL  31           HA       VAL  31   7.134   3.286  -6.905
  133    HB   VAL  31           HB       VAL  31   7.773   1.204  -7.582
  134   1HG1  VAL  31          1HG1      VAL  31   7.635  -0.783  -5.829
  135   2HG1  VAL  31          2HG1      VAL  31   9.020   0.305  -5.912
  136   3HG1  VAL  31          3HG1      VAL  31   7.773   0.557  -4.690
  137   1HG2  VAL  31          1HG2      VAL  31   5.868   0.137  -8.018
  138   2HG2  VAL  31          2HG2      VAL  31   5.654  -0.310  -6.324
  139   3HG2  VAL  31          3HG2      VAL  31   5.071   1.252  -6.907
  140    H    CYS  32           H        CYS  32   5.108   3.843  -7.008
  141    HA   CYS  32           HA       CYS  32   3.492   3.824  -4.622
  142   1HB   CYS  32          1HB       CYS  32   2.325   5.527  -5.588
  143   2HB   CYS  32          2HB       CYS  32   3.785   5.655  -6.556
  144    H    ILE  33           H        ILE  33   1.921   2.416  -4.156
  145    HA   ILE  33           HA       ILE  33   0.806   0.783  -6.341
  146    HB   ILE  33           HB       ILE  33   1.703  -0.112  -3.605
  147   1HG1  ILE  33          1HG1      ILE  33   2.144  -1.637  -6.131
  148   2HG1  ILE  33          2HG1      ILE  33   3.072  -0.161  -5.886
  149   1HG2  ILE  33          1HG2      ILE  33   0.620  -2.305  -4.125
  150   2HG2  ILE  33          2HG2      ILE  33  -0.509  -0.993  -3.783
  151   3HG2  ILE  33          3HG2      ILE  33  -0.231  -1.506  -5.446
  152   1HD1  ILE  33          1HD1      ILE  33   3.176  -1.709  -3.506
  153   2HD1  ILE  33          2HD1      ILE  33   3.581  -2.737  -4.880
  154   3HD1  ILE  33          3HD1      ILE  33   4.487  -1.251  -4.592
  155    H    ILE  34           H        ILE  34  -1.292   1.250  -6.564
  156    HA   ILE  34           HA       ILE  34  -2.789   2.339  -4.331
  157    HB   ILE  34           HB       ILE  34  -3.067   3.225  -6.663
  158   1HG1  ILE  34          1HG1      ILE  34  -5.797   2.599  -6.274
  159   2HG1  ILE  34          2HG1      ILE  34  -5.053   2.644  -4.679
  160   1HG2  ILE  34          1HG2      ILE  34  -3.047   1.231  -7.971
  161   2HG2  ILE  34          2HG2      ILE  34  -4.432   0.578  -7.096
  162   3HG2  ILE  34          3HG2      ILE  34  -4.635   1.976  -8.151
  163   1HD1  ILE  34          1HD1      ILE  34  -5.886   4.803  -6.286
  164   2HD1  ILE  34          2HD1      ILE  34  -5.107   4.851  -4.705
  165   3HD1  ILE  34          3HD1      ILE  34  -4.127   4.879  -6.172
  166    H    GLY  35           H        GLY  35  -2.529  -0.647  -6.127
  167   1HA   GLY  35          1HA       GLY  35  -2.949  -2.529  -4.458
  168   2HA   GLY  35          2HA       GLY  35  -4.555  -1.826  -4.358
  169    H    ASN  36           H        ASN  36  -4.827  -4.193  -4.919
  170    HA   ASN  36           HA       ASN  36  -5.224  -4.427  -7.817
  171   1HB   ASN  36          1HB       ASN  36  -4.876  -6.934  -7.489
  172   2HB   ASN  36          2HB       ASN  36  -3.432  -5.936  -7.415
  173   1HD2  ASN  36          1HD2      ASN  36  -4.729  -8.539  -6.119
  174   2HD2  ASN  36          2HD2      ASN  36  -4.120  -8.447  -4.496
  175    H    LYS  37           H        LYS  37  -6.807  -6.656  -7.935
  176    HA   LYS  37           HA       LYS  37  -8.969  -5.999  -6.034
  177   1HB   LYS  37          1HB       LYS  37  -9.819  -7.402  -8.452
  178   2HB   LYS  37          2HB       LYS  37 -10.498  -5.979  -7.679
  179   1HG   LYS  37          1HG       LYS  37  -8.296  -4.885  -8.732
  180   2HG   LYS  37          2HG       LYS  37  -8.551  -6.197  -9.885
  181   1HD   LYS  37          1HD       LYS  37 -10.401  -3.933  -9.183
  182   2HD   LYS  37          2HD       LYS  37  -9.727  -4.350 -10.759
  183   1HE   LYS  37          1HE       LYS  37 -11.410  -6.389  -9.413
  184   2HE   LYS  37          2HE       LYS  37 -12.224  -4.961 -10.047
  185   1HZ   LYS  37          1HZ       LYS  37 -11.057  -7.186 -11.448
  186   2HZ   LYS  37          2HZ       LYS  37 -10.598  -5.684 -12.085
  187   3HZ   LYS  37          3HZ       LYS  37 -12.243  -6.086 -11.956
  188    H    GLU  38           H        GLU  38  -9.199  -7.539  -4.529
  189    HA   GLU  38           HA       GLU  38  -8.541 -10.305  -5.100
  190   1HB   GLU  38          1HB       GLU  38  -9.620  -8.922  -2.640
  191   2HB   GLU  38          2HB       GLU  38  -9.431 -10.666  -2.734
  192   1HG   GLU  38          1HG       GLU  38  -7.148  -8.784  -3.214
  193   2HG   GLU  38          2HG       GLU  38  -7.586  -9.339  -1.601
  194    H    GLY  39           H        GLY  39 -11.095 -10.526  -3.055
  195   1HA   GLY  39          1HA       GLY  39 -13.265 -10.315  -4.923
  196   2HA   GLY  39          2HA       GLY  39 -12.757 -11.976  -4.661
  197    H    LYS  40           H        LYS  40 -15.147 -10.175  -3.938
  198    HA   LYS  40           HA       LYS  40 -16.840 -10.388  -2.474
  199   1HB   LYS  40          1HB       LYS  40 -17.092 -12.379  -1.517
  200   2HB   LYS  40          2HB       LYS  40 -15.521 -12.769  -2.193
  201   1HG   LYS  40          1HG       LYS  40 -14.599 -11.797   0.029
  202   2HG   LYS  40          2HG       LYS  40 -16.247 -12.046   0.615
  203   1HD   LYS  40          1HD       LYS  40 -14.685 -13.952   1.058
  204   2HD   LYS  40          2HD       LYS  40 -16.133 -14.387   0.151
  205   1HE   LYS  40          1HE       LYS  40 -14.649 -15.427  -1.189
  206   2HE   LYS  40          2HE       LYS  40 -14.466 -13.816  -1.881
  207   1HZ   LYS  40          1HZ       LYS  40 -12.722 -15.126   0.128
  208   2HZ   LYS  40          2HZ       LYS  40 -12.605 -13.483  -0.272
  209   3HZ   LYS  40          3HZ       LYS  40 -12.309 -14.664  -1.453
  210    H    THR  41           H        THR  41 -13.672  -9.926  -0.979
  211    HA   THR  41           HA       THR  41 -14.551  -8.972   1.509
  212    HB   THR  41           HB       THR  41 -12.189  -7.609   0.980
  213    HG1  THR  41           HG1      THR  41 -11.040  -9.608   0.022
  214   1HG2  THR  41          1HG2      THR  41 -12.260  -8.740   2.988
  215   2HG2  THR  41          2HG2      THR  41 -11.208  -9.806   2.058
  216   3HG2  THR  41          3HG2      THR  41 -12.913 -10.208   2.263
  217    H    ARG  42           H        ARG  42 -15.186  -6.980   2.248
  218    HA   ARG  42           HA       ARG  42 -15.015  -4.720   0.388
  219   1HB   ARG  42          1HB       ARG  42 -17.302  -4.016   0.988
  220   2HB   ARG  42          2HB       ARG  42 -17.262  -5.548   0.133
  221   1HG   ARG  42          1HG       ARG  42 -17.627  -6.752   2.196
  222   2HG   ARG  42          2HG       ARG  42 -17.556  -5.246   3.113
  223   1HD   ARG  42          1HD       ARG  42 -19.592  -5.886   0.978
  224   2HD   ARG  42          2HD       ARG  42 -19.872  -6.014   2.714
  225    HE   ARG  42           HE       ARG  42 -19.370  -3.498   1.255
  226   1HH1  ARG  42          1HH1      ARG  42 -20.731  -5.258   3.978
  227   2HH1  ARG  42          2HH1      ARG  42 -21.499  -3.851   4.653
  228   1HH2  ARG  42          1HH2      ARG  42 -20.407  -1.653   2.160
  229   2HH2  ARG  42          2HH2      ARG  42 -21.312  -1.823   3.640
  230    H    GLY  43           H        GLY  43 -14.657  -2.754   1.291
  231   1HA   GLY  43          1HA       GLY  43 -15.023  -1.971   3.926
  232   2HA   GLY  43          2HA       GLY  43 -13.425  -2.704   3.840
  233    H    GLY  44           H        GLY  44 -11.758  -1.511   3.099
  234   1HA   GLY  44          1HA       GLY  44 -10.858   0.076   1.532
  235   2HA   GLY  44          2HA       GLY  44 -12.400   0.915   1.558
  236    H    GLU  45           H        GLU  45 -10.714  -0.190   4.432
  237    HA   GLU  45           HA       GLU  45 -10.566   2.542   5.390
  238   1HB   GLU  45          1HB       GLU  45  -9.648   0.028   6.793
  239   2HB   GLU  45          2HB       GLU  45  -9.945   1.600   7.523
  240   1HG   GLU  45          1HG       GLU  45 -12.347   1.343   6.815
  241   2HG   GLU  45          2HG       GLU  45 -11.957  -0.329   6.407
  242    H    LEU  46           H        LEU  46  -8.583   3.395   6.352
  243    HA   LEU  46           HA       LEU  46  -6.359   2.985   4.565
  244   1HB   LEU  46          1HB       LEU  46  -7.147   4.981   6.593
  245   2HB   LEU  46          2HB       LEU  46  -5.423   4.749   6.389
  246    HG   LEU  46           HG       LEU  46  -5.479   6.179   4.682
  247   1HD1  LEU  46          1HD1      LEU  46  -6.118   5.463   2.573
  248   2HD1  LEU  46          2HD1      LEU  46  -5.873   3.948   3.442
  249   3HD1  LEU  46          3HD1      LEU  46  -7.506   4.562   3.187
  250   1HD2  LEU  46          1HD2      LEU  46  -7.628   7.154   3.885
  251   2HD2  LEU  46          2HD2      LEU  46  -8.472   6.034   4.955
  252   3HD2  LEU  46          3HD2      LEU  46  -7.387   7.248   5.629
  253    H    TYR  47           H        TYR  47  -5.985   0.764   5.241
  254    HA   TYR  47           HA       TYR  47  -3.973   0.681   7.330
  255   1HB   TYR  47          1HB       TYR  47  -5.940   0.043   8.585
  256   2HB   TYR  47          2HB       TYR  47  -6.425  -1.094   7.340
  257    HD1  TYR  47           HD1      TYR  47  -4.863  -3.122   6.933
  258    HD2  TYR  47           HD2      TYR  47  -4.673  -0.675  10.409
  259    HE1  TYR  47           HE1      TYR  47  -3.707  -4.929   8.127
  260    HE2  TYR  47           HE2      TYR  47  -3.506  -2.477  11.614
  261    HH   TYR  47           HH       TYR  47  -3.299  -5.676  10.372
  262    H    ALA  48           H        ALA  48  -2.278  -0.378   6.607
  263    HA   ALA  48           HA       ALA  48  -2.551  -2.793   5.050
  264   1HB   ALA  48          1HB       ALA  48  -2.482  -0.728   3.462
  265   2HB   ALA  48          2HB       ALA  48  -0.766  -0.699   3.867
  266   3HB   ALA  48          3HB       ALA  48  -1.468  -2.128   3.111
  267    H    VAL  49           H        VAL  49  -1.155  -4.198   5.980
  268    HA   VAL  49           HA       VAL  49   1.084  -3.070   7.470
  269    HB   VAL  49           HB       VAL  49  -0.033  -4.755   8.722
  270   1HG1  VAL  49          1HG1      VAL  49  -0.957  -6.620   7.921
  271   2HG1  VAL  49          2HG1      VAL  49  -0.672  -5.912   6.329
  272   3HG1  VAL  49          3HG1      VAL  49   0.491  -7.053   7.009
  273   1HG2  VAL  49          1HG2      VAL  49   2.668  -4.853   8.171
  274   2HG2  VAL  49          2HG2      VAL  49   1.845  -5.685   9.496
  275   3HG2  VAL  49          3HG2      VAL  49   2.151  -6.532   7.978
  276    H    LEU  50           H        LEU  50   3.017  -2.909   6.685
  277    HA   LEU  50           HA       LEU  50   3.696  -4.322   4.216
  278   1HB   LEU  50          1HB       LEU  50   4.172  -2.035   3.970
  279   2HB   LEU  50          2HB       LEU  50   4.785  -1.889   5.606
  280    HG   LEU  50           HG       LEU  50   6.542  -3.675   4.444
  281   1HD1  LEU  50          1HD1      LEU  50   6.405  -3.458   2.236
  282   2HD1  LEU  50          2HD1      LEU  50   5.291  -2.098   2.365
  283   3HD1  LEU  50          3HD1      LEU  50   7.032  -1.823   2.445
  284   1HD2  LEU  50          1HD2      LEU  50   7.997  -2.197   5.247
  285   2HD2  LEU  50          2HD2      LEU  50   7.402  -0.918   4.190
  286   3HD2  LEU  50          3HD2      LEU  50   6.605  -1.230   5.733
  287    H    HIS  51           H        HIS  51   4.518  -6.282   4.636
  288    HA   HIS  51           HA       HIS  51   6.156  -6.673   7.003
  289   1HB   HIS  51          1HB       HIS  51   4.805  -8.441   5.052
  290   2HB   HIS  51          2HB       HIS  51   6.303  -9.051   5.750
  291    HD1  HIS  51           HD1      HIS  51   6.225  -8.480   8.599
  292    HD2  HIS  51           HD2      HIS  51   2.738  -9.336   6.501
  293    HE1  HIS  51           HE1      HIS  51   4.550  -9.215  10.326
  294    HE2  HIS  51           HE2      HIS  51   2.527  -9.942   9.012
  295    H    SER  52           H        SER  52   8.266  -6.832   7.039
  296    HA   SER  52           HA       SER  52   9.667  -6.457   4.476
  297   1HB   SER  52          1HB       SER  52  10.700  -5.531   7.143
  298   2HB   SER  52          2HB       SER  52  11.149  -4.974   5.535
  299    HG   SER  52           HG       SER  52   9.384  -3.775   5.415
  300    H    THR  53           H        THR  53   9.629  -8.802   4.416
  301    HA   THR  53           HA       THR  53  11.065 -10.265   6.449
  302    HB   THR  53           HB       THR  53   9.142 -11.383   5.706
  303    HG1  THR  53           HG1      THR  53  11.403 -12.477   4.363
  304   1HG2  THR  53          1HG2      THR  53   8.914  -9.970   3.629
  305   2HG2  THR  53          2HG2      THR  53   8.438 -11.660   3.453
  306   3HG2  THR  53          3HG2      THR  53   9.993 -11.108   2.828
  307    H    ASN  54           H        ASN  54  12.942  -8.709   5.634
  308    HA   ASN  54           HA       ASN  54  14.712 -10.476   4.117
  309   1HB   ASN  54          1HB       ASN  54  13.862  -7.789   3.324
  310   2HB   ASN  54          2HB       ASN  54  15.612  -7.945   3.433
  311   1HD2  ASN  54          1HD2      ASN  54  16.268  -8.073   1.405
  312   2HD2  ASN  54          2HD2      ASN  54  15.688  -9.223   0.245
  313    H    VAL  55           H        VAL  55  17.053  -9.155   4.305
  314    HA   VAL  55           HA       VAL  55  17.639  -9.266   7.112
  315    HB   VAL  55           HB       VAL  55  19.557  -8.049   5.167
  316   1HG1  VAL  55          1HG1      VAL  55  20.292  -8.216   7.426
  317   2HG1  VAL  55          2HG1      VAL  55  19.775  -9.899   7.537
  318   3HG1  VAL  55          3HG1      VAL  55  21.142  -9.463   6.512
  319   1HG2  VAL  55          1HG2      VAL  55  18.274 -10.547   4.689
  320   2HG2  VAL  55          2HG2      VAL  55  19.605  -9.809   3.797
  321   3HG2  VAL  55          3HG2      VAL  55  19.942 -10.871   5.164
  322    H    ASN  56           H        ASN  56  18.544  -6.702   4.849
  323    HA   ASN  56           HA       ASN  56  17.990  -4.750   6.969
  324   1HB   ASN  56          1HB       ASN  56  20.226  -5.026   5.397
  325   2HB   ASN  56          2HB       ASN  56  19.319  -3.777   4.533
  326   1HD2  ASN  56          1HD2      ASN  56  18.437  -2.042   5.953
  327   2HD2  ASN  56          2HD2      ASN  56  19.474  -1.437   7.200
  328    H    ALA  57           H        ALA  57  15.730  -5.602   5.979
  329    HA   ALA  57           HA       ALA  57  14.904  -4.277   3.581
  330   1HB   ALA  57          1HB       ALA  57  13.948  -6.424   4.366
  331   2HB   ALA  57          2HB       ALA  57  13.182  -5.556   5.694
  332   3HB   ALA  57          3HB       ALA  57  12.732  -5.195   4.026
  333    H    ASP  58           H        ASP  58  15.777  -2.204   4.493
  334    HA   ASP  58           HA       ASP  58  14.153  -0.822   6.449
  335   1HB   ASP  58          1HB       ASP  58  16.725  -0.609   6.005
  336   2HB   ASP  58          2HB       ASP  58  16.235   0.484   4.718
  337    H    MET  59           H        MET  59  12.184  -1.134   5.060
  338    HA   MET  59           HA       MET  59  12.080   0.875   2.915
  339   1HB   MET  59          1HB       MET  59   9.763  -0.902   3.164
  340   2HB   MET  59          2HB       MET  59  10.675  -0.439   1.736
  341   1HG   MET  59          1HG       MET  59  11.718  -2.382   1.707
  342   2HG   MET  59          2HG       MET  59  12.247  -2.182   3.376
  343   1HE   MET  59          1HE       MET  59  11.826  -4.818   2.058
  344   2HE   MET  59          2HE       MET  59  10.405  -5.744   2.540
  345   3HE   MET  59          3HE       MET  59  10.316  -4.646   1.162
  346    H    THR  60           H        THR  60  11.040   2.673   3.299
  347    HA   THR  60           HA       THR  60   9.441   2.896   5.708
  348    HB   THR  60           HB       THR  60   9.703   5.214   3.874
  349    HG1  THR  60           HG1      THR  60  11.901   3.973   5.207
  350   1HG2  THR  60          1HG2      THR  60  10.205   6.342   6.042
  351   2HG2  THR  60          2HG2      THR  60  10.013   4.784   6.846
  352   3HG2  THR  60          3HG2      THR  60   8.643   5.521   6.014
  353    H    LEU  61           H        LEU  61   7.384   2.414   5.618
  354    HA   LEU  61           HA       LEU  61   5.948   2.434   3.103
  355   1HB   LEU  61          1HB       LEU  61   5.743   0.759   5.123
  356   2HB   LEU  61          2HB       LEU  61   4.638   1.967   5.751
  357    HG   LEU  61           HG       LEU  61   3.712  -0.037   4.400
  358   1HD1  LEU  61          1HD1      LEU  61   2.180   1.842   3.169
  359   2HD1  LEU  61          2HD1      LEU  61   1.985   1.311   4.840
  360   3HD1  LEU  61          3HD1      LEU  61   2.909   2.770   4.479
  361   1HD2  LEU  61          1HD2      LEU  61   3.457   0.770   1.938
  362   2HD2  LEU  61          2HD2      LEU  61   4.947   1.649   2.273
  363   3HD2  LEU  61          3HD2      LEU  61   4.906  -0.106   2.431
  364    H    ILE  62           H        ILE  62   5.386   4.377   2.393
  365    HA   ILE  62           HA       ILE  62   4.281   6.261   4.355
  366    HB   ILE  62           HB       ILE  62   6.325   7.190   3.660
  367   1HG1  ILE  62          1HG1      ILE  62   5.133   8.876   1.730
  368   2HG1  ILE  62          2HG1      ILE  62   3.861   8.411   2.854
  369   1HG2  ILE  62          1HG2      ILE  62   5.741   7.087   0.750
  370   2HG2  ILE  62          2HG2      ILE  62   7.286   7.115   1.599
  371   3HG2  ILE  62          3HG2      ILE  62   6.332   5.631   1.552
  372   1HD1  ILE  62          1HD1      ILE  62   4.729   9.614   4.527
  373   2HD1  ILE  62          2HD1      ILE  62   6.391   9.208   4.100
  374   3HD1  ILE  62          3HD1      ILE  62   5.542  10.481   3.223
  375    H    LEU  63           H        LEU  63   2.328   6.977   4.050
  376    HA   LEU  63           HA       LEU  63   0.792   6.171   1.727
  377   1HB   LEU  63          1HB       LEU  63   0.205   6.598   4.402
  378   2HB   LEU  63          2HB       LEU  63  -0.489   7.999   3.618
  379    HG   LEU  63           HG       LEU  63  -1.267   5.125   3.412
  380   1HD1  LEU  63          1HD1      LEU  63  -2.465   7.696   4.159
  381   2HD1  LEU  63          2HD1      LEU  63  -3.504   6.636   3.206
  382   3HD1  LEU  63          3HD1      LEU  63  -2.821   6.065   4.727
  383   1HD2  LEU  63          1HD2      LEU  63  -1.106   5.383   1.143
  384   2HD2  LEU  63          2HD2      LEU  63  -2.728   6.016   1.425
  385   3HD2  LEU  63          3HD2      LEU  63  -1.376   7.124   1.210
  386    H    LEU  64           H        LEU  64   0.665   7.405  -0.037
  387    HA   LEU  64           HA       LEU  64   1.208  10.288   0.254
  388   1HB   LEU  64          1HB       LEU  64   1.906   8.371  -1.960
  389   2HB   LEU  64          2HB       LEU  64   1.903  10.109  -2.200
  390    HG   LEU  64           HG       LEU  64   3.475  10.025  -0.060
  391   1HD1  LEU  64          1HD1      LEU  64   3.525   7.735   0.381
  392   2HD1  LEU  64          2HD1      LEU  64   3.682   7.322  -1.326
  393   3HD1  LEU  64          3HD1      LEU  64   5.040   8.049  -0.469
  394   1HD2  LEU  64          1HD2      LEU  64   3.983  10.968  -2.296
  395   2HD2  LEU  64          2HD2      LEU  64   5.362  10.194  -1.514
  396   3HD2  LEU  64          3HD2      LEU  64   4.499   9.360  -2.805
  397    H    ARG  65           H        ARG  65  -0.083  11.730  -0.833
  398    HA   ARG  65           HA       ARG  65  -2.150  10.638  -2.565
  399   1HB   ARG  65          1HB       ARG  65  -3.887  12.064  -1.500
  400   2HB   ARG  65          2HB       ARG  65  -3.310  10.764  -0.472
  401   1HG   ARG  65          1HG       ARG  65  -2.851  12.219   1.123
  402   2HG   ARG  65          2HG       ARG  65  -1.734  13.067   0.050
  403   1HD   ARG  65          1HD       ARG  65  -3.260  14.662  -0.507
  404   2HD   ARG  65          2HD       ARG  65  -4.626  13.559  -0.353
  405    HE   ARG  65           HE       ARG  65  -3.969  13.816   2.189
  406   1HH1  ARG  65          1HH1      ARG  65  -4.173  16.270  -0.309
  407   2HH1  ARG  65          2HH1      ARG  65  -4.576  17.548   0.810
  408   1HH2  ARG  65          1HH2      ARG  65  -4.524  15.465   3.641
  409   2HH2  ARG  65          2HH2      ARG  65  -4.790  17.083   3.057
  410    H    ASN  66           H        ASN  66  -1.691  11.555  -4.388
  411    HA   ASN  66           HA       ASN  66  -1.475  14.479  -4.507
  412   1HB   ASN  66          1HB       ASN  66   0.687  14.233  -5.134
  413   2HB   ASN  66          2HB       ASN  66   0.509  12.500  -5.361
  414   1HD2  ASN  66          1HD2      ASN  66   0.194  11.694  -7.395
  415   2HD2  ASN  66          2HD2      ASN  66   0.214  12.666  -8.829
  416    H    VAL  67           H        VAL  67  -2.493  15.389  -6.325
  417    HA   VAL  67           HA       VAL  67  -3.440  13.645  -8.395
  418    HB   VAL  67           HB       VAL  67  -5.069  13.481  -6.410
  419   1HG1  VAL  67          1HG1      VAL  67  -6.688  15.668  -7.367
  420   2HG1  VAL  67          2HG1      VAL  67  -6.200  15.261  -5.721
  421   3HG1  VAL  67          3HG1      VAL  67  -5.148  16.249  -6.733
  422   1HG2  VAL  67          1HG2      VAL  67  -5.897  14.046  -9.244
  423   2HG2  VAL  67          2HG2      VAL  67  -5.647  12.487  -8.461
  424   3HG2  VAL  67          3HG2      VAL  67  -7.031  13.483  -8.016
  425    H    GLY  68           H        GLY  68  -4.084  14.694 -10.227
  426   1HA   GLY  68          1HA       GLY  68  -4.640  16.957 -11.211
  427   2HA   GLY  68          2HA       GLY  68  -3.237  17.513 -10.300
  428    H    GLY  69           H        GLY  69  -1.250  16.005 -10.671
  429   1HA   GLY  69          1HA       GLY  69  -0.560  14.293 -12.463
  430   2HA   GLY  69          2HA       GLY  69  -1.014  15.575 -13.576
  431    H    ASN  70           H        ASN  70   1.214  14.712 -10.971
  432    HA   ASN  70           HA       ASN  70   3.345  16.051 -12.336
  433   1HB   ASN  70          1HB       ASN  70   2.096  17.862 -10.960
  434   2HB   ASN  70          2HB       ASN  70   2.867  17.107  -9.568
  435   1HD2  ASN  70          1HD2      ASN  70   3.534  18.544 -12.718
  436   2HD2  ASN  70          2HD2      ASN  70   5.111  19.137 -12.313
  437    H    GLY  71           H        GLY  71   2.457  14.882  -9.066
  438   1HA   GLY  71          1HA       GLY  71   4.121  12.664  -9.063
  439   2HA   GLY  71          2HA       GLY  71   5.112  14.007  -8.514
  440    H    TRP  72           H        TRP  72   4.148  11.576  -7.123
  441    HA   TRP  72           HA       TRP  72   2.014  12.142  -5.393
  442   1HB   TRP  72          1HB       TRP  72   4.333  10.223  -5.126
  443   2HB   TRP  72          2HB       TRP  72   2.961  10.258  -4.025
  444    HD1  TRP  72           HD1      TRP  72   4.121   8.496  -7.008
  445    HE1  TRP  72           HE1      TRP  72   2.177   7.316  -8.210
  446    HE3  TRP  72           HE3      TRP  72   0.156  10.755  -4.638
  447    HZ2  TRP  72           HZ2      TRP  72  -0.639   7.317  -8.157
  448    HZ3  TRP  72           HZ3      TRP  72  -2.121  10.082  -5.273
  449    HH2  TRP  72           HH2      TRP  72  -2.510   8.400  -6.997
  450    H    GLY  73           H        GLY  73   1.945  12.782  -3.238
  451   1HA   GLY  73          1HA       GLY  73   4.341  14.217  -2.283
  452   2HA   GLY  73          2HA       GLY  73   2.687  14.704  -1.932
  453    H    GLU  74           H        GLU  74   5.291  13.458  -0.522
  454    HA   GLU  74           HA       GLU  74   4.320  11.130   0.777
  455   1HB   GLU  74          1HB       GLU  74   6.477  12.800   2.002
  456   2HB   GLU  74          2HB       GLU  74   6.361  11.053   1.855
  457   1HG   GLU  74          1HG       GLU  74   6.519  11.916  -0.764
  458   2HG   GLU  74          2HG       GLU  74   7.619  12.985   0.101
  459    H    ILE  75           H        ILE  75   2.918  10.979   2.405
  460    HA   ILE  75           HA       ILE  75   2.459  13.373   4.060
  461    HB   ILE  75           HB       ILE  75   0.442  11.194   3.534
  462   1HG1  ILE  75          1HG1      ILE  75   1.027  12.394   1.444
  463   2HG1  ILE  75          2HG1      ILE  75  -0.634  12.679   1.950
  464   1HG2  ILE  75          1HG2      ILE  75  -0.897  13.499   4.193
  465   2HG2  ILE  75          2HG2      ILE  75  -0.559  12.152   5.278
  466   3HG2  ILE  75          3HG2      ILE  75   0.518  13.548   5.244
  467   1HD1  ILE  75          1HD1      ILE  75   0.414  14.716   1.135
  468   2HD1  ILE  75          2HD1      ILE  75   0.010  14.851   2.847
  469   3HD1  ILE  75          3HD1      ILE  75   1.678  14.561   2.356
  470    H    LYS  76           H        LYS  76   1.579   9.928   4.412
  471    HA   LYS  76           HA       LYS  76   2.327  10.167   7.249
  472   1HB   LYS  76          1HB       LYS  76   0.073   9.520   7.097
  473   2HB   LYS  76          2HB       LYS  76   0.385   8.412   5.772
  474   1HG   LYS  76          1HG       LYS  76   0.032   6.972   7.526
  475   2HG   LYS  76          2HG       LYS  76   1.791   7.112   7.527
  476   1HD   LYS  76          1HD       LYS  76   1.203   9.134   9.175
  477   2HD   LYS  76          2HD       LYS  76  -0.202   8.108   9.479
  478   1HE   LYS  76          1HE       LYS  76   1.770   6.269   9.582
  479   2HE   LYS  76          2HE       LYS  76   2.642   7.692  10.149
  480   1HZ   LYS  76          1HZ       LYS  76   0.112   7.512  11.421
  481   2HZ   LYS  76          2HZ       LYS  76   1.664   7.526  12.114
  482   3HZ   LYS  76          3HZ       LYS  76   0.967   6.059  11.618
  483    H    ARG  77           H        ARG  77   4.194   9.308   7.871
  484    HA   ARG  77           HA       ARG  77   5.408   7.204   6.215
  485   1HB   ARG  77          1HB       ARG  77   6.420   9.571   7.355
  486   2HB   ARG  77          2HB       ARG  77   7.139   8.254   8.269
  487   1HG   ARG  77          1HG       ARG  77   8.148   7.340   6.353
  488   2HG   ARG  77          2HG       ARG  77   7.172   8.335   5.270
  489   1HD   ARG  77          1HD       ARG  77   8.362  10.273   5.785
  490   2HD   ARG  77          2HD       ARG  77   9.028   9.584   7.265
  491    HE   ARG  77           HE       ARG  77  10.568   8.339   5.959
  492   1HH1  ARG  77          1HH1      ARG  77   8.639  10.614   4.117
  493   2HH1  ARG  77          2HH1      ARG  77   9.674  10.570   2.716
  494   1HH2  ARG  77          1HH2      ARG  77  11.968   8.305   4.152
  495   2HH2  ARG  77          2HH2      ARG  77  11.608   9.301   2.765
  496    H    ASN  78           H        ASN  78   5.583   5.172   6.972
  497    HA   ASN  78           HA       ASN  78   5.519   4.787   9.893
  498   1HB   ASN  78          1HB       ASN  78   3.636   3.852   7.982
  499   2HB   ASN  78          2HB       ASN  78   4.539   2.457   8.560
  500   1HD2  ASN  78          1HD2      ASN  78   4.559   2.058  10.876
  501   2HD2  ASN  78          2HD2      ASN  78   3.186   2.532  11.816
  502    H    ASP  79           H        ASP  79   6.419   2.643  10.531
  503    HA   ASP  79           HA       ASP  79   9.072   2.471   9.459
  504   1HB   ASP  79          1HB       ASP  79   9.243   0.671  11.329
  505   2HB   ASP  79          2HB       ASP  79   9.053   2.358  11.783
  506    H    ILE  80           H        ILE  80   9.718  -0.195   9.949
  507    HA   ILE  80           HA       ILE  80   8.504  -1.475   7.604
  508    HB   ILE  80           HB       ILE  80  10.439  -2.835   7.435
  509   1HG1  ILE  80          1HG1      ILE  80  11.855  -1.834   9.826
  510   2HG1  ILE  80          2HG1      ILE  80  10.483  -2.887  10.159
  511   1HG2  ILE  80          1HG2      ILE  80  11.125  -0.014   8.192
  512   2HG2  ILE  80          2HG2      ILE  80  12.333  -1.143   7.577
  513   3HG2  ILE  80          3HG2      ILE  80  10.944  -0.710   6.582
  514   1HD1  ILE  80          1HD1      ILE  80  11.857  -4.590   9.848
  515   2HD1  ILE  80          2HD1      ILE  80  11.876  -4.172   8.135
  516   3HD1  ILE  80          3HD1      ILE  80  13.122  -3.540   9.209
  517    H    ASP  81           H        ASP  81   8.023  -3.727   7.643
  518    HA   ASP  81           HA       ASP  81   6.733  -5.426   8.412
  519   1HB   ASP  81          1HB       ASP  81   9.169  -5.678   9.471
  520   2HB   ASP  81          2HB       ASP  81   8.250  -5.526  10.967
  521    H    LYS  82           H        LYS  82   5.401  -3.141   8.824
  522    HA   LYS  82           HA       LYS  82   4.102  -3.520  11.432
  523   1HB   LYS  82          1HB       LYS  82   3.992  -1.012  11.635
  524   2HB   LYS  82          2HB       LYS  82   5.585  -1.723  11.870
  525   1HG   LYS  82          1HG       LYS  82   6.077   0.050  10.518
  526   2HG   LYS  82          2HG       LYS  82   5.863  -1.235   9.329
  527   1HD   LYS  82          1HD       LYS  82   3.318  -0.141   9.757
  528   2HD   LYS  82          2HD       LYS  82   4.421   1.230   9.637
  529   1HE   LYS  82          1HE       LYS  82   4.913   0.820   7.464
  530   2HE   LYS  82          2HE       LYS  82   4.752  -0.927   7.646
  531   1HZ   LYS  82          1HZ       LYS  82   3.003   0.282   6.280
  532   2HZ   LYS  82          2HZ       LYS  82   2.396   0.851   7.751
  533   3HZ   LYS  82          3HZ       LYS  82   2.452  -0.812   7.446
  534    HA   PRO  83           HA       PRO  83   0.432  -2.550   9.067
  535   1HB   PRO  83          1HB       PRO  83  -1.034  -1.812  11.396
  536   2HB   PRO  83          2HB       PRO  83  -1.024  -3.379  10.586
  537   1HG   PRO  83          1HG       PRO  83  -0.024  -2.883  13.125
  538   2HG   PRO  83          2HG       PRO  83   0.397  -4.275  12.117
  539   1HD   PRO  83          1HD       PRO  83   1.901  -1.740  12.573
  540   2HD   PRO  83          2HD       PRO  83   2.511  -3.398  12.372
  541    H    LEU  84           H        LEU  84  -0.204  -0.750   8.016
  542    HA   LEU  84           HA       LEU  84   0.395   1.890   9.016
  543   1HB   LEU  84          1HB       LEU  84   0.239   0.970   6.533
  544   2HB   LEU  84          2HB       LEU  84  -1.450   1.395   6.713
  545    HG   LEU  84           HG       LEU  84  -0.077   3.128   5.580
  546   1HD1  LEU  84          1HD1      LEU  84  -1.904   3.507   7.772
  547   2HD1  LEU  84          2HD1      LEU  84  -0.769   4.851   7.656
  548   3HD1  LEU  84          3HD1      LEU  84  -1.753   4.408   6.263
  549   1HD2  LEU  84          1HD2      LEU  84   1.119   3.773   8.245
  550   2HD2  LEU  84          2HD2      LEU  84   1.921   2.673   7.124
  551   3HD2  LEU  84          3HD2      LEU  84   1.594   4.338   6.643
  552    H    LYS  85           H        LYS  85  -0.859   2.810  10.528
  553    HA   LYS  85           HA       LYS  85  -3.724   2.132  10.513
  554   1HB   LYS  85          1HB       LYS  85  -1.805   2.006  12.609
  555   2HB   LYS  85          2HB       LYS  85  -2.941   3.286  13.004
  556   1HG   LYS  85          1HG       LYS  85  -4.275   0.897  12.046
  557   2HG   LYS  85          2HG       LYS  85  -3.284   0.593  13.474
  558   1HD   LYS  85          1HD       LYS  85  -4.882   3.043  13.623
  559   2HD   LYS  85          2HD       LYS  85  -5.840   1.566  13.509
  560   1HE   LYS  85          1HE       LYS  85  -4.295   0.679  15.370
  561   2HE   LYS  85          2HE       LYS  85  -3.853   2.369  15.607
  562   1HZ   LYS  85          1HZ       LYS  85  -6.033   1.063  16.664
  563   2HZ   LYS  85          2HZ       LYS  85  -6.676   2.073  15.461
  564   3HZ   LYS  85          3HZ       LYS  85  -5.729   2.732  16.702
  565    H    TYR  86           H        TYR  86  -4.715   3.712   9.474
  566    HA   TYR  86           HA       TYR  86  -4.335   6.445  10.497
  567   1HB   TYR  86          1HB       TYR  86  -3.421   6.026   8.140
  568   2HB   TYR  86          2HB       TYR  86  -5.094   5.807   7.644
  569    HD1  TYR  86           HD1      TYR  86  -3.405   8.301   9.871
  570    HD2  TYR  86           HD2      TYR  86  -5.785   7.618   6.409
  571    HE1  TYR  86           HE1      TYR  86  -3.616  10.728   9.545
  572    HE2  TYR  86           HE2      TYR  86  -6.004  10.044   6.074
  573    HH   TYR  86           HH       TYR  86  -5.888  12.139   7.701
  574    H    GLU  87           H        GLU  87  -6.066   6.580  11.809
  575    HA   GLU  87           HA       GLU  87  -8.590   5.375  11.017
  576   1HB   GLU  87          1HB       GLU  87  -9.319   5.939  13.295
  577   2HB   GLU  87          2HB       GLU  87  -7.822   5.020  13.288
  578   1HG   GLU  87          1HG       GLU  87  -7.583   7.964  13.335
  579   2HG   GLU  87          2HG       GLU  87  -8.196   7.184  14.790
  580    H    ASP  88           H        ASP  88  -7.349   8.034   9.962
  581    HA   ASP  88           HA       ASP  88  -9.475   9.895  10.637
  582   1HB   ASP  88          1HB       ASP  88  -7.390  10.984  10.467
  583   2HB   ASP  88          2HB       ASP  88  -6.976  10.145   8.976
  584    H    TYR  89           H        TYR  89 -11.331   9.269   9.743
  585    HA   TYR  89           HA       TYR  89 -11.400   9.362   6.808
  586   1HB   TYR  89          1HB       TYR  89 -12.302   7.238   8.472
  587   2HB   TYR  89          2HB       TYR  89 -13.731   8.022   7.802
  588    HD1  TYR  89           HD1      TYR  89 -14.177   7.965   5.416
  589    HD2  TYR  89           HD2      TYR  89 -10.686   6.139   7.020
  590    HE1  TYR  89           HE1      TYR  89 -13.822   6.787   3.287
  591    HE2  TYR  89           HE2      TYR  89 -10.320   4.954   4.895
  592    HH   TYR  89           HH       TYR  89 -11.583   4.226   2.939
  593    H    TYR  90           H        TYR  90 -11.597  11.342   8.993
  594    HA   TYR  90           HA       TYR  90 -14.340  12.289   8.866
  595   1HB   TYR  90          1HB       TYR  90 -12.005  13.846   9.963
  596   2HB   TYR  90          2HB       TYR  90 -13.699  13.939  10.428
  597    HD1  TYR  90           HD1      TYR  90 -10.602  12.886  11.511
  598    HD2  TYR  90           HD2      TYR  90 -14.621  11.512  11.279
  599    HE1  TYR  90           HE1      TYR  90 -10.167  11.316  13.355
  600    HE2  TYR  90           HE2      TYR  90 -14.197   9.942  13.122
  601    HH   TYR  90           HH       TYR  90 -11.294  10.050  15.007
  602    H    THR  91           H        THR  91 -11.200  12.964   7.508
  603    HA   THR  91           HA       THR  91 -12.050  15.210   5.947
  604    HB   THR  91           HB       THR  91  -9.727  13.532   5.118
  605    HG1  THR  91           HG1      THR  91  -9.122  13.491   7.186
  606   1HG2  THR  91          1HG2      THR  91 -10.629  16.286   4.896
  607   2HG2  THR  91          2HG2      THR  91  -9.428  15.414   3.943
  608   3HG2  THR  91          3HG2      THR  91  -8.961  16.178   5.463
  609    H    SER  92           H        SER  92 -12.631  15.228   3.765
  610    HA   SER  92           HA       SER  92 -14.171  13.151   2.777
  611   1HB   SER  92          1HB       SER  92 -12.909  14.842   0.723
  612   2HB   SER  92          2HB       SER  92 -14.618  14.581   1.077
  613    HG   SER  92           HG       SER  92 -14.609  16.204   2.485
  614    H    GLY  93           H        GLY  93 -13.809  11.369   1.603
  615   1HA   GLY  93          1HA       GLY  93 -11.214  10.257   1.629
  616   2HA   GLY  93          2HA       GLY  93 -12.624   9.567   0.838
  617    H    LEU  94           H        LEU  94  -9.625  10.962   0.410
  618    HA   LEU  94           HA       LEU  94 -10.111  11.645  -2.390
  619   1HB   LEU  94          1HB       LEU  94  -8.324  12.575  -0.383
  620   2HB   LEU  94          2HB       LEU  94  -7.353  11.827  -1.634
  621    HG   LEU  94           HG       LEU  94  -7.931  14.390  -1.718
  622   1HD1  LEU  94          1HD1      LEU  94  -7.371  12.380  -3.708
  623   2HD1  LEU  94          2HD1      LEU  94  -8.263  13.739  -4.393
  624   3HD1  LEU  94          3HD1      LEU  94  -6.740  14.019  -3.549
  625   1HD2  LEU  94          1HD2      LEU  94 -10.403  13.909  -1.609
  626   2HD2  LEU  94          2HD2      LEU  94  -9.884  14.965  -2.923
  627   3HD2  LEU  94          3HD2      LEU  94 -10.268  13.274  -3.249
  628    H    SER  95           H        SER  95  -7.591  10.952  -3.412
  629    HA   SER  95           HA       SER  95  -7.717   8.029  -3.324
  630   1HB   SER  95          1HB       SER  95  -6.502   9.927  -5.346
  631   2HB   SER  95          2HB       SER  95  -6.317   8.173  -5.414
  632    HG   SER  95           HG       SER  95  -8.640   9.744  -5.744
  633    H    TRP  96           H        TRP  96  -6.277   6.987  -2.174
  634    HA   TRP  96           HA       TRP  96  -3.772   8.355  -1.457
  635   1HB   TRP  96          1HB       TRP  96  -4.741   6.003   0.106
  636   2HB   TRP  96          2HB       TRP  96  -3.839   7.412   0.645
  637    HD1  TRP  96           HD1      TRP  96  -7.426   6.242  -0.041
  638    HE1  TRP  96           HE1      TRP  96  -9.045   7.843   1.154
  639    HE3  TRP  96           HE3      TRP  96  -4.062   9.757   1.535
  640    HZ2  TRP  96           HZ2      TRP  96  -8.913  10.278   2.581
  641    HZ3  TRP  96           HZ3      TRP  96  -4.893  11.691   2.814
  642    HH2  TRP  96           HH2      TRP  96  -7.268  11.944   3.327
  643    H    ILE  97           H        ILE  97  -1.849   7.274  -1.692
  644    HA   ILE  97           HA       ILE  97  -2.007   4.610  -2.918
  645    HB   ILE  97           HB       ILE  97  -1.340   6.689  -4.404
  646   1HG1  ILE  97          1HG1      ILE  97   0.552   4.736  -5.186
  647   2HG1  ILE  97          2HG1      ILE  97  -0.794   3.880  -4.444
  648   1HG2  ILE  97          1HG2      ILE  97   1.331   5.936  -3.231
  649   2HG2  ILE  97          2HG2      ILE  97   1.046   7.049  -4.569
  650   3HG2  ILE  97          3HG2      ILE  97   0.479   7.454  -2.948
  651   1HD1  ILE  97          1HD1      ILE  97  -0.844   5.723  -6.807
  652   2HD1  ILE  97          2HD1      ILE  97  -1.277   4.015  -6.736
  653   3HD1  ILE  97          3HD1      ILE  97  -2.304   5.217  -5.956
  654    H    TRP  98           H        TRP  98  -0.706   3.084  -2.089
  655    HA   TRP  98           HA       TRP  98   0.956   3.826   0.190
  656   1HB   TRP  98          1HB       TRP  98   0.536   1.017  -0.816
  657   2HB   TRP  98          2HB       TRP  98   0.933   1.548   0.813
  658    HD1  TRP  98           HD1      TRP  98  -2.023   1.003  -1.523
  659    HE1  TRP  98           HE1      TRP  98  -4.214   1.185  -0.181
  660    HE3  TRP  98           HE3      TRP  98  -0.117   2.736   2.906
  661    HZ2  TRP  98           HZ2      TRP  98  -5.024   1.953   2.423
  662    HZ3  TRP  98           HZ3      TRP  98  -1.670   3.159   4.762
  663    HH2  TRP  98           HH2      TRP  98  -4.066   2.780   4.529
  664    H    LYS  99           H        LYS  99   2.957   4.462  -0.310
  665    HA   LYS  99           HA       LYS  99   4.259   3.185  -2.612
  666   1HB   LYS  99          1HB       LYS  99   4.002   5.659  -2.672
  667   2HB   LYS  99          2HB       LYS  99   5.009   5.766  -1.233
  668   1HG   LYS  99          1HG       LYS  99   6.883   4.806  -2.455
  669   2HG   LYS  99          2HG       LYS  99   5.874   4.647  -3.896
  670   1HD   LYS  99          1HD       LYS  99   6.982   6.621  -4.325
  671   2HD   LYS  99          2HD       LYS  99   5.502   7.210  -3.564
  672   1HE   LYS  99          1HE       LYS  99   6.587   7.667  -1.543
  673   2HE   LYS  99          2HE       LYS  99   7.963   6.640  -1.946
  674   1HZ   LYS  99          1HZ       LYS  99   7.962   9.298  -2.170
  675   2HZ   LYS  99          2HZ       LYS  99   7.506   8.869  -3.752
  676   3HZ   LYS  99          3HZ       LYS  99   8.956   8.273  -3.090
  677    H    ILE 100           H        ILE 100   5.828   1.816  -2.298
  678    HA   ILE 100           HA       ILE 100   7.085   1.580   0.325
  679    HB   ILE 100           HB       ILE 100   7.530  -0.151  -2.111
  680   1HG1  ILE 100          1HG1      ILE 100   5.779  -0.899   0.217
  681   2HG1  ILE 100          2HG1      ILE 100   5.120   0.008  -1.141
  682   1HG2  ILE 100          1HG2      ILE 100   9.196  -0.927  -0.836
  683   2HG2  ILE 100          2HG2      ILE 100   8.597  -0.104   0.605
  684   3HG2  ILE 100          3HG2      ILE 100   7.933  -1.673   0.142
  685   1HD1  ILE 100          1HD1      ILE 100   6.556  -2.609  -1.470
  686   2HD1  ILE 100          2HD1      ILE 100   4.816  -2.483  -1.218
  687   3HD1  ILE 100          3HD1      ILE 100   5.554  -1.757  -2.646
  688    H    LYS 101           H        LYS 101   8.684   2.959   0.659
  689    HA   LYS 101           HA       LYS 101  10.616   3.422  -1.515
  690   1HB   LYS 101          1HB       LYS 101   9.508   5.441  -0.609
  691   2HB   LYS 101          2HB       LYS 101  10.121   5.042   0.990
  692   1HG   LYS 101          1HG       LYS 101  12.444   5.118  -0.171
  693   2HG   LYS 101          2HG       LYS 101  11.590   6.050  -1.404
  694   1HD   LYS 101          1HD       LYS 101  11.846   6.691   1.531
  695   2HD   LYS 101          2HD       LYS 101  12.540   7.581   0.176
  696   1HE   LYS 101          1HE       LYS 101   9.621   7.229   0.075
  697   2HE   LYS 101          2HE       LYS 101  10.211   8.223   1.407
  698   1HZ   LYS 101          1HZ       LYS 101  10.719   8.645  -1.489
  699   2HZ   LYS 101          2HZ       LYS 101  11.456   9.538  -0.248
  700   3HZ   LYS 101          3HZ       LYS 101   9.773   9.619  -0.462
  701    H    ASN 102           H        ASN 102  12.375   2.183  -1.347
  702    HA   ASN 102           HA       ASN 102  12.984   0.987   1.238
  703   1HB   ASN 102          1HB       ASN 102  12.776  -0.231  -1.041
  704   2HB   ASN 102          2HB       ASN 102  14.413   0.364  -1.328
  705   1HD2  ASN 102          1HD2      ASN 102  14.791  -1.995  -1.436
  706   2HD2  ASN 102          2HD2      ASN 102  15.167  -2.820   0.043
  707    H    ASN 103           H        ASN 103  15.330   0.715   1.795
  708    HA   ASN 103           HA       ASN 103  16.784   3.253   1.337
  709   1HB   ASN 103          1HB       ASN 103  15.592   2.349   3.682
  710   2HB   ASN 103          2HB       ASN 103  17.302   1.980   3.899
  711   1HD2  ASN 103          1HD2      ASN 103  16.392   3.656   5.622
  712   2HD2  ASN 103          2HD2      ASN 103  16.827   5.301   5.271
  713    H    SER 104           H        SER 104  16.914  -0.167   1.508
  714    HA   SER 104           HA       SER 104  19.581  -0.449   2.442
  715   1HB   SER 104          1HB       SER 104  18.800  -2.828   1.190
  716   2HB   SER 104          2HB       SER 104  18.661  -2.431   2.905
  717    HG   SER 104           HG       SER 104  16.657  -3.052   1.782
  718    H    SER 105           H        SER 105  21.113  -1.938   1.189
  719    HA   SER 105           HA       SER 105  21.388  -1.009  -1.567
  720   1HB   SER 105          1HB       SER 105  23.461  -2.804  -0.961
  721   2HB   SER 105          2HB       SER 105  23.558  -1.042  -0.961
  722    HG   SER 105           HG       SER 105  24.014  -1.358   1.081
  723    H    GLU 106           H        GLU 106  20.152  -3.596   0.210
  724    HA   GLU 106           HA       GLU 106  20.554  -5.602  -1.861
  725   1HB   GLU 106          1HB       GLU 106  19.294  -7.064  -0.190
  726   2HB   GLU 106          2HB       GLU 106  20.878  -6.483   0.305
  727   1HG   GLU 106          1HG       GLU 106  20.043  -5.377   2.046
  728   2HG   GLU 106          2HG       GLU 106  18.734  -4.686   1.087
  729    H    THR 107           H        THR 107  18.809  -6.783  -2.771
  730    HA   THR 107           HA       THR 107  16.488  -5.185  -3.353
  731    HB   THR 107           HB       THR 107  16.820  -8.058  -4.177
  732    HG1  THR 107           HG1      THR 107  18.473  -5.922  -4.775
  733   1HG2  THR 107          1HG2      THR 107  15.410  -7.527  -5.925
  734   2HG2  THR 107          2HG2      THR 107  15.867  -5.824  -5.916
  735   3HG2  THR 107          3HG2      THR 107  14.795  -6.454  -4.666
  736    H    SER 108           H        SER 108  15.087  -5.013  -1.709
  737    HA   SER 108           HA       SER 108  14.801  -7.177   0.182
  738   1HB   SER 108          1HB       SER 108  13.432  -4.486   0.200
  739   2HB   SER 108          2HB       SER 108  13.628  -5.595   1.558
  740    HG   SER 108           HG       SER 108  15.981  -5.318   1.146
  741    H    ASN 109           H        ASN 109  13.081  -8.442   0.499
  742    HA   ASN 109           HA       ASN 109  10.970  -8.416  -1.495
  743   1HB   ASN 109          1HB       ASN 109  12.149 -10.532  -0.706
  744   2HB   ASN 109          2HB       ASN 109  11.283 -10.340   0.816
  745   1HD2  ASN 109          1HD2      ASN 109   8.995 -10.517   0.804
  746   2HD2  ASN 109          2HD2      ASN 109   8.178 -11.376  -0.456
  747    H    TYR 110           H        TYR 110   9.171  -7.276  -1.161
  748    HA   TYR 110           HA       TYR 110   8.422  -6.614   1.599
  749   1HB   TYR 110          1HB       TYR 110   6.855  -4.971   0.544
  750   2HB   TYR 110          2HB       TYR 110   8.547  -4.672   0.173
  751    HD1  TYR 110           HD1      TYR 110   5.339  -5.880  -1.218
  752    HD2  TYR 110           HD2      TYR 110   9.349  -4.754  -2.084
  753    HE1  TYR 110           HE1      TYR 110   4.809  -5.849  -3.616
  754    HE2  TYR 110           HE2      TYR 110   8.826  -4.722  -4.482
  755    HH   TYR 110           HH       TYR 110   6.901  -4.497  -5.947
  756    H    SER 111           H        SER 111   6.661  -7.446   2.536
  757    HA   SER 111           HA       SER 111   4.777  -8.908   0.811
  758   1HB   SER 111          1HB       SER 111   5.553  -9.505   3.679
  759   2HB   SER 111          2HB       SER 111   4.286 -10.344   2.785
  760    HG   SER 111           HG       SER 111   6.015 -10.830   1.211
  761    H    LEU 112           H        LEU 112   3.587  -7.048   0.476
  762    HA   LEU 112           HA       LEU 112   2.505  -5.522   2.666
  763   1HB   LEU 112          1HB       LEU 112   3.082  -4.783   0.220
  764   2HB   LEU 112          2HB       LEU 112   1.499  -5.428  -0.160
  765    HG   LEU 112           HG       LEU 112   0.401  -3.799   1.171
  766   1HD1  LEU 112          1HD1      LEU 112   1.586  -3.626   3.151
  767   2HD1  LEU 112          2HD1      LEU 112   3.115  -3.311   2.328
  768   3HD1  LEU 112          3HD1      LEU 112   1.871  -2.062   2.386
  769   1HD2  LEU 112          1HD2      LEU 112   2.689  -2.414  -0.223
  770   2HD2  LEU 112          2HD2      LEU 112   1.238  -3.027  -1.015
  771   3HD2  LEU 112          3HD2      LEU 112   1.112  -1.722   0.163
  772    H    ASP 113           H        ASP 113   0.678  -5.983   3.744
  773    HA   ASP 113           HA       ASP 113  -1.232  -7.797   2.433
  774   1HB   ASP 113          1HB       ASP 113   0.074  -8.368   4.778
  775   2HB   ASP 113          2HB       ASP 113  -1.445  -7.675   5.350
  776    H    ALA 114           H        ALA 114  -2.267  -6.005   1.543
  777    HA   ALA 114           HA       ALA 114  -4.323  -5.107   3.448
  778   1HB   ALA 114          1HB       ALA 114  -3.427  -3.752   0.891
  779   2HB   ALA 114          2HB       ALA 114  -4.800  -3.249   1.879
  780   3HB   ALA 114          3HB       ALA 114  -3.165  -3.163   2.533
  781    H    THR 115           H        THR 115  -6.548  -5.468   2.615
  782    HA   THR 115           HA       THR 115  -6.639  -7.441   0.477
  783    HB   THR 115           HB       THR 115  -6.002  -9.007   1.964
  784    HG1  THR 115           HG1      THR 115  -8.772  -8.676   2.549
  785   1HG2  THR 115          1HG2      THR 115  -5.526  -8.421   4.064
  786   2HG2  THR 115          2HG2      THR 115  -7.242  -8.316   4.457
  787   3HG2  THR 115          3HG2      THR 115  -6.397  -6.904   3.804
  788    H    VAL 116           H        VAL 116  -8.240  -6.261  -0.534
  789    HA   VAL 116           HA       VAL 116 -10.893  -6.811   0.465
  790    HB   VAL 116           HB       VAL 116 -10.352  -4.557   1.393
  791   1HG1  VAL 116          1HG1      VAL 116  -9.947  -2.682   0.069
  792   2HG1  VAL 116          2HG1      VAL 116  -8.923  -3.944  -0.622
  793   3HG1  VAL 116          3HG1      VAL 116 -10.441  -3.507  -1.411
  794   1HG2  VAL 116          1HG2      VAL 116 -12.569  -4.446   1.318
  795   2HG2  VAL 116          2HG2      VAL 116 -12.374  -3.493  -0.154
  796   3HG2  VAL 116          3HG2      VAL 116 -12.633  -5.233  -0.259
  797    H    HIS 117           H        HIS 117 -12.511  -6.620  -1.293
  798    HA   HIS 117           HA       HIS 117 -11.397  -7.119  -3.900
  799   1HB   HIS 117          1HB       HIS 117 -13.445  -8.266  -3.310
  800   2HB   HIS 117          2HB       HIS 117 -14.257  -6.745  -2.961
  801    HD1  HIS 117           HD1      HIS 117 -16.030  -6.585  -4.693
  802    HD2  HIS 117           HD2      HIS 117 -12.378  -7.752  -6.306
  803    HE1  HIS 117           HE1      HIS 117 -16.374  -6.640  -7.183
  804    HE2  HIS 117           HE2      HIS 117 -14.190  -7.475  -8.133
  805    H    ASP 118           H        ASP 118 -13.033  -4.499  -2.265
  806    HA   ASP 118           HA       ASP 118 -13.222  -2.281  -2.643
  807   1HB   ASP 118          1HB       ASP 118 -10.646  -2.787  -3.066
  808   2HB   ASP 118          2HB       ASP 118 -11.067  -2.280  -4.698
  809    H    ASP 119           H        ASP 119 -13.066  -0.617  -4.701
  810    HA   ASP 119           HA       ASP 119 -14.001  -1.538  -7.190
  811   1HB   ASP 119          1HB       ASP 119 -16.014  -1.797  -5.402
  812   2HB   ASP 119          2HB       ASP 119 -16.275  -0.131  -5.916
  813    H    LYS 120           H        LYS 120 -12.707   0.704  -5.246
  814    HA   LYS 120           HA       LYS 120 -13.661   3.098  -6.556
  815   1HB   LYS 120          1HB       LYS 120 -12.983   3.237  -4.230
  816   2HB   LYS 120          2HB       LYS 120 -11.389   2.608  -4.618
  817   1HG   LYS 120          1HG       LYS 120 -11.039   4.647  -6.042
  818   2HG   LYS 120          2HG       LYS 120 -12.539   5.282  -5.364
  819   1HD   LYS 120          1HD       LYS 120 -11.529   5.880  -3.469
  820   2HD   LYS 120          2HD       LYS 120 -10.764   4.299  -3.297
  821   1HE   LYS 120          1HE       LYS 120  -9.253   6.375  -3.549
  822   2HE   LYS 120          2HE       LYS 120  -8.876   4.941  -4.499
  823   1HZ   LYS 120          1HZ       LYS 120  -9.443   5.949  -6.432
  824   2HZ   LYS 120          2HZ       LYS 120  -8.997   7.341  -5.567
  825   3HZ   LYS 120          3HZ       LYS 120 -10.634   6.932  -5.721
  826    H    GLU 121           H        GLU 121 -10.856   0.985  -6.678
  827    HA   GLU 121           HA       GLU 121  -9.895   2.496  -9.015
  828   1HB   GLU 121          1HB       GLU 121  -8.566   2.019  -6.585
  829   2HB   GLU 121          2HB       GLU 121  -7.817   0.941  -7.755
  830   1HG   GLU 121          1HG       GLU 121  -6.806   3.254  -7.466
  831   2HG   GLU 121          2HG       GLU 121  -7.117   2.702  -9.113
  832    H    ASP 122           H        ASP 122  -7.778   0.498  -9.366
  833    HA   ASP 122           HA       ASP 122  -9.065  -1.989 -10.027
  834   1HB   ASP 122          1HB       ASP 122  -9.471  -0.158 -11.921
  835   2HB   ASP 122          2HB       ASP 122  -7.825  -0.592 -12.370
  836    H    SER 123           H        SER 123  -7.099  -2.894 -11.856
  837    HA   SER 123           HA       SER 123  -4.847  -3.223 -10.110
  838   1HB   SER 123          1HB       SER 123  -4.588  -4.017 -12.945
  839   2HB   SER 123          2HB       SER 123  -4.267  -4.944 -11.479
  840    HG   SER 123           HG       SER 123  -6.128  -5.617 -12.792
  841    H    ASP 124           H        ASP 124  -4.681  -0.728 -10.144
  842    HA   ASP 124           HA       ASP 124  -3.178   0.284 -12.438
  843   1HB   ASP 124          1HB       ASP 124  -5.110   1.535 -11.228
  844   2HB   ASP 124          2HB       ASP 124  -3.895   1.905 -10.008
  845    H    VAL 125           H        VAL 125  -1.552  -1.400 -11.621
  846    HA   VAL 125           HA       VAL 125   0.260  -0.112  -9.693
  847    HB   VAL 125           HB       VAL 125   0.991  -2.586  -9.259
  848   1HG1  VAL 125          1HG1      VAL 125  -1.205  -0.979  -8.099
  849   2HG1  VAL 125          2HG1      VAL 125  -1.084  -2.662  -7.582
  850   3HG1  VAL 125          3HG1      VAL 125   0.284  -1.573  -7.361
  851   1HG2  VAL 125          1HG2      VAL 125  -0.274  -4.217 -10.077
  852   2HG2  VAL 125          2HG2      VAL 125  -1.720  -3.502  -9.367
  853   3HG2  VAL 125          3HG2      VAL 125  -1.193  -3.010 -10.976
  854    H    LEU 126           H        LEU 126   0.552   0.454 -12.317
  855    HA   LEU 126           HA       LEU 126   2.423  -1.342 -13.568
  856   1HB   LEU 126          1HB       LEU 126   1.163   1.263 -14.242
  857   2HB   LEU 126          2HB       LEU 126   2.691   0.889 -15.015
  858    HG   LEU 126           HG       LEU 126   0.378  -1.028 -15.108
  859   1HD1  LEU 126          1HD1      LEU 126  -0.447  -0.054 -17.061
  860   2HD1  LEU 126          2HD1      LEU 126  -0.174   1.312 -15.979
  861   3HD1  LEU 126          3HD1      LEU 126   0.979   0.962 -17.268
  862   1HD2  LEU 126          1HD2      LEU 126   3.056  -0.818 -16.293
  863   2HD2  LEU 126          2HD2      LEU 126   2.062  -2.238 -15.971
  864   3HD2  LEU 126          3HD2      LEU 126   1.774  -1.271 -17.416
  865    H    THR 127           H        THR 127   4.643  -1.007 -13.838
  866    HA   THR 127           HA       THR 127   5.907   0.334 -11.645
  867    HB   THR 127           HB       THR 127   7.710  -0.556 -13.755
  868    HG1  THR 127           HG1      THR 127   6.219  -2.654 -12.564
  869   1HG2  THR 127          1HG2      THR 127   8.665  -0.364 -11.644
  870   2HG2  THR 127          2HG2      THR 127   8.359  -2.098 -11.757
  871   3HG2  THR 127          3HG2      THR 127   7.264  -1.068 -10.838
  872    H    LYS 128           H        LYS 128   4.658   2.315 -12.870
  873    HA   LYS 128           HA       LYS 128   6.846   3.835 -14.132
  874   1HB   LYS 128          1HB       LYS 128   5.180   5.109 -15.395
  875   2HB   LYS 128          2HB       LYS 128   5.070   3.397 -15.777
  876   1HG   LYS 128          1HG       LYS 128   2.965   3.259 -15.043
  877   2HG   LYS 128          2HG       LYS 128   3.303   4.219 -13.601
  878   1HD   LYS 128          1HD       LYS 128   3.426   5.842 -15.984
  879   2HD   LYS 128          2HD       LYS 128   1.873   5.016 -15.862
  880   1HE   LYS 128          1HE       LYS 128   1.218   6.264 -14.115
  881   2HE   LYS 128          2HE       LYS 128   2.797   6.152 -13.338
  882   1HZ   LYS 128          1HZ       LYS 128   2.319   7.918 -15.667
  883   2HZ   LYS 128          2HZ       LYS 128   3.599   7.964 -14.556
  884   3HZ   LYS 128          3HZ       LYS 128   2.043   8.432 -14.072
  885    H    CYS 129           H        CYS 129   6.166   3.466 -11.359
  886    HA   CYS 129           HA       CYS 129   5.373   6.206 -10.621
  887   1HB   CYS 129          1HB       CYS 129   4.173   3.708  -9.897
  888   2HB   CYS 129          2HB       CYS 129   4.876   4.431  -8.453
  889    HA   PRO 130           HA       PRO 130   9.418   5.337  -8.573
  890   1HB   PRO 130          1HB       PRO 130  11.047   6.872 -10.091
  891   2HB   PRO 130          2HB       PRO 130  10.625   5.216 -10.533
  892   1HG   PRO 130          1HG       PRO 130   9.797   7.733 -11.771
  893   2HG   PRO 130          2HG       PRO 130   9.715   6.087 -12.417
  894   1HD   PRO 130          1HD       PRO 130   7.615   7.673 -11.181
  895   2HD   PRO 130          2HD       PRO 130   7.488   6.104 -12.003
  896    H    VAL 131           H        VAL 131   7.247   7.427  -8.279
  897    HA   VAL 131           HA       VAL 131   8.877   9.489  -6.974
  898    HB   VAL 131           HB       VAL 131   8.041  10.524  -8.996
  899   1HG1  VAL 131          1HG1      VAL 131   5.187  10.315  -8.374
  900   2HG1  VAL 131          2HG1      VAL 131   6.029  10.186  -9.918
  901   3HG1  VAL 131          3HG1      VAL 131   5.949   8.794  -8.838
  902   1HG2  VAL 131          1HG2      VAL 131   7.281  12.445  -8.049
  903   2HG2  VAL 131          2HG2      VAL 131   6.089  11.615  -7.049
  904   3HG2  VAL 131          3HG2      VAL 131   7.788  11.611  -6.581
  Start of MODEL    8
    1   1H    ARG  14          1H        ARG  14 -11.499  -0.898 -10.625
    2    HA   ARG  14           HA       ARG  14 -12.376  -0.167  -7.943
    3   1HB   ARG  14          1HB       ARG  14 -13.649  -1.348 -10.354
    4   2HB   ARG  14          2HB       ARG  14 -14.308  -1.831  -8.798
    5   1HG   ARG  14          1HG       ARG  14 -14.469   0.648  -8.270
    6   2HG   ARG  14          2HG       ARG  14 -14.170   0.916  -9.988
    7   1HD   ARG  14          1HD       ARG  14 -16.148  -1.058  -9.864
    8   2HD   ARG  14          2HD       ARG  14 -16.595   0.138  -8.649
    9    HE   ARG  14           HE       ARG  14 -16.465   1.822 -10.456
   10   1HH1  ARG  14          1HH1      ARG  14 -16.840  -1.553 -11.312
   11   2HH1  ARG  14          2HH1      ARG  14 -17.628  -1.218 -12.828
   12   1HH2  ARG  14          1HH2      ARG  14 -17.497   2.282 -12.434
   13   2HH2  ARG  14          2HH2      ARG  14 -17.997   0.972 -13.474
   14    H    ILE  15           H        ILE  15 -10.590  -1.328  -6.928
   15    HA   ILE  15           HA       ILE  15 -10.990  -4.246  -6.912
   16    HB   ILE  15           HB       ILE  15  -8.489  -3.993  -5.912
   17   1HG1  ILE  15          1HG1      ILE  15  -7.774  -2.351  -8.102
   18   2HG1  ILE  15          2HG1      ILE  15  -9.031  -1.486  -7.226
   19   1HG2  ILE  15          1HG2      ILE  15  -8.156  -4.147  -8.706
   20   2HG2  ILE  15          2HG2      ILE  15  -8.251  -5.470  -7.545
   21   3HG2  ILE  15          3HG2      ILE  15  -9.717  -4.876  -8.328
   22   1HD1  ILE  15          1HD1      ILE  15  -6.486  -2.560  -6.031
   23   2HD1  ILE  15          2HD1      ILE  15  -6.801  -0.877  -6.455
   24   3HD1  ILE  15          3HD1      ILE  15  -7.733  -1.656  -5.177
   25    HA   PRO  16           HA       PRO  16 -11.741  -3.159  -2.525
   26   1HB   PRO  16          1HB       PRO  16 -13.781  -5.209  -2.599
   27   2HB   PRO  16          2HB       PRO  16 -13.977  -3.477  -2.313
   28   1HG   PRO  16          1HG       PRO  16 -14.894  -4.755  -4.548
   29   2HG   PRO  16          2HG       PRO  16 -14.450  -3.041  -4.509
   30   1HD   PRO  16          1HD       PRO  16 -12.878  -5.385  -5.517
   31   2HD   PRO  16          2HD       PRO  16 -13.045  -3.756  -6.209
   32    H    ASN  17           H        ASN  17 -11.633  -6.202  -4.265
   33    HA   ASN  17           HA       ASN  17 -10.805  -7.692  -1.919
   34   1HB   ASN  17          1HB       ASN  17 -10.723  -9.594  -3.699
   35   2HB   ASN  17          2HB       ASN  17 -12.283  -8.970  -3.182
   36   1HD2  ASN  17          1HD2      ASN  17 -10.162  -9.468  -5.799
   37   2HD2  ASN  17          2HD2      ASN  17 -11.133  -8.731  -7.022
   38    H    ILE  18           H        ILE  18  -8.829  -6.167  -1.931
   39    HA   ILE  18           HA       ILE  18  -6.630  -7.663  -3.129
   40    HB   ILE  18           HB       ILE  18  -7.090  -5.963  -4.820
   41   1HG1  ILE  18          1HG1      ILE  18  -4.606  -5.484  -3.163
   42   2HG1  ILE  18          2HG1      ILE  18  -4.771  -6.547  -4.556
   43   1HG2  ILE  18          1HG2      ILE  18  -7.300  -4.242  -2.448
   44   2HG2  ILE  18          2HG2      ILE  18  -6.431  -3.530  -3.810
   45   3HG2  ILE  18          3HG2      ILE  18  -8.083  -4.110  -4.026
   46   1HD1  ILE  18          1HD1      ILE  18  -3.855  -3.926  -4.534
   47   2HD1  ILE  18          2HD1      ILE  18  -4.256  -4.903  -5.947
   48   3HD1  ILE  18          3HD1      ILE  18  -5.469  -3.837  -5.238
   49    H    ALA  19           H        ALA  19  -5.079  -7.959  -1.706
   50    HA   ALA  19           HA       ALA  19  -4.144  -5.646  -0.211
   51   1HB   ALA  19          1HB       ALA  19  -4.863  -6.327   1.796
   52   2HB   ALA  19          2HB       ALA  19  -5.721  -7.656   1.018
   53   3HB   ALA  19          3HB       ALA  19  -4.062  -7.881   1.571
   54    H    THR  20           H        THR  20  -2.530  -6.127  -1.998
   55    HA   THR  20           HA       THR  20  -0.777  -8.363  -1.273
   56    HB   THR  20           HB       THR  20  -1.387  -7.977  -4.163
   57    HG1  THR  20           HG1      THR  20  -3.011  -9.454  -2.337
   58   1HG2  THR  20          1HG2      THR  20  -0.228 -10.019  -2.385
   59   2HG2  THR  20          2HG2      THR  20   0.126  -9.653  -4.074
   60   3HG2  THR  20          3HG2      THR  20  -1.274 -10.643  -3.662
   61    H    TYR  21           H        TYR  21   1.091  -7.417  -0.879
   62    HA   TYR  21           HA       TYR  21   2.403  -6.085  -3.123
   63   1HB   TYR  21          1HB       TYR  21   2.439  -5.005  -0.287
   64   2HB   TYR  21          2HB       TYR  21   3.445  -4.417  -1.602
   65    HD1  TYR  21           HD1      TYR  21  -0.039  -4.652  -0.372
   66    HD2  TYR  21           HD2      TYR  21   2.603  -2.851  -3.176
   67    HE1  TYR  21           HE1      TYR  21  -1.796  -3.047  -0.986
   68    HE2  TYR  21           HE2      TYR  21   0.852  -1.245  -3.794
   69    HH   TYR  21           HH       TYR  21  -2.091  -1.513  -3.493
   70    H    THR  22           H        THR  22   3.274  -8.244  -3.259
   71    HA   THR  22           HA       THR  22   5.339  -8.769  -1.232
   72    HB   THR  22           HB       THR  22   4.605 -11.204  -2.515
   73    HG1  THR  22           HG1      THR  22   2.376  -9.995  -1.209
   74   1HG2  THR  22          1HG2      THR  22   5.292 -11.701  -0.438
   75   2HG2  THR  22          2HG2      THR  22   3.642 -11.332   0.063
   76   3HG2  THR  22          3HG2      THR  22   4.891 -10.093   0.167
   77    H    GLY  23           H        GLY  23   7.327  -8.697  -2.081
   78   1HA   GLY  23          1HA       GLY  23   8.177 -10.105  -4.311
   79   2HA   GLY  23          2HA       GLY  23   7.743  -8.500  -4.885
   80    H    THR  24           H        THR  24  10.020  -8.500  -5.485
   81    HA   THR  24           HA       THR  24  11.748  -7.755  -3.220
   82    HB   THR  24           HB       THR  24  13.055  -8.376  -5.789
   83    HG1  THR  24           HG1      THR  24  11.271  -9.971  -5.525
   84   1HG2  THR  24          1HG2      THR  24  14.753  -9.188  -4.439
   85   2HG2  THR  24          2HG2      THR  24  13.646  -9.634  -3.140
   86   3HG2  THR  24          3HG2      THR  24  14.042  -7.938  -3.418
   87    H    ILE  25           H        ILE  25  11.960  -5.624  -3.089
   88    HA   ILE  25           HA       ILE  25  11.592  -3.968  -5.453
   89    HB   ILE  25           HB       ILE  25  10.445  -3.287  -3.420
   90   1HG1  ILE  25          1HG1      ILE  25  12.420  -1.124  -3.442
   91   2HG1  ILE  25          2HG1      ILE  25  11.926  -1.635  -5.053
   92   1HG2  ILE  25          1HG2      ILE  25  11.430  -2.858  -1.380
   93   2HG2  ILE  25          2HG2      ILE  25  12.342  -4.256  -1.952
   94   3HG2  ILE  25          3HG2      ILE  25  13.032  -2.638  -2.083
   95   1HD1  ILE  25          1HD1      ILE  25   9.910  -0.706  -4.847
   96   2HD1  ILE  25          2HD1      ILE  25   9.706  -1.286  -3.193
   97   3HD1  ILE  25          3HD1      ILE  25  10.627   0.185  -3.503
   98    H    GLN  26           H        GLN  26  13.143  -2.468  -6.195
   99    HA   GLN  26           HA       GLN  26  15.815  -3.457  -6.117
  100   1HB   GLN  26          1HB       GLN  26  14.454  -1.137  -7.438
  101   2HB   GLN  26          2HB       GLN  26  16.209  -1.235  -7.430
  102   1HG   GLN  26          1HG       GLN  26  14.624  -3.584  -8.341
  103   2HG   GLN  26          2HG       GLN  26  14.821  -2.201  -9.414
  104   1HE2  GLN  26          1HE2      GLN  26  16.176  -5.052  -8.302
  105   2HE2  GLN  26          2HE2      GLN  26  17.757  -4.873  -8.982
  106    H    GLY  27           H        GLY  27  17.701  -2.115  -5.619
  107   1HA   GLY  27          1HA       GLY  27  17.636  -1.208  -2.963
  108   2HA   GLY  27          2HA       GLY  27  18.959  -0.962  -4.092
  109    H    LYS  28           H        LYS  28  16.975   0.592  -2.100
  110    HA   LYS  28           HA       LYS  28  16.346   2.734  -1.761
  111   1HB   LYS  28          1HB       LYS  28  18.670   2.943  -3.568
  112   2HB   LYS  28          2HB       LYS  28  17.648   4.371  -3.488
  113   1HG   LYS  28          1HG       LYS  28  19.068   3.012  -1.210
  114   2HG   LYS  28          2HG       LYS  28  19.396   4.610  -1.888
  115   1HD   LYS  28          1HD       LYS  28  16.746   4.790  -1.232
  116   2HD   LYS  28          2HD       LYS  28  17.375   3.761   0.055
  117   1HE   LYS  28          1HE       LYS  28  18.991   6.133  -0.625
  118   2HE   LYS  28          2HE       LYS  28  17.429   6.452   0.126
  119   1HZ   LYS  28          1HZ       LYS  28  18.909   4.361   1.435
  120   2HZ   LYS  28          2HZ       LYS  28  18.158   5.732   2.092
  121   3HZ   LYS  28          3HZ       LYS  28  19.719   5.851   1.442
  122    H    GLY  29           H        GLY  29  14.923   1.099  -3.769
  123   1HA   GLY  29          1HA       GLY  29  14.071   3.091  -5.719
  124   2HA   GLY  29          2HA       GLY  29  13.623   1.392  -5.713
  125    H    GLU  30           H        GLU  30  11.814   3.433  -6.158
  126    HA   GLU  30           HA       GLU  30  10.052   3.107  -3.845
  127   1HB   GLU  30          1HB       GLU  30   9.236   5.528  -4.487
  128   2HB   GLU  30          2HB       GLU  30  10.606   5.306  -3.406
  129   1HG   GLU  30          1HG       GLU  30  12.043   5.485  -5.526
  130   2HG   GLU  30          2HG       GLU  30  10.593   6.155  -6.275
  131    H    VAL  31           H        VAL  31   8.181   2.270  -4.463
  132    HA   VAL  31           HA       VAL  31   7.352   2.623  -7.276
  133    HB   VAL  31           HB       VAL  31   6.276   0.439  -7.192
  134   1HG1  VAL  31          1HG1      VAL  31   8.689  -0.715  -6.335
  135   2HG1  VAL  31          2HG1      VAL  31   8.209  -0.310  -7.984
  136   3HG1  VAL  31          3HG1      VAL  31   9.106   0.859  -7.016
  137   1HG2  VAL  31          1HG2      VAL  31   5.598   0.073  -5.006
  138   2HG2  VAL  31          2HG2      VAL  31   6.945  -1.051  -5.181
  139   3HG2  VAL  31          3HG2      VAL  31   7.179   0.480  -4.338
  140    H    CYS  32           H        CYS  32   5.101   2.492  -7.682
  141    HA   CYS  32           HA       CYS  32   3.467   3.518  -5.464
  142   1HB   CYS  32          1HB       CYS  32   3.471   5.416  -6.722
  143   2HB   CYS  32          2HB       CYS  32   3.989   4.570  -8.173
  144    H    ILE  33           H        ILE  33   1.644   2.364  -5.090
  145    HA   ILE  33           HA       ILE  33   0.407   0.969  -7.349
  146    HB   ILE  33           HB       ILE  33   0.532  -0.374  -4.660
  147   1HG1  ILE  33          1HG1      ILE  33   2.837  -0.001  -5.918
  148   2HG1  ILE  33          2HG1      ILE  33   2.467  -1.527  -5.127
  149   1HG2  ILE  33          1HG2      ILE  33  -0.361  -1.149  -7.404
  150   2HG2  ILE  33          2HG2      ILE  33   0.117  -2.386  -6.239
  151   3HG2  ILE  33          3HG2      ILE  33  -1.210  -1.286  -5.864
  152   1HD1  ILE  33          1HD1      ILE  33   3.113  -1.020  -7.850
  153   2HD1  ILE  33          2HD1      ILE  33   2.855  -2.565  -7.035
  154   3HD1  ILE  33          3HD1      ILE  33   1.493  -1.714  -7.763
  155    H    ILE  34           H        ILE  34  -1.711   1.363  -7.434
  156    HA   ILE  34           HA       ILE  34  -2.889   2.990  -5.371
  157    HB   ILE  34           HB       ILE  34  -3.433   3.682  -7.557
  158   1HG1  ILE  34          1HG1      ILE  34  -6.037   2.498  -7.389
  159   2HG1  ILE  34          2HG1      ILE  34  -5.460   2.847  -5.761
  160   1HG2  ILE  34          1HG2      ILE  34  -3.648   2.364  -9.331
  161   2HG2  ILE  34          2HG2      ILE  34  -3.199   1.029  -8.269
  162   3HG2  ILE  34          3HG2      ILE  34  -4.899   1.392  -8.555
  163   1HD1  ILE  34          1HD1      ILE  34  -4.824   5.154  -6.967
  164   2HD1  ILE  34          2HD1      ILE  34  -6.213   4.676  -7.943
  165   3HD1  ILE  34          3HD1      ILE  34  -6.382   4.854  -6.196
  166    H    GLY  35           H        GLY  35  -3.619   2.079  -3.609
  167   1HA   GLY  35          1HA       GLY  35  -5.437  -0.209  -3.854
  168   2HA   GLY  35          2HA       GLY  35  -4.077  -0.322  -2.744
  169    H    ASN  36           H        ASN  36  -6.455   2.204  -3.533
  170    HA   ASN  36           HA       ASN  36  -6.797   2.628  -0.659
  171   1HB   ASN  36          1HB       ASN  36  -7.547   4.813  -1.121
  172   2HB   ASN  36          2HB       ASN  36  -6.208   4.553  -2.232
  173   1HD2  ASN  36          1HD2      ASN  36  -9.462   5.410  -1.912
  174   2HD2  ASN  36          2HD2      ASN  36  -9.865   5.460  -3.596
  175    H    LYS  37           H        LYS  37  -8.685   2.362   0.352
  176    HA   LYS  37           HA       LYS  37 -11.174   2.063  -1.045
  177   1HB   LYS  37          1HB       LYS  37  -9.796  -0.230  -1.002
  178   2HB   LYS  37          2HB       LYS  37 -10.486  -0.318   0.613
  179   1HG   LYS  37          1HG       LYS  37 -12.057  -1.446  -0.622
  180   2HG   LYS  37          2HG       LYS  37 -12.726   0.186  -0.612
  181   1HD   LYS  37          1HD       LYS  37 -11.256   0.392  -2.812
  182   2HD   LYS  37          2HD       LYS  37 -11.495  -1.357  -2.830
  183   1HE   LYS  37          1HE       LYS  37 -13.537  -1.078  -3.653
  184   2HE   LYS  37          2HE       LYS  37 -13.987  -0.134  -2.233
  185   1HZ   LYS  37          1HZ       LYS  37 -14.357   1.353  -3.918
  186   2HZ   LYS  37          2HZ       LYS  37 -13.063   0.793  -4.865
  187   3HZ   LYS  37          3HZ       LYS  37 -12.762   1.754  -3.501
  188    H    GLU  38           H        GLU  38 -12.917   2.356   0.337
  189    HA   GLU  38           HA       GLU  38 -12.267   3.377   2.954
  190   1HB   GLU  38          1HB       GLU  38 -15.105   3.042   2.504
  191   2HB   GLU  38          2HB       GLU  38 -14.183   4.518   2.749
  192   1HG   GLU  38          1HG       GLU  38 -14.746   5.032   0.663
  193   2HG   GLU  38          2HG       GLU  38 -13.552   3.833   0.167
  194    H    GLY  39           H        GLY  39 -13.248   2.582   4.924
  195   1HA   GLY  39          1HA       GLY  39 -13.224  -0.353   4.869
  196   2HA   GLY  39          2HA       GLY  39 -12.841   0.649   6.261
  197    H    LYS  40           H        LYS  40 -14.465  -1.337   6.760
  198    HA   LYS  40           HA       LYS  40 -17.188  -0.220   6.731
  199   1HB   LYS  40          1HB       LYS  40 -17.635  -2.745   7.479
  200   2HB   LYS  40          2HB       LYS  40 -17.530  -2.273   5.788
  201   1HG   LYS  40          1HG       LYS  40 -14.903  -2.838   6.649
  202   2HG   LYS  40          2HG       LYS  40 -15.938  -4.141   7.237
  203   1HD   LYS  40          1HD       LYS  40 -16.651  -3.472   4.538
  204   2HD   LYS  40          2HD       LYS  40 -14.917  -3.783   4.641
  205   1HE   LYS  40          1HE       LYS  40 -17.186  -5.607   5.389
  206   2HE   LYS  40          2HE       LYS  40 -15.928  -5.865   4.181
  207   1HZ   LYS  40          1HZ       LYS  40 -14.309  -6.146   5.877
  208   2HZ   LYS  40          2HZ       LYS  40 -15.632  -7.123   6.297
  209   3HZ   LYS  40          3HZ       LYS  40 -15.383  -5.648   7.091
  210    H    THR  41           H        THR  41 -14.825   0.231   8.580
  211    HA   THR  41           HA       THR  41 -16.347  -0.083  11.047
  212    HB   THR  41           HB       THR  41 -13.449  -0.512  11.396
  213    HG1  THR  41           HG1      THR  41 -15.065  -2.634  10.370
  214   1HG2  THR  41          1HG2      THR  41 -14.162  -1.396  13.321
  215   2HG2  THR  41          2HG2      THR  41 -15.271  -2.486  12.490
  216   3HG2  THR  41          3HG2      THR  41 -15.776  -0.843  12.880
  217    H    ARG  42           H        ARG  42 -13.209   0.853  11.787
  218    HA   ARG  42           HA       ARG  42 -13.394   3.599  11.006
  219   1HB   ARG  42          1HB       ARG  42 -15.046   3.165  13.025
  220   2HB   ARG  42          2HB       ARG  42 -13.566   3.280  13.968
  221   1HG   ARG  42          1HG       ARG  42 -14.804   5.415  13.785
  222   2HG   ARG  42          2HG       ARG  42 -13.153   5.498  13.167
  223   1HD   ARG  42          1HD       ARG  42 -13.937   6.254  11.231
  224   2HD   ARG  42          2HD       ARG  42 -14.805   4.735  11.009
  225    HE   ARG  42           HE       ARG  42 -15.906   7.196  12.203
  226   1HH1  ARG  42          1HH1      ARG  42 -16.352   4.050  10.714
  227   2HH1  ARG  42          2HH1      ARG  42 -18.075   4.225  10.585
  228   1HH2  ARG  42          1HH2      ARG  42 -18.161   7.419  12.031
  229   2HH2  ARG  42          2HH2      ARG  42 -19.108   6.127  11.352
  230    H    GLY  43           H        GLY  43 -11.455   4.518  11.024
  231   1HA   GLY  43          1HA       GLY  43  -9.462   4.091  12.985
  232   2HA   GLY  43          2HA       GLY  43  -9.113   3.108  11.567
  233    H    GLY  44           H        GLY  44  -9.990   4.793   9.537
  234   1HA   GLY  44          1HA       GLY  44  -9.478   7.340   9.261
  235   2HA   GLY  44          2HA       GLY  44  -7.854   6.799   9.657
  236    H    GLU  45           H        GLU  45  -6.838   7.171   7.769
  237    HA   GLU  45           HA       GLU  45  -8.124   6.389   5.276
  238   1HB   GLU  45          1HB       GLU  45  -6.113   7.651   4.301
  239   2HB   GLU  45          2HB       GLU  45  -7.329   8.580   5.168
  240   1HG   GLU  45          1HG       GLU  45  -5.136   7.609   6.844
  241   2HG   GLU  45          2HG       GLU  45  -4.643   8.732   5.578
  242    H    LEU  46           H        LEU  46  -7.814   4.081   5.455
  243    HA   LEU  46           HA       LEU  46  -6.983   2.420   4.110
  244   1HB   LEU  46          1HB       LEU  46  -4.740   4.369   3.733
  245   2HB   LEU  46          2HB       LEU  46  -4.642   2.733   3.119
  246    HG   LEU  46           HG       LEU  46  -6.732   3.187   1.796
  247   1HD1  LEU  46          1HD1      LEU  46  -6.245   6.088   2.070
  248   2HD1  LEU  46          2HD1      LEU  46  -7.747   5.212   1.769
  249   3HD1  LEU  46          3HD1      LEU  46  -7.087   5.294   3.406
  250   1HD2  LEU  46          1HD2      LEU  46  -4.104   3.710   1.251
  251   2HD2  LEU  46          2HD2      LEU  46  -5.418   3.742   0.073
  252   3HD2  LEU  46          3HD2      LEU  46  -4.886   5.238   0.841
  253    H    TYR  47           H        TYR  47  -6.400   0.552   4.946
  254    HA   TYR  47           HA       TYR  47  -4.409   0.472   7.093
  255   1HB   TYR  47          1HB       TYR  47  -6.441  -0.608   7.739
  256   2HB   TYR  47          2HB       TYR  47  -6.553  -1.472   6.215
  257    HD1  TYR  47           HD1      TYR  47  -5.646  -1.735   9.614
  258    HD2  TYR  47           HD2      TYR  47  -4.590  -3.211   5.766
  259    HE1  TYR  47           HE1      TYR  47  -4.585  -3.693  10.656
  260    HE2  TYR  47           HE2      TYR  47  -3.531  -5.169   6.800
  261    HH   TYR  47           HH       TYR  47  -4.092  -6.294   9.595
  262    H    ALA  48           H        ALA  48  -2.468  -0.468   6.838
  263    HA   ALA  48           HA       ALA  48  -2.053  -2.496   4.806
  264   1HB   ALA  48          1HB       ALA  48  -1.557  -0.674   3.406
  265   2HB   ALA  48          2HB       ALA  48  -0.694   0.180   4.685
  266   3HB   ALA  48          3HB       ALA  48   0.010  -1.265   3.961
  267    H    VAL  49           H        VAL  49  -0.714  -4.021   5.584
  268    HA   VAL  49           HA       VAL  49   1.061  -3.238   7.801
  269    HB   VAL  49           HB       VAL  49  -0.521  -4.817   8.635
  270   1HG1  VAL  49          1HG1      VAL  49  -0.216  -7.230   7.425
  271   2HG1  VAL  49          2HG1      VAL  49  -1.538  -6.105   7.113
  272   3HG1  VAL  49          3HG1      VAL  49  -0.130  -6.130   6.050
  273   1HG2  VAL  49          1HG2      VAL  49   1.990  -5.059   9.127
  274   2HG2  VAL  49          2HG2      VAL  49   0.909  -6.374   9.592
  275   3HG2  VAL  49          3HG2      VAL  49   1.891  -6.513   8.132
  276    H    LEU  50           H        LEU  50   2.956  -2.809   6.912
  277    HA   LEU  50           HA       LEU  50   3.965  -4.380   4.696
  278   1HB   LEU  50          1HB       LEU  50   4.252  -1.876   4.890
  279   2HB   LEU  50          2HB       LEU  50   5.367  -2.173   6.209
  280    HG   LEU  50           HG       LEU  50   6.426  -3.743   4.234
  281   1HD1  LEU  50          1HD1      LEU  50   6.547  -2.035   2.304
  282   2HD1  LEU  50          2HD1      LEU  50   5.138  -3.088   2.431
  283   3HD1  LEU  50          3HD1      LEU  50   5.041  -1.412   2.976
  284   1HD2  LEU  50          1HD2      LEU  50   7.835  -2.407   5.540
  285   2HD2  LEU  50          2HD2      LEU  50   8.008  -1.761   3.906
  286   3HD2  LEU  50          3HD2      LEU  50   6.998  -0.923   5.085
  287    H    HIS  51           H        HIS  51   4.788  -6.315   5.155
  288    HA   HIS  51           HA       HIS  51   6.450  -6.633   7.559
  289   1HB   HIS  51          1HB       HIS  51   5.305  -8.655   5.622
  290   2HB   HIS  51          2HB       HIS  51   6.434  -9.075   6.900
  291    HD1  HIS  51           HD1      HIS  51   5.474  -8.347   9.433
  292    HD2  HIS  51           HD2      HIS  51   2.739  -8.887   6.339
  293    HE1  HIS  51           HE1      HIS  51   3.261  -8.770  10.545
  294    HE2  HIS  51           HE2      HIS  51   1.672  -9.306   8.659
  295    H    SER  52           H        SER  52   8.408  -8.132   7.143
  296    HA   SER  52           HA       SER  52   9.718  -7.408   4.610
  297   1HB   SER  52          1HB       SER  52  11.727  -7.365   6.568
  298   2HB   SER  52          2HB       SER  52  11.046  -5.975   5.723
  299    HG   SER  52           HG       SER  52   9.550  -6.943   7.847
  300    H    THR  53           H        THR  53  10.140  -9.297   3.650
  301    HA   THR  53           HA       THR  53  10.886 -11.598   5.321
  302    HB   THR  53           HB       THR  53  10.474 -12.393   2.627
  303    HG1  THR  53           HG1      THR  53   9.064 -10.948   1.978
  304   1HG2  THR  53          1HG2      THR  53   8.712 -12.696   5.065
  305   2HG2  THR  53          2HG2      THR  53  10.050 -13.756   4.620
  306   3HG2  THR  53          3HG2      THR  53   8.616 -13.668   3.595
  307    H    ASN  54           H        ASN  54  12.982 -10.039   5.200
  308    HA   ASN  54           HA       ASN  54  14.910 -11.457   3.679
  309   1HB   ASN  54          1HB       ASN  54  15.321 -10.124   1.891
  310   2HB   ASN  54          2HB       ASN  54  13.659  -9.607   2.141
  311   1HD2  ASN  54          1HD2      ASN  54  13.287  -7.624   3.247
  312   2HD2  ASN  54          2HD2      ASN  54  14.505  -6.388   3.264
  313    H    VAL  55           H        VAL  55  17.104 -10.236   3.824
  314    HA   VAL  55           HA       VAL  55  17.666  -9.933   6.563
  315    HB   VAL  55           HB       VAL  55  19.407  -9.094   4.244
  316   1HG1  VAL  55          1HG1      VAL  55  19.860  -8.527   6.808
  317   2HG1  VAL  55          2HG1      VAL  55  20.506 -10.167   6.776
  318   3HG1  VAL  55          3HG1      VAL  55  21.154  -8.941   5.687
  319   1HG2  VAL  55          1HG2      VAL  55  19.832 -11.695   5.565
  320   2HG2  VAL  55          2HG2      VAL  55  18.396 -11.572   4.548
  321   3HG2  VAL  55          3HG2      VAL  55  19.989 -11.242   3.868
  322    H    ASN  56           H        ASN  56  18.132  -7.461   4.004
  323    HA   ASN  56           HA       ASN  56  18.199  -5.344   5.941
  324   1HB   ASN  56          1HB       ASN  56  17.841  -3.989   3.633
  325   2HB   ASN  56          2HB       ASN  56  19.406  -4.595   4.164
  326   1HD2  ASN  56          1HD2      ASN  56  17.068  -4.651   1.735
  327   2HD2  ASN  56          2HD2      ASN  56  17.754  -5.921   0.772
  328    H    ALA  57           H        ALA  57  16.308  -5.430   7.063
  329    HA   ALA  57           HA       ALA  57  13.782  -5.620   5.693
  330   1HB   ALA  57          1HB       ALA  57  14.483  -6.711   7.935
  331   2HB   ALA  57          2HB       ALA  57  14.028  -5.154   8.626
  332   3HB   ALA  57          3HB       ALA  57  12.839  -6.101   7.732
  333    H    ASP  58           H        ASP  58  15.743  -3.049   6.888
  334    HA   ASP  58           HA       ASP  58  13.707  -1.288   7.732
  335   1HB   ASP  58          1HB       ASP  58  16.215  -1.073   8.177
  336   2HB   ASP  58          2HB       ASP  58  16.328  -0.367   6.566
  337    H    MET  59           H        MET  59  12.065  -0.945   6.438
  338    HA   MET  59           HA       MET  59  12.572   0.250   3.805
  339   1HB   MET  59          1HB       MET  59  11.409  -2.265   4.289
  340   2HB   MET  59          2HB       MET  59  10.068  -1.197   3.902
  341   1HG   MET  59          1HG       MET  59  10.908  -0.727   1.774
  342   2HG   MET  59          2HG       MET  59  12.518  -1.310   2.182
  343   1HE   MET  59          1HE       MET  59  12.735  -4.582   2.425
  344   2HE   MET  59          2HE       MET  59  12.070  -3.611   3.739
  345   3HE   MET  59          3HE       MET  59  11.159  -4.981   3.106
  346    H    THR  60           H        THR  60  11.234   1.962   3.289
  347    HA   THR  60           HA       THR  60   9.469   2.860   5.466
  348    HB   THR  60           HB       THR  60   9.856   5.107   4.003
  349    HG1  THR  60           HG1      THR  60  11.417   3.786   2.704
  350   1HG2  THR  60          1HG2      THR  60  11.271   3.923   6.341
  351   2HG2  THR  60          2HG2      THR  60  10.225   5.339   6.257
  352   3HG2  THR  60          3HG2      THR  60  11.882   5.431   5.662
  353    H    LEU  61           H        LEU  61   7.426   2.262   4.942
  354    HA   LEU  61           HA       LEU  61   6.499   2.654   2.197
  355   1HB   LEU  61          1HB       LEU  61   5.775   0.595   3.125
  356   2HB   LEU  61          2HB       LEU  61   5.285   1.357   4.627
  357    HG   LEU  61           HG       LEU  61   3.549   2.613   3.176
  358   1HD1  LEU  61          1HD1      LEU  61   2.918   0.797   1.302
  359   2HD1  LEU  61          2HD1      LEU  61   3.900   2.226   0.981
  360   3HD1  LEU  61          3HD1      LEU  61   4.676   0.667   1.267
  361   1HD2  LEU  61          1HD2      LEU  61   3.284   0.614   4.823
  362   2HD2  LEU  61          2HD2      LEU  61   1.960   1.040   3.739
  363   3HD2  LEU  61          3HD2      LEU  61   3.013  -0.320   3.350
  364    H    ILE  62           H        ILE  62   5.458   4.462   1.609
  365    HA   ILE  62           HA       ILE  62   4.511   6.196   3.779
  366    HB   ILE  62           HB       ILE  62   6.188   6.791   1.588
  367   1HG1  ILE  62          1HG1      ILE  62   5.690   9.191   2.697
  368   2HG1  ILE  62          2HG1      ILE  62   5.011   8.146   3.942
  369   1HG2  ILE  62          1HG2      ILE  62   3.587   8.311   1.404
  370   2HG2  ILE  62          2HG2      ILE  62   5.071   8.678   0.524
  371   3HG2  ILE  62          3HG2      ILE  62   4.205   7.175   0.204
  372   1HD1  ILE  62          1HD1      ILE  62   7.735   8.798   3.425
  373   2HD1  ILE  62          2HD1      ILE  62   7.050   7.853   4.747
  374   3HD1  ILE  62          3HD1      ILE  62   7.511   7.060   3.240
  375    H    LEU  63           H        LEU  63   2.504   6.652   3.999
  376    HA   LEU  63           HA       LEU  63   0.574   5.860   1.958
  377   1HB   LEU  63          1HB       LEU  63  -0.246   5.158   3.997
  378   2HB   LEU  63          2HB       LEU  63   0.473   6.496   4.868
  379    HG   LEU  63           HG       LEU  63  -1.289   7.974   3.809
  380   1HD1  LEU  63          1HD1      LEU  63  -1.994   6.613   1.990
  381   2HD1  LEU  63          2HD1      LEU  63  -2.396   5.276   3.068
  382   3HD1  LEU  63          3HD1      LEU  63  -3.354   6.757   3.104
  383   1HD2  LEU  63          1HD2      LEU  63  -1.575   5.983   5.936
  384   2HD2  LEU  63          2HD2      LEU  63  -1.876   7.722   5.955
  385   3HD2  LEU  63          3HD2      LEU  63  -3.101   6.620   5.325
  386    H    LEU  64           H        LEU  64   0.282   7.335   0.398
  387    HA   LEU  64           HA       LEU  64   0.090  10.156   1.191
  388   1HB   LEU  64          1HB       LEU  64   1.874  10.770   0.010
  389   2HB   LEU  64          2HB       LEU  64   2.276   9.068  -0.096
  390    HG   LEU  64           HG       LEU  64   0.610   9.304  -2.222
  391   1HD1  LEU  64          1HD1      LEU  64   0.678  11.858  -1.658
  392   2HD1  LEU  64          2HD1      LEU  64   2.259  11.781  -2.436
  393   3HD1  LEU  64          3HD1      LEU  64   0.812  11.311  -3.329
  394   1HD2  LEU  64          1HD2      LEU  64   3.504  10.009  -2.478
  395   2HD2  LEU  64          2HD2      LEU  64   3.019   8.419  -1.889
  396   3HD2  LEU  64          3HD2      LEU  64   2.513   8.958  -3.489
  397    H    ARG  65           H        ARG  65  -1.184  11.472  -0.192
  398    HA   ARG  65           HA       ARG  65  -2.465  10.092  -2.426
  399   1HB   ARG  65          1HB       ARG  65  -4.617  11.279  -1.859
  400   2HB   ARG  65          2HB       ARG  65  -4.182   9.942  -0.804
  401   1HG   ARG  65          1HG       ARG  65  -4.358  11.267   0.954
  402   2HG   ARG  65          2HG       ARG  65  -3.083  12.305   0.310
  403   1HD   ARG  65          1HD       ARG  65  -4.624  13.702  -0.782
  404   2HD   ARG  65          2HD       ARG  65  -5.932  12.532  -0.618
  405    HE   ARG  65           HE       ARG  65  -6.269  13.225   1.572
  406   1HH1  ARG  65          1HH1      ARG  65  -3.471  14.836   0.198
  407   2HH1  ARG  65          2HH1      ARG  65  -3.389  16.037   1.455
  408   1HH2  ARG  65          1HH2      ARG  65  -6.145  14.781   3.227
  409   2HH2  ARG  65          2HH2      ARG  65  -4.904  15.997   3.181
  410    H    ASN  66           H        ASN  66  -1.524  11.146  -3.999
  411    HA   ASN  66           HA       ASN  66  -2.271  13.959  -4.298
  412   1HB   ASN  66          1HB       ASN  66  -0.095  14.572  -4.289
  413   2HB   ASN  66          2HB       ASN  66   0.441  12.897  -4.262
  414   1HD2  ASN  66          1HD2      ASN  66   0.845  11.842  -6.207
  415   2HD2  ASN  66          2HD2      ASN  66   1.114  12.705  -7.682
  416    H    VAL  67           H        VAL  67  -2.821  14.490  -6.491
  417    HA   VAL  67           HA       VAL  67  -2.352  12.572  -8.546
  418    HB   VAL  67           HB       VAL  67  -4.241  11.553  -7.281
  419   1HG1  VAL  67          1HG1      VAL  67  -5.969  13.746  -8.414
  420   2HG1  VAL  67          2HG1      VAL  67  -6.416  12.475  -7.275
  421   3HG1  VAL  67          3HG1      VAL  67  -5.340  13.776  -6.766
  422   1HG2  VAL  67          1HG2      VAL  67  -4.168  10.668  -9.377
  423   2HG2  VAL  67          2HG2      VAL  67  -5.761  11.421  -9.445
  424   3HG2  VAL  67          3HG2      VAL  67  -4.371  12.228 -10.174
  425    H    GLY  68           H        GLY  68  -1.753  15.268  -8.079
  426   1HA   GLY  68          1HA       GLY  68  -3.425  16.679 -10.052
  427   2HA   GLY  68          2HA       GLY  68  -2.419  17.460  -8.841
  428    H    GLY  69           H        GLY  69  -0.841  14.813 -10.169
  429   1HA   GLY  69          1HA       GLY  69   0.664  14.554 -11.917
  430   2HA   GLY  69          2HA       GLY  69   0.171  16.125 -12.527
  431    H    ASN  70           H        ASN  70   1.661  14.989  -9.501
  432    HA   ASN  70           HA       ASN  70   3.947  16.735 -10.063
  433   1HB   ASN  70          1HB       ASN  70   2.029  17.628  -8.385
  434   2HB   ASN  70          2HB       ASN  70   3.022  16.725  -7.246
  435   1HD2  ASN  70          1HD2      ASN  70   4.959  17.531  -6.623
  436   2HD2  ASN  70          2HD2      ASN  70   5.598  19.049  -7.161
  437    H    GLY  71           H        GLY  71   3.403  13.805 -10.036
  438   1HA   GLY  71          1HA       GLY  71   4.986  12.102  -9.707
  439   2HA   GLY  71          2HA       GLY  71   5.787  13.105  -8.504
  440    H    TRP  72           H        TRP  72   5.829  11.887  -6.727
  441    HA   TRP  72           HA       TRP  72   3.267  11.376  -5.427
  442   1HB   TRP  72          1HB       TRP  72   5.393   9.257  -5.823
  443   2HB   TRP  72          2HB       TRP  72   4.110   9.129  -4.629
  444    HD1  TRP  72           HD1      TRP  72   4.925   8.076  -7.999
  445    HE1  TRP  72           HE1      TRP  72   2.842   7.309  -9.292
  446    HE3  TRP  72           HE3      TRP  72   1.268   9.957  -4.935
  447    HZ2  TRP  72           HZ2      TRP  72   0.046   7.456  -9.056
  448    HZ3  TRP  72           HZ3      TRP  72  -1.072   9.584  -5.542
  449    HH2  TRP  72           HH2      TRP  72  -1.677   8.362  -7.558
  450    H    GLY  73           H        GLY  73   3.551  12.732  -3.727
  451   1HA   GLY  73          1HA       GLY  73   6.216  13.121  -2.618
  452   2HA   GLY  73          2HA       GLY  73   4.777  14.051  -2.233
  453    H    GLU  74           H        GLU  74   6.932  12.418  -0.701
  454    HA   GLU  74           HA       GLU  74   5.582  10.321   0.623
  455   1HB   GLU  74          1HB       GLU  74   8.070  11.894   1.116
  456   2HB   GLU  74          2HB       GLU  74   7.444  10.874   2.405
  457   1HG   GLU  74          1HG       GLU  74   8.844   9.400   1.399
  458   2HG   GLU  74          2HG       GLU  74   7.375   9.072   0.481
  459    H    ILE  75           H        ILE  75   3.887  10.497   1.928
  460    HA   ILE  75           HA       ILE  75   3.506  12.986   3.432
  461    HB   ILE  75           HB       ILE  75   1.531  10.845   2.633
  462   1HG1  ILE  75          1HG1      ILE  75   2.096  12.349   0.824
  463   2HG1  ILE  75          2HG1      ILE  75   0.476  12.732   1.399
  464   1HG2  ILE  75          1HG2      ILE  75   0.103  13.012   3.640
  465   2HG2  ILE  75          2HG2      ILE  75   0.284  11.421   4.382
  466   3HG2  ILE  75          3HG2      ILE  75   1.388  12.729   4.817
  467   1HD1  ILE  75          1HD1      ILE  75   1.136  14.736   2.323
  468   2HD1  ILE  75          2HD1      ILE  75   2.825  14.241   2.457
  469   3HD1  ILE  75          3HD1      ILE  75   2.144  14.639   0.880
  470    H    LYS  76           H        LYS  76   2.204   9.753   4.174
  471    HA   LYS  76           HA       LYS  76   3.176  10.143   6.915
  472   1HB   LYS  76          1HB       LYS  76   0.676   9.533   6.050
  473   2HB   LYS  76          2HB       LYS  76   1.315   7.923   6.361
  474   1HG   LYS  76          1HG       LYS  76   1.899   9.815   8.489
  475   2HG   LYS  76          2HG       LYS  76   0.173   9.581   8.213
  476   1HD   LYS  76          1HD       LYS  76   0.234   7.386   8.846
  477   2HD   LYS  76          2HD       LYS  76   1.905   7.172   8.322
  478   1HE   LYS  76          1HE       LYS  76   1.732   7.072  10.754
  479   2HE   LYS  76          2HE       LYS  76   2.683   8.466  10.240
  480   1HZ   LYS  76          1HZ       LYS  76   1.122   9.920  10.961
  481   2HZ   LYS  76          2HZ       LYS  76   0.770   8.652  12.032
  482   3HZ   LYS  76          3HZ       LYS  76  -0.179   8.879  10.645
  483    H    ARG  77           H        ARG  77   4.814   8.986   7.659
  484    HA   ARG  77           HA       ARG  77   5.862   6.830   6.017
  485   1HB   ARG  77          1HB       ARG  77   7.319   8.623   7.011
  486   2HB   ARG  77          2HB       ARG  77   6.992   7.926   8.591
  487   1HG   ARG  77          1HG       ARG  77   7.842   5.725   7.404
  488   2HG   ARG  77          2HG       ARG  77   8.667   6.894   6.372
  489   1HD   ARG  77          1HD       ARG  77   8.860   7.378   9.275
  490   2HD   ARG  77          2HD       ARG  77   9.685   5.937   8.680
  491    HE   ARG  77           HE       ARG  77  10.169   8.581   7.470
  492   1HH1  ARG  77          1HH1      ARG  77  11.345   5.680   9.058
  493   2HH1  ARG  77          2HH1      ARG  77  13.027   6.069   8.806
  494   1HH2  ARG  77          1HH2      ARG  77  12.376   9.099   7.136
  495   2HH2  ARG  77          2HH2      ARG  77  13.603   8.004   7.704
  496    H    ASN  78           H        ASN  78   5.397   4.807   6.327
  497    HA   ASN  78           HA       ASN  78   4.699   3.853   9.020
  498   1HB   ASN  78          1HB       ASN  78   2.953   3.073   7.754
  499   2HB   ASN  78          2HB       ASN  78   3.896   3.051   6.270
  500   1HD2  ASN  78          1HD2      ASN  78   2.787   1.262   8.973
  501   2HD2  ASN  78          2HD2      ASN  78   3.440  -0.271   8.512
  502    H    ASP  79           H        ASP  79   6.035   2.446  10.035
  503    HA   ASP  79           HA       ASP  79   8.568   1.854   8.734
  504   1HB   ASP  79          1HB       ASP  79   9.196   0.970  11.039
  505   2HB   ASP  79          2HB       ASP  79   8.889   2.699  10.919
  506    H    ILE  80           H        ILE  80   9.478  -0.419   9.564
  507    HA   ILE  80           HA       ILE  80   7.870  -2.194   7.974
  508    HB   ILE  80           HB       ILE  80  10.092  -3.602   9.035
  509   1HG1  ILE  80          1HG1      ILE  80  11.658  -1.762   7.712
  510   2HG1  ILE  80          2HG1      ILE  80  10.583  -0.731   8.649
  511   1HG2  ILE  80          1HG2      ILE  80   9.841  -4.304   6.946
  512   2HG2  ILE  80          2HG2      ILE  80   8.878  -2.885   6.530
  513   3HG2  ILE  80          3HG2      ILE  80  10.635  -2.822   6.411
  514   1HD1  ILE  80          1HD1      ILE  80  12.681  -1.240   9.813
  515   2HD1  ILE  80          2HD1      ILE  80  11.266  -1.822  10.691
  516   3HD1  ILE  80          3HD1      ILE  80  12.267  -2.954   9.780
  517    H    ASP  81           H        ASP  81   7.280  -4.279   8.488
  518    HA   ASP  81           HA       ASP  81   6.083  -5.781   9.655
  519   1HB   ASP  81          1HB       ASP  81   8.477  -5.876  10.802
  520   2HB   ASP  81          2HB       ASP  81   7.568  -5.266  12.185
  521    H    LYS  82           H        LYS  82   5.113  -3.169   9.518
  522    HA   LYS  82           HA       LYS  82   3.650  -2.990  12.070
  523   1HB   LYS  82          1HB       LYS  82   5.132  -1.147  12.161
  524   2HB   LYS  82          2HB       LYS  82   4.892  -0.768  10.463
  525   1HG   LYS  82          1HG       LYS  82   2.620  -0.037  10.923
  526   2HG   LYS  82          2HG       LYS  82   2.815  -0.461  12.622
  527   1HD   LYS  82          1HD       LYS  82   4.952   1.260  11.773
  528   2HD   LYS  82          2HD       LYS  82   3.393   1.992  11.395
  529   1HE   LYS  82          1HE       LYS  82   3.271   2.634  13.519
  530   2HE   LYS  82          2HE       LYS  82   3.084   0.934  13.951
  531   1HZ   LYS  82          1HZ       LYS  82   5.773   2.080  13.562
  532   2HZ   LYS  82          2HZ       LYS  82   5.306   0.737  14.483
  533   3HZ   LYS  82          3HZ       LYS  82   4.955   2.303  15.035
  534    HA   PRO  83           HA       PRO  83   0.174  -2.817   9.249
  535   1HB   PRO  83          1HB       PRO  83  -1.606  -3.305  11.373
  536   2HB   PRO  83          2HB       PRO  83  -0.952  -4.507  10.261
  537   1HG   PRO  83          1HG       PRO  83  -0.428  -4.305  13.016
  538   2HG   PRO  83          2HG       PRO  83   0.418  -5.334  11.852
  539   1HD   PRO  83          1HD       PRO  83   1.223  -2.711  13.001
  540   2HD   PRO  83          2HD       PRO  83   2.233  -4.060  12.437
  541    H    LEU  84           H        LEU  84  -0.041  -0.690   8.751
  542    HA   LEU  84           HA       LEU  84  -0.753   1.287  10.727
  543   1HB   LEU  84          1HB       LEU  84   0.171   1.286   8.028
  544   2HB   LEU  84          2HB       LEU  84  -1.350   2.155   8.071
  545    HG   LEU  84           HG       LEU  84   1.173   2.805   9.586
  546   1HD1  LEU  84          1HD1      LEU  84   1.554   4.196   7.904
  547   2HD1  LEU  84          2HD1      LEU  84   0.098   3.617   7.093
  548   3HD1  LEU  84          3HD1      LEU  84   0.006   4.987   8.197
  549   1HD2  LEU  84          1HD2      LEU  84  -0.014   4.610  10.651
  550   2HD2  LEU  84          2HD2      LEU  84  -1.505   4.171   9.816
  551   3HD2  LEU  84          3HD2      LEU  84  -0.822   3.088  11.029
  552    H    LYS  85           H        LYS  85  -2.734   1.182  11.605
  553    HA   LYS  85           HA       LYS  85  -4.837  -0.034   9.996
  554   1HB   LYS  85          1HB       LYS  85  -4.715   0.582  12.957
  555   2HB   LYS  85          2HB       LYS  85  -6.094  -0.159  12.155
  556   1HG   LYS  85          1HG       LYS  85  -5.027  -2.157  11.860
  557   2HG   LYS  85          2HG       LYS  85  -3.419  -1.427  11.861
  558   1HD   LYS  85          1HD       LYS  85  -3.361  -1.274  14.185
  559   2HD   LYS  85          2HD       LYS  85  -5.116  -1.405  14.333
  560   1HE   LYS  85          1HE       LYS  85  -4.943  -3.753  13.529
  561   2HE   LYS  85          2HE       LYS  85  -3.188  -3.593  13.561
  562   1HZ   LYS  85          1HZ       LYS  85  -3.364  -3.089  15.952
  563   2HZ   LYS  85          2HZ       LYS  85  -3.920  -4.642  15.567
  564   3HZ   LYS  85          3HZ       LYS  85  -5.031  -3.399  15.883
  565    H    TYR  86           H        TYR  86  -5.815   1.330   8.756
  566    HA   TYR  86           HA       TYR  86  -7.150   3.625   9.973
  567   1HB   TYR  86          1HB       TYR  86  -5.296   3.608   7.633
  568   2HB   TYR  86          2HB       TYR  86  -6.629   4.750   7.672
  569    HD1  TYR  86           HD1      TYR  86  -6.450   5.104  10.782
  570    HD2  TYR  86           HD2      TYR  86  -3.602   5.320   7.629
  571    HE1  TYR  86           HE1      TYR  86  -5.091   6.652  12.122
  572    HE2  TYR  86           HE2      TYR  86  -2.238   6.866   8.961
  573    HH   TYR  86           HH       TYR  86  -3.213   7.830  12.243
  574    H    GLU  87           H        GLU  87  -9.180   2.714   9.869
  575    HA   GLU  87           HA       GLU  87 -10.047   1.716   7.245
  576   1HB   GLU  87          1HB       GLU  87 -11.498   1.334   9.860
  577   2HB   GLU  87          2HB       GLU  87 -11.761   0.479   8.347
  578   1HG   GLU  87          1HG       GLU  87 -10.179  -1.020   8.791
  579   2HG   GLU  87          2HG       GLU  87  -9.043   0.210   9.345
  580    H    ASP  88           H        ASP  88 -11.466   2.804   6.103
  581    HA   ASP  88           HA       ASP  88 -13.184   4.132   5.478
  582   1HB   ASP  88          1HB       ASP  88 -14.480   3.159   7.306
  583   2HB   ASP  88          2HB       ASP  88 -13.802   4.334   8.431
  584    H    TYR  89           H        TYR  89 -12.316   5.855   4.566
  585    HA   TYR  89           HA       TYR  89 -11.524   8.088   6.297
  586   1HB   TYR  89          1HB       TYR  89 -10.479   9.017   4.176
  587   2HB   TYR  89          2HB       TYR  89  -9.714   7.586   4.852
  588    HD1  TYR  89           HD1      TYR  89 -11.763   8.878   2.080
  589    HD2  TYR  89           HD2      TYR  89  -9.717   5.500   3.660
  590    HE1  TYR  89           HE1      TYR  89 -11.935   7.761  -0.101
  591    HE2  TYR  89           HE2      TYR  89  -9.891   4.373   1.484
  592    HH   TYR  89           HH       TYR  89 -11.884   5.557  -1.049
  593    H    TYR  90           H        TYR  90 -14.228   7.181   5.510
  594    HA   TYR  90           HA       TYR  90 -16.236   8.157   5.204
  595   1HB   TYR  90          1HB       TYR  90 -14.780  10.795   4.966
  596   2HB   TYR  90          2HB       TYR  90 -16.478  10.549   5.367
  597    HD1  TYR  90           HD1      TYR  90 -13.417  11.366   6.725
  598    HD2  TYR  90           HD2      TYR  90 -16.750   8.830   7.468
  599    HE1  TYR  90           HE1      TYR  90 -12.826  11.298   9.112
  600    HE2  TYR  90           HE2      TYR  90 -16.170   8.754   9.854
  601    HH   TYR  90           HH       TYR  90 -13.184   9.817  11.066
  602    H    THR  91           H        THR  91 -17.120  10.203   3.557
  603    HA   THR  91           HA       THR  91 -16.912   8.828   1.029
  604    HB   THR  91           HB       THR  91 -18.481  11.215   0.847
  605    HG1  THR  91           HG1      THR  91 -19.074   9.573   3.118
  606   1HG2  THR  91          1HG2      THR  91 -19.778   8.582   1.250
  607   2HG2  THR  91          2HG2      THR  91 -18.645   8.711  -0.096
  608   3HG2  THR  91          3HG2      THR  91 -20.035   9.793  -0.004
  609    H    SER  92           H        SER  92 -14.706  10.636   2.173
  610    HA   SER  92           HA       SER  92 -14.498  12.920   0.533
  611   1HB   SER  92          1HB       SER  92 -12.022  11.610   1.528
  612   2HB   SER  92          2HB       SER  92 -12.534  13.296   1.650
  613    HG   SER  92           HG       SER  92 -12.914  11.213   3.403
  614    H    GLY  93           H        GLY  93 -13.621   9.571   0.068
  615   1HA   GLY  93          1HA       GLY  93 -12.954   8.433  -1.809
  616   2HA   GLY  93          2HA       GLY  93 -13.441   9.846  -2.734
  617    H    LEU  94           H        LEU  94 -11.915  10.871  -3.793
  618    HA   LEU  94           HA       LEU  94  -9.917  11.647  -4.518
  619   1HB   LEU  94          1HB       LEU  94  -9.536  11.446  -1.626
  620   2HB   LEU  94          2HB       LEU  94  -8.042  11.314  -2.533
  621    HG   LEU  94           HG       LEU  94  -9.532  13.509  -3.582
  622   1HD1  LEU  94          1HD1      LEU  94 -10.581  14.354  -1.819
  623   2HD1  LEU  94          2HD1      LEU  94  -9.896  13.128  -0.751
  624   3HD1  LEU  94          3HD1      LEU  94  -9.004  14.615  -1.074
  625   1HD2  LEU  94          1HD2      LEU  94  -7.220  13.513  -3.843
  626   2HD2  LEU  94          2HD2      LEU  94  -7.494  14.730  -2.597
  627   3HD2  LEU  94          3HD2      LEU  94  -6.929  13.120  -2.148
  628    H    SER  95           H        SER  95  -7.417  10.926  -4.531
  629    HA   SER  95           HA       SER  95  -7.422   8.025  -5.015
  630   1HB   SER  95          1HB       SER  95  -5.580   9.968  -6.399
  631   2HB   SER  95          2HB       SER  95  -6.030   8.337  -6.895
  632    HG   SER  95           HG       SER  95  -8.259   9.315  -7.027
  633    H    TRP  96           H        TRP  96  -6.146   6.912  -3.709
  634    HA   TRP  96           HA       TRP  96  -3.956   8.327  -2.342
  635   1HB   TRP  96          1HB       TRP  96  -5.462   5.906  -1.330
  636   2HB   TRP  96          2HB       TRP  96  -4.261   6.843  -0.452
  637    HD1  TRP  96           HD1      TRP  96  -7.768   7.467  -2.022
  638    HE1  TRP  96           HE1      TRP  96  -9.046   9.076  -0.475
  639    HE3  TRP  96           HE3      TRP  96  -4.115   8.301   1.450
  640    HZ2  TRP  96           HZ2      TRP  96  -8.561  10.506   1.912
  641    HZ3  TRP  96           HZ3      TRP  96  -4.603   9.801   3.337
  642    HH2  TRP  96           HH2      TRP  96  -6.778  10.875   3.559
  643    H    ILE  97           H        ILE  97  -2.140   6.915  -1.706
  644    HA   ILE  97           HA       ILE  97  -1.779   4.583  -3.416
  645    HB   ILE  97           HB       ILE  97  -0.940   6.982  -4.347
  646   1HG1  ILE  97          1HG1      ILE  97   0.791   5.554  -5.643
  647   2HG1  ILE  97          2HG1      ILE  97   0.092   4.206  -4.749
  648   1HG2  ILE  97          1HG2      ILE  97   0.667   7.464  -2.698
  649   2HG2  ILE  97          2HG2      ILE  97   1.348   5.839  -2.779
  650   3HG2  ILE  97          3HG2      ILE  97   1.563   6.954  -4.128
  651   1HD1  ILE  97          1HD1      ILE  97  -1.080   4.253  -6.763
  652   2HD1  ILE  97          2HD1      ILE  97  -2.157   5.033  -5.604
  653   3HD1  ILE  97          3HD1      ILE  97  -1.227   6.011  -6.735
  654    H    TRP  98           H        TRP  98  -0.260   3.119  -2.679
  655    HA   TRP  98           HA       TRP  98   1.027   3.719  -0.110
  656   1HB   TRP  98          1HB       TRP  98   0.628   1.094  -1.568
  657   2HB   TRP  98          2HB       TRP  98   1.509   1.264  -0.058
  658    HD1  TRP  98           HD1      TRP  98  -1.786   0.371  -1.313
  659    HE1  TRP  98           HE1      TRP  98  -3.546   0.402   0.561
  660    HE3  TRP  98           HE3      TRP  98   0.841   2.968   2.240
  661    HZ2  TRP  98           HZ2      TRP  98  -3.792   1.389   3.188
  662    HZ3  TRP  98           HZ3      TRP  98  -0.244   3.418   4.406
  663    HH2  TRP  98           HH2      TRP  98  -2.513   2.629   4.885
  664    H    LYS  99           H        LYS  99   2.924   4.738  -0.515
  665    HA   LYS  99           HA       LYS  99   4.468   3.963  -2.873
  666   1HB   LYS  99          1HB       LYS  99   3.912   6.413  -1.892
  667   2HB   LYS  99          2HB       LYS  99   5.449   6.113  -1.096
  668   1HG   LYS  99          1HG       LYS  99   6.148   5.421  -3.565
  669   2HG   LYS  99          2HG       LYS  99   4.847   6.546  -3.957
  670   1HD   LYS  99          1HD       LYS  99   5.924   8.277  -2.617
  671   2HD   LYS  99          2HD       LYS  99   7.216   7.153  -2.191
  672   1HE   LYS  99          1HE       LYS  99   7.885   6.999  -4.513
  673   2HE   LYS  99          2HE       LYS  99   6.545   8.037  -4.994
  674   1HZ   LYS  99          1HZ       LYS  99   8.313   9.140  -2.975
  675   2HZ   LYS  99          2HZ       LYS  99   7.626   9.877  -4.340
  676   3HZ   LYS  99          3HZ       LYS  99   9.016   8.914  -4.504
  677    H    ILE 100           H        ILE 100   5.669   2.225  -2.512
  678    HA   ILE 100           HA       ILE 100   6.965   1.771   0.039
  679    HB   ILE 100           HB       ILE 100   7.299   0.184  -2.506
  680   1HG1  ILE 100          1HG1      ILE 100   5.402  -0.384  -0.218
  681   2HG1  ILE 100          2HG1      ILE 100   4.911   0.378  -1.727
  682   1HG2  ILE 100          1HG2      ILE 100   8.022  -0.277   0.367
  683   2HG2  ILE 100          2HG2      ILE 100   7.776  -1.631  -0.737
  684   3HG2  ILE 100          3HG2      ILE 100   9.027  -0.432  -1.075
  685   1HD1  ILE 100          1HD1      ILE 100   6.318  -1.994  -2.363
  686   2HD1  ILE 100          2HD1      ILE 100   5.124  -2.376  -1.123
  687   3HD1  ILE 100          3HD1      ILE 100   4.619  -1.613  -2.631
  688    H    LYS 101           H        LYS 101   8.496   3.267   0.373
  689    HA   LYS 101           HA       LYS 101  10.625   3.577  -1.613
  690   1HB   LYS 101          1HB       LYS 101   9.627   5.170   0.660
  691   2HB   LYS 101          2HB       LYS 101  11.378   5.098   0.526
  692   1HG   LYS 101          1HG       LYS 101  10.057   5.647  -2.008
  693   2HG   LYS 101          2HG       LYS 101   9.761   6.870  -0.769
  694   1HD   LYS 101          1HD       LYS 101  12.522   6.081  -0.743
  695   2HD   LYS 101          2HD       LYS 101  12.047   6.558  -2.373
  696   1HE   LYS 101          1HE       LYS 101  11.189   8.294  -0.124
  697   2HE   LYS 101          2HE       LYS 101  12.895   8.313  -0.565
  698   1HZ   LYS 101          1HZ       LYS 101  11.776   8.524  -2.962
  699   2HZ   LYS 101          2HZ       LYS 101  12.190   9.866  -2.012
  700   3HZ   LYS 101          3HZ       LYS 101  10.588   9.303  -2.028
  701    H    ASN 102           H        ASN 102  12.052   1.966  -1.510
  702    HA   ASN 102           HA       ASN 102  12.554   0.607   0.983
  703   1HB   ASN 102          1HB       ASN 102  12.444  -0.789  -0.916
  704   2HB   ASN 102          2HB       ASN 102  13.551   0.234  -1.835
  705   1HD2  ASN 102          1HD2      ASN 102  15.066  -1.291  -2.281
  706   2HD2  ASN 102          2HD2      ASN 102  16.044  -2.050  -1.071
  707    H    ASN 103           H        ASN 103  14.135   1.006   2.352
  708    HA   ASN 103           HA       ASN 103  15.782   3.319   1.976
  709   1HB   ASN 103          1HB       ASN 103  15.144   3.190   4.179
  710   2HB   ASN 103          2HB       ASN 103  15.159   1.429   4.187
  711   1HD2  ASN 103          1HD2      ASN 103  16.841   0.401   5.029
  712   2HD2  ASN 103          2HD2      ASN 103  18.309   1.158   5.557
  713    H    SER 104           H        SER 104  16.298  -0.159   2.184
  714    HA   SER 104           HA       SER 104  19.111  -0.089   2.226
  715   1HB   SER 104          1HB       SER 104  18.103  -2.477   0.966
  716   2HB   SER 104          2HB       SER 104  18.826  -2.284   2.564
  717    HG   SER 104           HG       SER 104  16.114  -2.186   1.797
  718    H    SER 105           H        SER 105  20.584   0.103   0.648
  719    HA   SER 105           HA       SER 105  19.719   0.802  -1.993
  720   1HB   SER 105          1HB       SER 105  22.591   0.335  -1.570
  721   2HB   SER 105          2HB       SER 105  21.755   1.773  -2.162
  722    HG   SER 105           HG       SER 105  22.091   2.569  -0.251
  723    H    GLU 106           H        GLU 106  19.792  -2.083  -0.649
  724    HA   GLU 106           HA       GLU 106  20.707  -3.424  -3.103
  725   1HB   GLU 106          1HB       GLU 106  21.288  -3.962  -0.319
  726   2HB   GLU 106          2HB       GLU 106  20.540  -5.355  -1.086
  727   1HG   GLU 106          1HG       GLU 106  23.147  -4.046  -1.664
  728   2HG   GLU 106          2HG       GLU 106  22.762  -5.756  -1.471
  729    H    THR 107           H        THR 107  19.587  -5.701  -3.245
  730    HA   THR 107           HA       THR 107  16.847  -5.280  -3.696
  731    HB   THR 107           HB       THR 107  17.336  -8.072  -3.344
  732    HG1  THR 107           HG1      THR 107  19.303  -6.844  -5.000
  733   1HG2  THR 107          1HG2      THR 107  15.820  -7.059  -4.987
  734   2HG2  THR 107          2HG2      THR 107  16.992  -8.127  -5.761
  735   3HG2  THR 107          3HG2      THR 107  17.205  -6.378  -5.842
  736    H    SER 108           H        SER 108  15.164  -5.304  -2.358
  737    HA   SER 108           HA       SER 108  15.446  -6.727   0.202
  738   1HB   SER 108          1HB       SER 108  13.810  -4.222  -0.023
  739   2HB   SER 108          2HB       SER 108  14.556  -4.940   1.406
  740    HG   SER 108           HG       SER 108  16.279  -4.159  -0.630
  741    H    ASN 109           H        ASN 109  13.733  -7.933   0.859
  742    HA   ASN 109           HA       ASN 109  11.523  -8.200  -1.042
  743   1HB   ASN 109          1HB       ASN 109  12.874 -10.218  -0.432
  744   2HB   ASN 109          2HB       ASN 109  12.295 -10.052   1.221
  745   1HD2  ASN 109          1HD2      ASN 109  11.803 -11.554  -1.663
  746   2HD2  ASN 109          2HD2      ASN 109  10.157 -12.048  -1.448
  747    H    TYR 110           H        TYR 110   9.532  -7.571  -0.542
  748    HA   TYR 110           HA       TYR 110   8.974  -6.846   2.252
  749   1HB   TYR 110          1HB       TYR 110   7.565  -5.009   1.411
  750   2HB   TYR 110          2HB       TYR 110   9.244  -4.829   0.922
  751    HD1  TYR 110           HD1      TYR 110   5.840  -5.073  -0.169
  752    HD2  TYR 110           HD2      TYR 110   9.870  -5.435  -1.481
  753    HE1  TYR 110           HE1      TYR 110   5.097  -4.836  -2.495
  754    HE2  TYR 110           HE2      TYR 110   9.136  -5.203  -3.816
  755    HH   TYR 110           HH       TYR 110   6.154  -5.656  -4.867
  756    H    SER 111           H        SER 111   7.012  -7.386   3.099
  757    HA   SER 111           HA       SER 111   5.146  -8.840   1.342
  758   1HB   SER 111          1HB       SER 111   4.783  -9.891   3.895
  759   2HB   SER 111          2HB       SER 111   5.612 -10.682   2.556
  760    HG   SER 111           HG       SER 111   7.495 -10.295   3.467
  761    H    LEU 112           H        LEU 112   4.003  -6.844   1.149
  762    HA   LEU 112           HA       LEU 112   2.826  -5.795   3.630
  763   1HB   LEU 112          1HB       LEU 112   3.940  -4.040   2.622
  764   2HB   LEU 112          2HB       LEU 112   3.574  -4.597   1.001
  765    HG   LEU 112           HG       LEU 112   1.192  -3.867   1.386
  766   1HD1  LEU 112          1HD1      LEU 112   1.643  -3.832   3.944
  767   2HD1  LEU 112          2HD1      LEU 112   2.224  -2.197   3.628
  768   3HD1  LEU 112          3HD1      LEU 112   0.565  -2.637   3.223
  769   1HD2  LEU 112          1HD2      LEU 112   2.426  -1.327   1.705
  770   2HD2  LEU 112          2HD2      LEU 112   3.507  -2.355   0.765
  771   3HD2  LEU 112          3HD2      LEU 112   1.848  -2.095   0.226
  772    H    ASP 113           H        ASP 113   0.924  -6.759   4.001
  773    HA   ASP 113           HA       ASP 113  -0.966  -7.179   1.809
  774   1HB   ASP 113          1HB       ASP 113  -1.275  -7.699   4.783
  775   2HB   ASP 113          2HB       ASP 113  -2.435  -8.146   3.539
  776    H    ALA 114           H        ALA 114  -2.791  -5.856   1.480
  777    HA   ALA 114           HA       ALA 114  -3.129  -3.725   3.507
  778   1HB   ALA 114          1HB       ALA 114  -3.376  -2.574   0.879
  779   2HB   ALA 114          2HB       ALA 114  -2.390  -2.059   2.247
  780   3HB   ALA 114          3HB       ALA 114  -1.773  -3.270   1.124
  781    H    THR 115           H        THR 115  -5.150  -4.029   4.156
  782    HA   THR 115           HA       THR 115  -7.301  -3.730   2.219
  783    HB   THR 115           HB       THR 115  -8.330  -5.687   3.874
  784    HG1  THR 115           HG1      THR 115  -5.709  -6.448   3.053
  785   1HG2  THR 115          1HG2      THR 115  -7.424  -5.522   1.067
  786   2HG2  THR 115          2HG2      THR 115  -9.021  -5.887   1.726
  787   3HG2  THR 115          3HG2      THR 115  -7.769  -7.129   1.706
  788    H    VAL 116           H        VAL 116  -9.164  -2.801   3.151
  789    HA   VAL 116           HA       VAL 116  -8.830  -1.923   5.916
  790    HB   VAL 116           HB       VAL 116 -11.267  -0.945   5.159
  791   1HG1  VAL 116          1HG1      VAL 116  -9.814   1.126   4.467
  792   2HG1  VAL 116          2HG1      VAL 116  -9.826   0.557   6.137
  793   3HG1  VAL 116          3HG1      VAL 116  -8.488   0.132   5.070
  794   1HG2  VAL 116          1HG2      VAL 116 -11.299  -0.302   2.916
  795   2HG2  VAL 116          2HG2      VAL 116  -9.580  -0.638   2.701
  796   3HG2  VAL 116          3HG2      VAL 116 -10.725  -1.970   2.863
  797    H    HIS 117           H        HIS 117  -9.197  -3.661   7.154
  798    HA   HIS 117           HA       HIS 117 -10.132  -5.551   8.001
  799   1HB   HIS 117          1HB       HIS 117 -12.125  -3.405   8.086
  800   2HB   HIS 117          2HB       HIS 117 -12.817  -5.020   8.221
  801    HD1  HIS 117           HD1      HIS 117 -12.591  -2.853  10.573
  802    HD2  HIS 117           HD2      HIS 117 -10.147  -6.170   9.987
  803    HE1  HIS 117           HE1      HIS 117 -11.587  -3.364  12.823
  804    HE2  HIS 117           HE2      HIS 117  -9.952  -5.241  12.397
  805    H    ASP 118           H        ASP 118  -9.594  -6.616   5.986
  806    HA   ASP 118           HA       ASP 118 -11.303  -6.968   3.826
  807   1HB   ASP 118          1HB       ASP 118  -9.508  -8.058   3.079
  808   2HB   ASP 118          2HB       ASP 118  -8.807  -7.999   4.688
  809    H    ASP 119           H        ASP 119 -12.680  -8.617   3.180
  810    HA   ASP 119           HA       ASP 119 -13.894 -10.153   5.393
  811   1HB   ASP 119          1HB       ASP 119 -15.349  -8.363   4.439
  812   2HB   ASP 119          2HB       ASP 119 -15.238  -9.151   2.871
  813    H    LYS 120           H        LYS 120 -13.359 -10.092   1.894
  814    HA   LYS 120           HA       LYS 120 -12.550 -12.878   1.908
  815   1HB   LYS 120          1HB       LYS 120 -15.175 -11.988   0.915
  816   2HB   LYS 120          2HB       LYS 120 -14.250 -12.921  -0.252
  817   1HG   LYS 120          1HG       LYS 120 -14.978 -14.763   0.737
  818   2HG   LYS 120          2HG       LYS 120 -14.038 -14.317   2.164
  819   1HD   LYS 120          1HD       LYS 120 -15.879 -13.828   3.327
  820   2HD   LYS 120          2HD       LYS 120 -16.530 -12.846   2.013
  821   1HE   LYS 120          1HE       LYS 120 -17.537 -14.712   0.982
  822   2HE   LYS 120          2HE       LYS 120 -16.621 -15.849   1.969
  823   1HZ   LYS 120          1HZ       LYS 120 -18.402 -13.960   3.328
  824   2HZ   LYS 120          2HZ       LYS 120 -17.986 -15.550   3.745
  825   3HZ   LYS 120          3HZ       LYS 120 -19.104 -15.267   2.504
  826    H    GLU 121           H        GLU 121 -11.004 -10.739   1.546
  827    HA   GLU 121           HA       GLU 121 -11.046  -9.747  -1.149
  828   1HB   GLU 121          1HB       GLU 121  -9.327  -9.261   1.260
  829   2HB   GLU 121          2HB       GLU 121  -8.860  -8.634  -0.312
  830   1HG   GLU 121          1HG       GLU 121 -10.368  -7.301   1.483
  831   2HG   GLU 121          2HG       GLU 121 -10.374  -6.991  -0.249
  832    H    ASP 122           H        ASP 122  -9.240  -9.817  -2.604
  833    HA   ASP 122           HA       ASP 122  -7.793 -12.373  -2.458
  834   1HB   ASP 122          1HB       ASP 122  -9.725 -12.134  -4.148
  835   2HB   ASP 122          2HB       ASP 122  -8.646 -11.064  -5.034
  836    H    SER 123           H        SER 123  -6.798 -11.119  -5.267
  837    HA   SER 123           HA       SER 123  -4.738  -9.395  -4.128
  838   1HB   SER 123          1HB       SER 123  -3.350 -11.217  -5.790
  839   2HB   SER 123          2HB       SER 123  -3.185 -10.999  -4.050
  840    HG   SER 123           HG       SER 123  -4.836 -12.821  -5.458
  841    H    ASP 124           H        ASP 124  -3.756  -8.029  -5.560
  842    HA   ASP 124           HA       ASP 124  -3.911  -8.465  -8.408
  843   1HB   ASP 124          1HB       ASP 124  -6.045  -7.178  -7.682
  844   2HB   ASP 124          2HB       ASP 124  -4.956  -5.817  -7.425
  845    H    VAL 125           H        VAL 125  -1.659  -8.658  -7.959
  846    HA   VAL 125           HA       VAL 125  -0.318  -6.085  -7.471
  847    HB   VAL 125           HB       VAL 125  -0.029  -7.827  -5.680
  848   1HG1  VAL 125          1HG1      VAL 125   1.085  -9.809  -5.980
  849   2HG1  VAL 125          2HG1      VAL 125   0.179  -9.686  -7.488
  850   3HG1  VAL 125          3HG1      VAL 125   1.891  -9.261  -7.450
  851   1HG2  VAL 125          1HG2      VAL 125   2.210  -7.278  -5.245
  852   2HG2  VAL 125          2HG2      VAL 125   2.601  -7.155  -6.961
  853   3HG2  VAL 125          3HG2      VAL 125   1.581  -5.935  -6.199
  854    H    LEU 126           H        LEU 126  -1.244  -6.959  -9.993
  855    HA   LEU 126           HA       LEU 126   0.761  -8.214 -11.541
  856   1HB   LEU 126          1HB       LEU 126  -1.250  -6.261 -12.632
  857   2HB   LEU 126          2HB       LEU 126  -0.536  -7.646 -13.435
  858    HG   LEU 126           HG       LEU 126  -2.485  -7.818 -11.133
  859   1HD1  LEU 126          1HD1      LEU 126  -3.342  -8.824 -13.723
  860   2HD1  LEU 126          2HD1      LEU 126  -4.185  -7.790 -12.571
  861   3HD1  LEU 126          3HD1      LEU 126  -3.052  -7.085 -13.722
  862   1HD2  LEU 126          1HD2      LEU 126  -0.884  -9.704 -11.354
  863   2HD2  LEU 126          2HD2      LEU 126  -2.565 -10.169 -11.611
  864   3HD2  LEU 126          3HD2      LEU 126  -1.483  -9.971 -12.990
  865    H    THR 127           H        THR 127  -0.283  -4.823 -11.814
  866    HA   THR 127           HA       THR 127   2.453  -3.909 -11.570
  867    HB   THR 127           HB       THR 127   1.080  -2.842 -13.984
  868    HG1  THR 127           HG1      THR 127   2.153  -5.454 -13.761
  869   1HG2  THR 127          1HG2      THR 127   3.083  -1.821 -13.918
  870   2HG2  THR 127          2HG2      THR 127   3.688  -3.322 -14.620
  871   3HG2  THR 127          3HG2      THR 127   3.790  -3.057 -12.878
  872    H    LYS 128           H        LYS 128  -0.581  -2.668 -12.920
  873    HA   LYS 128           HA       LYS 128  -2.030  -1.067 -12.301
  874   1HB   LYS 128          1HB       LYS 128  -1.173  -2.147  -9.857
  875   2HB   LYS 128          2HB       LYS 128  -1.157  -0.400  -9.646
  876   1HG   LYS 128          1HG       LYS 128  -3.360  -0.364  -9.449
  877   2HG   LYS 128          2HG       LYS 128  -3.549  -1.159 -11.011
  878   1HD   LYS 128          1HD       LYS 128  -3.153  -3.343  -9.849
  879   2HD   LYS 128          2HD       LYS 128  -3.203  -2.469  -8.317
  880   1HE   LYS 128          1HE       LYS 128  -5.366  -3.473  -8.812
  881   2HE   LYS 128          2HE       LYS 128  -5.476  -1.714  -8.822
  882   1HZ   LYS 128          1HZ       LYS 128  -6.665  -2.754 -10.678
  883   2HZ   LYS 128          2HZ       LYS 128  -5.209  -3.415 -11.246
  884   3HZ   LYS 128          3HZ       LYS 128  -5.426  -1.736 -11.213
  885    H    CYS 129           H        CYS 129   1.158  -0.233 -10.891
  886    HA   CYS 129           HA       CYS 129   0.947   2.385 -12.203
  887   1HB   CYS 129          1HB       CYS 129   0.072   2.621  -9.902
  888   2HB   CYS 129          2HB       CYS 129   1.595   1.999  -9.274
  889    HA   PRO 130           HA       PRO 130   5.249   1.004 -12.680
  890   1HB   PRO 130          1HB       PRO 130   5.531   1.711 -15.247
  891   2HB   PRO 130          2HB       PRO 130   4.655   0.247 -14.786
  892   1HG   PRO 130          1HG       PRO 130   3.603   2.878 -15.693
  893   2HG   PRO 130          2HG       PRO 130   2.962   1.252 -15.980
  894   1HD   PRO 130          1HD       PRO 130   2.066   3.084 -14.045
  895   2HD   PRO 130          2HD       PRO 130   1.658   1.360 -14.130
  896    H    VAL 131           H        VAL 131   4.934   3.162 -11.177
  897    HA   VAL 131           HA       VAL 131   5.809   5.561 -12.546
  898    HB   VAL 131           HB       VAL 131   4.340   5.025 -10.174
  899   1HG1  VAL 131          1HG1      VAL 131   6.864   6.589  -9.651
  900   2HG1  VAL 131          2HG1      VAL 131   5.428   6.666  -8.629
  901   3HG1  VAL 131          3HG1      VAL 131   6.299   5.142  -8.814
  902   1HG2  VAL 131          1HG2      VAL 131   3.694   6.656 -11.793
  903   2HG2  VAL 131          2HG2      VAL 131   3.973   7.490 -10.261
  904   3HG2  VAL 131          3HG2      VAL 131   5.182   7.569 -11.546
  Start of MODEL    9
    1   1H    ARG  14          1H        ARG  14 -11.806  -8.428  12.102
    2    HA   ARG  14           HA       ARG  14 -11.358 -11.038  10.809
    3   1HB   ARG  14          1HB       ARG  14 -13.744  -9.925  11.627
    4   2HB   ARG  14          2HB       ARG  14 -13.699  -9.520   9.917
    5   1HG   ARG  14          1HG       ARG  14 -14.856 -11.579  10.130
    6   2HG   ARG  14          2HG       ARG  14 -13.272 -11.939   9.441
    7   1HD   ARG  14          1HD       ARG  14 -14.114 -13.475  11.299
    8   2HD   ARG  14          2HD       ARG  14 -12.477 -12.842  11.453
    9    HE   ARG  14           HE       ARG  14 -14.468 -11.246  12.781
   10   1HH1  ARG  14          1HH1      ARG  14 -12.348 -14.017  13.093
   11   2HH1  ARG  14          2HH1      ARG  14 -12.265 -13.914  14.821
   12   1HH2  ARG  14          1HH2      ARG  14 -14.339 -11.096  15.054
   13   2HH2  ARG  14          2HH2      ARG  14 -13.392 -12.254  15.944
   14    H    ILE  15           H        ILE  15 -10.717 -11.117   8.734
   15    HA   ILE  15           HA       ILE  15 -10.424  -8.560   7.294
   16    HB   ILE  15           HB       ILE  15  -8.437 -10.222   6.278
   17   1HG1  ILE  15          1HG1      ILE  15  -7.566 -10.182   9.041
   18   2HG1  ILE  15          2HG1      ILE  15  -9.014 -11.170   8.858
   19   1HG2  ILE  15          1HG2      ILE  15  -8.364  -7.785   6.583
   20   2HG2  ILE  15          2HG2      ILE  15  -8.153  -8.022   8.319
   21   3HG2  ILE  15          3HG2      ILE  15  -6.913  -8.580   7.197
   22   1HD1  ILE  15          1HD1      ILE  15  -7.957 -12.632   7.375
   23   2HD1  ILE  15          2HD1      ILE  15  -6.635 -11.507   7.069
   24   3HD1  ILE  15          3HD1      ILE  15  -6.758 -12.318   8.629
   25    HA   PRO  16           HA       PRO  16 -13.026 -10.944   4.485
   26   1HB   PRO  16          1HB       PRO  16 -12.941  -8.424   2.956
   27   2HB   PRO  16          2HB       PRO  16 -14.334  -9.312   3.578
   28   1HG   PRO  16          1HG       PRO  16 -13.542  -6.997   4.674
   29   2HG   PRO  16          2HG       PRO  16 -14.208  -8.314   5.661
   30   1HD   PRO  16          1HD       PRO  16 -11.357  -7.485   5.274
   31   2HD   PRO  16          2HD       PRO  16 -12.190  -8.003   6.754
   32    H    ASN  17           H        ASN  17 -11.017  -8.520   2.813
   33    HA   ASN  17           HA       ASN  17  -9.712 -10.724   1.382
   34   1HB   ASN  17          1HB       ASN  17 -11.517  -9.586  -0.004
   35   2HB   ASN  17          2HB       ASN  17 -10.504  -8.144   0.026
   36   1HD2  ASN  17          1HD2      ASN  17  -8.952  -7.949  -1.454
   37   2HD2  ASN  17          2HD2      ASN  17  -8.413  -9.218  -2.519
   38    H    ILE  18           H        ILE  18  -7.887 -10.490   2.695
   39    HA   ILE  18           HA       ILE  18  -6.465  -7.942   2.450
   40    HB   ILE  18           HB       ILE  18  -6.537  -8.639   4.709
   41   1HG1  ILE  18          1HG1      ILE  18  -3.844  -9.714   4.335
   42   2HG1  ILE  18          2HG1      ILE  18  -4.141  -8.252   3.398
   43   1HG2  ILE  18          1HG2      ILE  18  -6.437 -10.738   5.505
   44   2HG2  ILE  18          2HG2      ILE  18  -6.878 -11.140   3.846
   45   3HG2  ILE  18          3HG2      ILE  18  -5.191 -11.234   4.357
   46   1HD1  ILE  18          1HD1      ILE  18  -3.208  -8.109   5.825
   47   2HD1  ILE  18          2HD1      ILE  18  -4.414  -6.954   5.265
   48   3HD1  ILE  18          3HD1      ILE  18  -4.900  -8.314   6.275
   49    H    ALA  19           H        ALA  19  -5.189  -7.763   0.779
   50    HA   ALA  19           HA       ALA  19  -4.146 -10.152  -0.530
   51   1HB   ALA  19          1HB       ALA  19  -3.517  -7.621  -1.805
   52   2HB   ALA  19          2HB       ALA  19  -4.371  -9.026  -2.442
   53   3HB   ALA  19          3HB       ALA  19  -5.245  -7.812  -1.508
   54    H    THR  20           H        THR  20  -2.157 -10.794  -0.177
   55    HA   THR  20           HA       THR  20  -0.259  -9.063   1.162
   56    HB   THR  20           HB       THR  20   0.262 -11.885   0.260
   57    HG1  THR  20           HG1      THR  20  -1.104 -11.003   2.624
   58   1HG2  THR  20          1HG2      THR  20   1.929 -10.124   1.416
   59   2HG2  THR  20          2HG2      THR  20   2.013 -11.860   1.713
   60   3HG2  THR  20          3HG2      THR  20   1.185 -10.810   2.862
   61    H    TYR  21           H        TYR  21   0.561  -7.612  -0.232
   62    HA   TYR  21           HA       TYR  21   1.320  -8.318  -2.919
   63   1HB   TYR  21          1HB       TYR  21   1.720  -5.815  -1.278
   64   2HB   TYR  21          2HB       TYR  21   2.261  -5.977  -2.944
   65    HD1  TYR  21           HD1      TYR  21  -0.553  -5.352  -0.762
   66    HD2  TYR  21           HD2      TYR  21   0.567  -6.294  -4.758
   67    HE1  TYR  21           HE1      TYR  21  -2.773  -4.643  -1.545
   68    HE2  TYR  21           HE2      TYR  21  -1.647  -5.583  -5.551
   69    HH   TYR  21           HH       TYR  21  -4.098  -5.447  -4.279
   70    H    THR  22           H        THR  22   2.819  -9.986  -2.591
   71    HA   THR  22           HA       THR  22   5.352  -9.231  -1.348
   72    HB   THR  22           HB       THR  22   4.705 -11.388  -0.638
   73    HG1  THR  22           HG1      THR  22   6.316 -12.767  -1.739
   74   1HG2  THR  22          1HG2      THR  22   4.067 -13.209  -2.143
   75   2HG2  THR  22          2HG2      THR  22   4.234 -12.129  -3.527
   76   3HG2  THR  22          3HG2      THR  22   2.982 -11.830  -2.322
   77    H    GLY  23           H        GLY  23   6.727  -8.189  -2.603
   78   1HA   GLY  23          1HA       GLY  23   7.249  -9.201  -5.293
   79   2HA   GLY  23          2HA       GLY  23   6.703  -7.536  -5.161
   80    H    THR  24           H        THR  24   8.958  -7.609  -6.331
   81    HA   THR  24           HA       THR  24  11.108  -7.397  -4.348
   82    HB   THR  24           HB       THR  24  12.173  -7.093  -6.931
   83    HG1  THR  24           HG1      THR  24  11.272  -9.299  -7.682
   84   1HG2  THR  24          1HG2      THR  24  13.583  -8.346  -5.702
   85   2HG2  THR  24          2HG2      THR  24  12.633  -9.719  -6.271
   86   3HG2  THR  24          3HG2      THR  24  12.280  -8.991  -4.703
   87    H    ILE  25           H        ILE  25  11.750  -5.438  -3.739
   88    HA   ILE  25           HA       ILE  25  11.043  -3.142  -5.435
   89    HB   ILE  25           HB       ILE  25  10.164  -3.093  -3.126
   90   1HG1  ILE  25          1HG1      ILE  25  12.183  -0.919  -3.086
   91   2HG1  ILE  25          2HG1      ILE  25  11.185  -1.034  -4.532
   92   1HG2  ILE  25          1HG2      ILE  25  11.466  -3.108  -1.223
   93   2HG2  ILE  25          2HG2      ILE  25  12.272  -4.300  -2.245
   94   3HG2  ILE  25          3HG2      ILE  25  12.935  -2.672  -2.101
   95   1HD1  ILE  25          1HD1      ILE  25   9.976  -0.993  -1.794
   96   2HD1  ILE  25          2HD1      ILE  25  10.396   0.489  -2.653
   97   3HD1  ILE  25          3HD1      ILE  25   9.220  -0.629  -3.347
   98    H    GLN  26           H        GLN  26  12.614  -1.514  -5.838
   99    HA   GLN  26           HA       GLN  26  15.192  -2.688  -6.357
  100   1HB   GLN  26          1HB       GLN  26  14.317   0.145  -6.915
  101   2HB   GLN  26          2HB       GLN  26  15.619  -0.749  -7.689
  102   1HG   GLN  26          1HG       GLN  26  12.661  -1.179  -7.979
  103   2HG   GLN  26          2HG       GLN  26  13.807  -0.660  -9.213
  104   1HE2  GLN  26          1HE2      GLN  26  11.966  -3.138  -8.439
  105   2HE2  GLN  26          2HE2      GLN  26  12.935  -4.470  -8.988
  106    H    GLY  27           H        GLY  27  17.199  -1.813  -5.717
  107   1HA   GLY  27          1HA       GLY  27  17.263  -1.155  -2.951
  108   2HA   GLY  27          2HA       GLY  27  18.647  -1.244  -4.029
  109    H    LYS  28           H        LYS  28  17.386   0.698  -1.934
  110    HA   LYS  28           HA       LYS  28  17.270   2.925  -1.522
  111   1HB   LYS  28          1HB       LYS  28  19.744   2.386  -2.384
  112   2HB   LYS  28          2HB       LYS  28  19.268   3.535  -3.627
  113   1HG   LYS  28          1HG       LYS  28  19.746   5.198  -2.255
  114   2HG   LYS  28          2HG       LYS  28  18.494   4.632  -1.147
  115   1HD   LYS  28          1HD       LYS  28  20.019   3.936   0.317
  116   2HD   LYS  28          2HD       LYS  28  20.861   3.005  -0.923
  117   1HE   LYS  28          1HE       LYS  28  21.595   5.525  -1.592
  118   2HE   LYS  28          2HE       LYS  28  21.431   5.686   0.155
  119   1HZ   LYS  28          1HZ       LYS  28  23.352   4.648   0.430
  120   2HZ   LYS  28          2HZ       LYS  28  23.559   4.603  -1.254
  121   3HZ   LYS  28          3HZ       LYS  28  22.816   3.305  -0.459
  122    H    GLY  29           H        GLY  29  15.135   2.527  -2.802
  123   1HA   GLY  29          1HA       GLY  29  14.835   4.818  -4.542
  124   2HA   GLY  29          2HA       GLY  29  14.538   3.268  -5.320
  125    H    GLU  30           H        GLU  30  12.401   4.531  -5.528
  126    HA   GLU  30           HA       GLU  30  10.650   3.610  -3.385
  127   1HB   GLU  30          1HB       GLU  30   9.569   6.087  -4.186
  128   2HB   GLU  30          2HB       GLU  30  10.217   5.662  -2.609
  129   1HG   GLU  30          1HG       GLU  30  12.505   6.263  -3.711
  130   2HG   GLU  30          2HG       GLU  30  11.494   7.155  -4.848
  131    H    VAL  31           H        VAL  31   8.670   2.944  -4.102
  132    HA   VAL  31           HA       VAL  31   8.104   3.363  -6.967
  133    HB   VAL  31           HB       VAL  31   7.264   1.093  -7.185
  134   1HG1  VAL  31          1HG1      VAL  31   9.724   1.608  -7.486
  135   2HG1  VAL  31          2HG1      VAL  31   9.974   0.856  -5.911
  136   3HG1  VAL  31          3HG1      VAL  31   9.301  -0.087  -7.241
  137   1HG2  VAL  31          1HG2      VAL  31   6.389   0.511  -5.098
  138   2HG2  VAL  31          2HG2      VAL  31   7.790  -0.545  -5.280
  139   3HG2  VAL  31          3HG2      VAL  31   7.894   0.889  -4.259
  140    H    CYS  32           H        CYS  32   5.798   2.930  -7.500
  141    HA   CYS  32           HA       CYS  32   4.133   4.104  -5.384
  142   1HB   CYS  32          1HB       CYS  32   2.805   4.524  -7.766
  143   2HB   CYS  32          2HB       CYS  32   3.832   5.694  -6.944
  144    H    ILE  33           H        ILE  33   2.877   2.566  -4.467
  145    HA   ILE  33           HA       ILE  33   1.558   0.614  -6.209
  146    HB   ILE  33           HB       ILE  33   1.360   0.875  -3.202
  147   1HG1  ILE  33          1HG1      ILE  33   3.672   0.350  -4.050
  148   2HG1  ILE  33          2HG1      ILE  33   2.975  -0.888  -3.013
  149   1HG2  ILE  33          1HG2      ILE  33   0.087  -0.854  -5.195
  150   2HG2  ILE  33          2HG2      ILE  33   0.787  -1.715  -3.825
  151   3HG2  ILE  33          3HG2      ILE  33  -0.413  -0.451  -3.552
  152   1HD1  ILE  33          1HD1      ILE  33   4.225  -1.546  -5.200
  153   2HD1  ILE  33          2HD1      ILE  33   2.751  -2.393  -4.732
  154   3HD1  ILE  33          3HD1      ILE  33   2.692  -1.137  -5.969
  155    H    ILE  34           H        ILE  34   0.013   1.696  -7.294
  156    HA   ILE  34           HA       ILE  34  -1.939   3.236  -5.720
  157    HB   ILE  34           HB       ILE  34  -0.930   4.662  -7.361
  158   1HG1  ILE  34          1HG1      ILE  34  -3.321   4.193  -8.971
  159   2HG1  ILE  34          2HG1      ILE  34  -3.658   4.186  -7.243
  160   1HG2  ILE  34          1HG2      ILE  34  -0.698   4.180  -9.666
  161   2HG2  ILE  34          2HG2      ILE  34  -0.118   2.759  -8.798
  162   3HG2  ILE  34          3HG2      ILE  34  -1.717   2.747  -9.541
  163   1HD1  ILE  34          1HD1      ILE  34  -3.430   6.394  -7.098
  164   2HD1  ILE  34          2HD1      ILE  34  -1.943   6.389  -8.045
  165   3HD1  ILE  34          3HD1      ILE  34  -3.506   6.398  -8.860
  166    H    GLY  35           H        GLY  35  -4.014   2.573  -5.688
  167   1HA   GLY  35          1HA       GLY  35  -4.624  -0.029  -6.734
  168   2HA   GLY  35          2HA       GLY  35  -5.705   1.007  -5.812
  169    H    ASN  36           H        ASN  36  -6.746   2.786  -6.963
  170    HA   ASN  36           HA       ASN  36  -6.937   2.317  -9.854
  171   1HB   ASN  36          1HB       ASN  36  -8.978   1.832  -7.929
  172   2HB   ASN  36          2HB       ASN  36  -9.464   3.226  -8.890
  173   1HD2  ASN  36          1HD2      ASN  36  -7.576   0.371  -9.801
  174   2HD2  ASN  36          2HD2      ASN  36  -8.672  -0.170 -11.030
  175    H    LYS  37           H        LYS  37  -7.679   4.143 -11.079
  176    HA   LYS  37           HA       LYS  37  -7.659   6.714  -9.669
  177   1HB   LYS  37          1HB       LYS  37  -5.414   6.236 -10.765
  178   2HB   LYS  37          2HB       LYS  37  -6.249   6.294 -12.312
  179   1HG   LYS  37          1HG       LYS  37  -7.051   8.624 -11.522
  180   2HG   LYS  37          2HG       LYS  37  -5.720   8.504 -10.369
  181   1HD   LYS  37          1HD       LYS  37  -4.106   8.477 -12.048
  182   2HD   LYS  37          2HD       LYS  37  -5.264   7.986 -13.287
  183   1HE   LYS  37          1HE       LYS  37  -6.206  10.430 -12.310
  184   2HE   LYS  37          2HE       LYS  37  -4.460  10.630 -12.464
  185   1HZ   LYS  37          1HZ       LYS  37  -4.535  10.176 -14.736
  186   2HZ   LYS  37          2HZ       LYS  37  -5.896  11.157 -14.481
  187   3HZ   LYS  37          3HZ       LYS  37  -6.083   9.478 -14.656
  188    H    GLU  38           H        GLU  38  -7.915   5.529 -13.009
  189    HA   GLU  38           HA       GLU  38 -10.422   7.009 -13.322
  190   1HB   GLU  38          1HB       GLU  38  -9.901   5.982 -15.787
  191   2HB   GLU  38          2HB       GLU  38  -9.341   7.553 -15.234
  192   1HG   GLU  38          1HG       GLU  38  -7.435   5.717 -14.338
  193   2HG   GLU  38          2HG       GLU  38  -7.828   5.236 -15.990
  194    H    GLY  39           H        GLY  39 -11.354   5.320 -11.857
  195   1HA   GLY  39          1HA       GLY  39 -12.657   3.303 -13.451
  196   2HA   GLY  39          2HA       GLY  39 -11.545   2.647 -12.258
  197    H    LYS  40           H        LYS  40 -14.120   1.935 -12.078
  198    HA   LYS  40           HA       LYS  40 -15.380   3.689 -10.093
  199   1HB   LYS  40          1HB       LYS  40 -16.520   2.481 -12.170
  200   2HB   LYS  40          2HB       LYS  40 -16.646   1.153 -11.025
  201   1HG   LYS  40          1HG       LYS  40 -17.510   3.574  -9.773
  202   2HG   LYS  40          2HG       LYS  40 -18.355   3.359 -11.309
  203   1HD   LYS  40          1HD       LYS  40 -18.495   0.852 -10.326
  204   2HD   LYS  40          2HD       LYS  40 -18.491   1.776  -8.823
  205   1HE   LYS  40          1HE       LYS  40 -20.741   1.684  -9.285
  206   2HE   LYS  40          2HE       LYS  40 -20.295   3.214 -10.040
  207   1HZ   LYS  40          1HZ       LYS  40 -20.376   0.658 -11.538
  208   2HZ   LYS  40          2HZ       LYS  40 -20.307   2.235 -12.164
  209   3HZ   LYS  40          3HZ       LYS  40 -21.719   1.686 -11.405
  210    H    THR  41           H        THR  41 -13.191   1.282 -10.103
  211    HA   THR  41           HA       THR  41 -14.103  -0.518  -8.147
  212    HB   THR  41           HB       THR  41 -11.197   0.071  -8.295
  213    HG1  THR  41           HG1      THR  41 -11.297   0.140 -10.419
  214   1HG2  THR  41          1HG2      THR  41 -11.104  -2.394  -8.486
  215   2HG2  THR  41          2HG2      THR  41 -12.866  -2.439  -8.473
  216   3HG2  THR  41          3HG2      THR  41 -11.987  -1.859  -7.057
  217    H    ARG  42           H        ARG  42 -14.850   0.245  -6.263
  218    HA   ARG  42           HA       ARG  42 -13.329   2.294  -4.824
  219   1HB   ARG  42          1HB       ARG  42 -16.120   1.491  -4.952
  220   2HB   ARG  42          2HB       ARG  42 -15.551   1.601  -3.292
  221   1HG   ARG  42          1HG       ARG  42 -15.004   3.871  -3.512
  222   2HG   ARG  42          2HG       ARG  42 -15.110   3.808  -5.273
  223   1HD   ARG  42          1HD       ARG  42 -17.126   4.771  -4.806
  224   2HD   ARG  42          2HD       ARG  42 -17.589   3.071  -4.740
  225    HE   ARG  42           HE       ARG  42 -17.163   3.327  -2.238
  226   1HH1  ARG  42          1HH1      ARG  42 -18.284   5.942  -4.282
  227   2HH1  ARG  42          2HH1      ARG  42 -19.131   6.749  -2.988
  228   1HH2  ARG  42          1HH2      ARG  42 -18.243   4.386  -0.547
  229   2HH2  ARG  42          2HH2      ARG  42 -19.091   5.869  -0.864
  230    H    GLY  43           H        GLY  43 -11.611   1.261  -3.926
  231   1HA   GLY  43          1HA       GLY  43 -12.162  -0.351  -1.601
  232   2HA   GLY  43          2HA       GLY  43 -11.332  -1.225  -2.884
  233    H    GLY  44           H        GLY  44 -11.080   1.287  -0.488
  234   1HA   GLY  44          1HA       GLY  44  -8.167   1.191  -0.794
  235   2HA   GLY  44          2HA       GLY  44  -8.960   2.756  -0.882
  236    H    GLU  45           H        GLU  45  -9.447  -0.066   1.234
  237    HA   GLU  45           HA       GLU  45  -9.651   1.596   3.553
  238   1HB   GLU  45          1HB       GLU  45 -10.792  -0.646   3.226
  239   2HB   GLU  45          2HB       GLU  45  -9.224  -1.395   3.487
  240   1HG   GLU  45          1HG       GLU  45  -9.499  -1.296   5.673
  241   2HG   GLU  45          2HG       GLU  45  -9.729   0.450   5.599
  242    H    LEU  46           H        LEU  46  -7.983   2.500   4.547
  243    HA   LEU  46           HA       LEU  46  -5.307   1.775   3.821
  244   1HB   LEU  46          1HB       LEU  46  -6.030   3.757   5.956
  245   2HB   LEU  46          2HB       LEU  46  -4.594   3.710   4.952
  246    HG   LEU  46           HG       LEU  46  -7.306   4.194   3.756
  247   1HD1  LEU  46          1HD1      LEU  46  -7.446   6.159   4.782
  248   2HD1  LEU  46          2HD1      LEU  46  -5.891   5.906   5.573
  249   3HD1  LEU  46          3HD1      LEU  46  -5.956   6.640   3.972
  250   1HD2  LEU  46          1HD2      LEU  46  -6.134   4.275   1.871
  251   2HD2  LEU  46          2HD2      LEU  46  -5.183   5.610   2.522
  252   3HD2  LEU  46          3HD2      LEU  46  -4.650   3.945   2.764
  253    H    TYR  47           H        TYR  47  -6.047  -0.452   4.911
  254    HA   TYR  47           HA       TYR  47  -4.528  -0.433   7.434
  255   1HB   TYR  47          1HB       TYR  47  -6.811  -1.243   7.868
  256   2HB   TYR  47          2HB       TYR  47  -6.633  -2.447   6.593
  257    HD1  TYR  47           HD1      TYR  47  -5.679  -4.555   7.061
  258    HD2  TYR  47           HD2      TYR  47  -5.253  -1.399   9.886
  259    HE1  TYR  47           HE1      TYR  47  -4.707  -6.139   8.676
  260    HE2  TYR  47           HE2      TYR  47  -4.289  -2.976  11.509
  261    HH   TYR  47           HH       TYR  47  -4.460  -6.328  11.166
  262    H    ALA  48           H        ALA  48  -2.537  -0.858   6.793
  263    HA   ALA  48           HA       ALA  48  -2.087  -3.297   5.241
  264   1HB   ALA  48          1HB       ALA  48  -0.110  -1.532   4.366
  265   2HB   ALA  48          2HB       ALA  48  -1.478  -2.145   3.438
  266   3HB   ALA  48          3HB       ALA  48  -1.614  -0.612   4.300
  267    H    VAL  49           H        VAL  49  -0.496  -4.510   6.050
  268    HA   VAL  49           HA       VAL  49   1.396  -3.189   7.877
  269    HB   VAL  49           HB       VAL  49   0.252  -4.757   9.208
  270   1HG1  VAL  49          1HG1      VAL  49   0.452  -6.596   6.860
  271   2HG1  VAL  49          2HG1      VAL  49   0.180  -7.223   8.487
  272   3HG1  VAL  49          3HG1      VAL  49  -0.973  -6.096   7.771
  273   1HG2  VAL  49          1HG2      VAL  49   2.942  -4.949   8.839
  274   2HG2  VAL  49          2HG2      VAL  49   2.035  -5.760  10.119
  275   3HG2  VAL  49          3HG2      VAL  49   2.433  -6.626   8.634
  276    H    LEU  50           H        LEU  50   3.185  -2.783   6.838
  277    HA   LEU  50           HA       LEU  50   4.053  -4.349   4.592
  278   1HB   LEU  50          1HB       LEU  50   4.424  -1.935   4.646
  279   2HB   LEU  50          2HB       LEU  50   5.388  -2.097   6.100
  280    HG   LEU  50           HG       LEU  50   7.046  -3.423   4.804
  281   1HD1  LEU  50          1HD1      LEU  50   5.389  -4.129   3.050
  282   2HD1  LEU  50          2HD1      LEU  50   5.540  -2.509   2.367
  283   3HD1  LEU  50          3HD1      LEU  50   6.949  -3.568   2.444
  284   1HD2  LEU  50          1HD2      LEU  50   8.122  -1.507   4.519
  285   2HD2  LEU  50          2HD2      LEU  50   7.068  -1.055   3.178
  286   3HD2  LEU  50          3HD2      LEU  50   6.607  -0.662   4.835
  287    H    HIS  51           H        HIS  51   4.919  -6.274   4.898
  288    HA   HIS  51           HA       HIS  51   6.488  -6.766   7.326
  289   1HB   HIS  51          1HB       HIS  51   4.834  -8.454   5.543
  290   2HB   HIS  51          2HB       HIS  51   6.278  -9.210   6.212
  291    HD1  HIS  51           HD1      HIS  51   6.363  -8.285   9.037
  292    HD2  HIS  51           HD2      HIS  51   2.785  -9.221   7.124
  293    HE1  HIS  51           HE1      HIS  51   4.719  -8.801  10.876
  294    HE2  HIS  51           HE2      HIS  51   2.614  -9.527   9.690
  295    H    SER  52           H        SER  52   8.481  -7.912   7.191
  296    HA   SER  52           HA       SER  52   9.907  -7.331   4.675
  297   1HB   SER  52          1HB       SER  52  11.666  -7.467   6.953
  298   2HB   SER  52          2HB       SER  52  11.365  -6.113   5.865
  299    HG   SER  52           HG       SER  52   9.589  -6.778   7.966
  300    H    THR  53           H        THR  53  10.357  -9.195   3.643
  301    HA   THR  53           HA       THR  53  10.508 -11.708   4.930
  302    HB   THR  53           HB       THR  53  11.682 -11.032   2.235
  303    HG1  THR  53           HG1      THR  53   9.606 -11.401   1.406
  304   1HG2  THR  53          1HG2      THR  53  10.553 -13.565   3.425
  305   2HG2  THR  53          2HG2      THR  53  12.233 -13.254   2.988
  306   3HG2  THR  53          3HG2      THR  53  11.001 -13.371   1.730
  307    H    ASN  54           H        ASN  54  12.978  -9.376   3.934
  308    HA   ASN  54           HA       ASN  54  15.006 -11.152   5.090
  309   1HB   ASN  54          1HB       ASN  54  16.664  -9.716   3.830
  310   2HB   ASN  54          2HB       ASN  54  15.618 -10.723   2.843
  311   1HD2  ASN  54          1HD2      ASN  54  16.898  -8.774   1.631
  312   2HD2  ASN  54          2HD2      ASN  54  15.845  -7.457   1.234
  313    H    VAL  55           H        VAL  55  16.683 -10.223   6.323
  314    HA   VAL  55           HA       VAL  55  16.050  -9.081   8.618
  315    HB   VAL  55           HB       VAL  55  18.491  -7.846   8.221
  316   1HG1  VAL  55          1HG1      VAL  55  19.335 -10.107   9.191
  317   2HG1  VAL  55          2HG1      VAL  55  18.230  -9.106  10.133
  318   3HG1  VAL  55          3HG1      VAL  55  17.618 -10.509   9.258
  319   1HG2  VAL  55          1HG2      VAL  55  18.667 -10.463   6.759
  320   2HG2  VAL  55          2HG2      VAL  55  18.365  -8.953   5.898
  321   3HG2  VAL  55          3HG2      VAL  55  19.842  -9.151   6.841
  322    H    ASN  56           H        ASN  56  17.845  -6.875   6.499
  323    HA   ASN  56           HA       ASN  56  16.171  -4.744   7.602
  324   1HB   ASN  56          1HB       ASN  56  17.967  -3.218   7.422
  325   2HB   ASN  56          2HB       ASN  56  18.647  -4.685   8.109
  326   1HD2  ASN  56          1HD2      ASN  56  19.249  -2.265   6.072
  327   2HD2  ASN  56          2HD2      ASN  56  20.344  -3.045   4.973
  328    H    ALA  57           H        ALA  57  14.714  -5.690   5.851
  329    HA   ALA  57           HA       ALA  57  14.949  -4.935   3.190
  330   1HB   ALA  57          1HB       ALA  57  13.021  -6.169   4.337
  331   2HB   ALA  57          2HB       ALA  57  12.397  -4.568   4.737
  332   3HB   ALA  57          3HB       ALA  57  12.606  -5.038   3.051
  333    H    ASP  58           H        ASP  58  14.168  -3.103   6.054
  334    HA   ASP  58           HA       ASP  58  14.036  -0.891   6.525
  335   1HB   ASP  58          1HB       ASP  58  16.499  -1.407   5.583
  336   2HB   ASP  58          2HB       ASP  58  15.992  -0.208   4.397
  337    H    MET  59           H        MET  59  11.882  -1.158   5.396
  338    HA   MET  59           HA       MET  59  11.750   0.647   3.083
  339   1HB   MET  59          1HB       MET  59  10.773  -2.001   3.403
  340   2HB   MET  59          2HB       MET  59   9.381  -0.930   3.327
  341   1HG   MET  59          1HG       MET  59   9.999  -0.119   1.201
  342   2HG   MET  59          2HG       MET  59  11.599  -0.854   1.307
  343   1HE   MET  59          1HE       MET  59  11.490  -4.220   0.425
  344   2HE   MET  59          2HE       MET  59  11.988  -3.146   1.731
  345   3HE   MET  59          3HE       MET  59  10.710  -4.332   2.004
  346    H    THR  60           H        THR  60  10.411   2.340   3.182
  347    HA   THR  60           HA       THR  60   8.752   2.618   5.603
  348    HB   THR  60           HB       THR  60   9.475   5.058   4.091
  349    HG1  THR  60           HG1      THR  60  11.392   3.393   4.541
  350   1HG2  THR  60          1HG2      THR  60   9.935   5.778   6.523
  351   2HG2  THR  60          2HG2      THR  60   9.193   4.241   6.967
  352   3HG2  THR  60          3HG2      THR  60   8.266   5.436   6.060
  353    H    LEU  61           H        LEU  61   6.708   2.186   5.050
  354    HA   LEU  61           HA       LEU  61   5.751   2.707   2.364
  355   1HB   LEU  61          1HB       LEU  61   5.079   0.660   3.508
  356   2HB   LEU  61          2HB       LEU  61   4.371   1.598   4.810
  357    HG   LEU  61           HG       LEU  61   2.819   2.586   3.031
  358   1HD1  LEU  61          1HD1      LEU  61   3.942   0.232   1.524
  359   2HD1  LEU  61          2HD1      LEU  61   2.438   1.051   1.103
  360   3HD1  LEU  61          3HD1      LEU  61   3.967   1.927   1.041
  361   1HD2  LEU  61          1HD2      LEU  61   2.114   0.985   4.743
  362   2HD2  LEU  61          2HD2      LEU  61   1.286   0.702   3.212
  363   3HD2  LEU  61          3HD2      LEU  61   2.615  -0.348   3.702
  364    H    ILE  62           H        ILE  62   5.019   4.629   1.799
  365    HA   ILE  62           HA       ILE  62   4.134   6.424   3.935
  366    HB   ILE  62           HB       ILE  62   5.747   6.811   1.533
  367   1HG1  ILE  62          1HG1      ILE  62   6.035   8.997   3.129
  368   2HG1  ILE  62          2HG1      ILE  62   5.434   7.805   4.279
  369   1HG2  ILE  62          1HG2      ILE  62   4.318   8.158   0.432
  370   2HG2  ILE  62          2HG2      ILE  62   3.287   8.381   1.847
  371   3HG2  ILE  62          3HG2      ILE  62   4.758   9.339   1.668
  372   1HD1  ILE  62          1HD1      ILE  62   7.636   7.362   4.478
  373   2HD1  ILE  62          2HD1      ILE  62   7.315   6.334   3.083
  374   3HD1  ILE  62          3HD1      ILE  62   8.015   7.936   2.854
  375    H    LEU  63           H        LEU  63   2.175   7.047   4.094
  376    HA   LEU  63           HA       LEU  63   0.224   6.507   2.008
  377   1HB   LEU  63          1HB       LEU  63   0.078   6.316   4.690
  378   2HB   LEU  63          2HB       LEU  63  -0.500   7.959   4.492
  379    HG   LEU  63           HG       LEU  63  -1.726   5.409   3.564
  380   1HD1  LEU  63          1HD1      LEU  63  -2.157   6.837   5.776
  381   2HD1  LEU  63          2HD1      LEU  63  -3.272   7.660   4.684
  382   3HD1  LEU  63          3HD1      LEU  63  -3.430   5.926   4.961
  383   1HD2  LEU  63          1HD2      LEU  63  -3.403   7.206   2.503
  384   2HD2  LEU  63          2HD2      LEU  63  -1.867   8.042   2.256
  385   3HD2  LEU  63          3HD2      LEU  63  -2.109   6.428   1.587
  386    H    LEU  64           H        LEU  64   0.557   7.996   0.398
  387    HA   LEU  64           HA       LEU  64   0.042  10.778   1.168
  388   1HB   LEU  64          1HB       LEU  64   1.942  11.595   0.333
  389   2HB   LEU  64          2HB       LEU  64   2.533   9.950   0.427
  390    HG   LEU  64           HG       LEU  64   1.301  10.047  -2.048
  391   1HD1  LEU  64          1HD1      LEU  64   1.576  12.038  -3.046
  392   2HD1  LEU  64          2HD1      LEU  64   1.536  12.667  -1.398
  393   3HD1  LEU  64          3HD1      LEU  64   3.083  12.371  -2.193
  394   1HD2  LEU  64          1HD2      LEU  64   3.387   8.920  -1.452
  395   2HD2  LEU  64          2HD2      LEU  64   3.577   9.917  -2.895
  396   3HD2  LEU  64          3HD2      LEU  64   4.197  10.484  -1.345
  397    H    ARG  65           H        ARG  65  -0.729  12.115  -0.677
  398    HA   ARG  65           HA       ARG  65  -1.886  10.481  -2.815
  399   1HB   ARG  65          1HB       ARG  65  -3.970  11.769  -2.738
  400   2HB   ARG  65          2HB       ARG  65  -3.685  10.922  -1.228
  401   1HG   ARG  65          1HG       ARG  65  -2.788  13.746  -1.434
  402   2HG   ARG  65          2HG       ARG  65  -4.516  13.420  -1.290
  403   1HD   ARG  65          1HD       ARG  65  -4.336  12.694   0.845
  404   2HD   ARG  65          2HD       ARG  65  -2.756  11.960   0.575
  405    HE   ARG  65           HE       ARG  65  -1.798  14.204   0.739
  406   1HH1  ARG  65          1HH1      ARG  65  -5.028  13.684   2.021
  407   2HH1  ARG  65          2HH1      ARG  65  -4.966  15.075   3.069
  408   1HH2  ARG  65          1HH2      ARG  65  -1.736  16.037   2.119
  409   2HH2  ARG  65          2HH2      ARG  65  -3.103  16.400   3.121
  410    H    ASN  66           H        ASN  66  -0.700  11.062  -4.448
  411    HA   ASN  66           HA       ASN  66  -0.848  13.849  -5.329
  412   1HB   ASN  66          1HB       ASN  66   1.418  13.620  -4.504
  413   2HB   ASN  66          2HB       ASN  66   1.624  12.097  -5.362
  414   1HD2  ASN  66          1HD2      ASN  66   2.897  12.307  -7.047
  415   2HD2  ASN  66          2HD2      ASN  66   2.979  13.677  -8.103
  416    H    VAL  67           H        VAL  67  -0.433  13.940  -7.773
  417    HA   VAL  67           HA       VAL  67  -0.173  11.735  -9.374
  418    HB   VAL  67           HB       VAL  67  -2.354  11.060  -8.324
  419   1HG1  VAL  67          1HG1      VAL  67  -3.958  12.609  -8.224
  420   2HG1  VAL  67          2HG1      VAL  67  -3.162  13.626  -9.424
  421   3HG1  VAL  67          3HG1      VAL  67  -4.218  12.314  -9.944
  422   1HG2  VAL  67          1HG2      VAL  67  -2.669   9.764 -10.114
  423   2HG2  VAL  67          2HG2      VAL  67  -3.079  11.137 -11.143
  424   3HG2  VAL  67          3HG2      VAL  67  -1.388  10.701 -10.888
  425    H    GLY  68           H        GLY  68  -1.439  14.930  -8.932
  426   1HA   GLY  68          1HA       GLY  68  -1.461  15.530 -11.765
  427   2HA   GLY  68          2HA       GLY  68  -1.750  16.664 -10.452
  428    H    GLY  69           H        GLY  69   0.921  14.626 -11.636
  429   1HA   GLY  69          1HA       GLY  69   3.130  15.143 -12.048
  430   2HA   GLY  69          2HA       GLY  69   2.689  16.845 -11.971
  431    H    ASN  70           H        ASN  70   3.904  17.831 -10.527
  432    HA   ASN  70           HA       ASN  70   4.843  18.443  -8.563
  433   1HB   ASN  70          1HB       ASN  70   2.511  18.236  -7.778
  434   2HB   ASN  70          2HB       ASN  70   2.806  16.550  -7.369
  435   1HD2  ASN  70          1HD2      ASN  70   4.893  19.365  -6.866
  436   2HD2  ASN  70          2HD2      ASN  70   4.927  19.236  -5.137
  437    H    GLY  71           H        GLY  71   4.101  15.365  -7.100
  438   1HA   GLY  71          1HA       GLY  71   6.304  13.835  -7.592
  439   2HA   GLY  71          2HA       GLY  71   6.866  15.019  -6.417
  440    H    TRP  72           H        TRP  72   6.747  12.243  -5.922
  441    HA   TRP  72           HA       TRP  72   4.321  11.747  -4.428
  442   1HB   TRP  72          1HB       TRP  72   6.802  10.087  -4.868
  443   2HB   TRP  72          2HB       TRP  72   5.419   9.552  -3.919
  444    HD1  TRP  72           HD1      TRP  72   6.784   9.128  -7.205
  445    HE1  TRP  72           HE1      TRP  72   5.004   8.396  -8.908
  446    HE3  TRP  72           HE3      TRP  72   2.553  10.347  -4.574
  447    HZ2  TRP  72           HZ2      TRP  72   2.200   8.326  -9.117
  448    HZ3  TRP  72           HZ3      TRP  72   0.369   9.897  -5.603
  449    HH2  TRP  72           HH2      TRP  72   0.195   8.917  -7.822
  450    H    GLY  73           H        GLY  73   4.630  13.526  -2.982
  451   1HA   GLY  73          1HA       GLY  73   6.871  13.686  -1.236
  452   2HA   GLY  73          2HA       GLY  73   5.374  14.591  -1.113
  453    H    GLU  74           H        GLU  74   7.290  12.416   0.417
  454    HA   GLU  74           HA       GLU  74   5.447  10.593   1.535
  455   1HB   GLU  74          1HB       GLU  74   7.366  10.728   3.441
  456   2HB   GLU  74          2HB       GLU  74   7.516   9.788   1.965
  457   1HG   GLU  74          1HG       GLU  74   8.384  12.597   1.794
  458   2HG   GLU  74          2HG       GLU  74   9.355  11.542   2.823
  459    H    ILE  75           H        ILE  75   3.910  10.881   3.052
  460    HA   ILE  75           HA       ILE  75   4.308  13.061   4.974
  461    HB   ILE  75           HB       ILE  75   2.579  13.993   3.794
  462   1HG1  ILE  75          1HG1      ILE  75   0.634  12.466   5.402
  463   2HG1  ILE  75          2HG1      ILE  75   1.979  13.151   6.308
  464   1HG2  ILE  75          1HG2      ILE  75   2.041  12.493   2.140
  465   2HG2  ILE  75          2HG2      ILE  75   1.647  11.209   3.283
  466   3HG2  ILE  75          3HG2      ILE  75   0.545  12.570   3.075
  467   1HD1  ILE  75          1HD1      ILE  75  -0.306  14.463   5.040
  468   2HD1  ILE  75          2HD1      ILE  75   0.667  14.954   6.428
  469   3HD1  ILE  75          3HD1      ILE  75   1.244  15.267   4.790
  470    H    LYS  76           H        LYS  76   1.940  10.287   4.736
  471    HA   LYS  76           HA       LYS  76   2.386   9.870   7.576
  472   1HB   LYS  76          1HB       LYS  76   0.109   9.690   6.789
  473   2HB   LYS  76          2HB       LYS  76   0.569   8.489   5.592
  474   1HG   LYS  76          1HG       LYS  76  -0.519   7.375   7.400
  475   2HG   LYS  76          2HG       LYS  76   1.194   6.960   7.452
  476   1HD   LYS  76          1HD       LYS  76   1.578   8.448   9.273
  477   2HD   LYS  76          2HD       LYS  76  -0.026   9.163   9.105
  478   1HE   LYS  76          1HE       LYS  76  -0.994   7.546  10.315
  479   2HE   LYS  76          2HE       LYS  76  -0.099   6.274   9.485
  480   1HZ   LYS  76          1HZ       LYS  76   1.211   6.075  11.243
  481   2HZ   LYS  76          2HZ       LYS  76   0.312   7.253  12.063
  482   3HZ   LYS  76          3HZ       LYS  76   1.667   7.705  11.145
  483    H    ARG  77           H        ARG  77   4.060   8.734   8.237
  484    HA   ARG  77           HA       ARG  77   5.331   6.877   6.373
  485   1HB   ARG  77          1HB       ARG  77   6.203   8.542   8.647
  486   2HB   ARG  77          2HB       ARG  77   7.015   6.988   8.491
  487   1HG   ARG  77          1HG       ARG  77   8.175   7.645   6.695
  488   2HG   ARG  77          2HG       ARG  77   6.789   8.473   5.983
  489   1HD   ARG  77          1HD       ARG  77   8.535   9.525   8.203
  490   2HD   ARG  77          2HD       ARG  77   8.582  10.036   6.517
  491    HE   ARG  77           HE       ARG  77   6.025  10.524   7.171
  492   1HH1  ARG  77          1HH1      ARG  77   9.041  11.340   8.752
  493   2HH1  ARG  77          2HH1      ARG  77   8.395  12.770   9.505
  494   1HH2  ARG  77          1HH2      ARG  77   5.193  12.423   8.149
  495   2HH2  ARG  77          2HH2      ARG  77   6.233  13.385   9.165
  496    H    ASN  78           H        ASN  78   4.841   4.805   6.500
  497    HA   ASN  78           HA       ASN  78   4.188   3.621   9.097
  498   1HB   ASN  78          1HB       ASN  78   2.601   2.831   7.622
  499   2HB   ASN  78          2HB       ASN  78   3.701   2.847   6.251
  500   1HD2  ASN  78          1HD2      ASN  78   2.502   1.068   8.954
  501   2HD2  ASN  78          2HD2      ASN  78   3.225  -0.452   8.546
  502    H    ASP  79           H        ASP  79   5.530   2.224  10.101
  503    HA   ASP  79           HA       ASP  79   8.281   2.277   9.238
  504   1HB   ASP  79          1HB       ASP  79   7.050   1.021  11.697
  505   2HB   ASP  79          2HB       ASP  79   8.773   1.255  11.411
  506    H    ILE  80           H        ILE  80   9.553   0.163   9.723
  507    HA   ILE  80           HA       ILE  80   8.606  -1.705   7.754
  508    HB   ILE  80           HB       ILE  80  10.963  -1.044   7.791
  509   1HG1  ILE  80          1HG1      ILE  80  10.437  -3.954   8.397
  510   2HG1  ILE  80          2HG1      ILE  80  10.506  -3.186   6.814
  511   1HG2  ILE  80          1HG2      ILE  80  12.191  -0.932   9.638
  512   2HG2  ILE  80          2HG2      ILE  80  10.747  -1.370  10.554
  513   3HG2  ILE  80          3HG2      ILE  80  11.866  -2.625  10.021
  514   1HD1  ILE  80          1HD1      ILE  80  12.502  -4.556   7.438
  515   2HD1  ILE  80          2HD1      ILE  80  12.851  -2.893   6.971
  516   3HD1  ILE  80          3HD1      ILE  80  12.860  -3.350   8.676
  517    H    ASP  81           H        ASP  81   7.924  -3.734   8.030
  518    HA   ASP  81           HA       ASP  81   6.766  -5.411   8.996
  519   1HB   ASP  81          1HB       ASP  81   9.312  -5.518  10.037
  520   2HB   ASP  81          2HB       ASP  81   8.305  -5.549  11.483
  521    H    LYS  82           H        LYS  82   5.449  -3.226   9.256
  522    HA   LYS  82           HA       LYS  82   4.191  -3.390  11.867
  523   1HB   LYS  82          1HB       LYS  82   5.117  -1.543  12.727
  524   2HB   LYS  82          2HB       LYS  82   6.092  -1.351  11.283
  525   1HG   LYS  82          1HG       LYS  82   5.017   0.508  10.793
  526   2HG   LYS  82          2HG       LYS  82   3.497  -0.380  10.697
  527   1HD   LYS  82          1HD       LYS  82   3.576   1.579  12.313
  528   2HD   LYS  82          2HD       LYS  82   2.980   0.050  12.954
  529   1HE   LYS  82          1HE       LYS  82   4.641  -0.076  14.447
  530   2HE   LYS  82          2HE       LYS  82   5.859   0.332  13.239
  531   1HZ   LYS  82          1HZ       LYS  82   5.411   1.918  15.227
  532   2HZ   LYS  82          2HZ       LYS  82   4.111   2.449  14.286
  533   3HZ   LYS  82          3HZ       LYS  82   5.691   2.559  13.681
  534    HA   PRO  83           HA       PRO  83   0.782  -2.247   9.200
  535   1HB   PRO  83          1HB       PRO  83  -1.127  -2.564  11.179
  536   2HB   PRO  83          2HB       PRO  83  -0.453  -3.876  10.210
  537   1HG   PRO  83          1HG       PRO  83  -0.132  -3.437  13.012
  538   2HG   PRO  83          2HG       PRO  83   0.614  -4.700  12.024
  539   1HD   PRO  83          1HD       PRO  83   1.730  -2.104  12.937
  540   2HD   PRO  83          2HD       PRO  83   2.570  -3.629  12.561
  541    H    LEU  84           H        LEU  84  -0.329  -0.381   8.746
  542    HA   LEU  84           HA       LEU  84  -0.655   1.502  10.969
  543   1HB   LEU  84          1HB       LEU  84  -0.219   3.375   9.655
  544   2HB   LEU  84          2HB       LEU  84   1.030   2.234   9.235
  545    HG   LEU  84           HG       LEU  84   0.482   3.259   7.227
  546   1HD1  LEU  84          1HD1      LEU  84  -0.062   1.557   5.845
  547   2HD1  LEU  84          2HD1      LEU  84   0.262   0.649   7.321
  548   3HD1  LEU  84          3HD1      LEU  84  -1.400   1.006   6.855
  549   1HD2  LEU  84          1HD2      LEU  84  -1.971   3.809   8.422
  550   2HD2  LEU  84          2HD2      LEU  84  -1.397   4.349   6.844
  551   3HD2  LEU  84          3HD2      LEU  84  -2.353   2.874   6.976
  552    H    LYS  85           H        LYS  85  -2.599   2.361  11.310
  553    HA   LYS  85           HA       LYS  85  -4.778   1.253   9.711
  554   1HB   LYS  85          1HB       LYS  85  -4.456   1.296  12.410
  555   2HB   LYS  85          2HB       LYS  85  -5.435   2.738  12.177
  556   1HG   LYS  85          1HG       LYS  85  -6.766   0.940  10.639
  557   2HG   LYS  85          2HG       LYS  85  -6.151  -0.091  11.932
  558   1HD   LYS  85          1HD       LYS  85  -7.736   0.654  13.298
  559   2HD   LYS  85          2HD       LYS  85  -7.154   2.308  13.091
  560   1HE   LYS  85          1HE       LYS  85  -8.581   2.650  11.206
  561   2HE   LYS  85          2HE       LYS  85  -9.016   0.943  11.156
  562   1HZ   LYS  85          1HZ       LYS  85  -9.732   2.886  13.285
  563   2HZ   LYS  85          2HZ       LYS  85 -10.077   1.225  13.341
  564   3HZ   LYS  85          3HZ       LYS  85 -10.788   2.199  12.146
  565    H    TYR  86           H        TYR  86  -6.798   2.818   9.880
  566    HA   TYR  86           HA       TYR  86  -5.908   5.310   8.603
  567   1HB   TYR  86          1HB       TYR  86  -8.070   5.101   7.300
  568   2HB   TYR  86          2HB       TYR  86  -6.861   3.872   6.944
  569    HD1  TYR  86           HD1      TYR  86 -10.168   4.516   8.345
  570    HD2  TYR  86           HD2      TYR  86  -7.182   1.550   7.717
  571    HE1  TYR  86           HE1      TYR  86 -11.814   2.759   8.841
  572    HE2  TYR  86           HE2      TYR  86  -8.822  -0.213   8.211
  573    HH   TYR  86           HH       TYR  86 -11.476  -0.367   8.047
  574    H    GLU  87           H        GLU  87  -7.201   7.169   8.874
  575    HA   GLU  87           HA       GLU  87  -9.114   7.096  11.093
  576   1HB   GLU  87          1HB       GLU  87  -7.189   8.884  10.722
  577   2HB   GLU  87          2HB       GLU  87  -8.372   9.613   9.649
  578   1HG   GLU  87          1HG       GLU  87  -9.960   9.787  11.476
  579   2HG   GLU  87          2HG       GLU  87  -8.816   8.995  12.559
  580    H    ASP  88           H        ASP  88  -8.836   8.611   7.883
  581    HA   ASP  88           HA       ASP  88 -11.402   7.462   7.104
  582   1HB   ASP  88          1HB       ASP  88 -11.821   9.776   8.068
  583   2HB   ASP  88          2HB       ASP  88 -10.869  10.415   6.731
  584    H    TYR  89           H        TYR  89 -11.322   6.763   5.022
  585    HA   TYR  89           HA       TYR  89  -8.902   7.495   3.529
  586   1HB   TYR  89          1HB       TYR  89  -9.536   5.392   2.154
  587   2HB   TYR  89          2HB       TYR  89  -8.793   5.207   3.733
  588    HD1  TYR  89           HD1      TYR  89 -11.963   4.938   1.859
  589    HD2  TYR  89           HD2      TYR  89  -9.936   4.120   5.508
  590    HE1  TYR  89           HE1      TYR  89 -13.780   3.418   2.521
  591    HE2  TYR  89           HE2      TYR  89 -11.748   2.604   6.181
  592    HH   TYR  89           HH       TYR  89 -13.544   1.142   4.728
  593    H    TYR  90           H        TYR  90 -11.270   9.126   3.570
  594    HA   TYR  90           HA       TYR  90 -12.196  10.587   2.114
  595   1HB   TYR  90          1HB       TYR  90 -10.799   9.053  -0.086
  596   2HB   TYR  90          2HB       TYR  90 -11.505  10.659  -0.214
  597    HD1  TYR  90           HD1      TYR  90  -8.523   8.917   0.166
  598    HD2  TYR  90           HD2      TYR  90 -10.530  12.378   1.615
  599    HE1  TYR  90           HE1      TYR  90  -6.361   9.898   0.796
  600    HE2  TYR  90           HE2      TYR  90  -8.370  13.368   2.252
  601    HH   TYR  90           HH       TYR  90  -5.598  11.669   2.582
  602    H    THR  91           H        THR  91 -14.298  10.322   2.172
  603    HA   THR  91           HA       THR  91 -15.705   8.014   1.407
  604    HB   THR  91           HB       THR  91 -16.315  10.491   2.604
  605    HG1  THR  91           HG1      THR  91 -17.117   8.648   3.469
  606   1HG2  THR  91          1HG2      THR  91 -18.043  11.494   1.500
  607   2HG2  THR  91          2HG2      THR  91 -18.522  10.011   0.674
  608   3HG2  THR  91          3HG2      THR  91 -17.124  10.923   0.106
  609    H    SER  92           H        SER  92 -14.528  10.702  -0.416
  610    HA   SER  92           HA       SER  92 -16.249  10.324  -2.684
  611   1HB   SER  92          1HB       SER  92 -14.008  11.873  -3.407
  612   2HB   SER  92          2HB       SER  92 -15.610  12.459  -2.951
  613    HG   SER  92           HG       SER  92 -14.456  13.364  -1.404
  614    H    GLY  93           H        GLY  93 -13.552   8.677  -1.548
  615   1HA   GLY  93          1HA       GLY  93 -12.198   7.077  -2.507
  616   2HA   GLY  93          2HA       GLY  93 -13.234   7.155  -3.925
  617    H    LEU  94           H        LEU  94 -10.922   9.286  -2.279
  618    HA   LEU  94           HA       LEU  94 -10.172  10.572  -4.720
  619   1HB   LEU  94          1HB       LEU  94 -10.173  11.454  -2.251
  620   2HB   LEU  94          2HB       LEU  94  -8.565  10.759  -2.206
  621    HG   LEU  94           HG       LEU  94  -8.225  12.188  -4.392
  622   1HD1  LEU  94          1HD1      LEU  94  -9.513  14.429  -3.790
  623   2HD1  LEU  94          2HD1      LEU  94 -10.195  13.212  -4.869
  624   3HD1  LEU  94          3HD1      LEU  94 -10.701  13.277  -3.180
  625   1HD2  LEU  94          1HD2      LEU  94  -7.726  14.178  -2.748
  626   2HD2  LEU  94          2HD2      LEU  94  -8.069  12.958  -1.521
  627   3HD2  LEU  94          3HD2      LEU  94  -6.778  12.691  -2.695
  628    H    SER  95           H        SER  95  -7.939  10.697  -5.489
  629    HA   SER  95           HA       SER  95  -6.779   8.079  -5.728
  630   1HB   SER  95          1HB       SER  95  -5.273  10.350  -6.828
  631   2HB   SER  95          2HB       SER  95  -5.865   8.895  -7.631
  632    HG   SER  95           HG       SER  95  -8.008   9.928  -7.498
  633    H    TRP  96           H        TRP  96  -5.039   7.316  -4.690
  634    HA   TRP  96           HA       TRP  96  -3.202   9.069  -3.313
  635   1HB   TRP  96          1HB       TRP  96  -3.514   7.940  -1.125
  636   2HB   TRP  96          2HB       TRP  96  -4.954   8.821  -1.624
  637    HD1  TRP  96           HD1      TRP  96  -7.093   7.346  -2.364
  638    HE1  TRP  96           HE1      TRP  96  -7.761   4.928  -1.798
  639    HE3  TRP  96           HE3      TRP  96  -2.587   5.654  -0.656
  640    HZ2  TRP  96           HZ2      TRP  96  -6.537   2.604  -0.764
  641    HZ3  TRP  96           HZ3      TRP  96  -2.421   3.319   0.106
  642    HH2  TRP  96           HH2      TRP  96  -4.353   1.828   0.056
  643    H    ILE  97           H        ILE  97  -1.494   7.624  -2.156
  644    HA   ILE  97           HA       ILE  97  -1.005   5.255  -3.825
  645    HB   ILE  97           HB       ILE  97   0.105   7.142  -4.890
  646   1HG1  ILE  97          1HG1      ILE  97   1.787   5.044  -3.563
  647   2HG1  ILE  97          2HG1      ILE  97   1.327   5.187  -5.257
  648   1HG2  ILE  97          1HG2      ILE  97   0.831   7.768  -2.150
  649   2HG2  ILE  97          2HG2      ILE  97   2.189   7.882  -3.272
  650   3HG2  ILE  97          3HG2      ILE  97   0.720   8.811  -3.568
  651   1HD1  ILE  97          1HD1      ILE  97   2.862   7.458  -4.654
  652   2HD1  ILE  97          2HD1      ILE  97   3.696   6.074  -3.945
  653   3HD1  ILE  97          3HD1      ILE  97   3.304   6.081  -5.664
  654    H    TRP  98           H        TRP  98  -0.150   3.578  -2.783
  655    HA   TRP  98           HA       TRP  98   0.991   3.856  -0.123
  656   1HB   TRP  98          1HB       TRP  98   0.341   1.575  -1.955
  657   2HB   TRP  98          2HB       TRP  98   1.575   1.325  -0.732
  658    HD1  TRP  98           HD1      TRP  98  -1.498   0.050  -1.002
  659    HE1  TRP  98           HE1      TRP  98  -2.939   0.063   1.127
  660    HE3  TRP  98           HE3      TRP  98   0.977   3.672   1.641
  661    HZ2  TRP  98           HZ2      TRP  98  -3.021   1.420   3.596
  662    HZ3  TRP  98           HZ3      TRP  98   0.152   4.256   3.877
  663    HH2  TRP  98           HH2      TRP  98  -1.807   3.153   4.837
  664    H    LYS  99           H        LYS  99   2.794   5.159  -0.489
  665    HA   LYS  99           HA       LYS  99   4.618   4.460  -2.644
  666   1HB   LYS  99          1HB       LYS  99   3.954   6.827  -2.098
  667   2HB   LYS  99          2HB       LYS  99   4.897   6.676  -0.620
  668   1HG   LYS  99          1HG       LYS  99   6.845   6.049  -2.149
  669   2HG   LYS  99          2HG       LYS  99   5.850   6.693  -3.458
  670   1HD   LYS  99          1HD       LYS  99   6.578   8.724  -2.939
  671   2HD   LYS  99          2HD       LYS  99   5.733   8.587  -1.394
  672   1HE   LYS  99          1HE       LYS  99   7.632   8.128  -0.245
  673   2HE   LYS  99          2HE       LYS  99   8.365   7.258  -1.592
  674   1HZ   LYS  99          1HZ       LYS  99   9.350   9.099  -2.358
  675   2HZ   LYS  99          2HZ       LYS  99   9.101   9.704  -0.792
  676   3HZ   LYS  99          3HZ       LYS  99   8.012  10.096  -2.032
  677    H    ILE 100           H        ILE 100   5.914   2.776  -2.206
  678    HA   ILE 100           HA       ILE 100   6.967   2.477   0.493
  679    HB   ILE 100           HB       ILE 100   8.017   0.553  -1.401
  680   1HG1  ILE 100          1HG1      ILE 100   5.006   0.637  -1.091
  681   2HG1  ILE 100          2HG1      ILE 100   5.880   1.015  -2.573
  682   1HG2  ILE 100          1HG2      ILE 100   6.316   0.327   1.074
  683   2HG2  ILE 100          2HG2      ILE 100   7.099  -1.024   0.256
  684   3HG2  ILE 100          3HG2      ILE 100   8.077   0.247   0.991
  685   1HD1  ILE 100          1HD1      ILE 100   6.349  -1.626  -1.295
  686   2HD1  ILE 100          2HD1      ILE 100   4.834  -1.356  -2.163
  687   3HD1  ILE 100          3HD1      ILE 100   6.374  -1.169  -2.999
  688    H    LYS 101           H        LYS 101   8.643   3.688   0.949
  689    HA   LYS 101           HA       LYS 101  10.733   4.139  -1.042
  690   1HB   LYS 101          1HB       LYS 101  10.168   6.128   0.094
  691   2HB   LYS 101          2HB       LYS 101  10.106   5.324   1.654
  692   1HG   LYS 101          1HG       LYS 101  12.605   4.974   1.413
  693   2HG   LYS 101          2HG       LYS 101  12.527   6.105   0.061
  694   1HD   LYS 101          1HD       LYS 101  11.112   7.372   2.081
  695   2HD   LYS 101          2HD       LYS 101  12.472   6.619   2.917
  696   1HE   LYS 101          1HE       LYS 101  13.378   8.649   2.311
  697   2HE   LYS 101          2HE       LYS 101  13.868   7.631   0.959
  698   1HZ   LYS 101          1HZ       LYS 101  12.292   8.571  -0.435
  699   2HZ   LYS 101          2HZ       LYS 101  12.845   9.905   0.460
  700   3HZ   LYS 101          3HZ       LYS 101  11.357   9.188   0.844
  701    H    ASN 102           H        ASN 102  12.544   2.984  -1.065
  702    HA   ASN 102           HA       ASN 102  12.909   1.024   1.100
  703   1HB   ASN 102          1HB       ASN 102  12.286   0.129  -1.135
  704   2HB   ASN 102          2HB       ASN 102  13.770   0.819  -1.792
  705   1HD2  ASN 102          1HD2      ASN 102  14.791  -1.025  -2.333
  706   2HD2  ASN 102          2HD2      ASN 102  15.276  -2.234  -1.190
  707    H    ASN 103           H        ASN 103  14.786   0.933   2.180
  708    HA   ASN 103           HA       ASN 103  16.851   2.872   1.382
  709   1HB   ASN 103          1HB       ASN 103  16.571   1.616   4.106
  710   2HB   ASN 103          2HB       ASN 103  17.492   3.047   3.661
  711   1HD2  ASN 103          1HD2      ASN 103  15.156   2.316   5.518
  712   2HD2  ASN 103          2HD2      ASN 103  14.030   3.611   5.241
  713    H    SER 104           H        SER 104  16.316  -0.441   1.348
  714    HA   SER 104           HA       SER 104  18.937  -1.251   2.196
  715   1HB   SER 104          1HB       SER 104  18.140  -3.453   0.967
  716   2HB   SER 104          2HB       SER 104  17.461  -2.995   2.528
  717    HG   SER 104           HG       SER 104  15.601  -2.421   1.586
  718    H    SER 105           H        SER 105  20.565  -2.197   0.845
  719    HA   SER 105           HA       SER 105  20.943  -0.649  -1.549
  720   1HB   SER 105          1HB       SER 105  22.942  -2.690  -1.117
  721   2HB   SER 105          2HB       SER 105  23.103  -0.934  -1.039
  722    HG   SER 105           HG       SER 105  22.938  -0.999   1.065
  723    H    GLU 106           H        GLU 106  19.799  -3.806  -0.835
  724    HA   GLU 106           HA       GLU 106  20.303  -4.653  -3.602
  725   1HB   GLU 106          1HB       GLU 106  20.955  -6.683  -2.886
  726   2HB   GLU 106          2HB       GLU 106  21.233  -5.857  -1.364
  727   1HG   GLU 106          1HG       GLU 106  19.694  -7.070  -0.325
  728   2HG   GLU 106          2HG       GLU 106  18.503  -6.781  -1.593
  729    H    THR 107           H        THR 107  18.671  -6.329  -4.376
  730    HA   THR 107           HA       THR 107  16.092  -5.211  -4.388
  731    HB   THR 107           HB       THR 107  15.845  -7.892  -5.181
  732    HG1  THR 107           HG1      THR 107  17.889  -8.431  -5.457
  733   1HG2  THR 107          1HG2      THR 107  16.029  -5.231  -6.449
  734   2HG2  THR 107          2HG2      THR 107  14.807  -6.490  -6.629
  735   3HG2  THR 107          3HG2      THR 107  16.334  -6.613  -7.501
  736    H    SER 108           H        SER 108  14.832  -5.162  -2.650
  737    HA   SER 108           HA       SER 108  14.918  -7.384  -0.753
  738   1HB   SER 108          1HB       SER 108  13.193  -5.314   0.135
  739   2HB   SER 108          2HB       SER 108  14.794  -5.733   0.749
  740    HG   SER 108           HG       SER 108  15.379  -3.870  -0.028
  741    H    ASN 109           H        ASN 109  13.091  -8.506  -0.108
  742    HA   ASN 109           HA       ASN 109  10.796  -8.288  -1.919
  743   1HB   ASN 109          1HB       ASN 109  11.682 -10.505  -1.945
  744   2HB   ASN 109          2HB       ASN 109  11.797 -10.555  -0.190
  745   1HD2  ASN 109          1HD2      ASN 109   9.115  -9.529  -2.270
  746   2HD2  ASN 109          2HD2      ASN 109   7.982 -10.698  -1.672
  747    H    TYR 110           H        TYR 110   9.171  -7.137  -1.164
  748    HA   TYR 110           HA       TYR 110   8.784  -6.939   1.730
  749   1HB   TYR 110          1HB       TYR 110   7.225  -5.071   1.155
  750   2HB   TYR 110          2HB       TYR 110   8.888  -4.797   0.648
  751    HD1  TYR 110           HD1      TYR 110   5.457  -5.398  -0.475
  752    HD2  TYR 110           HD2      TYR 110   9.474  -4.752  -1.723
  753    HE1  TYR 110           HE1      TYR 110   4.669  -4.941  -2.757
  754    HE2  TYR 110           HE2      TYR 110   8.694  -4.297  -4.010
  755    HH   TYR 110           HH       TYR 110   5.285  -4.649  -4.890
  756    H    SER 111           H        SER 111   6.842  -7.428   2.717
  757    HA   SER 111           HA       SER 111   4.845  -8.782   1.021
  758   1HB   SER 111          1HB       SER 111   4.902  -9.399   3.923
  759   2HB   SER 111          2HB       SER 111   4.601 -10.463   2.549
  760    HG   SER 111           HG       SER 111   7.128  -9.596   2.453
  761    H    LEU 112           H        LEU 112   3.730  -6.841   0.663
  762    HA   LEU 112           HA       LEU 112   2.810  -5.274   2.917
  763   1HB   LEU 112          1HB       LEU 112   3.141  -4.878   0.122
  764   2HB   LEU 112          2HB       LEU 112   1.446  -4.621   0.490
  765    HG   LEU 112           HG       LEU 112   3.779  -3.173   1.747
  766   1HD1  LEU 112          1HD1      LEU 112   3.611  -2.025  -0.180
  767   2HD1  LEU 112          2HD1      LEU 112   1.994  -2.637  -0.525
  768   3HD1  LEU 112          3HD1      LEU 112   2.208  -1.297   0.601
  769   1HD2  LEU 112          1HD2      LEU 112   1.340  -3.690   2.912
  770   2HD2  LEU 112          2HD2      LEU 112   2.422  -2.358   3.322
  771   3HD2  LEU 112          3HD2      LEU 112   1.106  -2.104   2.176
  772    H    ASP 113           H        ASP 113   1.376  -6.416   4.125
  773    HA   ASP 113           HA       ASP 113  -0.836  -7.805   2.841
  774   1HB   ASP 113          1HB       ASP 113   0.327  -7.706   5.561
  775   2HB   ASP 113          2HB       ASP 113  -1.421  -7.893   5.498
  776    H    ALA 114           H        ALA 114  -2.271  -6.397   1.999
  777    HA   ALA 114           HA       ALA 114  -3.363  -4.348   3.817
  778   1HB   ALA 114          1HB       ALA 114  -3.452  -2.747   2.119
  779   2HB   ALA 114          2HB       ALA 114  -1.880  -3.512   1.892
  780   3HB   ALA 114          3HB       ALA 114  -3.233  -3.948   0.847
  781    H    THR 115           H        THR 115  -5.587  -4.028   3.756
  782    HA   THR 115           HA       THR 115  -7.074  -6.237   2.576
  783    HB   THR 115           HB       THR 115  -8.581  -4.172   4.036
  784    HG1  THR 115           HG1      THR 115  -6.256  -5.245   5.059
  785   1HG2  THR 115          1HG2      THR 115  -9.321  -6.516   3.303
  786   2HG2  THR 115          2HG2      THR 115  -9.714  -6.012   4.948
  787   3HG2  THR 115          3HG2      THR 115  -8.356  -7.102   4.657
  788    H    VAL 116           H        VAL 116  -7.068  -5.747   0.415
  789    HA   VAL 116           HA       VAL 116  -8.366  -3.236  -0.395
  790    HB   VAL 116           HB       VAL 116  -5.869  -3.885  -1.067
  791   1HG1  VAL 116          1HG1      VAL 116  -7.559  -5.245  -3.164
  792   2HG1  VAL 116          2HG1      VAL 116  -5.871  -4.788  -3.406
  793   3HG1  VAL 116          3HG1      VAL 116  -6.297  -5.962  -2.161
  794   1HG2  VAL 116          1HG2      VAL 116  -6.103  -1.953  -2.119
  795   2HG2  VAL 116          2HG2      VAL 116  -6.970  -2.751  -3.430
  796   3HG2  VAL 116          3HG2      VAL 116  -7.856  -2.126  -2.040
  797    H    HIS 117           H        HIS 117  -9.700  -3.320  -2.288
  798    HA   HIS 117           HA       HIS 117 -10.967  -5.943  -2.635
  799   1HB   HIS 117          1HB       HIS 117 -12.214  -3.657  -1.988
  800   2HB   HIS 117          2HB       HIS 117 -12.234  -3.487  -3.741
  801    HD1  HIS 117           HD1      HIS 117 -13.473  -5.465  -5.086
  802    HD2  HIS 117           HD2      HIS 117 -14.074  -5.383  -0.962
  803    HE1  HIS 117           HE1      HIS 117 -15.468  -6.934  -4.650
  804    HE2  HIS 117           HE2      HIS 117 -15.835  -6.853  -2.158
  805    H    ASP 118           H        ASP 118 -10.914  -6.935  -4.513
  806    HA   ASP 118           HA       ASP 118 -10.794  -7.334  -6.750
  807   1HB   ASP 118          1HB       ASP 118 -10.808  -4.346  -6.819
  808   2HB   ASP 118          2HB       ASP 118 -10.364  -5.230  -8.274
  809    H    ASP 119           H        ASP 119  -8.675  -8.039  -5.458
  810    HA   ASP 119           HA       ASP 119  -6.322  -6.837  -6.692
  811   1HB   ASP 119          1HB       ASP 119  -4.999  -8.186  -5.221
  812   2HB   ASP 119          2HB       ASP 119  -6.323  -7.530  -4.268
  813    H    LYS 120           H        LYS 120  -8.114  -9.877  -6.686
  814    HA   LYS 120           HA       LYS 120  -8.364 -11.518  -8.228
  815   1HB   LYS 120          1HB       LYS 120  -8.567  -9.286  -9.623
  816   2HB   LYS 120          2HB       LYS 120  -7.068  -9.858 -10.343
  817   1HG   LYS 120          1HG       LYS 120  -8.564 -12.094 -10.505
  818   2HG   LYS 120          2HG       LYS 120  -9.817 -10.859 -10.641
  819   1HD   LYS 120          1HD       LYS 120  -9.273 -10.643 -12.789
  820   2HD   LYS 120          2HD       LYS 120  -7.720  -9.986 -12.274
  821   1HE   LYS 120          1HE       LYS 120  -6.993 -12.449 -12.068
  822   2HE   LYS 120          2HE       LYS 120  -8.412 -12.797 -13.051
  823   1HZ   LYS 120          1HZ       LYS 120  -7.328 -10.871 -14.498
  824   2HZ   LYS 120          2HZ       LYS 120  -6.925 -12.504 -14.703
  825   3HZ   LYS 120          3HZ       LYS 120  -5.914 -11.493 -13.791
  826    H    GLU 121           H        GLU 121  -5.619 -11.020  -6.876
  827    HA   GLU 121           HA       GLU 121  -3.472 -11.769  -6.940
  828   1HB   GLU 121          1HB       GLU 121  -5.093 -13.922  -7.474
  829   2HB   GLU 121          2HB       GLU 121  -3.963 -13.972  -8.820
  830   1HG   GLU 121          1HG       GLU 121  -2.246 -13.607  -6.784
  831   2HG   GLU 121          2HG       GLU 121  -3.528 -14.490  -5.956
  832    H    ASP 122           H        ASP 122  -4.306  -9.843  -8.930
  833    HA   ASP 122           HA       ASP 122  -2.299 -10.404 -11.018
  834   1HB   ASP 122          1HB       ASP 122  -5.046 -10.234 -11.446
  835   2HB   ASP 122          2HB       ASP 122  -4.444  -8.645 -11.908
  836    H    SER 123           H        SER 123  -4.226  -7.930  -9.391
  837    HA   SER 123           HA       SER 123  -3.796  -5.829  -8.689
  838   1HB   SER 123          1HB       SER 123  -0.855  -6.221  -9.173
  839   2HB   SER 123          2HB       SER 123  -1.659  -5.282  -7.914
  840    HG   SER 123           HG       SER 123  -1.473  -8.101  -8.139
  841    H    ASP 124           H        ASP 124  -2.418  -3.745  -9.396
  842    HA   ASP 124           HA       ASP 124  -2.048  -3.680 -12.285
  843   1HB   ASP 124          1HB       ASP 124  -4.457  -2.894 -11.341
  844   2HB   ASP 124          2HB       ASP 124  -3.567  -1.377 -11.223
  845    H    VAL 125           H        VAL 125   0.119  -3.604 -11.319
  846    HA   VAL 125           HA       VAL 125   0.880  -0.814 -10.795
  847    HB   VAL 125           HB       VAL 125   2.814  -2.044  -9.405
  848   1HG1  VAL 125          1HG1      VAL 125   2.007  -0.771  -7.770
  849   2HG1  VAL 125          2HG1      VAL 125   0.660  -0.399  -8.847
  850   3HG1  VAL 125          3HG1      VAL 125   0.516  -1.708  -7.675
  851   1HG2  VAL 125          1HG2      VAL 125   0.576  -3.632  -8.322
  852   2HG2  VAL 125          2HG2      VAL 125   1.253  -4.198  -9.849
  853   3HG2  VAL 125          3HG2      VAL 125   2.294  -4.018  -8.436
  854    H    LEU 126           H        LEU 126   0.962  -1.588 -13.256
  855    HA   LEU 126           HA       LEU 126   3.453  -2.859 -13.965
  856   1HB   LEU 126          1HB       LEU 126   1.020  -2.501 -15.221
  857   2HB   LEU 126          2HB       LEU 126   2.074  -1.390 -16.075
  858    HG   LEU 126           HG       LEU 126   3.491  -3.821 -15.858
  859   1HD1  LEU 126          1HD1      LEU 126   1.297  -4.756 -17.399
  860   2HD1  LEU 126          2HD1      LEU 126   2.012  -5.469 -15.953
  861   3HD1  LEU 126          3HD1      LEU 126   0.698  -4.303 -15.804
  862   1HD2  LEU 126          1HD2      LEU 126   2.027  -2.839 -18.289
  863   2HD2  LEU 126          2HD2      LEU 126   3.443  -2.004 -17.650
  864   3HD2  LEU 126          3HD2      LEU 126   3.577  -3.675 -18.199
  865    H    THR 127           H        THR 127   5.111  -1.832 -15.205
  866    HA   THR 127           HA       THR 127   6.719  -0.260 -15.476
  867    HB   THR 127           HB       THR 127   5.031   2.114 -15.553
  868    HG1  THR 127           HG1      THR 127   3.411   0.580 -16.128
  869   1HG2  THR 127          1HG2      THR 127   6.249   2.578 -17.434
  870   2HG2  THR 127          2HG2      THR 127   6.268   0.896 -17.969
  871   3HG2  THR 127          3HG2      THR 127   7.337   1.421 -16.669
  872    H    LYS 128           H        LYS 128   6.398   2.596 -14.654
  873    HA   LYS 128           HA       LYS 128   5.922   2.563 -11.824
  874   1HB   LYS 128          1HB       LYS 128   8.289   3.538 -11.414
  875   2HB   LYS 128          2HB       LYS 128   8.106   1.793 -11.536
  876   1HG   LYS 128          1HG       LYS 128   9.764   1.874 -13.012
  877   2HG   LYS 128          2HG       LYS 128   8.587   2.553 -14.137
  878   1HD   LYS 128          1HD       LYS 128   9.246   4.778 -13.618
  879   2HD   LYS 128          2HD       LYS 128  10.210   4.240 -12.240
  880   1HE   LYS 128          1HE       LYS 128  11.115   2.867 -14.559
  881   2HE   LYS 128          2HE       LYS 128  11.013   4.586 -14.938
  882   1HZ   LYS 128          1HZ       LYS 128  13.085   3.410 -13.700
  883   2HZ   LYS 128          2HZ       LYS 128  12.206   3.994 -12.373
  884   3HZ   LYS 128          3HZ       LYS 128  12.716   5.061 -13.588
  885    H    CYS 129           H        CYS 129   6.044   4.705 -10.905
  886    HA   CYS 129           HA       CYS 129   5.554   6.790 -12.884
  887   1HB   CYS 129          1HB       CYS 129   5.362   7.430 -10.008
  888   2HB   CYS 129          2HB       CYS 129   4.225   7.760 -11.313
  889    HA   PRO 130           HA       PRO 130   9.351   8.974 -12.225
  890   1HB   PRO 130          1HB       PRO 130   8.703  11.507 -11.462
  891   2HB   PRO 130          2HB       PRO 130   8.506  10.902 -13.109
  892   1HG   PRO 130          1HG       PRO 130   6.469  11.176 -10.934
  893   2HG   PRO 130          2HG       PRO 130   6.328  11.573 -12.658
  894   1HD   PRO 130          1HD       PRO 130   5.316   9.299 -11.626
  895   2HD   PRO 130          2HD       PRO 130   5.988   9.372 -13.267
  896    H    VAL 131           H        VAL 131   9.132   7.407 -10.039
  897    HA   VAL 131           HA       VAL 131  10.145   9.199  -7.929
  898    HB   VAL 131           HB       VAL 131   9.980   6.554  -6.930
  899   1HG1  VAL 131          1HG1      VAL 131   9.788   8.348  -5.449
  900   2HG1  VAL 131          2HG1      VAL 131   8.525   9.122  -6.405
  901   3HG1  VAL 131          3HG1      VAL 131   8.165   7.658  -5.492
  902   1HG2  VAL 131          1HG2      VAL 131   7.543   6.128  -7.113
  903   2HG2  VAL 131          2HG2      VAL 131   7.439   7.421  -8.305
  904   3HG2  VAL 131          3HG2      VAL 131   8.392   5.978  -8.652
  Start of MODEL   10
    1   1H    ARG  14          1H        ARG  14  -2.533   0.806 -11.028
    2    HA   ARG  14           HA       ARG  14  -2.221   1.752  -8.351
    3   1HB   ARG  14          1HB       ARG  14  -3.339   3.696  -9.584
    4   2HB   ARG  14          2HB       ARG  14  -4.742   2.650  -9.749
    5   1HG   ARG  14          1HG       ARG  14  -4.395   2.429  -7.118
    6   2HG   ARG  14          2HG       ARG  14  -3.663   4.017  -7.354
    7   1HD   ARG  14          1HD       ARG  14  -5.680   4.941  -7.464
    8   2HD   ARG  14          2HD       ARG  14  -6.080   3.926  -8.848
    9    HE   ARG  14           HE       ARG  14  -6.551   2.234  -6.859
   10   1HH1  ARG  14          1HH1      ARG  14  -7.411   5.618  -7.157
   11   2HH1  ARG  14          2HH1      ARG  14  -8.880   5.453  -6.244
   12   1HH2  ARG  14          1HH2      ARG  14  -8.480   2.008  -5.656
   13   2HH2  ARG  14          2HH2      ARG  14  -9.485   3.395  -5.385
   14    H    ILE  15           H        ILE  15  -3.553   0.639  -6.892
   15    HA   ILE  15           HA       ILE  15  -4.882  -1.703  -8.006
   16    HB   ILE  15           HB       ILE  15  -3.285  -1.321  -5.739
   17   1HG1  ILE  15          1HG1      ILE  15  -4.937  -3.770  -5.865
   18   2HG1  ILE  15          2HG1      ILE  15  -4.046  -3.366  -7.328
   19   1HG2  ILE  15          1HG2      ILE  15  -4.937  -2.356  -4.014
   20   2HG2  ILE  15          2HG2      ILE  15  -4.873  -0.607  -4.239
   21   3HG2  ILE  15          3HG2      ILE  15  -6.162  -1.547  -4.991
   22   1HD1  ILE  15          1HD1      ILE  15  -2.027  -3.122  -5.726
   23   2HD1  ILE  15          2HD1      ILE  15  -3.015  -4.082  -4.623
   24   3HD1  ILE  15          3HD1      ILE  15  -2.574  -4.730  -6.203
   25    HA   PRO  16           HA       PRO  16  -8.886   0.102  -7.601
   26   1HB   PRO  16          1HB       PRO  16  -9.852  -2.661  -7.152
   27   2HB   PRO  16          2HB       PRO  16 -10.289  -1.500  -8.411
   28   1HG   PRO  16          1HG       PRO  16  -8.752  -3.598  -8.987
   29   2HG   PRO  16          2HG       PRO  16  -8.436  -2.011  -9.715
   30   1HD   PRO  16          1HD       PRO  16  -7.054  -3.341  -7.407
   31   2HD   PRO  16          2HD       PRO  16  -6.351  -2.461  -8.781
   32    H    ASN  17           H        ASN  17  -8.952  -2.769  -5.437
   33    HA   ASN  17           HA       ASN  17  -9.632  -0.981  -3.216
   34   1HB   ASN  17          1HB       ASN  17 -11.612  -2.474  -2.690
   35   2HB   ASN  17          2HB       ASN  17 -11.789  -1.423  -4.091
   36   1HD2  ASN  17          1HD2      ASN  17 -13.170  -2.562  -5.304
   37   2HD2  ASN  17          2HD2      ASN  17 -12.877  -4.161  -5.896
   38    H    ILE  18           H        ILE  18  -7.715  -3.417  -4.153
   39    HA   ILE  18           HA       ILE  18  -7.283  -4.157  -1.386
   40    HB   ILE  18           HB       ILE  18  -8.686  -5.978  -1.964
   41   1HG1  ILE  18          1HG1      ILE  18  -5.768  -6.733  -2.105
   42   2HG1  ILE  18          2HG1      ILE  18  -6.814  -6.724  -0.689
   43   1HG2  ILE  18          1HG2      ILE  18  -8.449  -7.357  -3.897
   44   2HG2  ILE  18          2HG2      ILE  18  -8.566  -5.674  -4.411
   45   3HG2  ILE  18          3HG2      ILE  18  -6.999  -6.486  -4.396
   46   1HD1  ILE  18          1HD1      ILE  18  -6.866  -8.633  -3.004
   47   2HD1  ILE  18          2HD1      ILE  18  -6.490  -8.978  -1.316
   48   3HD1  ILE  18          3HD1      ILE  18  -8.136  -8.549  -1.783
   49    H    ALA  19           H        ALA  19  -5.310  -3.435  -1.147
   50    HA   ALA  19           HA       ALA  19  -3.381  -3.642  -3.322
   51   1HB   ALA  19          1HB       ALA  19  -2.197  -1.936  -2.291
   52   2HB   ALA  19          2HB       ALA  19  -3.868  -1.538  -1.890
   53   3HB   ALA  19          3HB       ALA  19  -2.837  -2.318  -0.693
   54    H    THR  20           H        THR  20  -2.896  -5.878  -3.233
   55    HA   THR  20           HA       THR  20  -1.330  -6.654  -0.871
   56    HB   THR  20           HB       THR  20  -2.199  -9.027  -1.303
   57    HG1  THR  20           HG1      THR  20  -4.215  -7.522  -2.654
   58   1HG2  THR  20          1HG2      THR  20  -3.548  -6.777   0.034
   59   2HG2  THR  20          2HG2      THR  20  -3.040  -8.341   0.673
   60   3HG2  THR  20          3HG2      THR  20  -4.546  -8.207  -0.236
   61    H    TYR  21           H        TYR  21   0.707  -7.133  -1.432
   62    HA   TYR  21           HA       TYR  21   1.157  -8.982  -3.556
   63   1HB   TYR  21          1HB       TYR  21   2.736  -7.639  -4.871
   64   2HB   TYR  21          2HB       TYR  21   1.098  -7.034  -4.941
   65    HD1  TYR  21           HD1      TYR  21   1.822  -5.751  -1.922
   66    HD2  TYR  21           HD2      TYR  21   3.219  -5.433  -5.933
   67    HE1  TYR  21           HE1      TYR  21   2.646  -3.482  -1.460
   68    HE2  TYR  21           HE2      TYR  21   4.034  -3.166  -5.482
   69    HH   TYR  21           HH       TYR  21   3.987  -1.448  -4.025
   70    H    THR  22           H        THR  22   2.965 -10.123  -3.396
   71    HA   THR  22           HA       THR  22   4.801  -9.453  -1.196
   72    HB   THR  22           HB       THR  22   5.194 -12.134  -1.871
   73    HG1  THR  22           HG1      THR  22   3.332 -12.902  -2.507
   74   1HG2  THR  22          1HG2      THR  22   3.352 -11.953   0.300
   75   2HG2  THR  22          2HG2      THR  22   4.459 -10.582   0.380
   76   3HG2  THR  22          3HG2      THR  22   5.093 -12.228   0.350
   77    H    GLY  23           H        GLY  23   6.144  -8.164  -2.576
   78   1HA   GLY  23          1HA       GLY  23   7.591  -9.734  -4.614
   79   2HA   GLY  23          2HA       GLY  23   7.025  -8.110  -4.955
   80    H    THR  24           H        THR  24   9.271  -7.699  -5.471
   81    HA   THR  24           HA       THR  24  10.855  -7.095  -3.067
   82    HB   THR  24           HB       THR  24  12.819  -7.462  -4.851
   83    HG1  THR  24           HG1      THR  24  10.988  -9.535  -5.535
   84   1HG2  THR  24          1HG2      THR  24  12.944  -8.550  -2.775
   85   2HG2  THR  24          2HG2      THR  24  12.953  -9.859  -3.959
   86   3HG2  THR  24          3HG2      THR  24  11.476  -9.477  -3.074
   87    H    ILE  25           H        ILE  25  11.786  -5.116  -3.024
   88    HA   ILE  25           HA       ILE  25  11.242  -3.336  -5.283
   89    HB   ILE  25           HB       ILE  25  10.449  -2.421  -3.237
   90   1HG1  ILE  25          1HG1      ILE  25  13.007  -0.925  -3.285
   91   2HG1  ILE  25          2HG1      ILE  25  12.151  -1.058  -4.819
   92   1HG2  ILE  25          1HG2      ILE  25  12.744  -3.726  -2.110
   93   2HG2  ILE  25          2HG2      ILE  25  12.661  -2.047  -1.575
   94   3HG2  ILE  25          3HG2      ILE  25  11.290  -3.125  -1.314
   95   1HD1  ILE  25          1HD1      ILE  25  10.400  -0.319  -2.636
   96   2HD1  ILE  25          2HD1      ILE  25  11.726   0.822  -2.866
   97   3HD1  ILE  25          3HD1      ILE  25  10.644   0.444  -4.207
   98    H    GLN  26           H        GLN  26  12.863  -2.158  -6.295
   99    HA   GLN  26           HA       GLN  26  15.355  -3.451  -6.583
  100   1HB   GLN  26          1HB       GLN  26  13.989  -1.122  -7.727
  101   2HB   GLN  26          2HB       GLN  26  15.738  -0.954  -7.658
  102   1HG   GLN  26          1HG       GLN  26  14.828  -1.899  -9.787
  103   2HG   GLN  26          2HG       GLN  26  16.074  -2.866  -9.000
  104   1HE2  GLN  26          1HE2      GLN  26  12.547  -2.522  -9.159
  105   2HE2  GLN  26          2HE2      GLN  26  12.209  -4.223  -9.079
  106    H    GLY  27           H        GLY  27  17.465  -2.129  -6.460
  107   1HA   GLY  27          1HA       GLY  27  17.885  -1.561  -3.695
  108   2HA   GLY  27          2HA       GLY  27  19.078  -1.429  -4.980
  109    H    LYS  28           H        LYS  28  17.530   0.263  -2.683
  110    HA   LYS  28           HA       LYS  28  17.232   2.452  -2.199
  111   1HB   LYS  28          1HB       LYS  28  19.614   2.278  -3.849
  112   2HB   LYS  28          2HB       LYS  28  18.831   3.844  -4.007
  113   1HG   LYS  28          1HG       LYS  28  19.981   4.399  -2.189
  114   2HG   LYS  28          2HG       LYS  28  18.778   3.452  -1.309
  115   1HD   LYS  28          1HD       LYS  28  20.184   1.553  -1.242
  116   2HD   LYS  28          2HD       LYS  28  21.285   2.233  -2.442
  117   1HE   LYS  28          1HE       LYS  28  22.187   3.757  -0.924
  118   2HE   LYS  28          2HE       LYS  28  20.824   3.603   0.184
  119   1HZ   LYS  28          1HZ       LYS  28  21.663   1.722   1.101
  120   2HZ   LYS  28          2HZ       LYS  28  23.130   2.416   0.615
  121   3HZ   LYS  28          3HZ       LYS  28  22.412   1.201  -0.326
  122    H    GLY  29           H        GLY  29  15.047   2.003  -3.233
  123   1HA   GLY  29          1HA       GLY  29  14.547   4.171  -5.114
  124   2HA   GLY  29          2HA       GLY  29  14.131   2.558  -5.674
  125    H    GLU  30           H        GLU  30  12.016   3.790  -5.784
  126    HA   GLU  30           HA       GLU  30  10.491   3.070  -3.411
  127   1HB   GLU  30          1HB       GLU  30   9.222   5.393  -4.267
  128   2HB   GLU  30          2HB       GLU  30  10.167   5.201  -2.798
  129   1HG   GLU  30          1HG       GLU  30  12.182   5.901  -4.073
  130   2HG   GLU  30          2HG       GLU  30  11.134   6.236  -5.452
  131    H    VAL  31           H        VAL  31   8.564   2.171  -3.907
  132    HA   VAL  31           HA       VAL  31   7.668   2.351  -6.706
  133    HB   VAL  31           HB       VAL  31   6.876  -0.011  -6.523
  134   1HG1  VAL  31          1HG1      VAL  31   9.750   0.757  -6.526
  135   2HG1  VAL  31          2HG1      VAL  31   9.332  -0.957  -6.524
  136   3HG1  VAL  31          3HG1      VAL  31   8.753   0.091  -7.819
  137   1HG2  VAL  31          1HG2      VAL  31   7.952  -1.438  -4.790
  138   2HG2  VAL  31          2HG2      VAL  31   8.512   0.029  -3.988
  139   3HG2  VAL  31          3HG2      VAL  31   6.784  -0.287  -4.142
  140    H    CYS  32           H        CYS  32   5.408   1.925  -7.027
  141    HA   CYS  32           HA       CYS  32   3.760   2.804  -4.783
  142   1HB   CYS  32          1HB       CYS  32   2.338   2.324  -7.268
  143   2HB   CYS  32          2HB       CYS  32   2.500   3.817  -6.350
  144    H    ILE  33           H        ILE  33   1.449   1.695  -4.864
  145    HA   ILE  33           HA       ILE  33   1.881  -1.146  -4.611
  146    HB   ILE  33           HB       ILE  33   0.139   0.604  -3.369
  147   1HG1  ILE  33          1HG1      ILE  33   1.090  -1.534  -2.538
  148   2HG1  ILE  33          2HG1      ILE  33  -0.620  -1.347  -2.166
  149   1HG2  ILE  33          1HG2      ILE  33  -1.359  -0.942  -5.450
  150   2HG2  ILE  33          2HG2      ILE  33  -2.111  -0.579  -3.894
  151   3HG2  ILE  33          3HG2      ILE  33  -1.562   0.734  -4.935
  152   1HD1  ILE  33          1HD1      ILE  33  -0.850  -2.692  -4.447
  153   2HD1  ILE  33          2HD1      ILE  33   0.738  -3.272  -3.946
  154   3HD1  ILE  33          3HD1      ILE  33  -0.653  -3.486  -2.884
  155    H    ILE  34           H        ILE  34   1.488  -2.630  -6.091
  156    HA   ILE  34           HA       ILE  34  -0.369  -2.349  -8.246
  157    HB   ILE  34           HB       ILE  34   1.714  -2.738  -9.895
  158   1HG1  ILE  34          1HG1      ILE  34   2.757  -0.839  -7.778
  159   2HG1  ILE  34          2HG1      ILE  34   3.407  -2.431  -8.157
  160   1HG2  ILE  34          1HG2      ILE  34   0.521  -0.100  -9.066
  161   2HG2  ILE  34          2HG2      ILE  34   1.550  -0.302 -10.484
  162   3HG2  ILE  34          3HG2      ILE  34   0.010  -1.156 -10.383
  163   1HD1  ILE  34          1HD1      ILE  34   4.163   0.037  -9.220
  164   2HD1  ILE  34          2HD1      ILE  34   4.710  -1.567  -9.712
  165   3HD1  ILE  34          3HD1      ILE  34   3.330  -0.819 -10.518
  166    H    GLY  35           H        GLY  35  -1.132  -4.424  -8.198
  167   1HA   GLY  35          1HA       GLY  35  -0.037  -6.577  -9.291
  168   2HA   GLY  35          2HA       GLY  35   0.750  -6.609  -7.723
  169    H    ASN  36           H        ASN  36  -0.462  -8.783  -8.027
  170    HA   ASN  36           HA       ASN  36  -2.996  -8.531  -6.550
  171   1HB   ASN  36          1HB       ASN  36  -4.123  -9.880  -7.970
  172   2HB   ASN  36          2HB       ASN  36  -2.867  -9.455  -9.123
  173   1HD2  ASN  36          1HD2      ASN  36  -4.341 -11.949  -7.321
  174   2HD2  ASN  36          2HD2      ASN  36  -3.296 -13.239  -7.826
  175    H    LYS  37           H        LYS  37  -3.520 -10.570  -5.308
  176    HA   LYS  37           HA       LYS  37  -1.378 -12.369  -4.701
  177   1HB   LYS  37          1HB       LYS  37  -1.035 -10.044  -3.424
  178   2HB   LYS  37          2HB       LYS  37  -2.169 -10.786  -2.304
  179   1HG   LYS  37          1HG       LYS  37  -0.010 -12.575  -3.081
  180   2HG   LYS  37          2HG       LYS  37   0.556 -11.098  -2.296
  181   1HD   LYS  37          1HD       LYS  37  -1.560 -12.951  -1.201
  182   2HD   LYS  37          2HD       LYS  37   0.128 -12.927  -0.692
  183   1HE   LYS  37          1HE       LYS  37  -0.216 -11.194   0.665
  184   2HE   LYS  37          2HE       LYS  37  -1.053 -10.289  -0.594
  185   1HZ   LYS  37          1HZ       LYS  37  -3.095 -11.289  -0.026
  186   2HZ   LYS  37          2HZ       LYS  37  -2.392 -10.829   1.444
  187   3HZ   LYS  37          3HZ       LYS  37  -2.354 -12.458   0.953
  188    H    GLU  38           H        GLU  38  -3.726 -11.131  -2.407
  189    HA   GLU  38           HA       GLU  38  -5.844 -12.858  -2.885
  190   1HB   GLU  38          1HB       GLU  38  -5.441 -14.792  -1.782
  191   2HB   GLU  38          2HB       GLU  38  -3.751 -14.357  -1.967
  192   1HG   GLU  38          1HG       GLU  38  -4.500 -13.053   0.342
  193   2HG   GLU  38          2HG       GLU  38  -5.366 -14.585   0.428
  194    H    GLY  39           H        GLY  39  -7.503 -12.619  -1.295
  195   1HA   GLY  39          1HA       GLY  39  -7.377 -10.012  -0.100
  196   2HA   GLY  39          2HA       GLY  39  -8.753 -11.104  -0.092
  197    H    LYS  40           H        LYS  40  -6.945  -9.454   1.910
  198    HA   LYS  40           HA       LYS  40  -6.641 -11.553   3.936
  199   1HB   LYS  40          1HB       LYS  40  -4.886  -9.686   3.394
  200   2HB   LYS  40          2HB       LYS  40  -5.947  -8.653   4.340
  201   1HG   LYS  40          1HG       LYS  40  -4.325  -9.378   5.846
  202   2HG   LYS  40          2HG       LYS  40  -5.724 -10.396   6.186
  203   1HD   LYS  40          1HD       LYS  40  -4.605 -12.256   5.655
  204   2HD   LYS  40          2HD       LYS  40  -4.009 -11.552   4.150
  205   1HE   LYS  40          1HE       LYS  40  -2.495 -10.210   5.912
  206   2HE   LYS  40          2HE       LYS  40  -2.742 -11.702   6.816
  207   1HZ   LYS  40          1HZ       LYS  40  -2.071 -12.782   4.559
  208   2HZ   LYS  40          2HZ       LYS  40  -0.875 -12.202   5.612
  209   3HZ   LYS  40          3HZ       LYS  40  -1.344 -11.275   4.269
  210    H    THR  41           H        THR  41  -7.280 -10.631   6.242
  211    HA   THR  41           HA       THR  41 -10.065  -9.897   6.121
  212    HB   THR  41           HB       THR  41  -8.740 -11.473   7.838
  213    HG1  THR  41           HG1      THR  41 -11.009 -11.247   7.725
  214   1HG2  THR  41          1HG2      THR  41  -9.135  -9.298   9.759
  215   2HG2  THR  41          2HG2      THR  41  -7.771  -9.056   8.669
  216   3HG2  THR  41          3HG2      THR  41  -7.858 -10.509   9.666
  217    H    ARG  42           H        ARG  42 -10.796  -8.073   7.699
  218    HA   ARG  42           HA       ARG  42  -9.086  -5.756   7.084
  219   1HB   ARG  42          1HB       ARG  42 -11.236  -4.441   7.123
  220   2HB   ARG  42          2HB       ARG  42 -11.078  -5.586   5.799
  221   1HG   ARG  42          1HG       ARG  42 -12.382  -7.194   7.350
  222   2HG   ARG  42          2HG       ARG  42 -12.836  -5.719   8.207
  223   1HD   ARG  42          1HD       ARG  42 -13.390  -4.917   5.738
  224   2HD   ARG  42          2HD       ARG  42 -13.573  -6.652   5.487
  225    HE   ARG  42           HE       ARG  42 -15.143  -5.023   7.385
  226   1HH1  ARG  42          1HH1      ARG  42 -14.736  -7.902   5.431
  227   2HH1  ARG  42          2HH1      ARG  42 -16.351  -8.477   5.704
  228   1HH2  ARG  42          1HH2      ARG  42 -17.246  -5.788   7.775
  229   2HH2  ARG  42          2HH2      ARG  42 -17.778  -7.279   7.051
  230    H    GLY  43           H        GLY  43  -9.758  -3.800   8.519
  231   1HA   GLY  43          1HA       GLY  43 -10.594  -4.399  11.197
  232   2HA   GLY  43          2HA       GLY  43  -8.859  -4.136  11.071
  233    H    GLY  44           H        GLY  44 -11.766  -2.620   9.690
  234   1HA   GLY  44          1HA       GLY  44 -12.353  -0.371  10.597
  235   2HA   GLY  44          2HA       GLY  44 -10.639  -0.002  10.461
  236    H    GLU  45           H        GLU  45 -11.316   1.801   9.113
  237    HA   GLU  45           HA       GLU  45 -12.415   1.293   6.506
  238   1HB   GLU  45          1HB       GLU  45 -10.801   3.730   7.195
  239   2HB   GLU  45          2HB       GLU  45 -12.155   3.588   6.084
  240   1HG   GLU  45          1HG       GLU  45 -13.140   4.710   7.815
  241   2HG   GLU  45          2HG       GLU  45 -13.516   3.044   8.248
  242    H    LEU  46           H        LEU  46  -9.417   2.961   7.149
  243    HA   LEU  46           HA       LEU  46  -8.002   1.754   5.009
  244   1HB   LEU  46          1HB       LEU  46  -6.876   3.147   7.431
  245   2HB   LEU  46          2HB       LEU  46  -6.114   2.952   5.869
  246    HG   LEU  46           HG       LEU  46  -8.629   4.574   6.179
  247   1HD1  LEU  46          1HD1      LEU  46  -5.806   5.617   6.341
  248   2HD1  LEU  46          2HD1      LEU  46  -7.307   6.534   6.517
  249   3HD1  LEU  46          3HD1      LEU  46  -6.843   5.358   7.748
  250   1HD2  LEU  46          1HD2      LEU  46  -7.862   5.634   4.155
  251   2HD2  LEU  46          2HD2      LEU  46  -6.349   4.728   4.209
  252   3HD2  LEU  46          3HD2      LEU  46  -7.873   3.886   3.914
  253    H    TYR  47           H        TYR  47  -7.021  -0.253   5.033
  254    HA   TYR  47           HA       TYR  47  -5.733  -1.057   7.499
  255   1HB   TYR  47          1HB       TYR  47  -7.970  -2.122   7.623
  256   2HB   TYR  47          2HB       TYR  47  -7.598  -2.990   6.130
  257    HD1  TYR  47           HD1      TYR  47  -7.311  -5.232   6.698
  258    HD2  TYR  47           HD2      TYR  47  -5.477  -2.240   9.104
  259    HE1  TYR  47           HE1      TYR  47  -6.143  -6.981   7.968
  260    HE2  TYR  47           HE2      TYR  47  -4.305  -3.975  10.389
  261    HH   TYR  47           HH       TYR  47  -5.156  -7.139  10.408
  262    H    ALA  48           H        ALA  48  -3.716  -1.461   6.984
  263    HA   ALA  48           HA       ALA  48  -3.139  -3.500   5.048
  264   1HB   ALA  48          1HB       ALA  48  -1.557  -1.000   4.683
  265   2HB   ALA  48          2HB       ALA  48  -1.843  -2.326   3.557
  266   3HB   ALA  48          3HB       ALA  48  -3.121  -1.155   3.885
  267    H    VAL  49           H        VAL  49  -1.098  -4.441   5.389
  268    HA   VAL  49           HA       VAL  49   0.577  -3.243   7.487
  269    HB   VAL  49           HB       VAL  49   0.042  -6.215   7.280
  270   1HG1  VAL  49          1HG1      VAL  49   1.785  -6.510   8.642
  271   2HG1  VAL  49          2HG1      VAL  49   2.201  -4.816   8.371
  272   3HG1  VAL  49          3HG1      VAL  49   1.200  -5.271   9.753
  273   1HG2  VAL  49          1HG2      VAL  49  -0.911  -5.715   9.671
  274   2HG2  VAL  49          2HG2      VAL  49  -1.173  -4.105   9.000
  275   3HG2  VAL  49          3HG2      VAL  49  -1.922  -5.510   8.240
  276    H    LEU  50           H        LEU  50   2.706  -3.207   6.981
  277    HA   LEU  50           HA       LEU  50   3.529  -4.662   4.555
  278   1HB   LEU  50          1HB       LEU  50   3.857  -2.328   4.233
  279   2HB   LEU  50          2HB       LEU  50   4.554  -2.130   5.830
  280    HG   LEU  50           HG       LEU  50   6.252  -3.945   4.584
  281   1HD1  LEU  50          1HD1      LEU  50   4.922  -2.315   2.588
  282   2HD1  LEU  50          2HD1      LEU  50   6.672  -2.095   2.580
  283   3HD1  LEU  50          3HD1      LEU  50   5.985  -3.708   2.389
  284   1HD2  LEU  50          1HD2      LEU  50   6.366  -1.015   5.189
  285   2HD2  LEU  50          2HD2      LEU  50   7.179  -2.356   5.995
  286   3HD2  LEU  50          3HD2      LEU  50   7.721  -1.825   4.404
  287    H    HIS  51           H        HIS  51   4.603  -6.469   4.993
  288    HA   HIS  51           HA       HIS  51   6.247  -6.626   7.420
  289   1HB   HIS  51          1HB       HIS  51   5.514  -8.786   5.428
  290   2HB   HIS  51          2HB       HIS  51   6.435  -9.031   6.907
  291    HD1  HIS  51           HD1      HIS  51   5.037  -8.434   9.183
  292    HD2  HIS  51           HD2      HIS  51   2.866  -9.133   5.708
  293    HE1  HIS  51           HE1      HIS  51   2.688  -8.935   9.936
  294    HE2  HIS  51           HE2      HIS  51   1.444  -9.555   7.831
  295    H    SER  52           H        SER  52   8.445  -7.229   7.310
  296    HA   SER  52           HA       SER  52   9.673  -6.902   4.650
  297   1HB   SER  52          1HB       SER  52  10.802  -5.835   7.248
  298   2HB   SER  52          2HB       SER  52  11.468  -5.600   5.630
  299    HG   SER  52           HG       SER  52   9.013  -4.771   5.461
  300    H    THR  53           H        THR  53  10.900  -8.566   4.065
  301    HA   THR  53           HA       THR  53  12.326 -10.082   6.125
  302    HB   THR  53           HB       THR  53  11.510 -11.960   4.171
  303    HG1  THR  53           HG1      THR  53   9.710 -10.805   3.621
  304   1HG2  THR  53          1HG2      THR  53  10.025 -12.446   6.461
  305   2HG2  THR  53          2HG2      THR  53  11.430 -11.558   7.047
  306   3HG2  THR  53          3HG2      THR  53  11.650 -13.044   6.124
  307    H    ASN  54           H        ASN  54  14.278  -9.241   5.470
  308    HA   ASN  54           HA       ASN  54  15.547 -10.503   3.269
  309   1HB   ASN  54          1HB       ASN  54  16.075  -8.523   1.913
  310   2HB   ASN  54          2HB       ASN  54  14.339  -8.803   1.968
  311   1HD2  ASN  54          1HD2      ASN  54  13.043  -7.408   3.242
  312   2HD2  ASN  54          2HD2      ASN  54  13.597  -5.827   3.662
  313    H    VAL  55           H        VAL  55  17.529  -8.349   2.940
  314    HA   VAL  55           HA       VAL  55  19.286  -9.121   5.006
  315    HB   VAL  55           HB       VAL  55  19.609  -6.716   3.204
  316   1HG1  VAL  55          1HG1      VAL  55  22.050  -7.418   3.428
  317   2HG1  VAL  55          2HG1      VAL  55  21.293  -6.667   4.833
  318   3HG1  VAL  55          3HG1      VAL  55  21.515  -8.417   4.779
  319   1HG2  VAL  55          1HG2      VAL  55  19.046  -9.012   2.110
  320   2HG2  VAL  55          2HG2      VAL  55  20.373  -8.040   1.474
  321   3HG2  VAL  55          3HG2      VAL  55  20.712  -9.409   2.532
  322    H    ASN  56           H        ASN  56  18.613  -5.720   4.265
  323    HA   ASN  56           HA       ASN  56  18.312  -5.260   7.149
  324   1HB   ASN  56          1HB       ASN  56  18.904  -2.890   6.662
  325   2HB   ASN  56          2HB       ASN  56  20.192  -4.026   6.280
  326   1HD2  ASN  56          1HD2      ASN  56  18.656  -1.358   5.251
  327   2HD2  ASN  56          2HD2      ASN  56  18.943  -1.473   3.549
  328    H    ALA  57           H        ALA  57  16.355  -4.927   7.823
  329    HA   ALA  57           HA       ALA  57  14.192  -4.389   6.021
  330   1HB   ALA  57          1HB       ALA  57  13.139  -4.063   8.524
  331   2HB   ALA  57          2HB       ALA  57  13.260  -5.598   7.661
  332   3HB   ALA  57          3HB       ALA  57  14.501  -5.143   8.829
  333    H    ASP  58           H        ASP  58  15.480  -2.368   5.356
  334    HA   ASP  58           HA       ASP  58  14.646  -0.076   7.011
  335   1HB   ASP  58          1HB       ASP  58  17.125  -0.486   6.198
  336   2HB   ASP  58          2HB       ASP  58  16.524   0.218   4.700
  337    H    MET  59           H        MET  59  12.478  -0.492   6.144
  338    HA   MET  59           HA       MET  59  12.166   0.648   3.450
  339   1HB   MET  59          1HB       MET  59  11.270  -1.845   4.425
  340   2HB   MET  59          2HB       MET  59   9.843  -0.824   4.296
  341   1HG   MET  59          1HG       MET  59  10.203  -0.459   1.988
  342   2HG   MET  59          2HG       MET  59  11.814  -1.170   2.058
  343   1HE   MET  59          1HE       MET  59  12.196  -3.971   1.872
  344   2HE   MET  59          2HE       MET  59  11.811  -3.549   3.541
  345   3HE   MET  59          3HE       MET  59  11.004  -4.913   2.768
  346    H    THR  60           H        THR  60  11.153   2.518   3.388
  347    HA   THR  60           HA       THR  60   9.683   3.430   5.742
  348    HB   THR  60           HB       THR  60   9.963   5.252   3.443
  349    HG1  THR  60           HG1      THR  60  12.222   4.145   4.790
  350   1HG2  THR  60          1HG2      THR  60   9.849   6.787   5.071
  351   2HG2  THR  60          2HG2      THR  60  11.150   6.021   5.985
  352   3HG2  THR  60          3HG2      THR  60   9.489   5.452   6.162
  353    H    LEU  61           H        LEU  61   7.614   2.767   5.713
  354    HA   LEU  61           HA       LEU  61   6.164   2.610   3.186
  355   1HB   LEU  61          1HB       LEU  61   6.069   1.120   5.498
  356   2HB   LEU  61          2HB       LEU  61   4.670   2.160   5.667
  357    HG   LEU  61           HG       LEU  61   5.055  -0.172   3.993
  358   1HD1  LEU  61          1HD1      LEU  61   2.416   0.540   3.886
  359   2HD1  LEU  61          2HD1      LEU  61   3.160  -0.471   5.127
  360   3HD1  LEU  61          3HD1      LEU  61   2.950   1.257   5.406
  361   1HD2  LEU  61          1HD2      LEU  61   3.850   2.262   2.685
  362   2HD2  LEU  61          2HD2      LEU  61   5.371   1.497   2.226
  363   3HD2  LEU  61          3HD2      LEU  61   3.850   0.623   2.034
  364    H    ILE  62           H        ILE  62   5.147   4.392   2.451
  365    HA   ILE  62           HA       ILE  62   4.113   6.218   4.502
  366    HB   ILE  62           HB       ILE  62   5.051   8.003   3.588
  367   1HG1  ILE  62          1HG1      ILE  62   4.302   6.940   0.861
  368   2HG1  ILE  62          2HG1      ILE  62   3.425   8.145   1.798
  369   1HG2  ILE  62          1HG2      ILE  62   7.143   7.399   3.228
  370   2HG2  ILE  62          2HG2      ILE  62   6.620   5.764   2.823
  371   3HG2  ILE  62          3HG2      ILE  62   6.738   6.992   1.561
  372   1HD1  ILE  62          1HD1      ILE  62   4.541   9.634   0.593
  373   2HD1  ILE  62          2HD1      ILE  62   5.923   9.236   1.614
  374   3HD1  ILE  62          3HD1      ILE  62   5.724   8.443   0.052
  375    H    LEU  63           H        LEU  63   2.107   6.728   4.503
  376    HA   LEU  63           HA       LEU  63   0.289   5.780   2.429
  377   1HB   LEU  63          1HB       LEU  63   0.095   5.823   5.109
  378   2HB   LEU  63          2HB       LEU  63  -0.638   7.377   4.765
  379    HG   LEU  63           HG       LEU  63  -1.701   4.677   4.466
  380   1HD1  LEU  63          1HD1      LEU  63  -3.086   7.345   4.506
  381   2HD1  LEU  63          2HD1      LEU  63  -3.787   5.767   4.871
  382   3HD1  LEU  63          3HD1      LEU  63  -2.576   6.467   5.947
  383   1HD2  LEU  63          1HD2      LEU  63  -3.143   6.048   2.507
  384   2HD2  LEU  63          2HD2      LEU  63  -1.441   6.252   2.080
  385   3HD2  LEU  63          3HD2      LEU  63  -2.112   4.633   2.289
  386    H    LEU  64           H        LEU  64   0.241   7.118   0.697
  387    HA   LEU  64           HA       LEU  64  -0.010  10.001   1.225
  388   1HB   LEU  64          1HB       LEU  64   2.027  10.311   0.395
  389   2HB   LEU  64          2HB       LEU  64   2.163   8.618  -0.042
  390    HG   LEU  64           HG       LEU  64   0.593   9.554  -2.061
  391   1HD1  LEU  64          1HD1      LEU  64   1.148  11.878  -0.967
  392   2HD1  LEU  64          2HD1      LEU  64   2.668  11.674  -1.840
  393   3HD1  LEU  64          3HD1      LEU  64   1.141  11.675  -2.720
  394   1HD2  LEU  64          1HD2      LEU  64   2.285   8.751  -3.270
  395   2HD2  LEU  64          2HD2      LEU  64   3.431   9.899  -2.585
  396   3HD2  LEU  64          3HD2      LEU  64   3.064   8.401  -1.730
  397    H    ARG  65           H        ARG  65  -1.238  11.174  -0.268
  398    HA   ARG  65           HA       ARG  65  -2.462   9.611  -2.413
  399   1HB   ARG  65          1HB       ARG  65  -4.577  10.144  -1.846
  400   2HB   ARG  65          2HB       ARG  65  -3.893  10.393  -0.252
  401   1HG   ARG  65          1HG       ARG  65  -3.738  12.797  -1.852
  402   2HG   ARG  65          2HG       ARG  65  -5.390  12.189  -1.735
  403   1HD   ARG  65          1HD       ARG  65  -4.875  11.963   0.789
  404   2HD   ARG  65          2HD       ARG  65  -3.536  13.060   0.450
  405    HE   ARG  65           HE       ARG  65  -5.091  14.751  -0.122
  406   1HH1  ARG  65          1HH1      ARG  65  -6.604  11.843   1.117
  407   2HH1  ARG  65          2HH1      ARG  65  -8.131  12.611   1.419
  408   1HH2  ARG  65          1HH2      ARG  65  -7.099  15.758   0.280
  409   2HH2  ARG  65          2HH2      ARG  65  -8.405  14.831   0.952
  410    H    ASN  66           H        ASN  66  -1.582  10.282  -4.155
  411    HA   ASN  66           HA       ASN  66  -1.486  13.152  -4.749
  412   1HB   ASN  66          1HB       ASN  66   0.760  12.720  -4.132
  413   2HB   ASN  66          2HB       ASN  66   0.765  11.150  -4.922
  414   1HD2  ASN  66          1HD2      ASN  66   1.069  11.026  -7.105
  415   2HD2  ASN  66          2HD2      ASN  66   1.669  12.354  -8.049
  416    H    VAL  67           H        VAL  67  -1.897  13.613  -6.990
  417    HA   VAL  67           HA       VAL  67  -1.984  11.513  -8.906
  418    HB   VAL  67           HB       VAL  67  -3.954  10.973  -7.473
  419   1HG1  VAL  67          1HG1      VAL  67  -5.994  12.531  -8.299
  420   2HG1  VAL  67          2HG1      VAL  67  -5.106  12.795  -6.800
  421   3HG1  VAL  67          3HG1      VAL  67  -4.695  13.725  -8.242
  422   1HG2  VAL  67          1HG2      VAL  67  -3.660  10.415  -9.961
  423   2HG2  VAL  67          2HG2      VAL  67  -5.273  10.256  -9.264
  424   3HG2  VAL  67          3HG2      VAL  67  -4.870  11.665 -10.247
  425    H    GLY  68           H        GLY  68  -2.414  12.191 -11.000
  426   1HA   GLY  68          1HA       GLY  68  -2.874  13.726 -12.705
  427   2HA   GLY  68          2HA       GLY  68  -3.123  14.973 -11.492
  428    H    GLY  69           H        GLY  69  -0.498  12.912 -12.783
  429   1HA   GLY  69          1HA       GLY  69   1.272  14.880 -13.506
  430   2HA   GLY  69          2HA       GLY  69   1.530  14.672 -11.792
  431    H    ASN  70           H        ASN  70   3.689  13.980 -12.295
  432    HA   ASN  70           HA       ASN  70   3.745  11.095 -12.767
  433   1HB   ASN  70          1HB       ASN  70   4.356  12.422 -14.899
  434   2HB   ASN  70          2HB       ASN  70   5.841  12.841 -14.049
  435   1HD2  ASN  70          1HD2      ASN  70   3.998  10.298 -15.526
  436   2HD2  ASN  70          2HD2      ASN  70   5.270   9.123 -15.567
  437    H    GLY  71           H        GLY  71   3.845  11.492 -10.381
  438   1HA   GLY  71          1HA       GLY  71   6.373  10.835  -9.400
  439   2HA   GLY  71          2HA       GLY  71   6.124  12.557  -9.118
  440    H    TRP  72           H        TRP  72   6.390  11.247  -6.857
  441    HA   TRP  72           HA       TRP  72   3.675  11.312  -5.755
  442   1HB   TRP  72          1HB       TRP  72   5.579   8.999  -5.285
  443   2HB   TRP  72          2HB       TRP  72   4.075   9.258  -4.418
  444    HD1  TRP  72           HD1      TRP  72   5.474   7.860  -7.624
  445    HE1  TRP  72           HE1      TRP  72   3.601   6.700  -8.946
  446    HE3  TRP  72           HE3      TRP  72   1.415   9.440  -4.907
  447    HZ2  TRP  72           HZ2      TRP  72   0.802   6.460  -8.852
  448    HZ3  TRP  72           HZ3      TRP  72  -0.817   8.669  -5.586
  449    HH2  TRP  72           HH2      TRP  72  -1.118   7.220  -7.519
  450    H    GLY  73           H        GLY  73   3.612  12.212  -3.717
  451   1HA   GLY  73          1HA       GLY  73   6.179  13.218  -2.700
  452   2HA   GLY  73          2HA       GLY  73   4.594  13.874  -2.323
  453    H    GLU  74           H        GLU  74   5.933  13.660  -0.135
  454    HA   GLU  74           HA       GLU  74   5.369  11.028   1.046
  455   1HB   GLU  74          1HB       GLU  74   6.726  13.103   2.668
  456   2HB   GLU  74          2HB       GLU  74   7.041  11.378   2.554
  457   1HG   GLU  74          1HG       GLU  74   8.896  12.047   1.497
  458   2HG   GLU  74          2HG       GLU  74   7.823  12.169   0.103
  459    H    ILE  75           H        ILE  75   3.880  10.739   2.662
  460    HA   ILE  75           HA       ILE  75   2.689  13.138   3.857
  461    HB   ILE  75           HB       ILE  75   1.092  10.762   2.878
  462   1HG1  ILE  75          1HG1      ILE  75   1.422  13.598   1.923
  463   2HG1  ILE  75          2HG1      ILE  75   1.528  12.107   0.995
  464   1HG2  ILE  75          1HG2      ILE  75  -0.627  11.388   4.165
  465   2HG2  ILE  75          2HG2      ILE  75   0.544  12.348   5.071
  466   3HG2  ILE  75          3HG2      ILE  75  -0.396  13.094   3.779
  467   1HD1  ILE  75          1HD1      ILE  75  -0.796  13.757   1.667
  468   2HD1  ILE  75          2HD1      ILE  75  -0.511  12.688   0.291
  469   3HD1  ILE  75          3HD1      ILE  75  -1.045  12.017   1.831
  470    H    LYS  76           H        LYS  76   1.606   9.795   4.468
  471    HA   LYS  76           HA       LYS  76   2.445  10.210   7.252
  472   1HB   LYS  76          1HB       LYS  76   0.037   9.480   6.362
  473   2HB   LYS  76          2HB       LYS  76   0.760   7.882   6.483
  474   1HG   LYS  76          1HG       LYS  76   1.105   9.643   8.822
  475   2HG   LYS  76          2HG       LYS  76  -0.537   9.085   8.495
  476   1HD   LYS  76          1HD       LYS  76  -0.068   6.991   9.133
  477   2HD   LYS  76          2HD       LYS  76   1.486   6.986   8.293
  478   1HE   LYS  76          1HE       LYS  76   2.631   7.680  10.127
  479   2HE   LYS  76          2HE       LYS  76   1.293   8.663  10.720
  480   1HZ   LYS  76          1HZ       LYS  76   0.212   6.349  11.140
  481   2HZ   LYS  76          2HZ       LYS  76   1.343   6.967  12.243
  482   3HZ   LYS  76          3HZ       LYS  76   1.817   5.797  11.112
  483    H    ARG  77           H        ARG  77   4.345   9.392   7.771
  484    HA   ARG  77           HA       ARG  77   5.404   7.097   6.324
  485   1HB   ARG  77          1HB       ARG  77   6.916   8.940   6.560
  486   2HB   ARG  77          2HB       ARG  77   6.621   9.041   8.289
  487   1HG   ARG  77          1HG       ARG  77   7.557   6.432   7.759
  488   2HG   ARG  77          2HG       ARG  77   8.602   7.557   6.889
  489   1HD   ARG  77          1HD       ARG  77   9.446   8.448   8.785
  490   2HD   ARG  77          2HD       ARG  77   7.911   8.334   9.645
  491    HE   ARG  77           HE       ARG  77   8.442   6.146  10.289
  492   1HH1  ARG  77          1HH1      ARG  77  11.008   7.659   8.436
  493   2HH1  ARG  77          2HH1      ARG  77  12.169   6.411   8.789
  494   1HH2  ARG  77          1HH2      ARG  77   9.979   4.524  10.777
  495   2HH2  ARG  77          2HH2      ARG  77  11.582   4.634  10.111
  496    H    ASN  78           H        ASN  78   5.351   5.083   7.099
  497    HA   ASN  78           HA       ASN  78   5.242   4.726  10.028
  498   1HB   ASN  78          1HB       ASN  78   3.371   3.805   8.106
  499   2HB   ASN  78          2HB       ASN  78   4.261   2.393   8.678
  500   1HD2  ASN  78          1HD2      ASN  78   3.108   1.418  10.155
  501   2HD2  ASN  78          2HD2      ASN  78   2.286   2.174  11.475
  502    H    ASP  79           H        ASP  79   6.000   2.421  10.614
  503    HA   ASP  79           HA       ASP  79   8.639   2.194   9.388
  504   1HB   ASP  79          1HB       ASP  79   7.587   1.928  12.073
  505   2HB   ASP  79          2HB       ASP  79   8.567   0.532  11.631
  506    H    ILE  80           H        ILE  80   9.433  -0.259  10.075
  507    HA   ILE  80           HA       ILE  80   8.194  -1.835   7.990
  508    HB   ILE  80           HB       ILE  80  10.092  -3.458   8.643
  509   1HG1  ILE  80          1HG1      ILE  80  11.657  -1.237   9.712
  510   2HG1  ILE  80          2HG1      ILE  80  10.328  -1.693  10.772
  511   1HG2  ILE  80          1HG2      ILE  80  10.970  -0.751   7.667
  512   2HG2  ILE  80          2HG2      ILE  80  11.608  -2.336   7.226
  513   3HG2  ILE  80          3HG2      ILE  80   9.999  -1.854   6.689
  514   1HD1  ILE  80          1HD1      ILE  80  11.654  -4.049   9.868
  515   2HD1  ILE  80          2HD1      ILE  80  12.840  -2.917  10.518
  516   3HD1  ILE  80          3HD1      ILE  80  11.473  -3.428  11.508
  517    H    ASP  81           H        ASP  81   7.428  -3.916   8.193
  518    HA   ASP  81           HA       ASP  81   5.950  -5.404   9.058
  519   1HB   ASP  81          1HB       ASP  81   8.387  -5.565  10.567
  520   2HB   ASP  81          2HB       ASP  81   7.022  -5.930  11.620
  521    H    LYS  82           H        LYS  82   4.884  -3.090   9.210
  522    HA   LYS  82           HA       LYS  82   3.653  -2.925  11.866
  523   1HB   LYS  82          1HB       LYS  82   5.499  -1.036  10.798
  524   2HB   LYS  82          2HB       LYS  82   3.910  -0.284  10.814
  525   1HG   LYS  82          1HG       LYS  82   4.494   0.269  12.909
  526   2HG   LYS  82          2HG       LYS  82   3.935  -1.365  13.274
  527   1HD   LYS  82          1HD       LYS  82   6.562  -1.708  12.461
  528   2HD   LYS  82          2HD       LYS  82   6.601  -0.236  13.434
  529   1HE   LYS  82          1HE       LYS  82   6.743  -1.626  15.182
  530   2HE   LYS  82          2HE       LYS  82   5.012  -1.854  14.941
  531   1HZ   LYS  82          1HZ       LYS  82   5.700  -4.002  14.934
  532   2HZ   LYS  82          2HZ       LYS  82   7.235  -3.646  14.304
  533   3HZ   LYS  82          3HZ       LYS  82   5.886  -3.679  13.280
  534    HA   PRO  83           HA       PRO  83  -0.003  -2.457   9.396
  535   1HB   PRO  83          1HB       PRO  83  -1.344  -1.290  11.701
  536   2HB   PRO  83          2HB       PRO  83  -1.590  -2.874  10.960
  537   1HG   PRO  83          1HG       PRO  83  -0.478  -2.539  13.419
  538   2HG   PRO  83          2HG       PRO  83  -0.092  -3.902  12.354
  539   1HD   PRO  83          1HD       PRO  83   1.459  -1.389  12.855
  540   2HD   PRO  83          2HD       PRO  83   2.042  -3.059  12.673
  541    H    LEU  84           H        LEU  84   0.410  -0.831   7.973
  542    HA   LEU  84           HA       LEU  84  -0.301   1.880   8.873
  543   1HB   LEU  84          1HB       LEU  84   1.961   1.793   7.898
  544   2HB   LEU  84          2HB       LEU  84   1.303   1.087   6.432
  545    HG   LEU  84           HG       LEU  84   0.080   3.119   5.937
  546   1HD1  LEU  84          1HD1      LEU  84   0.146   5.070   7.314
  547   2HD1  LEU  84          2HD1      LEU  84  -0.390   3.716   8.310
  548   3HD1  LEU  84          3HD1      LEU  84   1.268   4.304   8.438
  549   1HD2  LEU  84          1HD2      LEU  84   2.372   3.016   5.157
  550   2HD2  LEU  84          2HD2      LEU  84   1.949   4.668   5.605
  551   3HD2  LEU  84          3HD2      LEU  84   2.942   3.690   6.685
  552    H    LYS  85           H        LYS  85  -2.219   2.568   8.156
  553    HA   LYS  85           HA       LYS  85  -3.657   0.486   6.710
  554   1HB   LYS  85          1HB       LYS  85  -4.530   2.596   8.670
  555   2HB   LYS  85          2HB       LYS  85  -5.647   1.526   7.832
  556   1HG   LYS  85          1HG       LYS  85  -5.138  -0.240   9.131
  557   2HG   LYS  85          2HG       LYS  85  -3.427   0.181   9.210
  558   1HD   LYS  85          1HD       LYS  85  -4.195   0.459  11.405
  559   2HD   LYS  85          2HD       LYS  85  -4.151   2.095  10.747
  560   1HE   LYS  85          1HE       LYS  85  -6.693   0.980  10.159
  561   2HE   LYS  85          2HE       LYS  85  -6.354   0.681  11.863
  562   1HZ   LYS  85          1HZ       LYS  85  -7.186   3.059  10.666
  563   2HZ   LYS  85          2HZ       LYS  85  -5.611   3.318  11.237
  564   3HZ   LYS  85          3HZ       LYS  85  -6.822   2.785  12.298
  565    H    TYR  86           H        TYR  86  -4.123   0.858   4.620
  566    HA   TYR  86           HA       TYR  86  -5.784   3.210   4.199
  567   1HB   TYR  86          1HB       TYR  86  -4.021   4.056   2.961
  568   2HB   TYR  86          2HB       TYR  86  -3.475   2.462   2.453
  569    HD1  TYR  86           HD1      TYR  86  -6.658   4.437   2.123
  570    HD2  TYR  86           HD2      TYR  86  -3.656   2.116   0.177
  571    HE1  TYR  86           HE1      TYR  86  -7.844   4.697  -0.019
  572    HE2  TYR  86           HE2      TYR  86  -4.842   2.370  -1.961
  573    HH   TYR  86           HH       TYR  86  -7.233   2.811  -2.690
  574    H    GLU  87           H        GLU  87  -7.689   2.698   3.460
  575    HA   GLU  87           HA       GLU  87  -8.153   1.246   1.158
  576   1HB   GLU  87          1HB       GLU  87  -7.973  -0.459   3.437
  577   2HB   GLU  87          2HB       GLU  87  -9.659  -0.399   2.939
  578   1HG   GLU  87          1HG       GLU  87  -7.305  -1.523   1.547
  579   2HG   GLU  87          2HG       GLU  87  -8.968  -2.106   1.624
  580    H    ASP  88           H        ASP  88 -10.404   1.204   0.593
  581    HA   ASP  88           HA       ASP  88 -12.518   2.014   0.459
  582   1HB   ASP  88          1HB       ASP  88 -12.938   1.056   2.634
  583   2HB   ASP  88          2HB       ASP  88 -12.225   2.455   3.433
  584    H    TYR  89           H        TYR  89 -10.200   4.084   2.050
  585    HA   TYR  89           HA       TYR  89 -11.724   6.447   2.110
  586   1HB   TYR  89          1HB       TYR  89  -8.915   5.699   2.547
  587   2HB   TYR  89          2HB       TYR  89  -9.172   7.370   2.069
  588    HD1  TYR  89           HD1      TYR  89  -8.627   8.489   4.066
  589    HD2  TYR  89           HD2      TYR  89 -11.444   5.304   4.143
  590    HE1  TYR  89           HE1      TYR  89  -9.187   9.046   6.393
  591    HE2  TYR  89           HE2      TYR  89 -12.014   5.858   6.467
  592    HH   TYR  89           HH       TYR  89 -11.802   8.249   7.895
  593    H    TYR  90           H        TYR  90 -10.328   4.926  -0.594
  594    HA   TYR  90           HA       TYR  90  -9.506   7.130  -2.120
  595   1HB   TYR  90          1HB       TYR  90 -10.185   5.646  -4.125
  596   2HB   TYR  90          2HB       TYR  90  -8.909   5.073  -3.063
  597    HD1  TYR  90           HD1      TYR  90  -9.333   3.209  -1.510
  598    HD2  TYR  90           HD2      TYR  90 -12.288   4.469  -4.304
  599    HE1  TYR  90           HE1      TYR  90 -10.540   1.100  -1.178
  600    HE2  TYR  90           HE2      TYR  90 -13.503   2.355  -3.973
  601    HH   TYR  90           HH       TYR  90 -12.183  -0.208  -1.907
  602    H    THR  91           H        THR  91 -10.593   8.801  -2.852
  603    HA   THR  91           HA       THR  91 -13.526   8.623  -2.919
  604    HB   THR  91           HB       THR  91 -12.606  11.338  -2.913
  605    HG1  THR  91           HG1      THR  91 -11.448   9.580  -0.997
  606   1HG2  THR  91          1HG2      THR  91 -14.803  10.558  -2.134
  607   2HG2  THR  91          2HG2      THR  91 -13.956  11.452  -0.871
  608   3HG2  THR  91          3HG2      THR  91 -14.023   9.692  -0.811
  609    H    SER  92           H        SER  92 -13.997  11.031  -4.263
  610    HA   SER  92           HA       SER  92 -14.026  10.187  -6.917
  611   1HB   SER  92          1HB       SER  92 -14.188  13.058  -6.717
  612   2HB   SER  92          2HB       SER  92 -15.471  11.896  -7.051
  613    HG   SER  92           HG       SER  92 -15.782  11.632  -4.835
  614    H    GLY  93           H        GLY  93 -12.190   9.804  -8.031
  615   1HA   GLY  93          1HA       GLY  93 -10.277  10.257  -9.217
  616   2HA   GLY  93          2HA       GLY  93 -10.641  11.963  -8.999
  617    H    LEU  94           H        LEU  94 -10.269   9.841  -6.282
  618    HA   LEU  94           HA       LEU  94  -7.689  11.129  -5.687
  619   1HB   LEU  94          1HB       LEU  94 -10.129  11.232  -4.230
  620   2HB   LEU  94          2HB       LEU  94  -8.994  10.281  -3.295
  621    HG   LEU  94           HG       LEU  94  -8.992  13.172  -3.898
  622   1HD1  LEU  94          1HD1      LEU  94  -9.200  11.625  -1.668
  623   2HD1  LEU  94          2HD1      LEU  94  -7.502  12.100  -1.624
  624   3HD1  LEU  94          3HD1      LEU  94  -8.762  13.334  -1.682
  625   1HD2  LEU  94          1HD2      LEU  94  -6.370  12.809  -3.226
  626   2HD2  LEU  94          2HD2      LEU  94  -6.640  11.493  -4.367
  627   3HD2  LEU  94          3HD2      LEU  94  -6.962  13.159  -4.849
  628    H    SER  95           H        SER  95  -6.088   9.748  -5.550
  629    HA   SER  95           HA       SER  95  -6.689   6.970  -4.809
  630   1HB   SER  95          1HB       SER  95  -4.627   8.006  -6.768
  631   2HB   SER  95          2HB       SER  95  -4.788   6.321  -6.276
  632    HG   SER  95           HG       SER  95  -6.722   7.898  -7.643
  633    H    TRP  96           H        TRP  96  -5.794   6.366  -2.967
  634    HA   TRP  96           HA       TRP  96  -3.418   7.716  -1.953
  635   1HB   TRP  96          1HB       TRP  96  -5.207   5.570  -0.781
  636   2HB   TRP  96          2HB       TRP  96  -3.722   6.100  -0.007
  637    HD1  TRP  96           HD1      TRP  96  -7.262   7.358  -0.845
  638    HE1  TRP  96           HE1      TRP  96  -7.826   9.302   0.755
  639    HE3  TRP  96           HE3      TRP  96  -2.699   7.906   1.408
  640    HZ2  TRP  96           HZ2      TRP  96  -6.500  10.847   2.711
  641    HZ3  TRP  96           HZ3      TRP  96  -2.433   9.636   3.137
  642    HH2  TRP  96           HH2      TRP  96  -4.299  11.079   3.772
  643    H    ILE  97           H        ILE  97  -1.465   6.610  -1.660
  644    HA   ILE  97           HA       ILE  97  -1.273   4.036  -3.052
  645    HB   ILE  97           HB       ILE  97  -0.585   6.297  -4.318
  646   1HG1  ILE  97          1HG1      ILE  97   0.857   4.934  -5.746
  647   2HG1  ILE  97          2HG1      ILE  97   0.965   3.711  -4.484
  648   1HG2  ILE  97          1HG2      ILE  97   1.091   6.927  -2.655
  649   2HG2  ILE  97          2HG2      ILE  97   1.973   5.434  -2.979
  650   3HG2  ILE  97          3HG2      ILE  97   1.811   6.654  -4.242
  651   1HD1  ILE  97          1HD1      ILE  97  -1.124   4.200  -6.454
  652   2HD1  ILE  97          2HD1      ILE  97  -0.718   2.731  -5.564
  653   3HD1  ILE  97          3HD1      ILE  97  -1.731   3.966  -4.815
  654    H    TRP  98           H        TRP  98   0.521   2.753  -2.481
  655    HA   TRP  98           HA       TRP  98   1.685   3.421   0.114
  656   1HB   TRP  98          1HB       TRP  98   1.605   0.855  -1.480
  657   2HB   TRP  98          2HB       TRP  98   2.547   1.043  -0.006
  658    HD1  TRP  98           HD1      TRP  98  -0.373  -0.607  -0.885
  659    HE1  TRP  98           HE1      TRP  98  -2.140  -0.662   0.979
  660    HE3  TRP  98           HE3      TRP  98   1.379   3.210   2.062
  661    HZ2  TRP  98           HZ2      TRP  98  -2.715   0.705   3.349
  662    HZ3  TRP  98           HZ3      TRP  98   0.125   3.770   4.104
  663    HH2  TRP  98           HH2      TRP  98  -1.864   2.536   4.729
  664    H    LYS  99           H        LYS  99   3.272   4.883  -0.381
  665    HA   LYS  99           HA       LYS  99   5.166   4.318  -2.482
  666   1HB   LYS  99          1HB       LYS  99   4.495   6.649  -1.831
  667   2HB   LYS  99          2HB       LYS  99   5.362   6.417  -0.317
  668   1HG   LYS  99          1HG       LYS  99   7.396   6.628  -1.291
  669   2HG   LYS  99          2HG       LYS  99   6.873   5.889  -2.807
  670   1HD   LYS  99          1HD       LYS  99   6.668   7.910  -3.705
  671   2HD   LYS  99          2HD       LYS  99   5.447   8.319  -2.500
  672   1HE   LYS  99          1HE       LYS  99   6.845   9.685  -1.436
  673   2HE   LYS  99          2HE       LYS  99   8.100   8.448  -1.372
  674   1HZ   LYS  99          1HZ       LYS  99   7.576  10.354  -3.592
  675   2HZ   LYS  99          2HZ       LYS  99   8.659   9.047  -3.701
  676   3HZ   LYS  99          3HZ       LYS  99   8.941  10.288  -2.586
  677    H    ILE 100           H        ILE 100   6.188   2.460  -2.030
  678    HA   ILE 100           HA       ILE 100   7.434   2.051   0.569
  679    HB   ILE 100           HB       ILE 100   7.445   0.314  -1.908
  680   1HG1  ILE 100          1HG1      ILE 100   5.878   0.104   0.677
  681   2HG1  ILE 100          2HG1      ILE 100   5.223   0.507  -0.907
  682   1HG2  ILE 100          1HG2      ILE 100   8.355  -1.439  -0.475
  683   2HG2  ILE 100          2HG2      ILE 100   9.430  -0.043  -0.524
  684   3HG2  ILE 100          3HG2      ILE 100   8.406  -0.315   0.885
  685   1HD1  ILE 100          1HD1      ILE 100   6.270  -2.120   0.069
  686   2HD1  ILE 100          2HD1      ILE 100   4.682  -1.734  -0.592
  687   3HD1  ILE 100          3HD1      ILE 100   6.093  -1.772  -1.651
  688    H    LYS 101           H        LYS 101   9.187   3.271   0.856
  689    HA   LYS 101           HA       LYS 101  11.206   3.300  -1.285
  690   1HB   LYS 101          1HB       LYS 101  10.250   5.468  -0.156
  691   2HB   LYS 101          2HB       LYS 101  11.348   5.044   1.152
  692   1HG   LYS 101          1HG       LYS 101  12.907   4.836  -1.124
  693   2HG   LYS 101          2HG       LYS 101  11.898   6.252  -1.419
  694   1HD   LYS 101          1HD       LYS 101  12.909   6.222   1.291
  695   2HD   LYS 101          2HD       LYS 101  14.222   6.142   0.113
  696   1HE   LYS 101          1HE       LYS 101  11.991   8.160  -0.028
  697   2HE   LYS 101          2HE       LYS 101  13.513   8.457   0.811
  698   1HZ   LYS 101          1HZ       LYS 101  14.601   7.863  -1.391
  699   2HZ   LYS 101          2HZ       LYS 101  13.803   9.355  -1.304
  700   3HZ   LYS 101          3HZ       LYS 101  13.059   8.046  -2.086
  701    H    ASN 102           H        ASN 102  13.140   2.317  -0.952
  702    HA   ASN 102           HA       ASN 102  13.585   1.212   1.738
  703   1HB   ASN 102          1HB       ASN 102  14.492  -0.796   0.787
  704   2HB   ASN 102          2HB       ASN 102  12.920  -0.503   0.047
  705   1HD2  ASN 102          1HD2      ASN 102  15.221  -2.069  -0.887
  706   2HD2  ASN 102          2HD2      ASN 102  15.600  -1.433  -2.452
  707    H    ASN 103           H        ASN 103  15.604   1.330   2.599
  708    HA   ASN 103           HA       ASN 103  17.459   3.095   1.182
  709   1HB   ASN 103          1HB       ASN 103  17.157   2.272   4.059
  710   2HB   ASN 103          2HB       ASN 103  18.661   2.993   3.485
  711   1HD2  ASN 103          1HD2      ASN 103  15.604   3.604   4.692
  712   2HD2  ASN 103          2HD2      ASN 103  15.509   5.294   4.327
  713    H    SER 104           H        SER 104  16.909  -0.117   1.517
  714    HA   SER 104           HA       SER 104  19.566  -1.120   1.733
  715   1HB   SER 104          1HB       SER 104  17.933  -2.984   0.375
  716   2HB   SER 104          2HB       SER 104  18.342  -2.972   2.092
  717    HG   SER 104           HG       SER 104  15.981  -2.772   1.200
  718    H    SER 105           H        SER 105  20.946  -1.797   0.108
  719    HA   SER 105           HA       SER 105  20.498  -0.562  -2.492
  720   1HB   SER 105          1HB       SER 105  22.965  -2.131  -1.919
  721   2HB   SER 105          2HB       SER 105  22.781  -0.586  -2.749
  722    HG   SER 105           HG       SER 105  23.351  -1.089  -0.148
  723    H    GLU 106           H        GLU 106  19.987  -3.482  -0.991
  724    HA   GLU 106           HA       GLU 106  20.223  -5.054  -3.451
  725   1HB   GLU 106          1HB       GLU 106  19.681  -6.965  -1.794
  726   2HB   GLU 106          2HB       GLU 106  21.271  -6.220  -1.715
  727   1HG   GLU 106          1HG       GLU 106  19.105  -5.159   0.029
  728   2HG   GLU 106          2HG       GLU 106  19.869  -6.688   0.457
  729    H    THR 107           H        THR 107  18.449  -6.528  -3.983
  730    HA   THR 107           HA       THR 107  15.941  -5.234  -4.072
  731    HB   THR 107           HB       THR 107  15.846  -8.132  -4.482
  732    HG1  THR 107           HG1      THR 107  17.204  -7.517  -6.570
  733   1HG2  THR 107          1HG2      THR 107  14.432  -6.028  -5.370
  734   2HG2  THR 107          2HG2      THR 107  14.531  -7.559  -6.243
  735   3HG2  THR 107          3HG2      THR 107  15.563  -6.208  -6.710
  736    H    SER 108           H        SER 108  14.944  -4.841  -2.186
  737    HA   SER 108           HA       SER 108  14.956  -6.810  -0.059
  738   1HB   SER 108          1HB       SER 108  13.344  -4.354   0.240
  739   2HB   SER 108          2HB       SER 108  14.529  -5.067   1.334
  740    HG   SER 108           HG       SER 108  15.961  -4.304  -0.664
  741    H    ASN 109           H        ASN 109  13.302  -8.099   0.488
  742    HA   ASN 109           HA       ASN 109  10.973  -8.162  -1.224
  743   1HB   ASN 109          1HB       ASN 109  11.548 -10.340  -0.839
  744   2HB   ASN 109          2HB       ASN 109  12.239  -9.993   0.741
  745   1HD2  ASN 109          1HD2      ASN 109   9.451 -11.006  -0.993
  746   2HD2  ASN 109          2HD2      ASN 109   8.445 -11.326   0.378
  747    H    TYR 110           H        TYR 110   8.936  -7.610  -0.694
  748    HA   TYR 110           HA       TYR 110   8.416  -6.809   2.084
  749   1HB   TYR 110          1HB       TYR 110   6.856  -5.044   1.139
  750   2HB   TYR 110          2HB       TYR 110   8.574  -4.725   0.965
  751    HD1  TYR 110           HD1      TYR 110   9.503  -4.299  -1.147
  752    HD2  TYR 110           HD2      TYR 110   5.579  -5.939  -0.897
  753    HE1  TYR 110           HE1      TYR 110   9.192  -3.921  -3.555
  754    HE2  TYR 110           HE2      TYR 110   5.268  -5.565  -3.303
  755    HH   TYR 110           HH       TYR 110   6.995  -3.562  -5.095
  756    H    SER 111           H        SER 111   6.466  -7.386   2.912
  757    HA   SER 111           HA       SER 111   4.608  -8.789   1.103
  758   1HB   SER 111          1HB       SER 111   4.516  -9.485   3.977
  759   2HB   SER 111          2HB       SER 111   4.396 -10.528   2.559
  760    HG   SER 111           HG       SER 111   6.843  -9.642   2.544
  761    H    LEU 112           H        LEU 112   3.154  -7.164   0.739
  762    HA   LEU 112           HA       LEU 112   2.140  -5.754   3.114
  763   1HB   LEU 112          1HB       LEU 112   3.174  -4.243   1.551
  764   2HB   LEU 112          2HB       LEU 112   2.221  -4.892   0.229
  765    HG   LEU 112           HG       LEU 112   0.341  -4.043   2.113
  766   1HD1  LEU 112          1HD1      LEU 112   1.438  -1.512   1.861
  767   2HD1  LEU 112          2HD1      LEU 112   1.313  -2.470   3.337
  768   3HD1  LEU 112          3HD1      LEU 112   2.788  -2.529   2.369
  769   1HD2  LEU 112          1HD2      LEU 112   0.858  -2.100   0.046
  770   2HD2  LEU 112          2HD2      LEU 112   0.931  -3.744  -0.586
  771   3HD2  LEU 112          3HD2      LEU 112  -0.515  -3.187   0.255
  772    H    ASP 113           H        ASP 113   0.089  -5.904   3.653
  773    HA   ASP 113           HA       ASP 113  -1.783  -7.162   1.757
  774   1HB   ASP 113          1HB       ASP 113  -1.039  -7.984   4.468
  775   2HB   ASP 113          2HB       ASP 113  -2.775  -7.818   4.236
  776    H    ALA 114           H        ALA 114  -3.126  -5.602   1.168
  777    HA   ALA 114           HA       ALA 114  -4.432  -4.040   3.301
  778   1HB   ALA 114          1HB       ALA 114  -2.880  -3.044   1.165
  779   2HB   ALA 114          2HB       ALA 114  -4.567  -2.696   0.776
  780   3HB   ALA 114          3HB       ALA 114  -3.882  -2.130   2.297
  781    H    THR 115           H        THR 115  -6.521  -4.703   3.426
  782    HA   THR 115           HA       THR 115  -7.964  -5.193   0.948
  783    HB   THR 115           HB       THR 115  -7.826  -7.326   3.072
  784    HG1  THR 115           HG1      THR 115  -6.203  -6.803   0.976
  785   1HG2  THR 115          1HG2      THR 115  -9.610  -8.224   2.115
  786   2HG2  THR 115          2HG2      THR 115  -8.806  -8.208   0.544
  787   3HG2  THR 115          3HG2      THR 115  -9.741  -6.808   1.074
  788    H    VAL 116           H        VAL 116  -9.599  -3.818   1.219
  789    HA   VAL 116           HA       VAL 116 -11.467  -4.647   3.306
  790    HB   VAL 116           HB       VAL 116 -10.463  -2.175   3.516
  791   1HG1  VAL 116          1HG1      VAL 116 -12.947  -1.261   2.321
  792   2HG1  VAL 116          2HG1      VAL 116 -11.317  -0.605   2.172
  793   3HG1  VAL 116          3HG1      VAL 116 -11.835  -1.927   1.127
  794   1HG2  VAL 116          1HG2      VAL 116 -11.819  -2.600   5.246
  795   2HG2  VAL 116          2HG2      VAL 116 -13.063  -1.776   4.301
  796   3HG2  VAL 116          3HG2      VAL 116 -12.939  -3.542   4.246
  797    H    HIS 117           H        HIS 117 -13.787  -3.735   2.539
  798    HA   HIS 117           HA       HIS 117 -15.501  -4.290   1.177
  799   1HB   HIS 117          1HB       HIS 117 -15.344  -3.749  -1.007
  800   2HB   HIS 117          2HB       HIS 117 -13.660  -3.357  -0.696
  801    HD1  HIS 117           HD1      HIS 117 -11.879  -5.038  -1.531
  802    HD2  HIS 117           HD2      HIS 117 -15.778  -6.091  -2.499
  803    HE1  HIS 117           HE1      HIS 117 -11.677  -6.851  -3.255
  804    HE2  HIS 117           HE2      HIS 117 -14.034  -7.665  -3.575
  805    H    ASP 118           H        ASP 118 -16.494  -6.197   1.279
  806    HA   ASP 118           HA       ASP 118 -14.848  -8.256   2.376
  807   1HB   ASP 118          1HB       ASP 118 -17.312  -7.490   2.995
  808   2HB   ASP 118          2HB       ASP 118 -17.750  -8.726   1.819
  809    H    ASP 119           H        ASP 119 -13.905  -9.834   1.251
  810    HA   ASP 119           HA       ASP 119 -13.643 -11.657  -0.083
  811   1HB   ASP 119          1HB       ASP 119 -15.971 -12.180   0.575
  812   2HB   ASP 119          2HB       ASP 119 -16.557 -11.254  -0.798
  813    H    LYS 120           H        LYS 120 -13.617 -12.374  -2.371
  814    HA   LYS 120           HA       LYS 120 -13.435 -12.139  -4.618
  815   1HB   LYS 120          1HB       LYS 120 -15.590 -10.953  -4.541
  816   2HB   LYS 120          2HB       LYS 120 -14.744  -9.444  -4.233
  817   1HG   LYS 120          1HG       LYS 120 -13.916  -9.319  -6.393
  818   2HG   LYS 120          2HG       LYS 120 -14.146 -11.045  -6.689
  819   1HD   LYS 120          1HD       LYS 120 -16.593 -10.691  -6.615
  820   2HD   LYS 120          2HD       LYS 120 -16.316  -8.959  -6.419
  821   1HE   LYS 120          1HE       LYS 120 -16.825  -9.648  -8.757
  822   2HE   LYS 120          2HE       LYS 120 -15.283  -8.813  -8.573
  823   1HZ   LYS 120          1HZ       LYS 120 -14.162 -10.600  -9.251
  824   2HZ   LYS 120          2HZ       LYS 120 -15.649 -11.172  -9.840
  825   3HZ   LYS 120          3HZ       LYS 120 -15.090 -11.677  -8.319
  826    H    GLU 121           H        GLU 121 -11.332 -12.094  -5.053
  827    HA   GLU 121           HA       GLU 121  -9.613  -9.915  -4.445
  828   1HB   GLU 121          1HB       GLU 121  -8.383 -11.846  -4.755
  829   2HB   GLU 121          2HB       GLU 121  -9.391 -12.405  -6.080
  830   1HG   GLU 121          1HG       GLU 121  -8.230 -11.217  -7.654
  831   2HG   GLU 121          2HG       GLU 121  -7.716  -9.986  -6.506
  832    H    ASP 122           H        ASP 122  -9.767  -7.983  -5.323
  833    HA   ASP 122           HA       ASP 122 -10.310  -7.792  -8.207
  834   1HB   ASP 122          1HB       ASP 122 -12.110  -6.909  -6.476
  835   2HB   ASP 122          2HB       ASP 122 -11.027  -5.521  -6.398
  836    H    SER 123           H        SER 123  -7.811  -8.144  -7.325
  837    HA   SER 123           HA       SER 123  -6.477  -5.623  -6.934
  838   1HB   SER 123          1HB       SER 123  -4.900  -8.024  -7.656
  839   2HB   SER 123          2HB       SER 123  -4.687  -6.891  -6.317
  840    HG   SER 123           HG       SER 123  -5.678  -9.294  -6.148
  841    H    ASP 124           H        ASP 124  -4.613  -5.046  -8.360
  842    HA   ASP 124           HA       ASP 124  -4.516  -5.840 -11.076
  843   1HB   ASP 124          1HB       ASP 124  -6.713  -4.424 -10.860
  844   2HB   ASP 124          2HB       ASP 124  -5.615  -3.054 -10.750
  845    H    VAL 125           H        VAL 125  -3.227  -4.071 -12.333
  846    HA   VAL 125           HA       VAL 125  -1.518  -2.443 -10.652
  847    HB   VAL 125           HB       VAL 125   0.036  -4.063 -10.425
  848   1HG1  VAL 125          1HG1      VAL 125   0.263  -6.006 -12.026
  849   2HG1  VAL 125          2HG1      VAL 125  -1.240  -5.895 -11.108
  850   3HG1  VAL 125          3HG1      VAL 125  -1.205  -5.404 -12.800
  851   1HG2  VAL 125          1HG2      VAL 125   1.791  -3.565 -11.716
  852   2HG2  VAL 125          2HG2      VAL 125   0.970  -4.063 -13.196
  853   3HG2  VAL 125          3HG2      VAL 125   0.699  -2.449 -12.536
  854    H    LEU 126           H        LEU 126  -2.098  -3.749 -13.899
  855    HA   LEU 126           HA       LEU 126  -2.298  -2.776 -15.936
  856   1HB   LEU 126          1HB       LEU 126  -3.361  -0.900 -14.309
  857   2HB   LEU 126          2HB       LEU 126  -2.018   0.008 -14.977
  858    HG   LEU 126           HG       LEU 126  -3.280  -1.247 -17.161
  859   1HD1  LEU 126          1HD1      LEU 126  -5.244  -1.626 -15.819
  860   2HD1  LEU 126          2HD1      LEU 126  -5.238   0.050 -15.272
  861   3HD1  LEU 126          3HD1      LEU 126  -5.564  -0.322 -16.965
  862   1HD2  LEU 126          1HD2      LEU 126  -2.097   1.011 -16.888
  863   2HD2  LEU 126          2HD2      LEU 126  -3.483   0.931 -17.975
  864   3HD2  LEU 126          3HD2      LEU 126  -3.667   1.616 -16.360
  865    H    THR 127           H        THR 127  -0.161  -0.557 -14.127
  866    HA   THR 127           HA       THR 127   2.061  -1.333 -15.861
  867    HB   THR 127           HB       THR 127   2.041   1.550 -15.413
  868    HG1  THR 127           HG1      THR 127  -0.262   0.425 -16.249
  869   1HG2  THR 127          1HG2      THR 127   3.269  -0.199 -17.104
  870   2HG2  THR 127          2HG2      THR 127   3.191   1.546 -17.348
  871   3HG2  THR 127          3HG2      THR 127   2.028   0.491 -18.150
  872    H    LYS 128           H        LYS 128   3.990  -1.354 -14.799
  873    HA   LYS 128           HA       LYS 128   4.020  -0.733 -11.983
  874   1HB   LYS 128          1HB       LYS 128   6.190  -1.662 -13.874
  875   2HB   LYS 128          2HB       LYS 128   6.436  -1.412 -12.150
  876   1HG   LYS 128          1HG       LYS 128   4.205  -3.039 -12.272
  877   2HG   LYS 128          2HG       LYS 128   5.256  -3.650 -13.551
  878   1HD   LYS 128          1HD       LYS 128   6.999  -3.237 -11.463
  879   2HD   LYS 128          2HD       LYS 128   5.541  -3.818 -10.653
  880   1HE   LYS 128          1HE       LYS 128   5.708  -5.509 -12.786
  881   2HE   LYS 128          2HE       LYS 128   7.410  -5.224 -12.423
  882   1HZ   LYS 128          1HZ       LYS 128   6.030  -7.105 -11.237
  883   2HZ   LYS 128          2HZ       LYS 128   5.634  -5.839 -10.180
  884   3HZ   LYS 128          3HZ       LYS 128   7.260  -6.263 -10.428
  885    H    CYS 129           H        CYS 129   3.985   1.340 -11.458
  886    HA   CYS 129           HA       CYS 129   4.835   3.443 -13.111
  887   1HB   CYS 129          1HB       CYS 129   4.741   4.600 -10.661
  888   2HB   CYS 129          2HB       CYS 129   3.326   4.294 -11.663
  889    HA   PRO 130           HA       PRO 130   9.169   3.391 -11.949
  890   1HB   PRO 130          1HB       PRO 130  10.012   5.056 -13.881
  891   2HB   PRO 130          2HB       PRO 130   9.581   3.376 -14.223
  892   1HG   PRO 130          1HG       PRO 130   8.027   5.872 -14.723
  893   2HG   PRO 130          2HG       PRO 130   8.141   4.404 -15.707
  894   1HD   PRO 130          1HD       PRO 130   6.051   5.027 -13.987
  895   2HD   PRO 130          2HD       PRO 130   6.432   3.405 -14.593
  896    H    VAL 131           H        VAL 131   8.503   4.505  -9.968
  897    HA   VAL 131           HA       VAL 131   8.150   7.319  -9.865
  898    HB   VAL 131           HB       VAL 131   9.124   5.557  -7.609
  899   1HG1  VAL 131          1HG1      VAL 131   7.291   7.835  -7.171
  900   2HG1  VAL 131          2HG1      VAL 131   8.626   7.244  -6.183
  901   3HG1  VAL 131          3HG1      VAL 131   8.953   8.226  -7.610
  902   1HG2  VAL 131          1HG2      VAL 131   7.173   4.498  -7.595
  903   2HG2  VAL 131          2HG2      VAL 131   6.333   6.042  -7.437
  904   3HG2  VAL 131          3HG2      VAL 131   6.678   5.384  -9.038
  Start of MODEL   11
    1   1H    ARG  14          1H        ARG  14  -2.435 -14.514  13.212
    2    HA   ARG  14           HA       ARG  14  -4.738 -15.701  14.420
    3   1HB   ARG  14          1HB       ARG  14  -3.466 -13.009  14.442
    4   2HB   ARG  14          2HB       ARG  14  -5.156 -13.111  14.909
    5   1HG   ARG  14          1HG       ARG  14  -2.790 -14.424  16.211
    6   2HG   ARG  14          2HG       ARG  14  -3.903 -13.241  16.899
    7   1HD   ARG  14          1HD       ARG  14  -4.940 -15.011  17.796
    8   2HD   ARG  14          2HD       ARG  14  -5.588 -15.276  16.177
    9    HE   ARG  14           HE       ARG  14  -3.028 -16.517  16.899
   10   1HH1  ARG  14          1HH1      ARG  14  -6.449 -16.866  16.237
   11   2HH1  ARG  14          2HH1      ARG  14  -6.358 -18.577  15.954
   12   1HH2  ARG  14          1HH2      ARG  14  -2.884 -18.760  16.489
   13   2HH2  ARG  14          2HH2      ARG  14  -4.316 -19.653  16.060
   14    H    ILE  15           H        ILE  15  -4.138 -13.886  11.538
   15    HA   ILE  15           HA       ILE  15  -7.016 -13.561  11.064
   16    HB   ILE  15           HB       ILE  15  -4.893 -12.430   9.264
   17   1HG1  ILE  15          1HG1      ILE  15  -5.852 -10.474  11.162
   18   2HG1  ILE  15          2HG1      ILE  15  -5.084 -11.814  12.010
   19   1HG2  ILE  15          1HG2      ILE  15  -7.511 -11.177   9.997
   20   2HG2  ILE  15          2HG2      ILE  15  -6.550 -10.982   8.531
   21   3HG2  ILE  15          3HG2      ILE  15  -7.437 -12.481   8.812
   22   1HD1  ILE  15          1HD1      ILE  15  -3.794 -10.336   9.737
   23   2HD1  ILE  15          2HD1      ILE  15  -3.577  -9.910  11.436
   24   3HD1  ILE  15          3HD1      ILE  15  -3.044 -11.484  10.845
   25    HA   PRO  16           HA       PRO  16  -6.652 -17.223   8.532
   26   1HB   PRO  16          1HB       PRO  16  -9.209 -17.127   7.546
   27   2HB   PRO  16          2HB       PRO  16  -8.783 -17.787   9.129
   28   1HG   PRO  16          1HG       PRO  16  -9.882 -15.100   8.425
   29   2HG   PRO  16          2HG       PRO  16 -10.289 -16.156   9.789
   30   1HD   PRO  16          1HD       PRO  16  -8.668 -14.014  10.063
   31   2HD   PRO  16          2HD       PRO  16  -8.449 -15.494  11.018
   32    H    ASN  17           H        ASN  17  -8.268 -14.321   7.211
   33    HA   ASN  17           HA       ASN  17  -7.059 -14.978   4.608
   34   1HB   ASN  17          1HB       ASN  17  -9.422 -15.204   4.371
   35   2HB   ASN  17          2HB       ASN  17  -9.718 -13.692   5.226
   36   1HD2  ASN  17          1HD2      ASN  17 -10.350 -12.134   3.929
   37   2HD2  ASN  17          2HD2      ASN  17  -9.831 -11.888   2.296
   38    H    ILE  18           H        ILE  18  -5.538 -13.666   4.018
   39    HA   ILE  18           HA       ILE  18  -5.937 -10.797   4.203
   40    HB   ILE  18           HB       ILE  18  -4.365 -11.959   6.119
   41   1HG1  ILE  18          1HG1      ILE  18  -3.697  -9.246   5.013
   42   2HG1  ILE  18          2HG1      ILE  18  -5.246  -9.561   5.790
   43   1HG2  ILE  18          1HG2      ILE  18  -2.341 -12.464   5.391
   44   2HG2  ILE  18          2HG2      ILE  18  -2.775 -11.946   3.762
   45   3HG2  ILE  18          3HG2      ILE  18  -2.117 -10.781   4.907
   46   1HD1  ILE  18          1HD1      ILE  18  -2.933 -10.455   7.335
   47   2HD1  ILE  18          2HD1      ILE  18  -2.994  -8.716   7.053
   48   3HD1  ILE  18          3HD1      ILE  18  -4.349  -9.531   7.835
   49    H    ALA  19           H        ALA  19  -4.631  -9.647   2.620
   50    HA   ALA  19           HA       ALA  19  -3.749 -11.435   0.462
   51   1HB   ALA  19          1HB       ALA  19  -4.926  -8.679   0.414
   52   2HB   ALA  19          2HB       ALA  19  -4.064  -9.349  -0.971
   53   3HB   ALA  19          3HB       ALA  19  -5.516 -10.147  -0.364
   54    H    THR  20           H        THR  20  -1.662 -11.720   1.243
   55    HA   THR  20           HA       THR  20   0.088  -9.524   1.758
   56    HB   THR  20           HB       THR  20   0.939 -12.341   1.092
   57    HG1  THR  20           HG1      THR  20  -0.158 -11.263   3.496
   58   1HG2  THR  20          1HG2      THR  20   2.746 -10.727   1.277
   59   2HG2  THR  20          2HG2      THR  20   2.771 -11.812   2.669
   60   3HG2  THR  20          3HG2      THR  20   2.129 -10.176   2.834
   61    H    TYR  21           H        TYR  21   0.412  -8.171   0.102
   62    HA   TYR  21           HA       TYR  21   0.859  -9.102  -2.592
   63   1HB   TYR  21          1HB       TYR  21   1.132  -6.342  -1.373
   64   2HB   TYR  21          2HB       TYR  21   1.283  -6.700  -3.087
   65    HD1  TYR  21           HD1      TYR  21  -1.092  -8.827  -2.863
   66    HD2  TYR  21           HD2      TYR  21  -0.630  -4.723  -1.850
   67    HE1  TYR  21           HE1      TYR  21  -3.512  -8.490  -3.145
   68    HE2  TYR  21           HE2      TYR  21  -3.047  -4.375  -2.126
   69    HH   TYR  21           HH       TYR  21  -4.937  -5.352  -3.200
   70    H    THR  22           H        THR  22   2.666 -10.493  -2.045
   71    HA   THR  22           HA       THR  22   5.163  -9.403  -1.225
   72    HB   THR  22           HB       THR  22   4.856 -11.888  -2.885
   73    HG1  THR  22           HG1      THR  22   4.754 -12.444  -0.256
   74   1HG2  THR  22          1HG2      THR  22   6.661 -12.656  -1.292
   75   2HG2  THR  22          2HG2      THR  22   6.742 -10.989  -0.720
   76   3HG2  THR  22          3HG2      THR  22   7.120 -11.364  -2.401
   77    H    GLY  23           H        GLY  23   6.548  -8.214  -2.390
   78   1HA   GLY  23          1HA       GLY  23   6.684  -8.561  -5.283
   79   2HA   GLY  23          2HA       GLY  23   6.175  -6.981  -4.706
   80    H    THR  24           H        THR  24   8.454  -7.382  -6.262
   81    HA   THR  24           HA       THR  24  10.693  -7.125  -4.403
   82    HB   THR  24           HB       THR  24  11.557  -6.865  -7.099
   83    HG1  THR  24           HG1      THR  24  10.720  -8.828  -7.962
   84   1HG2  THR  24          1HG2      THR  24  12.335  -8.165  -4.807
   85   2HG2  THR  24          2HG2      THR  24  13.099  -8.339  -6.385
   86   3HG2  THR  24          3HG2      THR  24  11.879  -9.502  -5.867
   87    H    ILE  25           H        ILE  25  11.887  -5.279  -4.216
   88    HA   ILE  25           HA       ILE  25  10.827  -2.903  -5.602
   89    HB   ILE  25           HB       ILE  25  10.374  -3.272  -3.050
   90   1HG1  ILE  25          1HG1      ILE  25  10.420  -1.072  -4.718
   91   2HG1  ILE  25          2HG1      ILE  25   9.692  -1.142  -3.121
   92   1HG2  ILE  25          1HG2      ILE  25  13.232  -2.379  -3.059
   93   2HG2  ILE  25          2HG2      ILE  25  12.158  -2.062  -1.697
   94   3HG2  ILE  25          3HG2      ILE  25  12.492  -3.723  -2.190
   95   1HD1  ILE  25          1HD1      ILE  25  11.401   0.029  -2.145
   96   2HD1  ILE  25          2HD1      ILE  25  12.576  -0.439  -3.375
   97   3HD1  ILE  25          3HD1      ILE  25  11.344   0.767  -3.745
   98    H    GLN  26           H        GLN  26  12.388  -1.123  -5.819
   99    HA   GLN  26           HA       GLN  26  14.944  -2.198  -6.672
  100   1HB   GLN  26          1HB       GLN  26  14.390   0.714  -6.885
  101   2HB   GLN  26          2HB       GLN  26  15.128  -0.376  -8.048
  102   1HG   GLN  26          1HG       GLN  26  12.677  -1.340  -8.182
  103   2HG   GLN  26          2HG       GLN  26  12.266   0.273  -7.602
  104   1HE2  GLN  26          1HE2      GLN  26  12.871   2.082  -8.878
  105   2HE2  GLN  26          2HE2      GLN  26  13.095   1.919 -10.585
  106    H    GLY  27           H        GLY  27  16.968  -1.360  -6.009
  107   1HA   GLY  27          1HA       GLY  27  17.234  -0.940  -3.246
  108   2HA   GLY  27          2HA       GLY  27  18.494  -0.682  -4.441
  109    H    LYS  28           H        LYS  28  16.791   0.757  -2.077
  110    HA   LYS  28           HA       LYS  28  16.618   2.869  -1.306
  111   1HB   LYS  28          1HB       LYS  28  18.896   2.930  -3.037
  112   2HB   LYS  28          2HB       LYS  28  18.022   4.449  -3.188
  113   1HG   LYS  28          1HG       LYS  28  19.638   4.745  -1.489
  114   2HG   LYS  28          2HG       LYS  28  18.072   4.616  -0.688
  115   1HD   LYS  28          1HD       LYS  28  18.522   2.489   0.128
  116   2HD   LYS  28          2HD       LYS  28  19.774   2.185  -1.079
  117   1HE   LYS  28          1HE       LYS  28  20.386   4.467   0.617
  118   2HE   LYS  28          2HE       LYS  28  20.172   2.978   1.540
  119   1HZ   LYS  28          1HZ       LYS  28  22.484   3.546   0.624
  120   2HZ   LYS  28          2HZ       LYS  28  21.877   3.020  -0.870
  121   3HZ   LYS  28          3HZ       LYS  28  21.922   1.956   0.448
  122    H    GLY  29           H        GLY  29  14.486   2.064  -2.680
  123   1HA   GLY  29          1HA       GLY  29  13.695   4.498  -4.167
  124   2HA   GLY  29          2HA       GLY  29  13.167   2.893  -4.657
  125    H    GLU  30           H        GLU  30  11.205   4.632  -4.266
  126    HA   GLU  30           HA       GLU  30   9.877   3.506  -1.909
  127   1HB   GLU  30          1HB       GLU  30   9.062   6.275  -2.318
  128   2HB   GLU  30          2HB       GLU  30   9.508   5.454  -0.830
  129   1HG   GLU  30          1HG       GLU  30  11.612   6.245  -0.864
  130   2HG   GLU  30          2HG       GLU  30  11.742   6.132  -2.618
  131    H    VAL  31           H        VAL  31   8.188   2.443  -2.779
  132    HA   VAL  31           HA       VAL  31   6.499   3.728  -4.766
  133    HB   VAL  31           HB       VAL  31   8.167   3.067  -6.271
  134   1HG1  VAL  31          1HG1      VAL  31   9.719   1.608  -5.630
  135   2HG1  VAL  31          2HG1      VAL  31   8.706   1.100  -4.270
  136   3HG1  VAL  31          3HG1      VAL  31   8.555   0.298  -5.840
  137   1HG2  VAL  31          1HG2      VAL  31   5.731   2.127  -6.616
  138   2HG2  VAL  31          2HG2      VAL  31   7.040   1.700  -7.718
  139   3HG2  VAL  31          3HG2      VAL  31   6.557   0.575  -6.447
  140    H    CYS  32           H        CYS  32   4.419   3.112  -3.909
  141    HA   CYS  32           HA       CYS  32   3.887   0.507  -4.842
  142   1HB   CYS  32          1HB       CYS  32   4.156   0.649  -2.068
  143   2HB   CYS  32          2HB       CYS  32   2.450   0.367  -2.422
  144    H    ILE  33           H        ILE  33   1.386  -0.058  -4.228
  145    HA   ILE  33           HA       ILE  33  -0.118   1.852  -5.827
  146    HB   ILE  33           HB       ILE  33  -1.866  -0.135  -4.890
  147   1HG1  ILE  33          1HG1      ILE  33  -0.294  -2.072  -5.964
  148   2HG1  ILE  33          2HG1      ILE  33   0.908  -1.128  -5.092
  149   1HG2  ILE  33          1HG2      ILE  33  -0.952  -0.909  -7.404
  150   2HG2  ILE  33          2HG2      ILE  33  -2.357   0.087  -7.013
  151   3HG2  ILE  33          3HG2      ILE  33  -0.802   0.848  -7.344
  152   1HD1  ILE  33          1HD1      ILE  33  -1.456  -2.612  -4.022
  153   2HD1  ILE  33          2HD1      ILE  33   0.242  -2.738  -3.565
  154   3HD1  ILE  33          3HD1      ILE  33  -0.692  -1.319  -3.096
  155    H    ILE  34           H        ILE  34  -2.628   1.968  -5.082
  156    HA   ILE  34           HA       ILE  34  -4.287   2.411  -3.586
  157    HB   ILE  34           HB       ILE  34  -2.560   1.330  -1.367
  158   1HG1  ILE  34          1HG1      ILE  34  -2.761  -0.095  -3.600
  159   2HG1  ILE  34          2HG1      ILE  34  -2.844  -0.857  -2.016
  160   1HG2  ILE  34          1HG2      ILE  34  -5.494   1.646  -1.810
  161   2HG2  ILE  34          2HG2      ILE  34  -4.895   0.385  -0.732
  162   3HG2  ILE  34          3HG2      ILE  34  -4.514   2.076  -0.408
  163   1HD1  ILE  34          1HD1      ILE  34  -4.890  -0.580  -4.097
  164   2HD1  ILE  34          2HD1      ILE  34  -4.676  -1.826  -2.869
  165   3HD1  ILE  34          3HD1      ILE  34  -5.458  -0.301  -2.451
  166    H    GLY  35           H        GLY  35  -4.887   3.749  -1.584
  167   1HA   GLY  35          1HA       GLY  35  -2.956   5.293  -0.237
  168   2HA   GLY  35          2HA       GLY  35  -3.579   6.224  -1.586
  169    H    ASN  36           H        ASN  36  -3.796   6.181   1.515
  170    HA   ASN  36           HA       ASN  36  -6.687   6.722   1.650
  171   1HB   ASN  36          1HB       ASN  36  -6.561   4.715   2.827
  172   2HB   ASN  36          2HB       ASN  36  -4.939   5.046   3.420
  173   1HD2  ASN  36          1HD2      ASN  36  -4.739   5.683   5.428
  174   2HD2  ASN  36          2HD2      ASN  36  -6.012   6.284   6.438
  175    H    LYS  37           H        LYS  37  -7.199   8.178   3.611
  176    HA   LYS  37           HA       LYS  37  -5.303  10.360   3.691
  177   1HB   LYS  37          1HB       LYS  37  -8.100   9.921   4.616
  178   2HB   LYS  37          2HB       LYS  37  -7.160  11.154   5.444
  179   1HG   LYS  37          1HG       LYS  37  -7.008  12.487   3.573
  180   2HG   LYS  37          2HG       LYS  37  -7.266  11.141   2.465
  181   1HD   LYS  37          1HD       LYS  37  -9.555  11.419   4.147
  182   2HD   LYS  37          2HD       LYS  37  -9.164  12.989   3.445
  183   1HE   LYS  37          1HE       LYS  37  -9.048  10.716   1.585
  184   2HE   LYS  37          2HE       LYS  37 -10.651  11.083   2.220
  185   1HZ   LYS  37          1HZ       LYS  37 -10.528  13.275   1.381
  186   2HZ   LYS  37          2HZ       LYS  37 -10.036  12.255   0.118
  187   3HZ   LYS  37          3HZ       LYS  37  -8.880  13.130   1.003
  188    H    GLU  38           H        GLU  38  -6.948   9.939   6.660
  189    HA   GLU  38           HA       GLU  38  -4.439   9.291   7.996
  190   1HB   GLU  38          1HB       GLU  38  -6.803  10.784   8.698
  191   2HB   GLU  38          2HB       GLU  38  -6.501   9.538   9.902
  192   1HG   GLU  38          1HG       GLU  38  -4.655  11.747   9.036
  193   2HG   GLU  38          2HG       GLU  38  -5.408  11.522  10.613
  194    H    GLY  39           H        GLY  39  -4.688   7.718   9.935
  195   1HA   GLY  39          1HA       GLY  39  -6.357   5.453   9.054
  196   2HA   GLY  39          2HA       GLY  39  -4.628   5.234   9.245
  197    H    LYS  40           H        LYS  40  -7.604   4.985  10.716
  198    HA   LYS  40           HA       LYS  40  -6.249   4.277  13.228
  199   1HB   LYS  40          1HB       LYS  40  -8.847   5.799  12.948
  200   2HB   LYS  40          2HB       LYS  40  -8.347   5.014  14.440
  201   1HG   LYS  40          1HG       LYS  40  -6.371   6.433  14.544
  202   2HG   LYS  40          2HG       LYS  40  -6.831   7.195  13.020
  203   1HD   LYS  40          1HD       LYS  40  -9.065   7.343  14.747
  204   2HD   LYS  40          2HD       LYS  40  -7.651   7.848  15.673
  205   1HE   LYS  40          1HE       LYS  40  -7.075   9.398  13.804
  206   2HE   LYS  40          2HE       LYS  40  -8.610   8.973  13.048
  207   1HZ   LYS  40          1HZ       LYS  40  -8.218  10.304  15.672
  208   2HZ   LYS  40          2HZ       LYS  40  -9.719   9.757  15.101
  209   3HZ   LYS  40          3HZ       LYS  40  -8.894  10.988  14.273
  210    H    THR  41           H        THR  41  -8.981   3.850  11.046
  211    HA   THR  41           HA       THR  41  -9.827   1.407  12.328
  212    HB   THR  41           HB       THR  41 -10.980   1.540   9.767
  213    HG1  THR  41           HG1      THR  41 -10.234   3.697   9.589
  214   1HG2  THR  41          1HG2      THR  41 -12.946   2.485  11.236
  215   2HG2  THR  41          2HG2      THR  41 -11.853   2.099  12.566
  216   3HG2  THR  41          3HG2      THR  41 -12.375   0.831  11.457
  217    H    ARG  42           H        ARG  42  -9.997  -0.631  11.080
  218    HA   ARG  42           HA       ARG  42  -8.015  -0.989   8.974
  219   1HB   ARG  42          1HB       ARG  42  -7.122  -3.025  10.210
  220   2HB   ARG  42          2HB       ARG  42  -6.633  -1.461  10.842
  221   1HG   ARG  42          1HG       ARG  42  -7.818  -1.699  12.762
  222   2HG   ARG  42          2HG       ARG  42  -9.061  -2.694  12.004
  223   1HD   ARG  42          1HD       ARG  42  -7.752  -4.632  12.131
  224   2HD   ARG  42          2HD       ARG  42  -6.267  -3.713  12.390
  225    HE   ARG  42           HE       ARG  42  -6.800  -3.486  14.629
  226   1HH1  ARG  42          1HH1      ARG  42  -9.382  -5.109  12.897
  227   2HH1  ARG  42          2HH1      ARG  42 -10.270  -5.514  14.342
  228   1HH2  ARG  42          1HH2      ARG  42  -7.925  -4.046  16.528
  229   2HH2  ARG  42          2HH2      ARG  42  -9.403  -4.959  16.415
  230    H    GLY  43           H        GLY  43  -8.049  -3.582   8.527
  231   1HA   GLY  43          1HA       GLY  43  -9.297  -5.484   8.070
  232   2HA   GLY  43          2HA       GLY  43 -10.655  -4.759   8.917
  233    H    GLY  44           H        GLY  44  -8.960  -3.123   6.337
  234   1HA   GLY  44          1HA       GLY  44 -10.737  -3.951   4.266
  235   2HA   GLY  44          2HA       GLY  44 -11.177  -2.376   4.908
  236    H    GLU  45           H        GLU  45 -10.610  -2.286   2.388
  237    HA   GLU  45           HA       GLU  45  -7.930  -2.059   1.589
  238   1HB   GLU  45          1HB       GLU  45 -10.443  -0.750   0.532
  239   2HB   GLU  45          2HB       GLU  45  -8.887  -0.690  -0.285
  240   1HG   GLU  45          1HG       GLU  45  -9.919  -2.426  -1.375
  241   2HG   GLU  45          2HG       GLU  45  -8.997  -3.278  -0.142
  242    H    LEU  46           H        LEU  46  -6.751  -0.085   1.053
  243    HA   LEU  46           HA       LEU  46  -5.937   1.991   1.400
  244   1HB   LEU  46          1HB       LEU  46  -8.427   2.351   3.048
  245   2HB   LEU  46          2HB       LEU  46  -7.169   3.566   2.974
  246    HG   LEU  46           HG       LEU  46  -9.188   2.806   0.932
  247   1HD1  LEU  46          1HD1      LEU  46  -9.042   5.248   0.528
  248   2HD1  LEU  46          2HD1      LEU  46  -9.479   4.817   2.182
  249   3HD1  LEU  46          3HD1      LEU  46  -7.833   5.336   1.813
  250   1HD2  LEU  46          1HD2      LEU  46  -6.531   2.660   0.194
  251   2HD2  LEU  46          2HD2      LEU  46  -7.897   2.954  -0.883
  252   3HD2  LEU  46          3HD2      LEU  46  -6.991   4.318  -0.220
  253    H    TYR  47           H        TYR  47  -6.503  -0.425   3.595
  254    HA   TYR  47           HA       TYR  47  -4.355   0.611   5.314
  255   1HB   TYR  47          1HB       TYR  47  -5.705   0.181   7.054
  256   2HB   TYR  47          2HB       TYR  47  -6.906  -0.552   6.002
  257    HD1  TYR  47           HD1      TYR  47  -7.216  -2.880   5.953
  258    HD2  TYR  47           HD2      TYR  47  -3.881  -1.271   8.038
  259    HE1  TYR  47           HE1      TYR  47  -6.794  -5.076   6.957
  260    HE2  TYR  47           HE2      TYR  47  -3.448  -3.475   9.053
  261    HH   TYR  47           HH       TYR  47  -5.016  -6.328   7.954
  262    H    ALA  48           H        ALA  48  -2.558  -0.659   5.591
  263    HA   ALA  48           HA       ALA  48  -2.417  -3.287   4.426
  264   1HB   ALA  48          1HB       ALA  48  -0.317  -1.970   3.118
  265   2HB   ALA  48          2HB       ALA  48  -1.762  -2.673   2.391
  266   3HB   ALA  48          3HB       ALA  48  -1.750  -0.973   2.855
  267    H    VAL  49           H        VAL  49  -0.970  -4.429   5.502
  268    HA   VAL  49           HA       VAL  49   0.824  -3.035   7.350
  269    HB   VAL  49           HB       VAL  49   0.197  -5.974   7.149
  270   1HG1  VAL  49          1HG1      VAL  49   2.024  -4.396   8.792
  271   2HG1  VAL  49          2HG1      VAL  49   0.963  -5.448   9.730
  272   3HG1  VAL  49          3HG1      VAL  49   1.999  -6.131   8.477
  273   1HG2  VAL  49          1HG2      VAL  49  -1.420  -3.859   8.110
  274   2HG2  VAL  49          2HG2      VAL  49  -1.737  -5.593   8.138
  275   3HG2  VAL  49          3HG2      VAL  49  -0.895  -4.828   9.487
  276    H    LEU  50           H        LEU  50   2.698  -2.502   6.356
  277    HA   LEU  50           HA       LEU  50   3.837  -4.127   4.279
  278   1HB   LEU  50          1HB       LEU  50   4.037  -1.545   4.709
  279   2HB   LEU  50          2HB       LEU  50   5.360  -2.011   5.755
  280    HG   LEU  50           HG       LEU  50   5.538  -1.447   3.062
  281   1HD1  LEU  50          1HD1      LEU  50   7.411  -3.059   4.784
  282   2HD1  LEU  50          2HD1      LEU  50   7.842  -2.242   3.282
  283   3HD1  LEU  50          3HD1      LEU  50   7.332  -1.300   4.683
  284   1HD2  LEU  50          1HD2      LEU  50   5.973  -3.403   1.847
  285   2HD2  LEU  50          2HD2      LEU  50   6.002  -4.405   3.298
  286   3HD2  LEU  50          3HD2      LEU  50   4.475  -3.747   2.714
  287    H    HIS  51           H        HIS  51   4.689  -6.043   4.791
  288    HA   HIS  51           HA       HIS  51   6.111  -6.359   7.338
  289   1HB   HIS  51          1HB       HIS  51   5.083  -8.336   5.308
  290   2HB   HIS  51          2HB       HIS  51   6.149  -8.806   6.625
  291    HD1  HIS  51           HD1      HIS  51   5.124  -8.274   9.123
  292    HD2  HIS  51           HD2      HIS  51   2.473  -8.380   5.912
  293    HE1  HIS  51           HE1      HIS  51   2.839  -8.620  10.128
  294    HE2  HIS  51           HE2      HIS  51   1.304  -8.926   8.144
  295    H    SER  52           H        SER  52   8.182  -7.338   7.398
  296    HA   SER  52           HA       SER  52   9.707  -7.025   4.898
  297   1HB   SER  52          1HB       SER  52  11.542  -6.753   6.957
  298   2HB   SER  52          2HB       SER  52  10.854  -5.438   6.008
  299    HG   SER  52           HG       SER  52   9.474  -6.437   8.267
  300    H    THR  53           H        THR  53   9.688  -9.171   4.282
  301    HA   THR  53           HA       THR  53  10.800 -11.104   6.191
  302    HB   THR  53           HB       THR  53   8.550 -11.527   5.069
  303    HG1  THR  53           HG1      THR  53  10.506 -13.549   4.617
  304   1HG2  THR  53          1HG2      THR  53   8.428 -12.278   2.848
  305   2HG2  THR  53          2HG2      THR  53  10.182 -12.398   2.704
  306   3HG2  THR  53          3HG2      THR  53   9.410 -10.814   2.782
  307    H    ASN  54           H        ASN  54  12.268  -9.080   4.696
  308    HA   ASN  54           HA       ASN  54  14.104 -10.791   3.167
  309   1HB   ASN  54          1HB       ASN  54  13.244  -9.674   1.365
  310   2HB   ASN  54          2HB       ASN  54  12.685  -8.320   2.335
  311   1HD2  ASN  54          1HD2      ASN  54  14.020  -6.569   2.644
  312   2HD2  ASN  54          2HD2      ASN  54  15.493  -6.346   1.767
  313    H    VAL  55           H        VAL  55  16.320  -9.913   3.076
  314    HA   VAL  55           HA       VAL  55  17.296  -9.300   5.616
  315    HB   VAL  55           HB       VAL  55  19.344  -8.446   4.052
  316   1HG1  VAL  55          1HG1      VAL  55  18.473 -11.114   5.032
  317   2HG1  VAL  55          2HG1      VAL  55  19.895 -11.018   3.993
  318   3HG1  VAL  55          3HG1      VAL  55  19.851 -10.127   5.515
  319   1HG2  VAL  55          1HG2      VAL  55  17.659  -8.972   2.091
  320   2HG2  VAL  55          2HG2      VAL  55  19.377  -9.348   1.948
  321   3HG2  VAL  55          3HG2      VAL  55  18.225 -10.621   2.354
  322    H    ASN  56           H        ASN  56  17.343  -7.532   6.746
  323    HA   ASN  56           HA       ASN  56  16.774  -5.376   7.310
  324   1HB   ASN  56          1HB       ASN  56  18.684  -3.931   7.038
  325   2HB   ASN  56          2HB       ASN  56  19.220  -5.570   7.360
  326   1HD2  ASN  56          1HD2      ASN  56  19.445  -2.889   5.317
  327   2HD2  ASN  56          2HD2      ASN  56  20.442  -3.611   4.094
  328    H    ALA  57           H        ALA  57  14.872  -5.541   5.762
  329    HA   ALA  57           HA       ALA  57  14.877  -4.159   3.317
  330   1HB   ALA  57          1HB       ALA  57  12.364  -3.855   4.666
  331   2HB   ALA  57          2HB       ALA  57  12.770  -4.865   3.279
  332   3HB   ALA  57          3HB       ALA  57  12.990  -5.485   4.916
  333    H    ASP  58           H        ASP  58  14.123  -3.104   6.603
  334    HA   ASP  58           HA       ASP  58  13.638  -1.056   7.497
  335   1HB   ASP  58          1HB       ASP  58  16.220  -1.177   7.064
  336   2HB   ASP  58          2HB       ASP  58  15.881   0.063   5.860
  337    H    MET  59           H        MET  59  11.727  -1.210   5.932
  338    HA   MET  59           HA       MET  59  11.860   0.909   3.907
  339   1HB   MET  59          1HB       MET  59   9.795  -1.287   4.179
  340   2HB   MET  59          2HB       MET  59   9.942  -0.143   2.854
  341   1HG   MET  59          1HG       MET  59  11.792  -1.193   1.975
  342   2HG   MET  59          2HG       MET  59  12.210  -1.959   3.506
  343   1HE   MET  59          1HE       MET  59  11.710  -4.730   0.959
  344   2HE   MET  59          2HE       MET  59  10.989  -3.429   0.012
  345   3HE   MET  59          3HE       MET  59  12.462  -3.134   0.936
  346    H    THR  60           H        THR  60  10.881   2.732   4.319
  347    HA   THR  60           HA       THR  60   8.946   2.866   6.488
  348    HB   THR  60           HB       THR  60   9.275   5.383   5.159
  349    HG1  THR  60           HG1      THR  60  11.685   3.967   5.755
  350   1HG2  THR  60          1HG2      THR  60  10.155   6.056   7.344
  351   2HG2  THR  60          2HG2      THR  60  10.320   4.362   7.804
  352   3HG2  THR  60          3HG2      THR  60   8.718   5.049   7.528
  353    H    LEU  61           H        LEU  61   6.945   2.303   5.938
  354    HA   LEU  61           HA       LEU  61   6.010   2.579   3.218
  355   1HB   LEU  61          1HB       LEU  61   5.399   0.592   4.492
  356   2HB   LEU  61          2HB       LEU  61   4.627   1.586   5.712
  357    HG   LEU  61           HG       LEU  61   3.060   2.379   3.855
  358   1HD1  LEU  61          1HD1      LEU  61   3.883  -0.154   2.480
  359   2HD1  LEU  61          2HD1      LEU  61   2.878   1.163   1.875
  360   3HD1  LEU  61          3HD1      LEU  61   4.615   1.398   2.070
  361   1HD2  LEU  61          1HD2      LEU  61   1.657   1.015   4.894
  362   2HD2  LEU  61          2HD2      LEU  61   2.302  -0.360   3.998
  363   3HD2  LEU  61          3HD2      LEU  61   3.027   0.106   5.536
  364    H    ILE  62           H        ILE  62   5.531   4.541   2.598
  365    HA   ILE  62           HA       ILE  62   4.035   6.277   4.449
  366    HB   ILE  62           HB       ILE  62   6.162   7.245   4.011
  367   1HG1  ILE  62          1HG1      ILE  62   4.114   8.594   2.238
  368   2HG1  ILE  62          2HG1      ILE  62   4.297   8.829   3.974
  369   1HG2  ILE  62          1HG2      ILE  62   7.118   7.595   1.855
  370   2HG2  ILE  62          2HG2      ILE  62   6.658   5.898   1.988
  371   3HG2  ILE  62          3HG2      ILE  62   5.659   7.012   1.054
  372   1HD1  ILE  62          1HD1      ILE  62   6.779   9.300   2.571
  373   2HD1  ILE  62          2HD1      ILE  62   5.473  10.319   1.965
  374   3HD1  ILE  62          3HD1      ILE  62   5.888  10.344   3.679
  375    H    LEU  63           H        LEU  63   2.273   7.167   3.914
  376    HA   LEU  63           HA       LEU  63   0.922   6.258   1.495
  377   1HB   LEU  63          1HB       LEU  63  -0.070   5.782   3.662
  378   2HB   LEU  63          2HB       LEU  63  -0.019   7.478   4.091
  379    HG   LEU  63           HG       LEU  63  -1.825   7.981   2.807
  380   1HD1  LEU  63          1HD1      LEU  63  -0.838   5.860   1.073
  381   2HD1  LEU  63          2HD1      LEU  63  -2.598   5.893   1.216
  382   3HD1  LEU  63          3HD1      LEU  63  -1.730   7.329   0.669
  383   1HD2  LEU  63          1HD2      LEU  63  -2.010   5.693   4.466
  384   2HD2  LEU  63          2HD2      LEU  63  -3.277   6.852   4.075
  385   3HD2  LEU  63          3HD2      LEU  63  -3.068   5.412   3.075
  386    H    LEU  64           H        LEU  64   0.617   7.642  -0.159
  387    HA   LEU  64           HA       LEU  64   0.857  10.530   0.380
  388   1HB   LEU  64          1HB       LEU  64   2.132   9.045  -1.914
  389   2HB   LEU  64          2HB       LEU  64   2.140  10.784  -1.697
  390    HG   LEU  64           HG       LEU  64   3.249  10.106   0.605
  391   1HD1  LEU  64          1HD1      LEU  64   3.163   7.732   0.309
  392   2HD1  LEU  64          2HD1      LEU  64   3.934   7.860  -1.273
  393   3HD1  LEU  64          3HD1      LEU  64   4.847   8.246   0.186
  394   1HD2  LEU  64          1HD2      LEU  64   4.484  11.572  -0.617
  395   2HD2  LEU  64          2HD2      LEU  64   5.485  10.129  -0.784
  396   3HD2  LEU  64          3HD2      LEU  64   4.388  10.597  -2.084
  397    H    ARG  65           H        ARG  65   0.013  11.904  -1.214
  398    HA   ARG  65           HA       ARG  65  -1.402  10.752  -3.462
  399   1HB   ARG  65          1HB       ARG  65  -3.329  12.419  -2.962
  400   2HB   ARG  65          2HB       ARG  65  -3.313  10.870  -2.144
  401   1HG   ARG  65          1HG       ARG  65  -3.353  11.877  -0.179
  402   2HG   ARG  65          2HG       ARG  65  -1.867  12.744  -0.566
  403   1HD   ARG  65          1HD       ARG  65  -3.597  14.201  -1.991
  404   2HD   ARG  65          2HD       ARG  65  -4.687  13.629  -0.730
  405    HE   ARG  65           HE       ARG  65  -2.669  14.525   0.743
  406   1HH1  ARG  65          1HH1      ARG  65  -4.297  16.004  -1.979
  407   2HH1  ARG  65          2HH1      ARG  65  -3.909  17.626  -1.492
  408   1HH2  ARG  65          1HH2      ARG  65  -2.174  16.625   1.401
  409   2HH2  ARG  65          2HH2      ARG  65  -2.709  17.981   0.453
  410    H    ASN  66           H        ASN  66  -0.357  11.719  -5.048
  411    HA   ASN  66           HA       ASN  66  -0.027  14.634  -4.972
  412   1HB   ASN  66          1HB       ASN  66   2.189  14.154  -4.552
  413   2HB   ASN  66          2HB       ASN  66   2.097  12.566  -5.304
  414   1HD2  ASN  66          1HD2      ASN  66   2.705  12.335  -7.399
  415   2HD2  ASN  66          2HD2      ASN  66   3.277  13.628  -8.397
  416    H    VAL  67           H        VAL  67   0.066  15.616  -7.086
  417    HA   VAL  67           HA       VAL  67  -0.279  13.944  -9.399
  418    HB   VAL  67           HB       VAL  67  -2.531  14.083  -8.221
  419   1HG1  VAL  67          1HG1      VAL  67  -2.047  16.896  -8.643
  420   2HG1  VAL  67          2HG1      VAL  67  -3.553  16.393  -9.413
  421   3HG1  VAL  67          3HG1      VAL  67  -3.302  16.099  -7.693
  422   1HG2  VAL  67          1HG2      VAL  67  -2.433  13.221 -10.422
  423   2HG2  VAL  67          2HG2      VAL  67  -3.750  14.393 -10.406
  424   3HG2  VAL  67          3HG2      VAL  67  -2.197  14.824 -11.121
  425    H    GLY  68           H        GLY  68   1.343  16.191  -8.229
  426   1HA   GLY  68          1HA       GLY  68   1.253  17.923 -10.624
  427   2HA   GLY  68          2HA       GLY  68   1.749  18.504  -9.037
  428    H    GLY  69           H        GLY  69   2.622  16.491 -11.759
  429   1HA   GLY  69          1HA       GLY  69   4.750  15.923 -12.506
  430   2HA   GLY  69          2HA       GLY  69   5.432  16.656 -11.057
  431    H    ASN  70           H        ASN  70   6.554  14.337 -11.712
  432    HA   ASN  70           HA       ASN  70   5.138  12.174 -10.374
  433   1HB   ASN  70          1HB       ASN  70   6.850  12.177 -12.504
  434   2HB   ASN  70          2HB       ASN  70   7.924  11.694 -11.192
  435   1HD2  ASN  70          1HD2      ASN  70   7.555   9.904 -13.095
  436   2HD2  ASN  70          2HD2      ASN  70   6.504   8.623 -12.578
  437    H    GLY  71           H        GLY  71   5.697  14.279  -8.698
  438   1HA   GLY  71          1HA       GLY  71   7.839  13.181  -6.988
  439   2HA   GLY  71          2HA       GLY  71   7.472  14.899  -7.089
  440    H    TRP  72           H        TRP  72   6.262  11.773  -6.035
  441    HA   TRP  72           HA       TRP  72   3.874  12.630  -4.847
  442   1HB   TRP  72          1HB       TRP  72   5.661  10.333  -4.025
  443   2HB   TRP  72          2HB       TRP  72   3.960  10.522  -3.605
  444    HD1  TRP  72           HD1      TRP  72   6.219   9.279  -6.349
  445    HE1  TRP  72           HE1      TRP  72   4.797   8.304  -8.258
  446    HE3  TRP  72           HE3      TRP  72   1.627  10.902  -4.834
  447    HZ2  TRP  72           HZ2      TRP  72   2.083   8.219  -9.012
  448    HZ3  TRP  72           HZ3      TRP  72  -0.339  10.322  -6.198
  449    HH2  TRP  72           HH2      TRP  72  -0.114   9.014  -8.250
  450    H    GLY  73           H        GLY  73   3.416  13.639  -2.941
  451   1HA   GLY  73          1HA       GLY  73   5.827  14.645  -1.582
  452   2HA   GLY  73          2HA       GLY  73   4.425  15.617  -1.963
  453    H    GLU  74           H        GLU  74   2.599  13.409  -0.933
  454    HA   GLU  74           HA       GLU  74   2.305  14.544   1.637
  455   1HB   GLU  74          1HB       GLU  74   0.989  12.337   0.147
  456   2HB   GLU  74          2HB       GLU  74   0.793  12.357   1.895
  457   1HG   GLU  74          1HG       GLU  74   0.234  14.770   0.206
  458   2HG   GLU  74          2HG       GLU  74  -0.980  13.527   0.505
  459    H    ILE  75           H        ILE  75   2.273  13.278   3.729
  460    HA   ILE  75           HA       ILE  75   4.471  11.348   3.793
  461    HB   ILE  75           HB       ILE  75   4.498  13.711   5.666
  462   1HG1  ILE  75          1HG1      ILE  75   6.649  13.666   3.720
  463   2HG1  ILE  75          2HG1      ILE  75   5.084  13.801   2.928
  464   1HG2  ILE  75          1HG2      ILE  75   6.761  11.877   4.934
  465   2HG2  ILE  75          2HG2      ILE  75   6.617  12.948   6.328
  466   3HG2  ILE  75          3HG2      ILE  75   5.628  11.492   6.229
  467   1HD1  ILE  75          1HD1      ILE  75   5.351  15.574   5.212
  468   2HD1  ILE  75          2HD1      ILE  75   6.554  15.864   3.955
  469   3HD1  ILE  75          3HD1      ILE  75   4.836  15.914   3.560
  470    H    LYS  76           H        LYS  76   2.333  10.142   4.209
  471    HA   LYS  76           HA       LYS  76   1.968   9.993   7.123
  472   1HB   LYS  76          1HB       LYS  76  -0.067   9.921   5.685
  473   2HB   LYS  76          2HB       LYS  76   0.545   8.458   4.928
  474   1HG   LYS  76          1HG       LYS  76  -1.161   7.985   6.610
  475   2HG   LYS  76          2HG       LYS  76   0.393   7.269   7.034
  476   1HD   LYS  76          1HD       LYS  76   0.798   9.312   8.467
  477   2HD   LYS  76          2HD       LYS  76  -0.897   9.724   8.198
  478   1HE   LYS  76          1HE       LYS  76  -1.420   7.372   9.049
  479   2HE   LYS  76          2HE       LYS  76   0.246   7.339   9.622
  480   1HZ   LYS  76          1HZ       LYS  76  -1.540   9.572  10.342
  481   2HZ   LYS  76          2HZ       LYS  76  -0.156   9.005  11.149
  482   3HZ   LYS  76          3HZ       LYS  76  -1.597   8.114  11.205
  483    H    ARG  77           H        ARG  77   4.052   9.187   7.618
  484    HA   ARG  77           HA       ARG  77   4.928   6.805   6.144
  485   1HB   ARG  77          1HB       ARG  77   6.254   9.129   6.737
  486   2HB   ARG  77          2HB       ARG  77   6.840   8.044   7.990
  487   1HG   ARG  77          1HG       ARG  77   7.766   6.560   6.427
  488   2HG   ARG  77          2HG       ARG  77   6.858   7.269   5.092
  489   1HD   ARG  77          1HD       ARG  77   8.445   9.298   6.339
  490   2HD   ARG  77          2HD       ARG  77   9.466   7.909   5.967
  491    HE   ARG  77           HE       ARG  77   7.726   9.002   3.876
  492   1HH1  ARG  77          1HH1      ARG  77  10.955   8.432   5.120
  493   2HH1  ARG  77          2HH1      ARG  77  11.732   8.875   3.623
  494   1HH2  ARG  77          1HH2      ARG  77   8.777   9.574   1.903
  495   2HH2  ARG  77          2HH2      ARG  77  10.508   9.500   1.825
  496    H    ASN  78           H        ASN  78   4.985   4.875   7.031
  497    HA   ASN  78           HA       ASN  78   5.180   4.643   9.969
  498   1HB   ASN  78          1HB       ASN  78   3.088   3.723   8.552
  499   2HB   ASN  78          2HB       ASN  78   4.170   2.349   8.365
  500   1HD2  ASN  78          1HD2      ASN  78   1.767   2.124   9.658
  501   2HD2  ASN  78          2HD2      ASN  78   2.043   1.835  11.337
  502    H    ASP  79           H        ASP  79   6.196   2.417  10.552
  503    HA   ASP  79           HA       ASP  79   8.696   2.263   9.044
  504   1HB   ASP  79          1HB       ASP  79   8.122   0.763  11.589
  505   2HB   ASP  79          2HB       ASP  79   9.680   1.255  10.935
  506    H    ILE  80           H        ILE  80   9.602  -0.220   9.458
  507    HA   ILE  80           HA       ILE  80   8.006  -1.782   7.645
  508    HB   ILE  80           HB       ILE  80   9.991  -3.478   8.598
  509   1HG1  ILE  80          1HG1      ILE  80  11.507  -1.029   7.922
  510   2HG1  ILE  80          2HG1      ILE  80  10.800  -1.071   9.533
  511   1HG2  ILE  80          1HG2      ILE  80   9.084  -2.856   6.249
  512   2HG2  ILE  80          2HG2      ILE  80  10.435  -1.724   6.225
  513   3HG2  ILE  80          3HG2      ILE  80  10.734  -3.453   6.416
  514   1HD1  ILE  80          1HD1      ILE  80  11.924  -3.504   9.457
  515   2HD1  ILE  80          2HD1      ILE  80  13.020  -2.619   8.396
  516   3HD1  ILE  80          3HD1      ILE  80  12.745  -2.059  10.047
  517    H    ASP  81           H        ASP  81   7.274  -3.884   8.006
  518    HA   ASP  81           HA       ASP  81   5.853  -5.298   9.022
  519   1HB   ASP  81          1HB       ASP  81   8.280  -5.272  10.645
  520   2HB   ASP  81          2HB       ASP  81   6.856  -5.776  11.554
  521    H    LYS  82           H        LYS  82   4.916  -2.857   9.025
  522    HA   LYS  82           HA       LYS  82   3.532  -2.619  11.596
  523   1HB   LYS  82          1HB       LYS  82   5.487  -0.777  10.628
  524   2HB   LYS  82          2HB       LYS  82   3.915   0.010  10.557
  525   1HG   LYS  82          1HG       LYS  82   3.794   0.222  12.773
  526   2HG   LYS  82          2HG       LYS  82   4.371  -1.421  13.055
  527   1HD   LYS  82          1HD       LYS  82   6.665  -0.702  12.721
  528   2HD   LYS  82          2HD       LYS  82   6.120   0.932  12.341
  529   1HE   LYS  82          1HE       LYS  82   5.106   1.029  14.633
  530   2HE   LYS  82          2HE       LYS  82   5.897  -0.506  14.980
  531   1HZ   LYS  82          1HZ       LYS  82   7.014   1.789  15.560
  532   2HZ   LYS  82          2HZ       LYS  82   7.557   1.680  13.957
  533   3HZ   LYS  82          3HZ       LYS  82   7.938   0.454  15.074
  534    HA   PRO  83           HA       PRO  83   0.123  -2.245   8.832
  535   1HB   PRO  83          1HB       PRO  83  -1.820  -1.789  10.617
  536   2HB   PRO  83          2HB       PRO  83  -0.983  -3.343  10.529
  537   1HG   PRO  83          1HG       PRO  83  -0.638  -1.105  12.465
  538   2HG   PRO  83          2HG       PRO  83  -0.566  -2.852  12.747
  539   1HD   PRO  83          1HD       PRO  83   1.626  -1.166  12.442
  540   2HD   PRO  83          2HD       PRO  83   1.655  -2.931  12.267
  541    H    LEU  84           H        LEU  84  -0.024  -0.538   7.498
  542    HA   LEU  84           HA       LEU  84  -0.506   2.142   8.484
  543   1HB   LEU  84          1HB       LEU  84   0.538   1.185   6.157
  544   2HB   LEU  84          2HB       LEU  84  -1.115   1.478   5.662
  545    HG   LEU  84           HG       LEU  84   0.162   3.404   5.077
  546   1HD1  LEU  84          1HD1      LEU  84  -2.029   3.931   5.927
  547   2HD1  LEU  84          2HD1      LEU  84  -1.418   3.955   7.581
  548   3HD1  LEU  84          3HD1      LEU  84  -0.885   5.177   6.425
  549   1HD2  LEU  84          1HD2      LEU  84   1.682   4.508   6.425
  550   2HD2  LEU  84          2HD2      LEU  84   1.005   3.841   7.912
  551   3HD2  LEU  84          3HD2      LEU  84   1.954   2.816   6.837
  552    H    LYS  85           H        LYS  85  -2.434   2.447   9.438
  553    HA   LYS  85           HA       LYS  85  -4.741   0.906   8.654
  554   1HB   LYS  85          1HB       LYS  85  -4.212   2.969  10.778
  555   2HB   LYS  85          2HB       LYS  85  -5.847   2.420  10.433
  556   1HG   LYS  85          1HG       LYS  85  -5.354   0.208  11.084
  557   2HG   LYS  85          2HG       LYS  85  -3.617   0.519  11.090
  558   1HD   LYS  85          1HD       LYS  85  -3.727   1.761  13.066
  559   2HD   LYS  85          2HD       LYS  85  -5.462   2.028  12.910
  560   1HE   LYS  85          1HE       LYS  85  -5.555  -0.593  13.092
  561   2HE   LYS  85          2HE       LYS  85  -3.989  -0.376  13.873
  562   1HZ   LYS  85          1HZ       LYS  85  -5.158  -0.019  15.718
  563   2HZ   LYS  85          2HZ       LYS  85  -6.618   0.162  14.876
  564   3HZ   LYS  85          3HZ       LYS  85  -5.577   1.490  15.065
  565    H    TYR  86           H        TYR  86  -6.897   2.233   8.504
  566    HA   TYR  86           HA       TYR  86  -6.477   4.488   6.679
  567   1HB   TYR  86          1HB       TYR  86  -7.619   3.544   4.935
  568   2HB   TYR  86          2HB       TYR  86  -6.914   2.096   5.646
  569    HD1  TYR  86           HD1      TYR  86  -8.385   0.811   7.366
  570    HD2  TYR  86           HD2      TYR  86  -9.924   3.629   4.575
  571    HE1  TYR  86           HE1      TYR  86 -10.623  -0.182   7.604
  572    HE2  TYR  86           HE2      TYR  86 -12.165   2.647   4.812
  573    HH   TYR  86           HH       TYR  86 -13.292   1.128   7.008
  574    H    GLU  87           H        GLU  87  -8.586   5.628   6.177
  575    HA   GLU  87           HA       GLU  87 -10.105   5.873   8.686
  576   1HB   GLU  87          1HB       GLU  87  -8.964   7.906   8.166
  577   2HB   GLU  87          2HB       GLU  87  -9.496   7.854   6.493
  578   1HG   GLU  87          1HG       GLU  87 -11.497   8.760   6.960
  579   2HG   GLU  87          2HG       GLU  87 -11.638   7.921   8.503
  580    H    ASP  88           H        ASP  88 -10.693   6.527   5.229
  581    HA   ASP  88           HA       ASP  88 -13.266   5.139   5.447
  582   1HB   ASP  88          1HB       ASP  88 -13.285   7.807   5.616
  583   2HB   ASP  88          2HB       ASP  88 -13.197   7.670   3.864
  584    H    TYR  89           H        TYR  89 -14.258   5.290   3.022
  585    HA   TYR  89           HA       TYR  89 -12.197   3.913   1.449
  586   1HB   TYR  89          1HB       TYR  89 -15.161   3.740   1.663
  587   2HB   TYR  89          2HB       TYR  89 -14.425   3.321   0.120
  588    HD1  TYR  89           HD1      TYR  89 -11.910   2.049   1.052
  589    HD2  TYR  89           HD2      TYR  89 -15.898   1.687   2.488
  590    HE1  TYR  89           HE1      TYR  89 -11.395  -0.197   1.902
  591    HE2  TYR  89           HE2      TYR  89 -15.391  -0.560   3.349
  592    HH   TYR  89           HH       TYR  89 -12.572  -2.252   2.450
  593    H    TYR  90           H        TYR  90 -13.401   6.934   1.613
  594    HA   TYR  90           HA       TYR  90 -14.044   7.424  -1.123
  595   1HB   TYR  90          1HB       TYR  90 -13.734   9.097   1.323
  596   2HB   TYR  90          2HB       TYR  90 -13.667   9.898  -0.246
  597    HD1  TYR  90           HD1      TYR  90 -15.782   7.833   1.972
  598    HD2  TYR  90           HD2      TYR  90 -15.631  10.212  -1.551
  599    HE1  TYR  90           HE1      TYR  90 -18.234   7.799   1.850
  600    HE2  TYR  90           HE2      TYR  90 -18.086  10.186  -1.677
  601    HH   TYR  90           HH       TYR  90 -20.022   9.809   0.335
  602    H    THR  91           H        THR  91 -12.313   6.668  -2.293
  603    HA   THR  91           HA       THR  91  -9.707   7.911  -1.978
  604    HB   THR  91           HB       THR  91  -9.784   6.386  -4.351
  605    HG1  THR  91           HG1      THR  91 -11.092   5.050  -2.184
  606   1HG2  THR  91          1HG2      THR  91  -8.139   6.636  -2.245
  607   2HG2  THR  91          2HG2      THR  91  -8.043   5.294  -3.386
  608   3HG2  THR  91          3HG2      THR  91  -8.884   5.087  -1.850
  609    H    SER  92           H        SER  92 -12.584   8.287  -3.810
  610    HA   SER  92           HA       SER  92 -11.626   9.481  -6.144
  611   1HB   SER  92          1HB       SER  92 -14.138  10.618  -5.237
  612   2HB   SER  92          2HB       SER  92 -13.821   9.558  -6.612
  613    HG   SER  92           HG       SER  92 -14.449   7.895  -5.484
  614    H    GLY  93           H        GLY  93 -10.564  11.329  -6.434
  615   1HA   GLY  93          1HA       GLY  93 -11.142  13.833  -5.839
  616   2HA   GLY  93          2HA       GLY  93 -10.546  13.296  -4.277
  617    H    LEU  94           H        LEU  94  -8.554  11.489  -5.558
  618    HA   LEU  94           HA       LEU  94  -6.792  13.153  -7.076
  619   1HB   LEU  94          1HB       LEU  94  -6.745  13.694  -4.397
  620   2HB   LEU  94          2HB       LEU  94  -5.497  12.469  -4.520
  621    HG   LEU  94           HG       LEU  94  -4.120  13.807  -5.834
  622   1HD1  LEU  94          1HD1      LEU  94  -6.499  14.619  -7.052
  623   2HD1  LEU  94          2HD1      LEU  94  -5.762  16.092  -6.424
  624   3HD1  LEU  94          3HD1      LEU  94  -4.853  15.049  -7.518
  625   1HD2  LEU  94          1HD2      LEU  94  -4.426  14.660  -3.510
  626   2HD2  LEU  94          2HD2      LEU  94  -3.882  15.877  -4.665
  627   3HD2  LEU  94          3HD2      LEU  94  -5.569  15.839  -4.150
  628    H    SER  95           H        SER  95  -4.570  12.071  -7.247
  629    HA   SER  95           HA       SER  95  -4.918   9.202  -7.497
  630   1HB   SER  95          1HB       SER  95  -2.395  10.729  -8.124
  631   2HB   SER  95          2HB       SER  95  -2.978   9.225  -8.840
  632    HG   SER  95           HG       SER  95  -4.848  10.722  -9.490
  633    H    TRP  96           H        TRP  96  -4.103   7.730  -6.125
  634    HA   TRP  96           HA       TRP  96  -2.672   8.786  -3.780
  635   1HB   TRP  96          1HB       TRP  96  -4.440   6.363  -4.079
  636   2HB   TRP  96          2HB       TRP  96  -3.600   6.819  -2.602
  637    HD1  TRP  96           HD1      TRP  96  -6.531   7.858  -4.821
  638    HE1  TRP  96           HE1      TRP  96  -8.078   9.395  -3.465
  639    HE3  TRP  96           HE3      TRP  96  -3.602   8.467  -0.658
  640    HZ2  TRP  96           HZ2      TRP  96  -8.064  10.689  -0.966
  641    HZ3  TRP  96           HZ3      TRP  96  -4.461   9.880   1.155
  642    HH2  TRP  96           HH2      TRP  96  -6.641  10.945   1.007
  643    H    ILE  97           H        ILE  97  -1.060   7.458  -2.778
  644    HA   ILE  97           HA       ILE  97  -0.115   5.163  -4.258
  645    HB   ILE  97           HB       ILE  97   0.869   7.490  -5.099
  646   1HG1  ILE  97          1HG1      ILE  97   3.035   6.147  -5.629
  647   2HG1  ILE  97          2HG1      ILE  97   2.169   4.810  -4.879
  648   1HG2  ILE  97          1HG2      ILE  97   1.811   8.251  -3.058
  649   2HG2  ILE  97          2HG2      ILE  97   2.693   6.737  -2.838
  650   3HG2  ILE  97          3HG2      ILE  97   3.132   7.830  -4.152
  651   1HD1  ILE  97          1HD1      ILE  97   1.074   4.443  -6.759
  652   2HD1  ILE  97          2HD1      ILE  97   0.445   6.091  -6.744
  653   3HD1  ILE  97          3HD1      ILE  97   1.987   5.743  -7.525
  654    H    TRP  98           H        TRP  98   0.558   3.611  -2.811
  655    HA   TRP  98           HA       TRP  98   1.706   4.317  -0.241
  656   1HB   TRP  98          1HB       TRP  98   2.032   1.740  -1.822
  657   2HB   TRP  98          2HB       TRP  98   2.652   2.004  -0.212
  658    HD1  TRP  98           HD1      TRP  98   0.516  -0.224  -1.470
  659    HE1  TRP  98           HE1      TRP  98  -1.596  -0.691  -0.099
  660    HE3  TRP  98           HE3      TRP  98   0.450   4.002   1.429
  661    HZ2  TRP  98           HZ2      TRP  98  -3.095   0.533   1.916
  662    HZ3  TRP  98           HZ3      TRP  98  -1.377   4.245   3.056
  663    HH2  TRP  98           HH2      TRP  98  -3.101   2.545   3.295
  664    H    LYS  99           H        LYS  99   4.020   4.268   0.133
  665    HA   LYS  99           HA       LYS  99   5.639   3.854  -2.255
  666   1HB   LYS  99          1HB       LYS  99   5.401   6.370  -0.759
  667   2HB   LYS  99          2HB       LYS  99   7.064   5.828  -0.936
  668   1HG   LYS  99          1HG       LYS  99   6.946   5.901  -3.287
  669   2HG   LYS  99          2HG       LYS  99   5.187   6.036  -3.272
  670   1HD   LYS  99          1HD       LYS  99   5.354   8.253  -3.257
  671   2HD   LYS  99          2HD       LYS  99   6.250   8.177  -1.741
  672   1HE   LYS  99          1HE       LYS  99   8.167   7.485  -3.545
  673   2HE   LYS  99          2HE       LYS  99   7.199   8.627  -4.479
  674   1HZ   LYS  99          1HZ       LYS  99   7.402  10.008  -2.271
  675   2HZ   LYS  99          2HZ       LYS  99   8.627  10.047  -3.437
  676   3HZ   LYS  99          3HZ       LYS  99   8.798   9.072  -2.062
  677    H    ILE 100           H        ILE 100   6.460   1.946  -1.606
  678    HA   ILE 100           HA       ILE 100   7.467   1.571   1.029
  679    HB   ILE 100           HB       ILE 100   7.611  -0.084  -1.462
  680   1HG1  ILE 100          1HG1      ILE 100   6.644  -1.020   1.197
  681   2HG1  ILE 100          2HG1      ILE 100   5.662   0.161   0.334
  682   1HG2  ILE 100          1HG2      ILE 100   9.305  -0.297   0.959
  683   2HG2  ILE 100          2HG2      ILE 100   8.623  -1.793   0.323
  684   3HG2  ILE 100          3HG2      ILE 100   9.644  -0.780  -0.703
  685   1HD1  ILE 100          1HD1      ILE 100   5.013  -1.322  -1.219
  686   2HD1  ILE 100          2HD1      ILE 100   6.567  -2.158  -1.229
  687   3HD1  ILE 100          3HD1      ILE 100   5.402  -2.480   0.054
  688    H    LYS 101           H        LYS 101   9.012   2.947   1.615
  689    HA   LYS 101           HA       LYS 101  11.257   3.456  -0.176
  690   1HB   LYS 101          1HB       LYS 101  10.136   5.322   1.068
  691   2HB   LYS 101          2HB       LYS 101  10.714   4.610   2.569
  692   1HG   LYS 101          1HG       LYS 101  12.976   4.838   0.945
  693   2HG   LYS 101          2HG       LYS 101  12.074   6.337   0.713
  694   1HD   LYS 101          1HD       LYS 101  13.021   7.041   2.608
  695   2HD   LYS 101          2HD       LYS 101  11.944   5.917   3.440
  696   1HE   LYS 101          1HE       LYS 101  13.823   5.005   4.249
  697   2HE   LYS 101          2HE       LYS 101  13.980   4.273   2.651
  698   1HZ   LYS 101          1HZ       LYS 101  15.653   5.660   2.082
  699   2HZ   LYS 101          2HZ       LYS 101  15.886   5.735   3.758
  700   3HZ   LYS 101          3HZ       LYS 101  15.044   6.970   2.964
  701    H    ASN 102           H        ASN 102  12.515   1.651  -0.152
  702    HA   ASN 102           HA       ASN 102  13.207   0.382   2.364
  703   1HB   ASN 102          1HB       ASN 102  14.378  -1.262   1.027
  704   2HB   ASN 102          2HB       ASN 102  12.791  -0.978   0.325
  705   1HD2  ASN 102          1HD2      ASN 102  15.159  -2.076  -0.918
  706   2HD2  ASN 102          2HD2      ASN 102  15.511  -1.043  -2.260
  707    H    ASN 103           H        ASN 103  15.421   0.046   3.015
  708    HA   ASN 103           HA       ASN 103  17.119   2.338   2.287
  709   1HB   ASN 103          1HB       ASN 103  16.630   0.883   4.814
  710   2HB   ASN 103          2HB       ASN 103  18.298   1.363   4.514
  711   1HD2  ASN 103          1HD2      ASN 103  16.452   2.297   6.528
  712   2HD2  ASN 103          2HD2      ASN 103  16.293   4.009   6.292
  713    H    SER 104           H        SER 104  16.766  -0.959   1.885
  714    HA   SER 104           HA       SER 104  19.533  -1.652   1.728
  715   1HB   SER 104          1HB       SER 104  17.775  -3.386   0.211
  716   2HB   SER 104          2HB       SER 104  18.701  -3.735   1.674
  717    HG   SER 104           HG       SER 104  17.010  -3.222   2.904
  718    H    SER 105           H        SER 105  20.862  -1.594  -0.018
  719    HA   SER 105           HA       SER 105  19.951   0.005  -2.263
  720   1HB   SER 105          1HB       SER 105  22.722  -1.101  -2.105
  721   2HB   SER 105          2HB       SER 105  22.175   0.491  -2.637
  722    HG   SER 105           HG       SER 105  22.476  -0.495  -0.002
  723    H    GLU 106           H        GLU 106  20.307  -3.277  -1.543
  724    HA   GLU 106           HA       GLU 106  20.621  -4.109  -4.312
  725   1HB   GLU 106          1HB       GLU 106  20.540  -5.503  -1.666
  726   2HB   GLU 106          2HB       GLU 106  20.156  -6.421  -3.116
  727   1HG   GLU 106          1HG       GLU 106  22.689  -4.840  -2.775
  728   2HG   GLU 106          2HG       GLU 106  22.535  -6.544  -2.350
  729    H    THR 107           H        THR 107  19.012  -5.663  -5.229
  730    HA   THR 107           HA       THR 107  16.390  -4.658  -5.157
  731    HB   THR 107           HB       THR 107  16.465  -7.439  -5.971
  732    HG1  THR 107           HG1      THR 107  18.424  -7.472  -6.764
  733   1HG2  THR 107          1HG2      THR 107  15.057  -5.313  -6.696
  734   2HG2  THR 107          2HG2      THR 107  15.361  -6.641  -7.816
  735   3HG2  THR 107          3HG2      THR 107  16.336  -5.173  -7.900
  736    H    SER 108           H        SER 108  15.129  -4.721  -3.413
  737    HA   SER 108           HA       SER 108  15.411  -6.984  -1.565
  738   1HB   SER 108          1HB       SER 108  13.841  -4.756  -0.567
  739   2HB   SER 108          2HB       SER 108  15.304  -5.481   0.099
  740    HG   SER 108           HG       SER 108  16.315  -4.229  -1.793
  741    H    ASN 109           H        ASN 109  13.372  -7.548  -0.363
  742    HA   ASN 109           HA       ASN 109  11.086  -7.531  -2.210
  743   1HB   ASN 109          1HB       ASN 109  11.244  -9.769  -2.217
  744   2HB   ASN 109          2HB       ASN 109  12.498  -9.734  -0.984
  745   1HD2  ASN 109          1HD2      ASN 109   9.166 -10.240  -1.659
  746   2HD2  ASN 109          2HD2      ASN 109   8.699 -10.750  -0.072
  747    H    TYR 110           H        TYR 110   9.085  -7.073  -1.404
  748    HA   TYR 110           HA       TYR 110   8.922  -6.548   1.493
  749   1HB   TYR 110          1HB       TYR 110   7.366  -4.720   1.050
  750   2HB   TYR 110          2HB       TYR 110   8.898  -4.430   0.237
  751    HD1  TYR 110           HD1      TYR 110   8.933  -3.949  -2.069
  752    HD2  TYR 110           HD2      TYR 110   5.429  -5.649  -0.355
  753    HE1  TYR 110           HE1      TYR 110   7.728  -3.572  -4.171
  754    HE2  TYR 110           HE2      TYR 110   4.216  -5.276  -2.455
  755    HH   TYR 110           HH       TYR 110   4.549  -3.517  -4.483
  756    H    SER 111           H        SER 111   6.772  -6.798   2.413
  757    HA   SER 111           HA       SER 111   4.999  -8.534   0.831
  758   1HB   SER 111          1HB       SER 111   4.870  -9.180   3.643
  759   2HB   SER 111          2HB       SER 111   5.226 -10.238   2.278
  760    HG   SER 111           HG       SER 111   7.323  -8.629   2.792
  761    H    LEU 112           H        LEU 112   3.471  -6.989   0.426
  762    HA   LEU 112           HA       LEU 112   2.643  -5.189   2.561
  763   1HB   LEU 112          1HB       LEU 112   2.629  -5.170  -0.313
  764   2HB   LEU 112          2HB       LEU 112   1.018  -4.822   0.284
  765    HG   LEU 112           HG       LEU 112   3.552  -3.287   0.825
  766   1HD1  LEU 112          1HD1      LEU 112   2.740  -1.711  -0.565
  767   2HD1  LEU 112          2HD1      LEU 112   1.860  -3.079  -1.249
  768   3HD1  LEU 112          3HD1      LEU 112   1.065  -2.004  -0.099
  769   1HD2  LEU 112          1HD2      LEU 112   2.060  -3.602   2.866
  770   2HD2  LEU 112          2HD2      LEU 112   2.430  -1.944   2.394
  771   3HD2  LEU 112          3HD2      LEU 112   0.860  -2.644   1.998
  772    H    ASP 113           H        ASP 113   1.327  -6.124   4.019
  773    HA   ASP 113           HA       ASP 113  -0.675  -8.052   3.211
  774   1HB   ASP 113          1HB       ASP 113   0.516  -7.154   5.732
  775   2HB   ASP 113          2HB       ASP 113  -1.222  -7.403   5.841
  776    H    ALA 114           H        ALA 114  -2.023  -6.816   1.875
  777    HA   ALA 114           HA       ALA 114  -3.531  -4.696   3.231
  778   1HB   ALA 114          1HB       ALA 114  -4.398  -4.989   0.541
  779   2HB   ALA 114          2HB       ALA 114  -3.499  -3.652   1.261
  780   3HB   ALA 114          3HB       ALA 114  -2.634  -5.011   0.539
  781    H    THR 115           H        THR 115  -5.273  -5.392   4.270
  782    HA   THR 115           HA       THR 115  -6.405  -7.967   3.547
  783    HB   THR 115           HB       THR 115  -7.433  -6.340   5.825
  784    HG1  THR 115           HG1      THR 115  -4.835  -7.258   5.508
  785   1HG2  THR 115          1HG2      THR 115  -6.869  -9.006   6.520
  786   2HG2  THR 115          2HG2      THR 115  -7.584  -9.049   4.910
  787   3HG2  THR 115          3HG2      THR 115  -8.452  -8.278   6.238
  788    H    VAL 116           H        VAL 116  -7.613  -7.672   1.767
  789    HA   VAL 116           HA       VAL 116  -9.276  -5.444   1.278
  790    HB   VAL 116           HB       VAL 116 -10.363  -7.215  -0.379
  791   1HG1  VAL 116          1HG1      VAL 116  -7.931  -5.564  -0.471
  792   2HG1  VAL 116          2HG1      VAL 116  -8.078  -6.775  -1.746
  793   3HG1  VAL 116          3HG1      VAL 116  -9.344  -5.570  -1.526
  794   1HG2  VAL 116          1HG2      VAL 116  -9.454  -9.242  -0.314
  795   2HG2  VAL 116          2HG2      VAL 116  -7.913  -8.535  -0.801
  796   3HG2  VAL 116          3HG2      VAL 116  -8.295  -8.723   0.911
  797    H    HIS 117           H        HIS 117 -11.551  -5.340   1.181
  798    HA   HIS 117           HA       HIS 117 -12.738  -6.616   3.500
  799   1HB   HIS 117          1HB       HIS 117 -12.947  -4.156   2.985
  800   2HB   HIS 117          2HB       HIS 117 -13.980  -4.592   1.632
  801    HD1  HIS 117           HD1      HIS 117 -15.393  -6.920   3.528
  802    HD2  HIS 117           HD2      HIS 117 -15.123  -2.819   4.153
  803    HE1  HIS 117           HE1      HIS 117 -17.307  -6.334   5.049
  804    HE2  HIS 117           HE2      HIS 117 -17.187  -3.830   5.330
  805    H    ASP 118           H        ASP 118 -13.355  -6.418   0.000
  806    HA   ASP 118           HA       ASP 118 -14.597  -8.939  -0.169
  807   1HB   ASP 118          1HB       ASP 118 -16.284  -7.313   1.122
  808   2HB   ASP 118          2HB       ASP 118 -16.696  -6.857  -0.527
  809    H    ASP 119           H        ASP 119 -14.228  -5.699  -1.454
  810    HA   ASP 119           HA       ASP 119 -15.420  -6.155  -3.962
  811   1HB   ASP 119          1HB       ASP 119 -14.401  -3.954  -2.647
  812   2HB   ASP 119          2HB       ASP 119 -13.305  -4.151  -4.015
  813    H    LYS 120           H        LYS 120 -14.526  -6.380  -6.003
  814    HA   LYS 120           HA       LYS 120 -11.832  -7.557  -6.066
  815   1HB   LYS 120          1HB       LYS 120 -12.803  -8.976  -7.986
  816   2HB   LYS 120          2HB       LYS 120 -13.196  -9.432  -6.335
  817   1HG   LYS 120          1HG       LYS 120 -15.301  -9.519  -7.100
  818   2HG   LYS 120          2HG       LYS 120 -15.258  -7.765  -6.923
  819   1HD   LYS 120          1HD       LYS 120 -14.418  -7.663  -9.301
  820   2HD   LYS 120          2HD       LYS 120 -14.796  -9.383  -9.423
  821   1HE   LYS 120          1HE       LYS 120 -17.051  -9.033  -9.376
  822   2HE   LYS 120          2HE       LYS 120 -16.913  -7.573  -8.396
  823   1HZ   LYS 120          1HZ       LYS 120 -15.742  -6.785 -10.671
  824   2HZ   LYS 120          2HZ       LYS 120 -17.390  -6.571 -10.329
  825   3HZ   LYS 120          3HZ       LYS 120 -16.886  -7.884 -11.278
  826    H    GLU 121           H        GLU 121 -13.719  -5.059  -7.063
  827    HA   GLU 121           HA       GLU 121 -12.719  -4.918  -9.792
  828   1HB   GLU 121          1HB       GLU 121 -15.081  -4.143  -8.709
  829   2HB   GLU 121          2HB       GLU 121 -14.197  -2.624  -8.664
  830   1HG   GLU 121          1HG       GLU 121 -15.227  -2.511 -10.705
  831   2HG   GLU 121          2HG       GLU 121 -13.647  -3.164 -11.138
  832    H    ASP 122           H        ASP 122 -10.760  -4.167 -10.102
  833    HA   ASP 122           HA       ASP 122  -9.619  -2.301  -8.155
  834   1HB   ASP 122          1HB       ASP 122  -7.842  -3.651  -8.352
  835   2HB   ASP 122          2HB       ASP 122  -8.585  -4.510  -9.695
  836    H    SER 123           H        SER 123  -8.950  -0.292  -8.658
  837    HA   SER 123           HA       SER 123  -8.785   0.513 -11.463
  838   1HB   SER 123          1HB       SER 123 -10.335   2.077  -9.378
  839   2HB   SER 123          2HB       SER 123 -10.059   2.567 -11.050
  840    HG   SER 123           HG       SER 123 -11.106   0.073 -10.929
  841    H    ASP 124           H        ASP 124  -6.776  -0.124  -9.591
  842    HA   ASP 124           HA       ASP 124  -5.219   2.289  -9.573
  843   1HB   ASP 124          1HB       ASP 124  -6.010   2.994  -7.556
  844   2HB   ASP 124          2HB       ASP 124  -6.606   1.398  -7.116
  845    H    VAL 125           H        VAL 125  -5.622  -0.989  -8.344
  846    HA   VAL 125           HA       VAL 125  -2.780  -1.490  -8.217
  847    HB   VAL 125           HB       VAL 125  -4.380  -3.895  -8.136
  848   1HG1  VAL 125          1HG1      VAL 125  -2.251  -3.913  -7.150
  849   2HG1  VAL 125          2HG1      VAL 125  -2.572  -2.444  -6.229
  850   3HG1  VAL 125          3HG1      VAL 125  -3.384  -3.951  -5.800
  851   1HG2  VAL 125          1HG2      VAL 125  -6.114  -2.175  -7.448
  852   2HG2  VAL 125          2HG2      VAL 125  -5.818  -3.490  -6.310
  853   3HG2  VAL 125          3HG2      VAL 125  -5.123  -1.895  -6.017
  854    H    LEU 126           H        LEU 126  -4.323  -0.890 -10.780
  855    HA   LEU 126           HA       LEU 126  -4.374  -3.173 -12.408
  856   1HB   LEU 126          1HB       LEU 126  -3.685  -0.645 -13.745
  857   2HB   LEU 126          2HB       LEU 126  -4.983  -1.774 -14.076
  858    HG   LEU 126           HG       LEU 126  -5.605  -0.502 -11.620
  859   1HD1  LEU 126          1HD1      LEU 126  -5.115   1.670 -11.806
  860   2HD1  LEU 126          2HD1      LEU 126  -3.915   1.165 -12.997
  861   3HD1  LEU 126          3HD1      LEU 126  -5.509   1.703 -13.524
  862   1HD2  LEU 126          1HD2      LEU 126  -6.762  -1.074 -14.170
  863   2HD2  LEU 126          2HD2      LEU 126  -7.563  -0.743 -12.633
  864   3HD2  LEU 126          3HD2      LEU 126  -7.142   0.588 -13.714
  865    H    THR 127           H        THR 127  -1.786  -1.020 -11.507
  866    HA   THR 127           HA       THR 127   0.016  -2.393 -13.380
  867    HB   THR 127           HB       THR 127   1.416  -0.238 -12.365
  868    HG1  THR 127           HG1      THR 127  -0.049   1.111 -11.638
  869   1HG2  THR 127          1HG2      THR 127   0.009   0.577 -14.716
  870   2HG2  THR 127          2HG2      THR 127   0.394  -1.139 -14.844
  871   3HG2  THR 127          3HG2      THR 127   1.681   0.032 -14.559
  872    H    LYS 128           H        LYS 128  -0.841  -2.420 -10.171
  873    HA   LYS 128           HA       LYS 128   0.082  -3.145  -8.236
  874   1HB   LYS 128          1HB       LYS 128   1.504  -4.573 -10.209
  875   2HB   LYS 128          2HB       LYS 128   2.712  -3.982  -9.077
  876   1HG   LYS 128          1HG       LYS 128   0.609  -4.984  -7.514
  877   2HG   LYS 128          2HG       LYS 128   0.870  -6.159  -8.804
  878   1HD   LYS 128          1HD       LYS 128   3.136  -5.031  -7.180
  879   2HD   LYS 128          2HD       LYS 128   2.230  -6.459  -6.668
  880   1HE   LYS 128          1HE       LYS 128   3.146  -6.507  -9.456
  881   2HE   LYS 128          2HE       LYS 128   4.439  -6.501  -8.258
  882   1HZ   LYS 128          1HZ       LYS 128   2.764  -8.340  -7.252
  883   2HZ   LYS 128          2HZ       LYS 128   4.090  -8.698  -8.243
  884   3HZ   LYS 128          3HZ       LYS 128   2.535  -8.577  -8.918
  885    H    CYS 129           H        CYS 129   3.334  -2.929  -8.267
  886    HA   CYS 129           HA       CYS 129   3.205  -0.081  -7.503
  887   1HB   CYS 129          1HB       CYS 129   4.988  -2.224  -6.310
  888   2HB   CYS 129          2HB       CYS 129   4.906  -0.543  -5.796
  889    HA   PRO 130           HA       PRO 130   6.759   0.202 -10.318
  890   1HB   PRO 130          1HB       PRO 130   5.765   0.288 -12.774
  891   2HB   PRO 130          2HB       PRO 130   5.874  -1.260 -11.923
  892   1HG   PRO 130          1HG       PRO 130   3.491   0.347 -12.581
  893   2HG   PRO 130          2HG       PRO 130   3.605  -1.376 -12.188
  894   1HD   PRO 130          1HD       PRO 130   2.992   0.887 -10.419
  895   2HD   PRO 130          2HD       PRO 130   2.808  -0.856 -10.113
  896    H    VAL 131           H        VAL 131   6.310   2.397  -9.026
  897    HA   VAL 131           HA       VAL 131   4.971   4.470 -10.466
  898    HB   VAL 131           HB       VAL 131   6.955   4.622  -8.182
  899   1HG1  VAL 131          1HG1      VAL 131   7.251   6.771  -8.698
  900   2HG1  VAL 131          2HG1      VAL 131   6.008   6.717  -9.947
  901   3HG1  VAL 131          3HG1      VAL 131   5.559   7.026  -8.268
  902   1HG2  VAL 131          1HG2      VAL 131   5.129   4.003  -7.035
  903   2HG2  VAL 131          2HG2      VAL 131   4.577   5.658  -7.310
  904   3HG2  VAL 131          3HG2      VAL 131   4.046   4.359  -8.380
  Start of MODEL   12
    1   1H    ARG  14          1H        ARG  14  -9.813 -15.988  10.513
    2    HA   ARG  14           HA       ARG  14  -7.732 -14.212   9.544
    3   1HB   ARG  14          1HB       ARG  14  -6.874 -16.020   8.412
    4   2HB   ARG  14          2HB       ARG  14  -7.727 -16.852   9.705
    5   1HG   ARG  14          1HG       ARG  14  -9.667 -16.693   7.820
    6   2HG   ARG  14          2HG       ARG  14  -8.221 -16.829   6.817
    7   1HD   ARG  14          1HD       ARG  14  -7.716 -18.926   7.591
    8   2HD   ARG  14          2HD       ARG  14  -8.511 -18.660   9.142
    9    HE   ARG  14           HE       ARG  14 -10.599 -19.126   8.127
   10   1HH1  ARG  14          1HH1      ARG  14  -7.861 -19.623   5.988
   11   2HH1  ARG  14          2HH1      ARG  14  -8.770 -20.562   4.841
   12   1HH2  ARG  14          1HH2      ARG  14 -11.782 -20.375   6.636
   13   2HH2  ARG  14          2HH2      ARG  14 -11.003 -20.980   5.203
   14    H    ILE  15           H        ILE  15  -7.616 -13.784   7.148
   15    HA   ILE  15           HA       ILE  15 -10.299 -12.964   6.250
   16    HB   ILE  15           HB       ILE  15  -7.743 -11.790   5.190
   17   1HG1  ILE  15          1HG1      ILE  15  -8.923 -10.043   7.117
   18   2HG1  ILE  15          2HG1      ILE  15  -8.661 -11.603   7.890
   19   1HG2  ILE  15          1HG2      ILE  15 -10.156 -11.497   4.229
   20   2HG2  ILE  15          2HG2      ILE  15 -10.328 -10.347   5.555
   21   3HG2  ILE  15          3HG2      ILE  15  -9.070 -10.113   4.341
   22   1HD1  ILE  15          1HD1      ILE  15  -6.693 -10.487   8.314
   23   2HD1  ILE  15          2HD1      ILE  15  -6.288 -11.426   6.877
   24   3HD1  ILE  15          3HD1      ILE  15  -6.669  -9.710   6.729
   25    HA   PRO  16           HA       PRO  16  -9.971 -16.082   3.082
   26   1HB   PRO  16          1HB       PRO  16 -11.914 -14.910   1.461
   27   2HB   PRO  16          2HB       PRO  16 -12.214 -16.088   2.742
   28   1HG   PRO  16          1HG       PRO  16 -12.483 -13.122   2.792
   29   2HG   PRO  16          2HG       PRO  16 -13.468 -14.359   3.595
   30   1HD   PRO  16          1HD       PRO  16 -11.663 -12.895   4.943
   31   2HD   PRO  16          2HD       PRO  16 -11.974 -14.596   5.346
   32    H    ASN  17           H        ASN  17 -10.620 -12.818   1.805
   33    HA   ASN  17           HA       ASN  17  -8.559 -13.258  -0.223
   34   1HB   ASN  17          1HB       ASN  17 -10.625 -12.503  -1.166
   35   2HB   ASN  17          2HB       ASN  17 -10.775 -11.215   0.024
   36   1HD2  ASN  17          1HD2      ASN  17 -10.817  -9.478  -1.274
   37   2HD2  ASN  17          2HD2      ASN  17  -9.528  -9.018  -2.348
   38    H    ILE  18           H        ILE  18  -6.674 -12.919   0.859
   39    HA   ILE  18           HA       ILE  18  -6.349 -10.370   2.277
   40    HB   ILE  18           HB       ILE  18  -3.945 -11.843   2.422
   41   1HG1  ILE  18          1HG1      ILE  18  -5.837 -13.674   3.685
   42   2HG1  ILE  18          2HG1      ILE  18  -5.977 -13.666   1.929
   43   1HG2  ILE  18          1HG2      ILE  18  -4.706 -12.056   4.862
   44   2HG2  ILE  18          2HG2      ILE  18  -4.525 -10.438   4.179
   45   3HG2  ILE  18          3HG2      ILE  18  -6.129 -11.147   4.346
   46   1HD1  ILE  18          1HD1      ILE  18  -3.294 -13.914   3.207
   47   2HD1  ILE  18          2HD1      ILE  18  -4.357 -15.317   3.087
   48   3HD1  ILE  18          3HD1      ILE  18  -3.842 -14.473   1.627
   49    H    ALA  19           H        ALA  19  -5.852  -8.813   0.870
   50    HA   ALA  19           HA       ALA  19  -4.274  -9.327  -1.480
   51   1HB   ALA  19          1HB       ALA  19  -4.415  -6.608  -1.301
   52   2HB   ALA  19          2HB       ALA  19  -5.624  -7.632  -2.077
   53   3HB   ALA  19          3HB       ALA  19  -5.858  -7.102  -0.413
   54    H    THR  20           H        THR  20  -2.374 -10.139  -0.451
   55    HA   THR  20           HA       THR  20  -0.783  -8.092   0.905
   56    HB   THR  20           HB       THR  20  -1.029 -10.160   2.172
   57    HG1  THR  20           HG1      THR  20   0.875  -9.542   2.808
   58   1HG2  THR  20          1HG2      THR  20   0.551 -12.069   1.060
   59   2HG2  THR  20          2HG2      THR  20  -0.251 -11.411  -0.366
   60   3HG2  THR  20          3HG2      THR  20  -1.209 -12.048   0.971
   61    H    TYR  21           H        TYR  21   0.415  -6.956  -0.404
   62    HA   TYR  21           HA       TYR  21   1.138  -7.915  -3.018
   63   1HB   TYR  21          1HB       TYR  21   1.916  -5.345  -1.621
   64   2HB   TYR  21          2HB       TYR  21   2.125  -5.695  -3.335
   65    HD1  TYR  21           HD1      TYR  21  -0.178  -6.526  -4.485
   66    HD2  TYR  21           HD2      TYR  21   0.122  -4.014  -1.070
   67    HE1  TYR  21           HE1      TYR  21  -2.419  -5.633  -4.955
   68    HE2  TYR  21           HE2      TYR  21  -2.124  -3.119  -1.525
   69    HH   TYR  21           HH       TYR  21  -3.991  -3.348  -2.761
   70    H    THR  22           H        THR  22   2.615  -9.513  -2.934
   71    HA   THR  22           HA       THR  22   5.090  -9.061  -1.440
   72    HB   THR  22           HB       THR  22   4.674 -11.604  -2.901
   73    HG1  THR  22           HG1      THR  22   2.919 -10.614  -0.951
   74   1HG2  THR  22          1HG2      THR  22   6.517 -10.835  -1.160
   75   2HG2  THR  22          2HG2      THR  22   5.940 -12.501  -1.213
   76   3HG2  THR  22          3HG2      THR  22   5.308 -11.386   0.000
   77    H    GLY  23           H        GLY  23   6.892  -8.472  -2.455
   78   1HA   GLY  23          1HA       GLY  23   7.566  -9.296  -5.097
   79   2HA   GLY  23          2HA       GLY  23   6.996  -7.631  -5.089
   80    H    THR  24           H        THR  24   9.362  -7.548  -5.934
   81    HA   THR  24           HA       THR  24  11.110  -7.108  -3.601
   82    HB   THR  24           HB       THR  24  12.559  -7.531  -6.088
   83    HG1  THR  24           HG1      THR  24  10.643  -9.416  -5.254
   84   1HG2  THR  24          1HG2      THR  24  12.585  -8.657  -3.301
   85   2HG2  THR  24          2HG2      THR  24  13.777  -7.621  -4.087
   86   3HG2  THR  24          3HG2      THR  24  13.623  -9.310  -4.569
   87    H    ILE  25           H        ILE  25  11.534  -5.023  -3.317
   88    HA   ILE  25           HA       ILE  25  11.187  -3.151  -5.512
   89    HB   ILE  25           HB       ILE  25  10.240  -2.350  -3.507
   90   1HG1  ILE  25          1HG1      ILE  25  11.895  -0.455  -2.798
   91   2HG1  ILE  25          2HG1      ILE  25  12.880  -1.070  -4.122
   92   1HG2  ILE  25          1HG2      ILE  25  11.122  -2.468  -1.372
   93   2HG2  ILE  25          2HG2      ILE  25  11.655  -3.982  -2.106
   94   3HG2  ILE  25          3HG2      ILE  25  12.778  -2.631  -1.956
   95   1HD1  ILE  25          1HD1      ILE  25  10.757  -0.805  -5.539
   96   2HD1  ILE  25          2HD1      ILE  25  10.191   0.223  -4.221
   97   3HD1  ILE  25          3HD1      ILE  25  11.667   0.639  -5.092
   98    H    GLN  26           H        GLN  26  12.779  -2.006  -6.480
   99    HA   GLN  26           HA       GLN  26  15.409  -3.050  -6.490
  100   1HB   GLN  26          1HB       GLN  26  14.277  -0.490  -7.635
  101   2HB   GLN  26          2HB       GLN  26  15.908  -1.069  -7.945
  102   1HG   GLN  26          1HG       GLN  26  14.957  -1.961  -9.767
  103   2HG   GLN  26          2HG       GLN  26  14.501  -3.247  -8.652
  104   1HE2  GLN  26          1HE2      GLN  26  12.446  -3.795  -8.651
  105   2HE2  GLN  26          2HE2      GLN  26  11.130  -2.806  -9.175
  106    H    GLY  27           H        GLY  27  17.276  -2.302  -5.574
  107   1HA   GLY  27          1HA       GLY  27  17.067  -0.944  -3.111
  108   2HA   GLY  27          2HA       GLY  27  18.564  -1.327  -3.947
  109    H    LYS  28           H        LYS  28  17.357   1.108  -2.499
  110    HA   LYS  28           HA       LYS  28  17.447   3.362  -2.607
  111   1HB   LYS  28          1HB       LYS  28  19.819   2.734  -3.368
  112   2HB   LYS  28          2HB       LYS  28  19.272   3.119  -4.993
  113   1HG   LYS  28          1HG       LYS  28  20.420   5.010  -4.057
  114   2HG   LYS  28          2HG       LYS  28  18.709   5.397  -4.240
  115   1HD   LYS  28          1HD       LYS  28  19.147   4.248  -1.655
  116   2HD   LYS  28          2HD       LYS  28  20.294   5.565  -1.906
  117   1HE   LYS  28          1HE       LYS  28  18.332   6.972  -2.638
  118   2HE   LYS  28          2HE       LYS  28  17.288   5.671  -2.067
  119   1HZ   LYS  28          1HZ       LYS  28  18.458   7.740  -0.581
  120   2HZ   LYS  28          2HZ       LYS  28  19.120   6.278  -0.036
  121   3HZ   LYS  28          3HZ       LYS  28  17.438   6.501  -0.034
  122    H    GLY  29           H        GLY  29  15.196   2.574  -3.566
  123   1HA   GLY  29          1HA       GLY  29  14.578   4.593  -5.522
  124   2HA   GLY  29          2HA       GLY  29  14.351   2.949  -6.114
  125    H    GLU  30           H        GLU  30  12.120   3.928  -6.287
  126    HA   GLU  30           HA       GLU  30  10.593   3.097  -3.953
  127   1HB   GLU  30          1HB       GLU  30   9.140   5.270  -4.594
  128   2HB   GLU  30          2HB       GLU  30  10.376   5.276  -3.343
  129   1HG   GLU  30          1HG       GLU  30  11.787   5.822  -5.646
  130   2HG   GLU  30          2HG       GLU  30  10.271   6.695  -5.868
  131    H    VAL  31           H        VAL  31   8.271   2.861  -4.491
  132    HA   VAL  31           HA       VAL  31   7.714   2.752  -7.374
  133    HB   VAL  31           HB       VAL  31   6.399   0.578  -6.895
  134   1HG1  VAL  31          1HG1      VAL  31   8.043  -0.544  -7.941
  135   2HG1  VAL  31          2HG1      VAL  31   8.806   1.046  -8.016
  136   3HG1  VAL  31          3HG1      VAL  31   9.257  -0.091  -6.745
  137   1HG2  VAL  31          1HG2      VAL  31   6.428  -0.044  -4.741
  138   2HG2  VAL  31          2HG2      VAL  31   8.043  -0.660  -5.092
  139   3HG2  VAL  31          3HG2      VAL  31   7.846   0.939  -4.378
  140    H    CYS  32           H        CYS  32   5.522   2.716  -7.923
  141    HA   CYS  32           HA       CYS  32   3.804   3.959  -5.894
  142   1HB   CYS  32          1HB       CYS  32   2.865   4.340  -8.589
  143   2HB   CYS  32          2HB       CYS  32   3.340   5.549  -7.403
  144    H    ILE  33           H        ILE  33   2.461   2.454  -5.106
  145    HA   ILE  33           HA       ILE  33   0.822   0.988  -7.038
  146    HB   ILE  33           HB       ILE  33   0.962  -0.771  -4.899
  147   1HG1  ILE  33          1HG1      ILE  33   3.807  -0.182  -5.689
  148   2HG1  ILE  33          2HG1      ILE  33   3.073   0.588  -4.286
  149   1HG2  ILE  33          1HG2      ILE  33   0.742  -1.331  -7.262
  150   2HG2  ILE  33          2HG2      ILE  33   2.431  -0.894  -7.529
  151   3HG2  ILE  33          3HG2      ILE  33   2.028  -2.267  -6.498
  152   1HD1  ILE  33          1HD1      ILE  33   3.845  -2.245  -4.712
  153   2HD1  ILE  33          2HD1      ILE  33   4.055  -1.209  -3.300
  154   3HD1  ILE  33          3HD1      ILE  33   2.471  -1.895  -3.661
  155    H    ILE  34           H        ILE  34  -1.024  -0.135  -5.729
  156    HA   ILE  34           HA       ILE  34  -1.920   0.903  -3.299
  157    HB   ILE  34           HB       ILE  34  -2.153   3.052  -4.368
  158   1HG1  ILE  34          1HG1      ILE  34  -4.769   3.225  -4.352
  159   2HG1  ILE  34          2HG1      ILE  34  -4.687   1.559  -3.789
  160   1HG2  ILE  34          1HG2      ILE  34  -3.124   1.463  -6.607
  161   2HG2  ILE  34          2HG2      ILE  34  -4.104   2.894  -6.285
  162   3HG2  ILE  34          3HG2      ILE  34  -2.374   3.059  -6.585
  163   1HD1  ILE  34          1HD1      ILE  34  -4.551   2.442  -1.753
  164   2HD1  ILE  34          2HD1      ILE  34  -2.882   2.827  -2.170
  165   3HD1  ILE  34          3HD1      ILE  34  -4.143   4.040  -2.378
  166    H    GLY  35           H        GLY  35  -2.734  -0.354  -6.471
  167   1HA   GLY  35          1HA       GLY  35  -3.825  -2.430  -6.788
  168   2HA   GLY  35          2HA       GLY  35  -4.532  -2.274  -5.185
  169    H    ASN  36           H        ASN  36  -5.687   0.139  -5.205
  170    HA   ASN  36           HA       ASN  36  -7.949  -0.267  -6.939
  171   1HB   ASN  36          1HB       ASN  36  -8.527   0.427  -4.760
  172   2HB   ASN  36          2HB       ASN  36  -7.312   1.699  -4.748
  173   1HD2  ASN  36          1HD2      ASN  36  -9.891   0.831  -7.047
  174   2HD2  ASN  36          2HD2      ASN  36 -10.649   2.386  -7.028
  175    H    LYS  37           H        LYS  37  -8.141   0.532  -8.882
  176    HA   LYS  37           HA       LYS  37  -6.574   2.928  -9.603
  177   1HB   LYS  37          1HB       LYS  37  -6.948   0.351 -10.938
  178   2HB   LYS  37          2HB       LYS  37  -7.293   1.718 -11.989
  179   1HG   LYS  37          1HG       LYS  37  -4.959   2.503 -10.845
  180   2HG   LYS  37          2HG       LYS  37  -4.743   0.752 -10.919
  181   1HD   LYS  37          1HD       LYS  37  -5.487   0.920 -13.346
  182   2HD   LYS  37          2HD       LYS  37  -5.285   2.665 -13.178
  183   1HE   LYS  37          1HE       LYS  37  -3.052   2.532 -13.268
  184   2HE   LYS  37          2HE       LYS  37  -3.005   1.130 -12.202
  185   1HZ   LYS  37          1HZ       LYS  37  -2.176   0.715 -14.493
  186   2HZ   LYS  37          2HZ       LYS  37  -3.746   0.993 -15.072
  187   3HZ   LYS  37          3HZ       LYS  37  -3.450  -0.311 -14.026
  188    H    GLU  38           H        GLU  38  -9.669   1.341  -9.612
  189    HA   GLU  38           HA       GLU  38 -10.864   3.577 -11.102
  190   1HB   GLU  38          1HB       GLU  38 -11.629   0.728 -10.659
  191   2HB   GLU  38          2HB       GLU  38 -12.908   1.903 -10.926
  192   1HG   GLU  38          1HG       GLU  38 -10.966   2.385 -12.895
  193   2HG   GLU  38          2HG       GLU  38 -11.184   0.637 -12.818
  194    H    GLY  39           H        GLY  39 -11.168   5.150  -9.620
  195   1HA   GLY  39          1HA       GLY  39 -12.516   4.503  -7.103
  196   2HA   GLY  39          2HA       GLY  39 -11.799   6.053  -7.530
  197    H    LYS  40           H        LYS  40 -14.652   4.493  -7.046
  198    HA   LYS  40           HA       LYS  40 -16.182   6.563  -8.379
  199   1HB   LYS  40          1HB       LYS  40 -15.678   4.420  -9.923
  200   2HB   LYS  40          2HB       LYS  40 -17.096   3.824  -9.073
  201   1HG   LYS  40          1HG       LYS  40 -17.877   4.795 -11.068
  202   2HG   LYS  40          2HG       LYS  40 -18.270   5.937  -9.784
  203   1HD   LYS  40          1HD       LYS  40 -17.410   7.248 -11.542
  204   2HD   LYS  40          2HD       LYS  40 -16.092   7.112 -10.374
  205   1HE   LYS  40          1HE       LYS  40 -14.978   5.488 -11.696
  206   2HE   LYS  40          2HE       LYS  40 -16.378   5.281 -12.748
  207   1HZ   LYS  40          1HZ       LYS  40 -15.543   6.835 -14.060
  208   2HZ   LYS  40          2HZ       LYS  40 -14.232   7.075 -13.016
  209   3HZ   LYS  40          3HZ       LYS  40 -15.655   7.979 -12.812
  210    H    THR  41           H        THR  41 -16.172   3.549  -6.555
  211    HA   THR  41           HA       THR  41 -18.797   4.063  -5.446
  212    HB   THR  41           HB       THR  41 -17.078   1.918  -4.322
  213    HG1  THR  41           HG1      THR  41 -16.849   0.849  -6.154
  214   1HG2  THR  41          1HG2      THR  41 -19.938   2.345  -5.047
  215   2HG2  THR  41          2HG2      THR  41 -19.236   1.742  -3.545
  216   3HG2  THR  41          3HG2      THR  41 -19.321   0.695  -4.962
  217    H    ARG  42           H        ARG  42 -19.226   4.457  -3.239
  218    HA   ARG  42           HA       ARG  42 -17.221   6.015  -1.893
  219   1HB   ARG  42          1HB       ARG  42 -19.625   6.595  -1.828
  220   2HB   ARG  42          2HB       ARG  42 -19.942   5.121  -0.925
  221   1HG   ARG  42          1HG       ARG  42 -18.080   6.195   0.662
  222   2HG   ARG  42          2HG       ARG  42 -18.749   7.671  -0.038
  223   1HD   ARG  42          1HD       ARG  42 -19.971   7.216   1.953
  224   2HD   ARG  42          2HD       ARG  42 -21.024   6.833   0.593
  225    HE   ARG  42           HE       ARG  42 -19.670   4.870   2.326
  226   1HH1  ARG  42          1HH1      ARG  42 -22.146   5.654  -0.046
  227   2HH1  ARG  42          2HH1      ARG  42 -22.917   4.096   0.082
  228   1HH2  ARG  42          1HH2      ARG  42 -20.693   2.835   2.472
  229   2HH2  ARG  42          2HH2      ARG  42 -22.091   2.504   1.487
  230    H    GLY  43           H        GLY  43 -15.549   4.856  -1.158
  231   1HA   GLY  43          1HA       GLY  43 -15.229   3.671   1.154
  232   2HA   GLY  43          2HA       GLY  43 -16.026   2.361   0.293
  233    H    GLY  44           H        GLY  44 -13.190   2.832   1.377
  234   1HA   GLY  44          1HA       GLY  44 -11.834   1.643  -0.875
  235   2HA   GLY  44          2HA       GLY  44 -11.281   3.265  -0.490
  236    H    GLU  45           H        GLU  45  -9.294   1.859  -0.290
  237    HA   GLU  45           HA       GLU  45  -9.094   0.575   2.345
  238   1HB   GLU  45          1HB       GLU  45  -8.577  -0.978   0.624
  239   2HB   GLU  45          2HB       GLU  45  -7.610   0.194  -0.256
  240   1HG   GLU  45          1HG       GLU  45  -6.132  -1.380   0.714
  241   2HG   GLU  45          2HG       GLU  45  -5.968   0.120   1.627
  242    H    LEU  46           H        LEU  46  -7.285   1.022   3.667
  243    HA   LEU  46           HA       LEU  46  -5.253   2.861   2.898
  244   1HB   LEU  46          1HB       LEU  46  -7.455   4.221   3.544
  245   2HB   LEU  46          2HB       LEU  46  -6.817   3.984   5.162
  246    HG   LEU  46           HG       LEU  46  -4.721   5.068   4.511
  247   1HD1  LEU  46          1HD1      LEU  46  -5.802   6.065   1.962
  248   2HD1  LEU  46          2HD1      LEU  46  -4.154   5.621   2.405
  249   3HD1  LEU  46          3HD1      LEU  46  -5.322   4.369   1.982
  250   1HD2  LEU  46          1HD2      LEU  46  -5.940   7.332   3.745
  251   2HD2  LEU  46          2HD2      LEU  46  -7.336   6.424   4.326
  252   3HD2  LEU  46          3HD2      LEU  46  -5.970   6.726   5.401
  253    H    TYR  47           H        TYR  47  -6.071   0.257   4.411
  254    HA   TYR  47           HA       TYR  47  -4.249   0.638   6.701
  255   1HB   TYR  47          1HB       TYR  47  -6.263  -0.190   7.577
  256   2HB   TYR  47          2HB       TYR  47  -6.555  -1.224   6.187
  257    HD1  TYR  47           HD1      TYR  47  -6.237  -3.492   6.439
  258    HD2  TYR  47           HD2      TYR  47  -4.097  -0.831   8.980
  259    HE1  TYR  47           HE1      TYR  47  -5.340  -5.413   7.690
  260    HE2  TYR  47           HE2      TYR  47  -3.187  -2.741  10.238
  261    HH   TYR  47           HH       TYR  47  -3.465  -5.968   9.130
  262    H    ALA  48           H        ALA  48  -2.326  -0.439   6.678
  263    HA   ALA  48           HA       ALA  48  -1.879  -2.579   4.798
  264   1HB   ALA  48          1HB       ALA  48  -0.278  -0.063   4.414
  265   2HB   ALA  48          2HB       ALA  48  -0.310  -1.503   3.397
  266   3HB   ALA  48          3HB       ALA  48  -1.715  -0.436   3.462
  267    H    VAL  49           H        VAL  49  -0.450  -3.915   5.599
  268    HA   VAL  49           HA       VAL  49   1.430  -2.947   7.658
  269    HB   VAL  49           HB       VAL  49   0.578  -5.802   7.189
  270   1HG1  VAL  49          1HG1      VAL  49   2.730  -4.910   8.534
  271   2HG1  VAL  49          2HG1      VAL  49   1.528  -4.870   9.822
  272   3HG1  VAL  49          3HG1      VAL  49   1.853  -6.379   8.966
  273   1HG2  VAL  49          1HG2      VAL  49  -1.133  -5.648   8.700
  274   2HG2  VAL  49          2HG2      VAL  49  -0.446  -4.230   9.494
  275   3HG2  VAL  49          3HG2      VAL  49  -1.236  -4.066   7.926
  276    H    LEU  50           H        LEU  50   3.424  -2.659   6.792
  277    HA   LEU  50           HA       LEU  50   4.218  -4.167   4.444
  278   1HB   LEU  50          1HB       LEU  50   5.008  -1.719   5.588
  279   2HB   LEU  50          2HB       LEU  50   6.398  -2.772   5.748
  280    HG   LEU  50           HG       LEU  50   5.195  -1.578   3.318
  281   1HD1  LEU  50          1HD1      LEU  50   7.267  -0.682   3.966
  282   2HD1  LEU  50          2HD1      LEU  50   7.960  -2.273   4.273
  283   3HD1  LEU  50          3HD1      LEU  50   7.643  -1.755   2.616
  284   1HD2  LEU  50          1HD2      LEU  50   6.489  -3.494   2.049
  285   2HD2  LEU  50          2HD2      LEU  50   6.031  -4.425   3.474
  286   3HD2  LEU  50          3HD2      LEU  50   4.788  -3.663   2.484
  287    H    HIS  51           H        HIS  51   5.254  -6.072   4.501
  288    HA   HIS  51           HA       HIS  51   6.762  -6.770   6.942
  289   1HB   HIS  51          1HB       HIS  51   5.328  -8.679   5.076
  290   2HB   HIS  51          2HB       HIS  51   6.331  -9.150   6.438
  291    HD1  HIS  51           HD1      HIS  51   5.347  -8.395   8.874
  292    HD2  HIS  51           HD2      HIS  51   2.718  -8.374   5.639
  293    HE1  HIS  51           HE1      HIS  51   3.031  -8.490   9.862
  294    HE2  HIS  51           HE2      HIS  51   1.480  -8.688   7.877
  295    H    SER  52           H        SER  52   8.413  -8.579   6.344
  296    HA   SER  52           HA       SER  52   9.353  -8.548   3.624
  297   1HB   SER  52          1HB       SER  52  11.704  -7.843   4.423
  298   2HB   SER  52          2HB       SER  52  10.502  -6.570   4.215
  299    HG   SER  52           HG       SER  52  10.931  -7.835   6.714
  300    H    THR  53           H        THR  53  10.879 -10.214   3.220
  301    HA   THR  53           HA       THR  53  10.977 -12.347   5.147
  302    HB   THR  53           HB       THR  53  12.857 -12.667   2.989
  303    HG1  THR  53           HG1      THR  53  10.201 -12.045   2.140
  304   1HG2  THR  53          1HG2      THR  53  10.283 -13.955   3.853
  305   2HG2  THR  53          2HG2      THR  53  11.921 -14.604   3.905
  306   3HG2  THR  53          3HG2      THR  53  11.087 -14.443   2.360
  307    H    ASN  54           H        ASN  54  12.002 -10.168   6.313
  308    HA   ASN  54           HA       ASN  54  14.769 -10.729   6.872
  309   1HB   ASN  54          1HB       ASN  54  13.924  -8.242   5.374
  310   2HB   ASN  54          2HB       ASN  54  15.347  -8.241   6.404
  311   1HD2  ASN  54          1HD2      ASN  54  14.344  -8.490   3.328
  312   2HD2  ASN  54          2HD2      ASN  54  15.655  -9.382   2.648
  313    H    VAL  55           H        VAL  55  15.454  -9.468   8.781
  314    HA   VAL  55           HA       VAL  55  13.381  -8.698  10.566
  315    HB   VAL  55           HB       VAL  55  16.346  -8.070  10.598
  316   1HG1  VAL  55          1HG1      VAL  55  14.988  -6.377  11.837
  317   2HG1  VAL  55          2HG1      VAL  55  14.401  -7.682  12.868
  318   3HG1  VAL  55          3HG1      VAL  55  16.119  -7.282  12.844
  319   1HG2  VAL  55          1HG2      VAL  55  15.274 -10.466  10.930
  320   2HG2  VAL  55          2HG2      VAL  55  16.653  -9.922  11.885
  321   3HG2  VAL  55          3HG2      VAL  55  15.027  -9.857  12.567
  322    H    ASN  56           H        ASN  56  15.838  -6.783   8.902
  323    HA   ASN  56           HA       ASN  56  13.770  -4.926   8.050
  324   1HB   ASN  56          1HB       ASN  56  15.360  -2.975   8.397
  325   2HB   ASN  56          2HB       ASN  56  14.651  -3.646   9.870
  326   1HD2  ASN  56          1HD2      ASN  56  17.509  -2.870   8.226
  327   2HD2  ASN  56          2HD2      ASN  56  18.633  -3.498   9.379
  328    H    ALA  57           H        ALA  57  13.845  -5.436   5.965
  329    HA   ALA  57           HA       ALA  57  16.153  -6.215   4.561
  330   1HB   ALA  57          1HB       ALA  57  13.868  -4.824   3.211
  331   2HB   ALA  57          2HB       ALA  57  14.845  -6.182   2.644
  332   3HB   ALA  57          3HB       ALA  57  13.648  -6.424   3.916
  333    H    ASP  58           H        ASP  58  14.373  -3.305   3.704
  334    HA   ASP  58           HA       ASP  58  15.885  -1.315   4.746
  335   1HB   ASP  58          1HB       ASP  58  17.464  -0.600   3.053
  336   2HB   ASP  58          2HB       ASP  58  17.848  -2.241   3.546
  337    H    MET  59           H        MET  59  13.291  -1.403   4.320
  338    HA   MET  59           HA       MET  59  12.905   0.660   2.314
  339   1HB   MET  59          1HB       MET  59  11.133  -0.415   1.158
  340   2HB   MET  59          2HB       MET  59  12.464  -1.560   1.220
  341   1HG   MET  59          1HG       MET  59  10.237  -1.610   3.223
  342   2HG   MET  59          2HG       MET  59  10.118  -2.435   1.670
  343   1HE   MET  59          1HE       MET  59  11.409  -5.750   2.436
  344   2HE   MET  59          2HE       MET  59   9.863  -4.950   2.712
  345   3HE   MET  59          3HE       MET  59  10.774  -4.623   1.238
  346    H    THR  60           H        THR  60  11.018   1.896   2.532
  347    HA   THR  60           HA       THR  60   9.546   1.544   5.061
  348    HB   THR  60           HB       THR  60   9.975   4.293   3.993
  349    HG1  THR  60           HG1      THR  60  12.082   3.257   4.060
  350   1HG2  THR  60          1HG2      THR  60   8.513   4.056   5.879
  351   2HG2  THR  60          2HG2      THR  60  10.014   4.782   6.454
  352   3HG2  THR  60          3HG2      THR  60   9.699   3.072   6.739
  353    H    LEU  61           H        LEU  61   7.416   1.793   4.956
  354    HA   LEU  61           HA       LEU  61   6.118   2.121   2.389
  355   1HB   LEU  61          1HB       LEU  61   5.517   0.806   4.757
  356   2HB   LEU  61          2HB       LEU  61   4.450   2.195   4.797
  357    HG   LEU  61           HG       LEU  61   4.545   0.044   2.677
  358   1HD1  LEU  61          1HD1      LEU  61   2.699  -0.828   3.647
  359   2HD1  LEU  61          2HD1      LEU  61   3.354  -0.050   5.087
  360   3HD1  LEU  61          3HD1      LEU  61   2.086   0.747   4.154
  361   1HD2  LEU  61          1HD2      LEU  61   2.763   2.473   2.819
  362   2HD2  LEU  61          2HD2      LEU  61   4.112   2.273   1.700
  363   3HD2  LEU  61          3HD2      LEU  61   2.717   1.198   1.599
  364    H    ILE  62           H        ILE  62   4.896   3.953   1.789
  365    HA   ILE  62           HA       ILE  62   4.571   6.026   3.812
  366    HB   ILE  62           HB       ILE  62   6.252   6.284   1.480
  367   1HG1  ILE  62          1HG1      ILE  62   6.439   8.619   2.831
  368   2HG1  ILE  62          2HG1      ILE  62   5.702   7.603   4.065
  369   1HG2  ILE  62          1HG2      ILE  62   3.857   8.075   1.638
  370   2HG2  ILE  62          2HG2      ILE  62   5.390   8.667   0.998
  371   3HG2  ILE  62          3HG2      ILE  62   4.582   7.302   0.228
  372   1HD1  ILE  62          1HD1      ILE  62   8.220   7.737   4.062
  373   2HD1  ILE  62          2HD1      ILE  62   7.519   6.117   4.072
  374   3HD1  ILE  62          3HD1      ILE  62   8.174   6.786   2.577
  375    H    LEU  63           H        LEU  63   2.596   6.767   3.977
  376    HA   LEU  63           HA       LEU  63   0.637   6.215   1.870
  377   1HB   LEU  63          1HB       LEU  63   0.420   5.960   4.517
  378   2HB   LEU  63          2HB       LEU  63  -0.024   7.646   4.397
  379    HG   LEU  63           HG       LEU  63  -1.430   5.247   3.370
  380   1HD1  LEU  63          1HD1      LEU  63  -2.669   7.598   4.721
  381   2HD1  LEU  63          2HD1      LEU  63  -3.182   5.909   4.717
  382   3HD1  LEU  63          3HD1      LEU  63  -1.778   6.404   5.665
  383   1HD2  LEU  63          1HD2      LEU  63  -2.818   6.470   1.941
  384   2HD2  LEU  63          2HD2      LEU  63  -2.240   8.013   2.569
  385   3HD2  LEU  63          3HD2      LEU  63  -1.185   7.021   1.560
  386    H    LEU  64           H        LEU  64   0.673   7.769   0.313
  387    HA   LEU  64           HA       LEU  64   0.537  10.529   1.295
  388   1HB   LEU  64          1HB       LEU  64   2.784   9.963   0.306
  389   2HB   LEU  64          2HB       LEU  64   1.970   9.746  -1.233
  390    HG   LEU  64           HG       LEU  64   1.238  12.288  -0.129
  391   1HD1  LEU  64          1HD1      LEU  64   3.780  11.581   0.685
  392   2HD1  LEU  64          2HD1      LEU  64   4.044  12.561  -0.758
  393   3HD1  LEU  64          3HD1      LEU  64   3.118  13.214   0.594
  394   1HD2  LEU  64          1HD2      LEU  64   2.186  11.095  -2.591
  395   2HD2  LEU  64          2HD2      LEU  64   1.078  12.443  -2.333
  396   3HD2  LEU  64          3HD2      LEU  64   2.819  12.721  -2.326
  397    H    ARG  65           H        ARG  65  -0.678  11.953   0.092
  398    HA   ARG  65           HA       ARG  65  -2.431  10.747  -1.935
  399   1HB   ARG  65          1HB       ARG  65  -3.859  11.205  -0.135
  400   2HB   ARG  65          2HB       ARG  65  -2.977  12.651   0.323
  401   1HG   ARG  65          1HG       ARG  65  -4.169  12.875  -2.312
  402   2HG   ARG  65          2HG       ARG  65  -5.359  12.549  -1.051
  403   1HD   ARG  65          1HD       ARG  65  -3.490  14.870  -1.343
  404   2HD   ARG  65          2HD       ARG  65  -5.232  14.875  -1.089
  405    HE   ARG  65           HE       ARG  65  -4.835  14.303   1.227
  406   1HH1  ARG  65          1HH1      ARG  65  -1.981  15.192  -0.605
  407   2HH1  ARG  65          2HH1      ARG  65  -1.088  15.728   0.787
  408   1HH2  ARG  65          1HH2      ARG  65  -3.672  15.010   3.070
  409   2HH2  ARG  65          2HH2      ARG  65  -2.045  15.612   2.881
  410    H    ASN  66           H        ASN  66  -1.647  11.427  -3.829
  411    HA   ASN  66           HA       ASN  66  -1.185  14.306  -4.167
  412   1HB   ASN  66          1HB       ASN  66   1.000  13.019  -3.992
  413   2HB   ASN  66          2HB       ASN  66   0.549  12.214  -5.492
  414   1HD2  ASN  66          1HD2      ASN  66   1.934  13.007  -6.936
  415   2HD2  ASN  66          2HD2      ASN  66   2.184  14.700  -7.235
  416    H    VAL  67           H        VAL  67  -1.304  14.968  -6.446
  417    HA   VAL  67           HA       VAL  67  -2.082  13.385  -8.557
  418    HB   VAL  67           HB       VAL  67  -4.060  12.944  -7.048
  419   1HG1  VAL  67          1HG1      VAL  67  -4.683  15.814  -7.745
  420   2HG1  VAL  67          2HG1      VAL  67  -5.865  14.671  -7.106
  421   3HG1  VAL  67          3HG1      VAL  67  -4.462  15.120  -6.140
  422   1HG2  VAL  67          1HG2      VAL  67  -3.964  13.488  -9.863
  423   2HG2  VAL  67          2HG2      VAL  67  -4.885  12.264  -8.990
  424   3HG2  VAL  67          3HG2      VAL  67  -5.565  13.873  -9.231
  425    H    GLY  68           H        GLY  68  -2.085  16.430  -6.915
  426   1HA   GLY  68          1HA       GLY  68  -2.008  17.778  -9.544
  427   2HA   GLY  68          2HA       GLY  68  -2.599  18.541  -8.075
  428    H    GLY  69           H        GLY  69   0.120  16.520  -7.651
  429   1HA   GLY  69          1HA       GLY  69   1.851  18.912  -7.531
  430   2HA   GLY  69          2HA       GLY  69   1.894  17.641  -6.319
  431    H    ASN  70           H        ASN  70   1.399  16.284  -9.320
  432    HA   ASN  70           HA       ASN  70   2.645  15.136 -10.814
  433   1HB   ASN  70          1HB       ASN  70   3.855  17.500 -10.808
  434   2HB   ASN  70          2HB       ASN  70   5.176  16.547 -10.136
  435   1HD2  ASN  70          1HD2      ASN  70   6.518  16.616 -11.866
  436   2HD2  ASN  70          2HD2      ASN  70   6.161  15.903 -13.406
  437    H    GLY  71           H        GLY  71   3.261  13.120 -10.611
  438   1HA   GLY  71          1HA       GLY  71   4.474  11.272  -9.954
  439   2HA   GLY  71          2HA       GLY  71   5.594  12.355  -9.143
  440    H    TRP  72           H        TRP  72   5.792  11.104  -7.301
  441    HA   TRP  72           HA       TRP  72   3.574  11.368  -5.431
  442   1HB   TRP  72          1HB       TRP  72   5.015   8.733  -5.793
  443   2HB   TRP  72          2HB       TRP  72   3.730   9.078  -4.646
  444    HD1  TRP  72           HD1      TRP  72   4.312   7.669  -7.999
  445    HE1  TRP  72           HE1      TRP  72   2.076   7.302  -9.229
  446    HE3  TRP  72           HE3      TRP  72   1.195  10.381  -4.947
  447    HZ2  TRP  72           HZ2      TRP  72  -0.622   8.018  -8.937
  448    HZ3  TRP  72           HZ3      TRP  72  -1.191  10.466  -5.496
  449    HH2  TRP  72           HH2      TRP  72  -2.083   9.312  -7.448
  450    H    GLY  73           H        GLY  73   4.258  11.326  -3.238
  451   1HA   GLY  73          1HA       GLY  73   7.177  11.560  -2.875
  452   2HA   GLY  73          2HA       GLY  73   6.070  12.761  -2.224
  453    H    GLU  74           H        GLU  74   7.484  11.922  -0.301
  454    HA   GLU  74           HA       GLU  74   6.212   9.584   0.940
  455   1HB   GLU  74          1HB       GLU  74   8.606  11.063   2.010
  456   2HB   GLU  74          2HB       GLU  74   8.080   9.426   2.380
  457   1HG   GLU  74          1HG       GLU  74   9.356   8.612   0.775
  458   2HG   GLU  74          2HG       GLU  74   8.582   9.647  -0.423
  459    H    ILE  75           H        ILE  75   5.110   9.728   2.893
  460    HA   ILE  75           HA       ILE  75   5.550  11.962   4.592
  461    HB   ILE  75           HB       ILE  75   3.954  13.076   3.207
  462   1HG1  ILE  75          1HG1      ILE  75   2.110  12.592   5.421
  463   2HG1  ILE  75          2HG1      ILE  75   3.771  12.854   5.942
  464   1HG2  ILE  75          1HG2      ILE  75   2.376  11.978   2.139
  465   2HG2  ILE  75          2HG2      ILE  75   2.601  10.558   3.162
  466   3HG2  ILE  75          3HG2      ILE  75   1.501  11.842   3.664
  467   1HD1  ILE  75          1HD1      ILE  75   2.907  14.984   5.954
  468   2HD1  ILE  75          2HD1      ILE  75   3.667  14.909   4.364
  469   3HD1  ILE  75          3HD1      ILE  75   1.922  14.709   4.518
  470    H    LYS  76           H        LYS  76   2.496   9.972   4.643
  471    HA   LYS  76           HA       LYS  76   3.423   9.420   7.394
  472   1HB   LYS  76          1HB       LYS  76   1.405  10.854   7.176
  473   2HB   LYS  76          2HB       LYS  76   0.568   9.501   6.424
  474   1HG   LYS  76          1HG       LYS  76   0.104   9.841   8.868
  475   2HG   LYS  76          2HG       LYS  76   0.645   8.221   8.416
  476   1HD   LYS  76          1HD       LYS  76   2.983   8.994   9.035
  477   2HD   LYS  76          2HD       LYS  76   2.216  10.405   9.765
  478   1HE   LYS  76          1HE       LYS  76   0.745   8.495  10.910
  479   2HE   LYS  76          2HE       LYS  76   2.226   7.571  10.641
  480   1HZ   LYS  76          1HZ       LYS  76   1.703   9.707  12.507
  481   2HZ   LYS  76          2HZ       LYS  76   3.154   9.895  11.651
  482   3HZ   LYS  76          3HZ       LYS  76   2.884   8.488  12.552
  483    H    ARG  77           H        ARG  77   4.536   7.416   6.743
  484    HA   ARG  77           HA       ARG  77   2.611   5.348   7.290
  485   1HB   ARG  77          1HB       ARG  77   3.588   5.574   4.681
  486   2HB   ARG  77          2HB       ARG  77   4.357   4.166   5.395
  487   1HG   ARG  77          1HG       ARG  77   1.783   4.362   4.297
  488   2HG   ARG  77          2HG       ARG  77   2.517   2.975   5.095
  489   1HD   ARG  77          1HD       ARG  77   1.560   3.515   7.162
  490   2HD   ARG  77          2HD       ARG  77   1.203   5.167   6.665
  491    HE   ARG  77           HE       ARG  77  -0.765   4.438   5.756
  492   1HH1  ARG  77          1HH1      ARG  77   1.318   1.688   6.279
  493   2HH1  ARG  77          2HH1      ARG  77   0.079   0.514   6.002
  494   1HH2  ARG  77          1HH2      ARG  77  -2.429   2.897   5.375
  495   2HH2  ARG  77          2HH2      ARG  77  -2.057   1.207   5.466
  496    H    ASN  78           H        ASN  78   4.071   3.124   7.215
  497    HA   ASN  78           HA       ASN  78   5.776   3.652   9.543
  498   1HB   ASN  78          1HB       ASN  78   3.447   2.239   9.388
  499   2HB   ASN  78          2HB       ASN  78   4.632   0.963   9.148
  500   1HD2  ASN  78          1HD2      ASN  78   2.909   1.125  11.334
  501   2HD2  ASN  78          2HD2      ASN  78   3.873   1.326  12.750
  502    H    ASP  79           H        ASP  79   7.358   1.829   9.982
  503    HA   ASP  79           HA       ASP  79   8.849   1.256   7.566
  504   1HB   ASP  79          1HB       ASP  79  10.509   0.213   9.175
  505   2HB   ASP  79          2HB       ASP  79  10.238   1.940   9.362
  506    H    ILE  80           H        ILE  80  10.062  -1.170   8.331
  507    HA   ILE  80           HA       ILE  80   8.073  -2.873   7.156
  508    HB   ILE  80           HB       ILE  80  10.371  -4.390   7.857
  509   1HG1  ILE  80          1HG1      ILE  80  11.891  -2.882   6.278
  510   2HG1  ILE  80          2HG1      ILE  80  10.922  -1.593   6.986
  511   1HG2  ILE  80          1HG2      ILE  80   8.643  -4.109   5.772
  512   2HG2  ILE  80          2HG2      ILE  80  10.134  -3.450   5.100
  513   3HG2  ILE  80          3HG2      ILE  80  10.109  -5.088   5.750
  514   1HD1  ILE  80          1HD1      ILE  80  12.494  -1.598   8.571
  515   2HD1  ILE  80          2HD1      ILE  80  11.625  -3.003   9.189
  516   3HD1  ILE  80          3HD1      ILE  80  13.040  -3.224   8.162
  517    H    ASP  81           H        ASP  81   7.378  -4.829   7.880
  518    HA   ASP  81           HA       ASP  81   6.224  -6.111   9.314
  519   1HB   ASP  81          1HB       ASP  81   8.771  -6.567   9.944
  520   2HB   ASP  81          2HB       ASP  81   8.258  -5.854  11.474
  521    H    LYS  82           H        LYS  82   5.652  -3.388   9.288
  522    HA   LYS  82           HA       LYS  82   4.569  -3.090  12.004
  523   1HB   LYS  82          1HB       LYS  82   5.821  -0.976  10.256
  524   2HB   LYS  82          2HB       LYS  82   4.764  -0.582  11.602
  525   1HG   LYS  82          1HG       LYS  82   6.773  -2.404  12.488
  526   2HG   LYS  82          2HG       LYS  82   7.532  -1.050  11.649
  527   1HD   LYS  82          1HD       LYS  82   6.047   0.453  13.071
  528   2HD   LYS  82          2HD       LYS  82   5.710  -0.984  14.040
  529   1HE   LYS  82          1HE       LYS  82   7.557  -0.538  15.193
  530   2HE   LYS  82          2HE       LYS  82   8.477  -0.950  13.748
  531   1HZ   LYS  82          1HZ       LYS  82   9.096   1.217  14.590
  532   2HZ   LYS  82          2HZ       LYS  82   7.495   1.763  14.468
  533   3HZ   LYS  82          3HZ       LYS  82   8.371   1.370  13.063
  534    HA   PRO  83           HA       PRO  83   0.869  -2.566   9.579
  535   1HB   PRO  83          1HB       PRO  83  -0.874  -2.805  11.605
  536   2HB   PRO  83          2HB       PRO  83   0.045  -4.188  11.003
  537   1HG   PRO  83          1HG       PRO  83   0.351  -2.674  13.507
  538   2HG   PRO  83          2HG       PRO  83   0.830  -4.337  13.135
  539   1HD   PRO  83          1HD       PRO  83   2.475  -1.979  13.158
  540   2HD   PRO  83          2HD       PRO  83   2.959  -3.644  12.778
  541    H    LEU  84           H        LEU  84  -0.189  -0.775   8.934
  542    HA   LEU  84           HA       LEU  84  -0.644   1.339  10.917
  543   1HB   LEU  84          1HB       LEU  84   1.228   1.592   8.953
  544   2HB   LEU  84          2HB       LEU  84  -0.184   2.264   8.163
  545    HG   LEU  84           HG       LEU  84   1.407   3.852   9.429
  546   1HD1  LEU  84          1HD1      LEU  84  -0.262   5.359   9.429
  547   2HD1  LEU  84          2HD1      LEU  84  -1.182   4.050   8.688
  548   3HD1  LEU  84          3HD1      LEU  84  -1.317   4.353  10.421
  549   1HD2  LEU  84          1HD2      LEU  84   0.987   2.166  11.504
  550   2HD2  LEU  84          2HD2      LEU  84   1.501   3.846  11.667
  551   3HD2  LEU  84          3HD2      LEU  84  -0.202   3.424  11.843
  552    H    LYS  85           H        LYS  85  -2.708   1.625  11.138
  553    HA   LYS  85           HA       LYS  85  -4.501   1.191   8.848
  554   1HB   LYS  85          1HB       LYS  85  -4.841  -0.105  11.018
  555   2HB   LYS  85          2HB       LYS  85  -5.290   1.425  11.755
  556   1HG   LYS  85          1HG       LYS  85  -7.013   1.576   9.834
  557   2HG   LYS  85          2HG       LYS  85  -6.728  -0.157   9.668
  558   1HD   LYS  85          1HD       LYS  85  -7.989  -0.607  11.449
  559   2HD   LYS  85          2HD       LYS  85  -7.106   0.559  12.436
  560   1HE   LYS  85          1HE       LYS  85  -8.542   2.278  11.023
  561   2HE   LYS  85          2HE       LYS  85  -9.617   0.891  10.881
  562   1HZ   LYS  85          1HZ       LYS  85  -8.641   1.442  13.556
  563   2HZ   LYS  85          2HZ       LYS  85 -10.195   1.008  13.032
  564   3HZ   LYS  85          3HZ       LYS  85  -9.675   2.619  12.906
  565    H    TYR  86           H        TYR  86  -6.052   2.791   8.336
  566    HA   TYR  86           HA       TYR  86  -5.207   5.465   8.823
  567   1HB   TYR  86          1HB       TYR  86  -7.090   6.130   7.447
  568   2HB   TYR  86          2HB       TYR  86  -6.273   4.763   6.705
  569    HD1  TYR  86           HD1      TYR  86  -9.372   5.996   8.114
  570    HD2  TYR  86           HD2      TYR  86  -7.333   2.501   6.792
  571    HE1  TYR  86           HE1      TYR  86 -11.517   4.802   7.976
  572    HE2  TYR  86           HE2      TYR  86  -9.473   1.300   6.655
  573    HH   TYR  86           HH       TYR  86 -12.542   2.903   7.440
  574    H    GLU  87           H        GLU  87  -6.166   7.064  10.042
  575    HA   GLU  87           HA       GLU  87  -7.930   6.103  12.178
  576   1HB   GLU  87          1HB       GLU  87  -5.719   7.959  12.053
  577   2HB   GLU  87          2HB       GLU  87  -7.141   8.742  12.725
  578   1HG   GLU  87          1HG       GLU  87  -5.841   6.222  13.730
  579   2HG   GLU  87          2HG       GLU  87  -5.790   7.813  14.487
  580    H    ASP  88           H        ASP  88  -7.720   8.295   9.514
  581    HA   ASP  88           HA       ASP  88 -10.544   8.980   9.856
  582   1HB   ASP  88          1HB       ASP  88  -9.912  11.043  10.550
  583   2HB   ASP  88          2HB       ASP  88  -8.259  10.824   9.992
  584    H    TYR  89           H        TYR  89 -11.660   8.948   7.993
  585    HA   TYR  89           HA       TYR  89 -10.148   8.792   5.468
  586   1HB   TYR  89          1HB       TYR  89 -11.322   6.626   6.553
  587   2HB   TYR  89          2HB       TYR  89 -12.700   7.284   5.677
  588    HD1  TYR  89           HD1      TYR  89 -12.922   5.577   4.052
  589    HD2  TYR  89           HD2      TYR  89  -9.178   7.526   4.567
  590    HE1  TYR  89           HE1      TYR  89 -12.104   4.536   1.980
  591    HE2  TYR  89           HE2      TYR  89  -8.348   6.494   2.495
  592    HH   TYR  89           HH       TYR  89  -8.814   4.552   1.091
  593    H    TYR  90           H        TYR  90 -11.405  11.087   6.698
  594    HA   TYR  90           HA       TYR  90 -13.864  11.456   5.163
  595   1HB   TYR  90          1HB       TYR  90 -12.568  13.018   7.389
  596   2HB   TYR  90          2HB       TYR  90 -13.914  13.669   6.459
  597    HD1  TYR  90           HD1      TYR  90 -12.916  10.813   8.609
  598    HD2  TYR  90           HD2      TYR  90 -16.128  13.084   6.996
  599    HE1  TYR  90           HE1      TYR  90 -14.486   9.617  10.070
  600    HE2  TYR  90           HE2      TYR  90 -17.709  11.895   8.457
  601    HH   TYR  90           HH       TYR  90 -17.395  10.623  10.855
  602    H    THR  91           H        THR  91 -11.532  13.983   5.919
  603    HA   THR  91           HA       THR  91 -11.519  14.653   3.053
  604    HB   THR  91           HB       THR  91 -10.714  16.863   4.690
  605    HG1  THR  91           HG1      THR  91 -13.283  15.776   5.343
  606   1HG2  THR  91          1HG2      THR  91 -13.144  17.534   3.684
  607   2HG2  THR  91          2HG2      THR  91 -12.691  16.210   2.611
  608   3HG2  THR  91          3HG2      THR  91 -11.635  17.613   2.774
  609    H    SER  92           H        SER  92  -9.653  12.832   4.305
  610    HA   SER  92           HA       SER  92  -7.192  14.249   4.731
  611   1HB   SER  92          1HB       SER  92  -6.798  11.446   4.279
  612   2HB   SER  92          2HB       SER  92  -6.679  12.349   5.791
  613    HG   SER  92           HG       SER  92  -8.590  11.669   6.360
  614    H    GLY  93           H        GLY  93  -8.878  13.275   1.972
  615   1HA   GLY  93          1HA       GLY  93  -7.292  14.377   0.114
  616   2HA   GLY  93          2HA       GLY  93  -6.510  12.825   0.360
  617    H    LEU  94           H        LEU  94  -7.093  12.926  -2.030
  618    HA   LEU  94           HA       LEU  94  -9.807  11.913  -2.507
  619   1HB   LEU  94          1HB       LEU  94  -7.777  12.995  -4.469
  620   2HB   LEU  94          2HB       LEU  94  -9.396  12.457  -4.872
  621    HG   LEU  94           HG       LEU  94 -10.009  14.342  -3.054
  622   1HD1  LEU  94          1HD1      LEU  94  -8.544  16.315  -3.573
  623   2HD1  LEU  94          2HD1      LEU  94  -7.786  15.073  -2.578
  624   3HD1  LEU  94          3HD1      LEU  94  -7.397  15.188  -4.295
  625   1HD2  LEU  94          1HD2      LEU  94 -10.842  15.519  -4.825
  626   2HD2  LEU  94          2HD2      LEU  94  -9.382  15.317  -5.789
  627   3HD2  LEU  94          3HD2      LEU  94 -10.519  13.981  -5.622
  628    H    SER  95           H        SER  95  -6.885  11.475  -4.432
  629    HA   SER  95           HA       SER  95  -7.240   8.592  -4.371
  630   1HB   SER  95          1HB       SER  95  -4.919   9.580  -5.830
  631   2HB   SER  95          2HB       SER  95  -6.292   8.642  -6.417
  632    HG   SER  95           HG       SER  95  -6.522  10.527  -7.457
  633    H    TRP  96           H        TRP  96  -5.559   7.150  -3.746
  634    HA   TRP  96           HA       TRP  96  -3.597   8.346  -1.902
  635   1HB   TRP  96          1HB       TRP  96  -4.912   5.648  -1.541
  636   2HB   TRP  96          2HB       TRP  96  -3.905   6.514  -0.385
  637    HD1  TRP  96           HD1      TRP  96  -7.466   6.339  -1.713
  638    HE1  TRP  96           HE1      TRP  96  -8.983   7.770  -0.208
  639    HE3  TRP  96           HE3      TRP  96  -3.875   8.595   1.143
  640    HZ2  TRP  96           HZ2      TRP  96  -8.696   9.607   1.915
  641    HZ3  TRP  96           HZ3      TRP  96  -4.582  10.175   2.888
  642    HH2  TRP  96           HH2      TRP  96  -6.945  10.667   3.264
  643    H    ILE  97           H        ILE  97  -1.586   7.315  -1.741
  644    HA   ILE  97           HA       ILE  97  -1.063   5.220  -3.724
  645    HB   ILE  97           HB       ILE  97  -0.343   7.658  -4.339
  646   1HG1  ILE  97          1HG1      ILE  97   0.331   5.199  -5.227
  647   2HG1  ILE  97          2HG1      ILE  97   0.944   6.688  -5.933
  648   1HG2  ILE  97          1HG2      ILE  97   0.832   8.249  -2.346
  649   2HG2  ILE  97          2HG2      ILE  97   1.887   6.844  -2.491
  650   3HG2  ILE  97          3HG2      ILE  97   1.991   8.150  -3.671
  651   1HD1  ILE  97          1HD1      ILE  97   2.984   6.492  -4.678
  652   2HD1  ILE  97          2HD1      ILE  97   2.360   5.078  -3.828
  653   3HD1  ILE  97          3HD1      ILE  97   2.681   4.994  -5.559
  654    H    TRP  98           H        TRP  98   0.297   3.623  -3.122
  655    HA   TRP  98           HA       TRP  98   1.450   3.716  -0.427
  656   1HB   TRP  98          1HB       TRP  98   1.128   1.448  -2.411
  657   2HB   TRP  98          2HB       TRP  98   1.937   1.285  -0.857
  658    HD1  TRP  98           HD1      TRP  98  -0.931  -0.068  -2.026
  659    HE1  TRP  98           HE1      TRP  98  -2.936  -0.018  -0.415
  660    HE3  TRP  98           HE3      TRP  98   0.672   3.602   1.152
  661    HZ2  TRP  98           HZ2      TRP  98  -3.730   1.386   1.895
  662    HZ3  TRP  98           HZ3      TRP  98  -0.767   4.242   3.031
  663    HH2  TRP  98           HH2      TRP  98  -2.928   3.150   3.398
  664    H    LYS  99           H        LYS  99   3.209   5.108  -0.820
  665    HA   LYS  99           HA       LYS  99   5.018   4.467  -3.000
  666   1HB   LYS  99          1HB       LYS  99   4.445   6.792  -1.427
  667   2HB   LYS  99          2HB       LYS  99   6.163   6.434  -1.318
  668   1HG   LYS  99          1HG       LYS  99   5.329   6.174  -4.033
  669   2HG   LYS  99          2HG       LYS  99   4.776   7.725  -3.400
  670   1HD   LYS  99          1HD       LYS  99   6.928   8.469  -2.978
  671   2HD   LYS  99          2HD       LYS  99   7.587   6.833  -2.903
  672   1HE   LYS  99          1HE       LYS  99   7.568   6.594  -5.232
  673   2HE   LYS  99          2HE       LYS  99   6.454   7.944  -5.447
  674   1HZ   LYS  99          1HZ       LYS  99   8.150   9.485  -5.006
  675   2HZ   LYS  99          2HZ       LYS  99   8.856   8.343  -6.042
  676   3HZ   LYS  99          3HZ       LYS  99   9.201   8.305  -4.379
  677    H    ILE 100           H        ILE 100   6.131   2.651  -2.613
  678    HA   ILE 100           HA       ILE 100   7.401   2.196  -0.036
  679    HB   ILE 100           HB       ILE 100   7.741   0.625  -2.593
  680   1HG1  ILE 100          1HG1      ILE 100   5.871   0.195  -0.250
  681   2HG1  ILE 100          2HG1      ILE 100   5.406   0.584  -1.903
  682   1HG2  ILE 100          1HG2      ILE 100   9.403  -0.340  -1.457
  683   2HG2  ILE 100          2HG2      ILE 100   8.946   0.465   0.047
  684   3HG2  ILE 100          3HG2      ILE 100   8.157  -1.041  -0.425
  685   1HD1  ILE 100          1HD1      ILE 100   6.576  -1.612  -2.529
  686   2HD1  ILE 100          2HD1      ILE 100   6.483  -1.978  -0.806
  687   3HD1  ILE 100          3HD1      ILE 100   5.006  -1.692  -1.727
  688    H    LYS 101           H        LYS 101   8.766   3.872   0.227
  689    HA   LYS 101           HA       LYS 101  10.894   4.263  -1.731
  690   1HB   LYS 101          1HB       LYS 101  10.223   6.355  -1.009
  691   2HB   LYS 101          2HB       LYS 101   9.875   5.803   0.625
  692   1HG   LYS 101          1HG       LYS 101  11.737   7.100   0.961
  693   2HG   LYS 101          2HG       LYS 101  12.465   5.503   0.766
  694   1HD   LYS 101          1HD       LYS 101  13.669   6.262  -0.943
  695   2HD   LYS 101          2HD       LYS 101  12.186   6.660  -1.811
  696   1HE   LYS 101          1HE       LYS 101  12.698   8.620   0.220
  697   2HE   LYS 101          2HE       LYS 101  14.118   8.430  -0.806
  698   1HZ   LYS 101          1HZ       LYS 101  11.847   8.493  -2.448
  699   2HZ   LYS 101          2HZ       LYS 101  13.114   9.614  -2.359
  700   3HZ   LYS 101          3HZ       LYS 101  11.747   9.805  -1.373
  701    H    ASN 102           H        ASN 102  12.721   3.211  -1.552
  702    HA   ASN 102           HA       ASN 102  13.043   1.483   0.738
  703   1HB   ASN 102          1HB       ASN 102  13.218   0.247  -1.158
  704   2HB   ASN 102          2HB       ASN 102  13.994   1.540  -2.074
  705   1HD2  ASN 102          1HD2      ASN 102  14.478  -1.419  -0.768
  706   2HD2  ASN 102          2HD2      ASN 102  16.198  -1.395  -0.587
  707    H    ASN 103           H        ASN 103  14.868   1.367   2.028
  708    HA   ASN 103           HA       ASN 103  15.762   4.017   2.691
  709   1HB   ASN 103          1HB       ASN 103  15.324   1.566   4.122
  710   2HB   ASN 103          2HB       ASN 103  16.993   2.072   4.376
  711   1HD2  ASN 103          1HD2      ASN 103  15.502   2.045   6.526
  712   2HD2  ASN 103          2HD2      ASN 103  15.061   3.640   7.034
  713    H    SER 104           H        SER 104  17.347   1.009   1.636
  714    HA   SER 104           HA       SER 104  19.895   2.482   1.732
  715   1HB   SER 104          1HB       SER 104  19.480  -0.502   2.015
  716   2HB   SER 104          2HB       SER 104  21.022   0.350   2.131
  717    HG   SER 104           HG       SER 104  19.473   1.562   3.821
  718    H    SER 105           H        SER 105  19.920  -0.623   0.267
  719    HA   SER 105           HA       SER 105  19.597   0.309  -2.419
  720   1HB   SER 105          1HB       SER 105  22.200  -0.460  -2.709
  721   2HB   SER 105          2HB       SER 105  21.672   1.216  -2.568
  722    HG   SER 105           HG       SER 105  23.301   0.840  -1.070
  723    H    GLU 106           H        GLU 106  18.751  -1.884  -0.632
  724    HA   GLU 106           HA       GLU 106  19.934  -4.187  -2.042
  725   1HB   GLU 106          1HB       GLU 106  18.226  -4.351   0.430
  726   2HB   GLU 106          2HB       GLU 106  19.348  -5.545  -0.204
  727   1HG   GLU 106          1HG       GLU 106  20.853  -3.229   0.297
  728   2HG   GLU 106          2HG       GLU 106  19.802  -3.459   1.694
  729    H    THR 107           H        THR 107  18.591  -5.709  -3.023
  730    HA   THR 107           HA       THR 107  15.988  -4.838  -3.823
  731    HB   THR 107           HB       THR 107  16.579  -7.695  -4.161
  732    HG1  THR 107           HG1      THR 107  18.574  -7.480  -4.815
  733   1HG2  THR 107          1HG2      THR 107  16.400  -5.928  -6.501
  734   2HG2  THR 107          2HG2      THR 107  15.017  -5.834  -5.409
  735   3HG2  THR 107          3HG2      THR 107  15.485  -7.384  -6.108
  736    H    SER 108           H        SER 108  14.594  -4.662  -2.151
  737    HA   SER 108           HA       SER 108  14.624  -6.692  -0.066
  738   1HB   SER 108          1HB       SER 108  12.676  -4.649   0.391
  739   2HB   SER 108          2HB       SER 108  14.176  -4.956   1.260
  740    HG   SER 108           HG       SER 108  15.150  -3.413   0.195
  741    H    ASN 109           H        ASN 109  13.230  -8.294   0.023
  742    HA   ASN 109           HA       ASN 109  10.893  -8.362  -1.664
  743   1HB   ASN 109          1HB       ASN 109  12.347 -10.377  -1.127
  744   2HB   ASN 109          2HB       ASN 109  11.648 -10.344   0.488
  745   1HD2  ASN 109          1HD2      ASN 109  11.501 -12.026  -2.176
  746   2HD2  ASN 109          2HD2      ASN 109   9.818 -12.430  -2.240
  747    H    TYR 110           H        TYR 110   9.071  -7.405  -1.105
  748    HA   TYR 110           HA       TYR 110   8.539  -6.967   1.755
  749   1HB   TYR 110          1HB       TYR 110   7.026  -5.109   0.962
  750   2HB   TYR 110          2HB       TYR 110   8.736  -4.846   0.666
  751    HD1  TYR 110           HD1      TYR 110   9.569  -4.574  -1.548
  752    HD2  TYR 110           HD2      TYR 110   5.523  -5.731  -0.936
  753    HE1  TYR 110           HE1      TYR 110   9.088  -4.143  -3.919
  754    HE2  TYR 110           HE2      TYR 110   5.035  -5.303  -3.307
  755    HH   TYR 110           HH       TYR 110   6.186  -3.697  -5.157
  756    H    SER 111           H        SER 111   6.602  -7.508   2.624
  757    HA   SER 111           HA       SER 111   4.568  -8.657   0.834
  758   1HB   SER 111          1HB       SER 111   4.338  -9.494   3.621
  759   2HB   SER 111          2HB       SER 111   4.379 -10.478   2.159
  760    HG   SER 111           HG       SER 111   6.163 -10.822   3.633
  761    H    LEU 112           H        LEU 112   3.294  -6.887   0.563
  762    HA   LEU 112           HA       LEU 112   2.713  -5.149   2.821
  763   1HB   LEU 112          1HB       LEU 112   3.279  -4.256   0.564
  764   2HB   LEU 112          2HB       LEU 112   1.782  -4.940  -0.042
  765    HG   LEU 112           HG       LEU 112   0.459  -3.422   1.198
  766   1HD1  LEU 112          1HD1      LEU 112   1.726  -3.584   3.302
  767   2HD1  LEU 112          2HD1      LEU 112   2.955  -2.518   2.621
  768   3HD1  LEU 112          3HD1      LEU 112   1.315  -1.921   2.880
  769   1HD2  LEU 112          1HD2      LEU 112   2.843  -1.833   0.268
  770   2HD2  LEU 112          2HD2      LEU 112   1.620  -2.510  -0.807
  771   3HD2  LEU 112          3HD2      LEU 112   1.170  -1.287   0.383
  772    H    ASP 113           H        ASP 113   1.227  -5.903   4.172
  773    HA   ASP 113           HA       ASP 113  -1.021  -7.493   3.280
  774   1HB   ASP 113          1HB       ASP 113   0.009  -6.560   5.944
  775   2HB   ASP 113          2HB       ASP 113  -1.627  -7.190   5.813
  776    H    ALA 114           H        ALA 114  -2.510  -6.280   2.161
  777    HA   ALA 114           HA       ALA 114  -3.660  -3.981   3.617
  778   1HB   ALA 114          1HB       ALA 114  -2.748  -3.178   1.563
  779   2HB   ALA 114          2HB       ALA 114  -3.487  -4.492   0.649
  780   3HB   ALA 114          3HB       ALA 114  -4.500  -3.238   1.365
  781    H    THR 115           H        THR 115  -5.513  -4.547   4.579
  782    HA   THR 115           HA       THR 115  -7.484  -6.057   3.085
  783    HB   THR 115           HB       THR 115  -7.436  -7.259   5.676
  784    HG1  THR 115           HG1      THR 115  -4.976  -6.752   4.622
  785   1HG2  THR 115          1HG2      THR 115  -7.362  -9.299   4.400
  786   2HG2  THR 115          2HG2      THR 115  -6.760  -8.440   2.983
  787   3HG2  THR 115          3HG2      THR 115  -8.403  -8.152   3.557
  788    H    VAL 116           H        VAL 116  -8.649  -4.086   3.223
  789    HA   VAL 116           HA       VAL 116 -10.015  -3.793   5.815
  790    HB   VAL 116           HB       VAL 116  -8.597  -1.802   4.682
  791   1HG1  VAL 116          1HG1      VAL 116 -11.308  -0.929   3.844
  792   2HG1  VAL 116          2HG1      VAL 116  -9.722  -0.432   3.252
  793   3HG1  VAL 116          3HG1      VAL 116 -10.402  -1.983   2.757
  794   1HG2  VAL 116          1HG2      VAL 116 -10.851  -0.539   5.857
  795   2HG2  VAL 116          2HG2      VAL 116 -10.567  -2.059   6.706
  796   3HG2  VAL 116          3HG2      VAL 116  -9.274  -0.869   6.574
  797    H    HIS 117           H        HIS 117 -12.300  -2.817   5.462
  798    HA   HIS 117           HA       HIS 117 -13.836  -4.596   3.924
  799   1HB   HIS 117          1HB       HIS 117 -14.709  -3.423   5.909
  800   2HB   HIS 117          2HB       HIS 117 -14.625  -1.892   5.044
  801    HD1  HIS 117           HD1      HIS 117 -16.503  -5.185   4.977
  802    HD2  HIS 117           HD2      HIS 117 -16.822  -1.305   3.503
  803    HE1  HIS 117           HE1      HIS 117 -18.793  -5.031   3.947
  804    HE2  HIS 117           HE2      HIS 117 -18.868  -2.753   2.870
  805    H    ASP 118           H        ASP 118 -12.881  -4.478   1.819
  806    HA   ASP 118           HA       ASP 118 -13.433  -2.106   0.222
  807   1HB   ASP 118          1HB       ASP 118 -11.333  -3.395  -0.124
  808   2HB   ASP 118          2HB       ASP 118 -12.288  -4.794  -0.599
  809    H    ASP 119           H        ASP 119 -14.512  -2.594  -1.991
  810    HA   ASP 119           HA       ASP 119 -16.879  -4.269  -1.456
  811   1HB   ASP 119          1HB       ASP 119 -16.965  -1.608  -1.760
  812   2HB   ASP 119          2HB       ASP 119 -17.081  -2.084  -3.453
  813    H    LYS 120           H        LYS 120 -15.260  -2.808  -4.305
  814    HA   LYS 120           HA       LYS 120 -14.999  -5.401  -5.540
  815   1HB   LYS 120          1HB       LYS 120 -17.358  -3.908  -6.015
  816   2HB   LYS 120          2HB       LYS 120 -16.382  -3.791  -7.471
  817   1HG   LYS 120          1HG       LYS 120 -17.354  -6.303  -6.129
  818   2HG   LYS 120          2HG       LYS 120 -17.865  -5.653  -7.687
  819   1HD   LYS 120          1HD       LYS 120 -15.030  -6.492  -7.100
  820   2HD   LYS 120          2HD       LYS 120 -16.238  -7.584  -7.777
  821   1HE   LYS 120          1HE       LYS 120 -15.340  -4.980  -9.008
  822   2HE   LYS 120          2HE       LYS 120 -14.810  -6.584  -9.508
  823   1HZ   LYS 120          1HZ       LYS 120 -16.481  -6.201 -10.990
  824   2HZ   LYS 120          2HZ       LYS 120 -17.394  -5.263  -9.910
  825   3HZ   LYS 120          3HZ       LYS 120 -17.376  -6.953  -9.757
  826    H    GLU 121           H        GLU 121 -12.874  -5.097  -5.938
  827    HA   GLU 121           HA       GLU 121 -12.247  -3.447  -8.216
  828   1HB   GLU 121          1HB       GLU 121 -11.604  -2.517  -5.571
  829   2HB   GLU 121          2HB       GLU 121 -10.118  -2.871  -6.447
  830   1HG   GLU 121          1HG       GLU 121 -12.320  -1.163  -7.571
  831   2HG   GLU 121          2HG       GLU 121 -10.984  -0.514  -6.625
  832    H    ASP 122           H        ASP 122  -9.961  -3.811  -8.911
  833    HA   ASP 122           HA       ASP 122  -9.000  -6.479  -8.094
  834   1HB   ASP 122          1HB       ASP 122  -9.952  -6.851 -10.228
  835   2HB   ASP 122          2HB       ASP 122  -9.349  -5.325 -10.857
  836    H    SER 123           H        SER 123  -6.929  -6.548  -7.516
  837    HA   SER 123           HA       SER 123  -5.530  -4.133  -7.091
  838   1HB   SER 123          1HB       SER 123  -3.847  -6.463  -6.834
  839   2HB   SER 123          2HB       SER 123  -4.493  -5.413  -5.571
  840    HG   SER 123           HG       SER 123  -5.182  -7.649  -5.452
  841    H    ASP 124           H        ASP 124  -4.966  -3.095  -8.942
  842    HA   ASP 124           HA       ASP 124  -3.526  -4.450 -11.051
  843   1HB   ASP 124          1HB       ASP 124  -5.132  -2.312 -11.122
  844   2HB   ASP 124          2HB       ASP 124  -3.592  -1.477 -10.925
  845    H    VAL 125           H        VAL 125  -1.372  -3.889 -11.726
  846    HA   VAL 125           HA       VAL 125   0.303  -2.699  -9.645
  847    HB   VAL 125           HB       VAL 125   0.080  -5.309  -9.478
  848   1HG1  VAL 125          1HG1      VAL 125   1.387  -4.999 -12.026
  849   2HG1  VAL 125          2HG1      VAL 125   2.402  -5.907 -10.905
  850   3HG1  VAL 125          3HG1      VAL 125   0.762  -6.456 -11.255
  851   1HG2  VAL 125          1HG2      VAL 125   2.214  -5.419  -8.444
  852   2HG2  VAL 125          2HG2      VAL 125   2.836  -4.104  -9.439
  853   3HG2  VAL 125          3HG2      VAL 125   1.616  -3.777  -8.211
  854    H    LEU 126           H        LEU 126   2.466  -2.185 -10.371
  855    HA   LEU 126           HA       LEU 126   2.638  -1.835 -13.287
  856   1HB   LEU 126          1HB       LEU 126   3.103   0.004 -11.035
  857   2HB   LEU 126          2HB       LEU 126   4.350   0.029 -12.267
  858    HG   LEU 126           HG       LEU 126   1.515   0.238 -13.157
  859   1HD1  LEU 126          1HD1      LEU 126   3.038   2.589 -12.050
  860   2HD1  LEU 126          2HD1      LEU 126   1.417   2.596 -12.743
  861   3HD1  LEU 126          3HD1      LEU 126   1.718   1.775 -11.211
  862   1HD2  LEU 126          1HD2      LEU 126   2.686   0.481 -15.043
  863   2HD2  LEU 126          2HD2      LEU 126   3.081   2.095 -14.454
  864   3HD2  LEU 126          3HD2      LEU 126   4.194   0.757 -14.171
  865    H    THR 127           H        THR 127   4.505  -2.444 -14.294
  866    HA   THR 127           HA       THR 127   6.239  -4.240 -12.920
  867    HB   THR 127           HB       THR 127   7.329  -3.419 -15.441
  868    HG1  THR 127           HG1      THR 127   5.167  -4.234 -16.486
  869   1HG2  THR 127          1HG2      THR 127   6.576  -5.792 -14.034
  870   2HG2  THR 127          2HG2      THR 127   7.649  -5.628 -15.424
  871   3HG2  THR 127          3HG2      THR 127   5.920  -5.864 -15.670
  872    H    LYS 128           H        LYS 128   6.425  -0.903 -13.932
  873    HA   LYS 128           HA       LYS 128   8.703  -0.470 -12.208
  874   1HB   LYS 128          1HB       LYS 128   9.093  -0.811 -15.004
  875   2HB   LYS 128          2HB       LYS 128   9.297   0.900 -14.657
  876   1HG   LYS 128          1HG       LYS 128  11.268   0.570 -13.680
  877   2HG   LYS 128          2HG       LYS 128  10.660  -0.786 -12.728
  878   1HD   LYS 128          1HD       LYS 128  11.070  -1.252 -15.625
  879   2HD   LYS 128          2HD       LYS 128  12.516  -1.068 -14.627
  880   1HE   LYS 128          1HE       LYS 128  10.674  -2.779 -13.280
  881   2HE   LYS 128          2HE       LYS 128  10.876  -3.350 -14.938
  882   1HZ   LYS 128          1HZ       LYS 128  13.339  -2.607 -13.630
  883   2HZ   LYS 128          2HZ       LYS 128  12.967  -3.987 -14.543
  884   3HZ   LYS 128          3HZ       LYS 128  12.542  -3.916 -12.901
  885    H    CYS 129           H        CYS 129   9.035   1.826 -11.790
  886    HA   CYS 129           HA       CYS 129   6.612   3.372 -12.444
  887   1HB   CYS 129          1HB       CYS 129   7.692   2.619  -9.871
  888   2HB   CYS 129          2HB       CYS 129   7.612   4.373 -10.022
  889    HA   PRO 130           HA       PRO 130   9.456   6.507 -13.774
  890   1HB   PRO 130          1HB       PRO 130   7.316   8.388 -13.986
  891   2HB   PRO 130          2HB       PRO 130   8.045   7.430 -15.275
  892   1HG   PRO 130          1HG       PRO 130   5.456   7.131 -14.350
  893   2HG   PRO 130          2HG       PRO 130   6.367   5.900 -15.238
  894   1HD   PRO 130          1HD       PRO 130   5.874   6.146 -12.299
  895   2HD   PRO 130          2HD       PRO 130   5.943   4.689 -13.318
  896    H    VAL 131           H        VAL 131   7.916   6.442 -10.844
  897    HA   VAL 131           HA       VAL 131   9.246   8.913  -9.982
  898    HB   VAL 131           HB       VAL 131   6.910   8.345  -8.357
  899   1HG1  VAL 131          1HG1      VAL 131   8.438  10.431  -8.619
  900   2HG1  VAL 131          2HG1      VAL 131   7.322  10.848  -9.920
  901   3HG1  VAL 131          3HG1      VAL 131   6.721  10.629  -8.277
  902   1HG2  VAL 131          1HG2      VAL 131   6.219   9.322 -11.110
  903   2HG2  VAL 131          2HG2      VAL 131   6.108   7.617 -10.675
  904   3HG2  VAL 131          3HG2      VAL 131   5.137   8.812  -9.813
  Start of MODEL   13
    1   1H    ARG  14          1H        ARG  14  -6.113 -17.925  12.208
    2    HA   ARG  14           HA       ARG  14  -8.684 -18.676  10.987
    3   1HB   ARG  14          1HB       ARG  14  -7.996 -18.065  13.700
    4   2HB   ARG  14          2HB       ARG  14  -9.124 -16.853  13.111
    5   1HG   ARG  14          1HG       ARG  14  -9.949 -19.086  14.235
    6   2HG   ARG  14          2HG       ARG  14 -10.832 -18.339  12.903
    7   1HD   ARG  14          1HD       ARG  14 -10.724 -20.560  12.252
    8   2HD   ARG  14          2HD       ARG  14  -9.357 -19.845  11.399
    9    HE   ARG  14           HE       ARG  14  -7.897 -20.818  13.066
   10   1HH1  ARG  14          1HH1      ARG  14 -11.181 -21.990  12.979
   11   2HH1  ARG  14          2HH1      ARG  14 -10.828 -23.456  13.831
   12   1HH2  ARG  14          1HH2      ARG  14  -7.393 -22.741  14.166
   13   2HH2  ARG  14          2HH2      ARG  14  -8.648 -23.885  14.535
   14    H    ILE  15           H        ILE  15  -7.534 -17.472   9.184
   15    HA   ILE  15           HA       ILE  15  -8.465 -14.685   9.276
   16    HB   ILE  15           HB       ILE  15  -6.513 -14.563   7.376
   17   1HG1  ILE  15          1HG1      ILE  15  -5.109 -15.947   9.631
   18   2HG1  ILE  15          2HG1      ILE  15  -5.842 -16.919   8.360
   19   1HG2  ILE  15          1HG2      ILE  15  -5.233 -13.761   9.711
   20   2HG2  ILE  15          2HG2      ILE  15  -6.250 -12.771   8.663
   21   3HG2  ILE  15          3HG2      ILE  15  -6.953 -13.593  10.057
   22   1HD1  ILE  15          1HD1      ILE  15  -3.337 -16.139   8.236
   23   2HD1  ILE  15          2HD1      ILE  15  -4.341 -16.244   6.789
   24   3HD1  ILE  15          3HD1      ILE  15  -4.065 -14.683   7.562
   25    HA   PRO  16           HA       PRO  16 -11.056 -16.191   6.018
   26   1HB   PRO  16          1HB       PRO  16 -11.217 -13.315   5.296
   27   2HB   PRO  16          2HB       PRO  16 -12.513 -14.463   5.654
   28   1HG   PRO  16          1HG       PRO  16 -11.819 -12.584   7.419
   29   2HG   PRO  16          2HG       PRO  16 -12.273 -14.215   7.951
   30   1HD   PRO  16          1HD       PRO  16  -9.562 -12.980   7.718
   31   2HD   PRO  16          2HD       PRO  16 -10.198 -14.078   8.959
   32    H    ASN  17           H        ASN  17  -9.495 -13.249   4.777
   33    HA   ASN  17           HA       ASN  17  -7.836 -14.688   2.937
   34   1HB   ASN  17          1HB       ASN  17  -9.484 -14.941   1.382
   35   2HB   ASN  17          2HB       ASN  17 -10.484 -13.678   2.088
   36   1HD2  ASN  17          1HD2      ASN  17  -7.585 -14.197   0.122
   37   2HD2  ASN  17          2HD2      ASN  17  -7.757 -12.745  -0.818
   38    H    ILE  18           H        ILE  18  -6.160 -13.445   2.269
   39    HA   ILE  18           HA       ILE  18  -6.343 -10.542   2.571
   40    HB   ILE  18           HB       ILE  18  -3.768 -11.041   3.428
   41   1HG1  ILE  18          1HG1      ILE  18  -5.245 -12.635   5.403
   42   2HG1  ILE  18          2HG1      ILE  18  -5.035 -13.445   3.855
   43   1HG2  ILE  18          1HG2      ILE  18  -5.337  -9.309   4.205
   44   2HG2  ILE  18          2HG2      ILE  18  -6.170 -10.528   5.169
   45   3HG2  ILE  18          3HG2      ILE  18  -4.495 -10.114   5.530
   46   1HD1  ILE  18          1HD1      ILE  18  -2.951 -12.508   5.783
   47   2HD1  ILE  18          2HD1      ILE  18  -3.189 -14.113   5.089
   48   3HD1  ILE  18          3HD1      ILE  18  -2.562 -12.803   4.088
   49    H    ALA  19           H        ALA  19  -5.490  -9.531   0.870
   50    HA   ALA  19           HA       ALA  19  -4.044 -11.057  -1.116
   51   1HB   ALA  19          1HB       ALA  19  -5.631  -8.669  -1.105
   52   2HB   ALA  19          2HB       ALA  19  -4.066  -8.338  -1.845
   53   3HB   ALA  19          3HB       ALA  19  -5.084  -9.633  -2.477
   54    H    THR  20           H        THR  20  -2.146 -11.530  -0.002
   55    HA   THR  20           HA       THR  20  -0.540  -9.388   1.063
   56    HB   THR  20           HB       THR  20  -0.515 -11.439   2.292
   57    HG1  THR  20           HG1      THR  20   1.443 -10.556   2.492
   58   1HG2  THR  20          1HG2      THR  20   0.852 -13.354   0.909
   59   2HG2  THR  20          2HG2      THR  20  -0.173 -12.665  -0.350
   60   3HG2  THR  20          3HG2      THR  20  -0.899 -13.318   1.119
   61    H    TYR  21           H        TYR  21   0.594  -8.136  -0.217
   62    HA   TYR  21           HA       TYR  21   1.504  -9.075  -2.805
   63   1HB   TYR  21          1HB       TYR  21   1.895  -6.405  -1.438
   64   2HB   TYR  21          2HB       TYR  21   2.332  -6.772  -3.102
   65    HD1  TYR  21           HD1      TYR  21  -0.009  -8.283  -4.040
   66    HD2  TYR  21           HD2      TYR  21   0.217  -4.826  -1.574
   67    HE1  TYR  21           HE1      TYR  21  -2.261  -7.620  -4.774
   68    HE2  TYR  21           HE2      TYR  21  -2.028  -4.160  -2.297
   69    HH   TYR  21           HH       TYR  21  -4.099  -6.235  -4.079
   70    H    THR  22           H        THR  22   2.955 -10.689  -2.084
   71    HA   THR  22           HA       THR  22   5.323  -9.871  -0.641
   72    HB   THR  22           HB       THR  22   4.587 -12.074  -0.132
   73    HG1  THR  22           HG1      THR  22   6.792 -12.276  -1.927
   74   1HG2  THR  22          1HG2      THR  22   3.878 -13.688  -1.600
   75   2HG2  THR  22          2HG2      THR  22   4.888 -13.094  -2.917
   76   3HG2  THR  22          3HG2      THR  22   3.408 -12.237  -2.485
   77    H    GLY  23           H        GLY  23   5.655  -8.179  -2.345
   78   1HA   GLY  23          1HA       GLY  23   6.791  -9.209  -4.849
   79   2HA   GLY  23          2HA       GLY  23   6.307  -7.548  -4.544
   80    H    THR  24           H        THR  24   8.660  -7.819  -5.703
   81    HA   THR  24           HA       THR  24  10.630  -7.559  -3.520
   82    HB   THR  24           HB       THR  24  11.773  -7.805  -6.189
   83    HG1  THR  24           HG1      THR  24   9.912  -9.734  -5.275
   84   1HG2  THR  24          1HG2      THR  24  13.230  -8.117  -4.385
   85   2HG2  THR  24          2HG2      THR  24  12.919  -9.758  -4.953
   86   3HG2  THR  24          3HG2      THR  24  12.090  -9.147  -3.522
   87    H    ILE  25           H        ILE  25  11.481  -5.613  -3.180
   88    HA   ILE  25           HA       ILE  25  10.989  -3.515  -5.172
   89    HB   ILE  25           HB       ILE  25  10.167  -3.064  -2.901
   90   1HG1  ILE  25          1HG1      ILE  25  12.059  -1.008  -2.677
   91   2HG1  ILE  25          2HG1      ILE  25  12.000  -1.397  -4.393
   92   1HG2  ILE  25          1HG2      ILE  25  11.843  -4.371  -1.666
   93   2HG2  ILE  25          2HG2      ILE  25  13.057  -3.151  -2.046
   94   3HG2  ILE  25          3HG2      ILE  25  11.673  -2.735  -1.032
   95   1HD1  ILE  25          1HD1      ILE  25  10.442   0.403  -3.635
   96   2HD1  ILE  25          2HD1      ILE  25   9.683  -0.931  -4.503
   97   3HD1  ILE  25          3HD1      ILE  25   9.555  -0.836  -2.746
   98    H    GLN  26           H        GLN  26  12.630  -2.326  -6.064
   99    HA   GLN  26           HA       GLN  26  15.143  -3.586  -6.333
  100   1HB   GLN  26          1HB       GLN  26  14.573  -0.705  -7.009
  101   2HB   GLN  26          2HB       GLN  26  15.736  -1.783  -7.764
  102   1HG   GLN  26          1HG       GLN  26  14.175  -1.976  -9.351
  103   2HG   GLN  26          2HG       GLN  26  13.439  -3.124  -8.236
  104   1HE2  GLN  26          1HE2      GLN  26  13.207  -0.033  -9.725
  105   2HE2  GLN  26          2HE2      GLN  26  11.649   0.391  -9.095
  106    H    GLY  27           H        GLY  27  17.209  -2.908  -5.674
  107   1HA   GLY  27          1HA       GLY  27  17.431  -1.930  -3.034
  108   2HA   GLY  27          2HA       GLY  27  18.760  -2.113  -4.173
  109    H    LYS  28           H        LYS  28  17.310   0.060  -2.278
  110    HA   LYS  28           HA       LYS  28  17.224   2.322  -2.137
  111   1HB   LYS  28          1HB       LYS  28  19.209   2.022  -4.381
  112   2HB   LYS  28          2HB       LYS  28  18.671   3.608  -3.845
  113   1HG   LYS  28          1HG       LYS  28  19.808   3.492  -1.891
  114   2HG   LYS  28          2HG       LYS  28  19.635   1.740  -1.765
  115   1HD   LYS  28          1HD       LYS  28  21.785   1.653  -2.388
  116   2HD   LYS  28          2HD       LYS  28  21.189   2.023  -4.009
  117   1HE   LYS  28          1HE       LYS  28  22.020   4.092  -1.975
  118   2HE   LYS  28          2HE       LYS  28  23.062   3.481  -3.260
  119   1HZ   LYS  28          1HZ       LYS  28  21.178   4.222  -4.804
  120   2HZ   LYS  28          2HZ       LYS  28  22.177   5.418  -4.137
  121   3HZ   LYS  28          3HZ       LYS  28  20.634   5.146  -3.490
  122    H    GLY  29           H        GLY  29  15.182   0.964  -3.553
  123   1HA   GLY  29          1HA       GLY  29  14.502   2.902  -5.675
  124   2HA   GLY  29          2HA       GLY  29  13.939   1.237  -5.641
  125    H    GLU  30           H        GLU  30  12.380   3.684  -5.830
  126    HA   GLU  30           HA       GLU  30  10.613   3.204  -3.547
  127   1HB   GLU  30          1HB       GLU  30  10.236   5.845  -3.746
  128   2HB   GLU  30          2HB       GLU  30  11.399   5.133  -2.639
  129   1HG   GLU  30          1HG       GLU  30  13.123   6.076  -3.682
  130   2HG   GLU  30          2HG       GLU  30  12.519   5.618  -5.274
  131    H    VAL  31           H        VAL  31   8.696   2.675  -4.333
  132    HA   VAL  31           HA       VAL  31   7.829   3.910  -6.872
  133    HB   VAL  31           HB       VAL  31   7.087   1.905  -7.761
  134   1HG1  VAL  31          1HG1      VAL  31   8.989   0.297  -6.258
  135   2HG1  VAL  31          2HG1      VAL  31   8.986   0.748  -7.965
  136   3HG1  VAL  31          3HG1      VAL  31   9.661   1.848  -6.763
  137   1HG2  VAL  31          1HG2      VAL  31   6.477   1.234  -4.985
  138   2HG2  VAL  31          2HG2      VAL  31   5.637   0.785  -6.469
  139   3HG2  VAL  31          3HG2      VAL  31   7.040  -0.143  -5.930
  140    H    CYS  32           H        CYS  32   5.464   3.790  -7.218
  141    HA   CYS  32           HA       CYS  32   4.030   4.136  -4.683
  142   1HB   CYS  32          1HB       CYS  32   3.066   5.918  -6.737
  143   2HB   CYS  32          2HB       CYS  32   3.647   6.298  -5.118
  144    H    ILE  33           H        ILE  33   2.358   2.796  -4.598
  145    HA   ILE  33           HA       ILE  33   1.031   1.946  -7.057
  146    HB   ILE  33           HB       ILE  33  -0.066   1.036  -4.462
  147   1HG1  ILE  33          1HG1      ILE  33   2.682   0.216  -5.438
  148   2HG1  ILE  33          2HG1      ILE  33   2.285   0.942  -3.885
  149   1HG2  ILE  33          1HG2      ILE  33  -0.541   0.345  -6.979
  150   2HG2  ILE  33          2HG2      ILE  33   0.784  -0.773  -6.660
  151   3HG2  ILE  33          3HG2      ILE  33  -0.667  -0.812  -5.656
  152   1HD1  ILE  33          1HD1      ILE  33   1.124  -1.051  -3.201
  153   2HD1  ILE  33          2HD1      ILE  33   1.371  -1.776  -4.790
  154   3HD1  ILE  33          3HD1      ILE  33   2.752  -1.463  -3.739
  155    H    ILE  34           H        ILE  34  -1.584   1.652  -6.276
  156    HA   ILE  34           HA       ILE  34  -2.451   4.301  -6.835
  157    HB   ILE  34           HB       ILE  34  -4.679   2.647  -6.145
  158   1HG1  ILE  34          1HG1      ILE  34  -3.119   1.303  -8.298
  159   2HG1  ILE  34          2HG1      ILE  34  -2.665   0.951  -6.635
  160   1HG2  ILE  34          1HG2      ILE  34  -3.590   4.098  -8.465
  161   2HG2  ILE  34          2HG2      ILE  34  -4.710   2.787  -8.832
  162   3HG2  ILE  34          3HG2      ILE  34  -5.213   4.106  -7.777
  163   1HD1  ILE  34          1HD1      ILE  34  -4.402  -0.398  -6.366
  164   2HD1  ILE  34          2HD1      ILE  34  -5.526   0.796  -7.017
  165   3HD1  ILE  34          3HD1      ILE  34  -4.650  -0.278  -8.108
  166    H    GLY  35           H        GLY  35  -5.040   4.060  -5.479
  167   1HA   GLY  35          1HA       GLY  35  -4.343   5.837  -3.358
  168   2HA   GLY  35          2HA       GLY  35  -5.966   5.364  -3.830
  169    H    ASN  36           H        ASN  36  -6.267   5.443  -1.451
  170    HA   ASN  36           HA       ASN  36  -5.538   2.875  -0.212
  171   1HB   ASN  36          1HB       ASN  36  -5.446   5.607   1.088
  172   2HB   ASN  36          2HB       ASN  36  -5.254   4.084   1.952
  173   1HD2  ASN  36          1HD2      ASN  36  -3.851   6.135  -0.533
  174   2HD2  ASN  36          2HD2      ASN  36  -2.242   5.532  -0.374
  175    H    LYS  37           H        LYS  37  -7.243   1.808   0.775
  176    HA   LYS  37           HA       LYS  37  -9.298   2.981   2.235
  177   1HB   LYS  37          1HB       LYS  37  -9.823   3.690  -0.272
  178   2HB   LYS  37          2HB       LYS  37 -10.522   2.078  -0.338
  179   1HG   LYS  37          1HG       LYS  37 -11.959   2.646   1.580
  180   2HG   LYS  37          2HG       LYS  37 -11.286   4.278   1.574
  181   1HD   LYS  37          1HD       LYS  37 -12.676   4.909  -0.041
  182   2HD   LYS  37          2HD       LYS  37 -12.196   3.548  -1.057
  183   1HE   LYS  37          1HE       LYS  37 -13.934   2.836   1.193
  184   2HE   LYS  37          2HE       LYS  37 -14.679   3.909   0.011
  185   1HZ   LYS  37          1HZ       LYS  37 -13.266   1.813  -1.282
  186   2HZ   LYS  37          2HZ       LYS  37 -14.907   2.230  -1.398
  187   3HZ   LYS  37          3HZ       LYS  37 -14.383   1.175  -0.174
  188    H    GLU  38           H        GLU  38 -11.190   1.447   2.584
  189    HA   GLU  38           HA       GLU  38 -12.241  -0.531   2.768
  190   1HB   GLU  38          1HB       GLU  38 -10.381  -1.176   0.533
  191   2HB   GLU  38          2HB       GLU  38 -11.251  -2.489   1.321
  192   1HG   GLU  38          1HG       GLU  38 -12.314  -0.204  -0.277
  193   2HG   GLU  38          2HG       GLU  38 -12.646  -1.928  -0.427
  194    H    GLY  39           H        GLY  39 -11.872  -2.921   3.337
  195   1HA   GLY  39          1HA       GLY  39 -11.087  -4.406   4.896
  196   2HA   GLY  39          2HA       GLY  39  -9.491  -3.710   4.637
  197    H    LYS  40           H        LYS  40 -12.565  -2.640   6.051
  198    HA   LYS  40           HA       LYS  40 -11.101  -1.086   8.018
  199   1HB   LYS  40          1HB       LYS  40 -14.056  -1.179   8.118
  200   2HB   LYS  40          2HB       LYS  40 -12.967   0.196   8.232
  201   1HG   LYS  40          1HG       LYS  40 -13.556   0.730   6.168
  202   2HG   LYS  40          2HG       LYS  40 -12.706  -0.714   5.613
  203   1HD   LYS  40          1HD       LYS  40 -14.615  -1.822   5.200
  204   2HD   LYS  40          2HD       LYS  40 -15.394  -1.218   6.665
  205   1HE   LYS  40          1HE       LYS  40 -16.584  -0.372   4.764
  206   2HE   LYS  40          2HE       LYS  40 -15.718   0.962   5.526
  207   1HZ   LYS  40          1HZ       LYS  40 -15.617   0.792   3.017
  208   2HZ   LYS  40          2HZ       LYS  40 -14.580  -0.530   3.234
  209   3HZ   LYS  40          3HZ       LYS  40 -14.135   1.005   3.820
  210    H    THR  41           H        THR  41 -10.258  -2.667   9.380
  211    HA   THR  41           HA       THR  41 -11.997  -4.462  10.812
  212    HB   THR  41           HB       THR  41  -9.400  -3.901  12.036
  213    HG1  THR  41           HG1      THR  41  -9.414  -4.959   9.391
  214   1HG2  THR  41          1HG2      THR  41 -10.977  -5.926  12.283
  215   2HG2  THR  41          2HG2      THR  41  -9.244  -6.232  12.150
  216   3HG2  THR  41          3HG2      THR  41 -10.290  -6.461  10.749
  217    H    ARG  42           H        ARG  42 -11.460  -1.207  10.933
  218    HA   ARG  42           HA       ARG  42 -12.748  -0.853  13.460
  219   1HB   ARG  42          1HB       ARG  42 -11.003   0.238  14.661
  220   2HB   ARG  42          2HB       ARG  42 -10.306  -1.262  14.067
  221   1HG   ARG  42          1HG       ARG  42  -9.979   1.060  12.296
  222   2HG   ARG  42          2HG       ARG  42  -9.133   1.160  13.840
  223   1HD   ARG  42          1HD       ARG  42  -7.983  -0.908  13.406
  224   2HD   ARG  42          2HD       ARG  42  -8.938  -1.182  11.950
  225    HE   ARG  42           HE       ARG  42  -7.825   0.969  11.142
  226   1HH1  ARG  42          1HH1      ARG  42  -6.312  -1.342  13.293
  227   2HH1  ARG  42          2HH1      ARG  42  -4.692  -0.899  12.846
  228   1HH2  ARG  42          1HH2      ARG  42  -5.698   1.561  10.540
  229   2HH2  ARG  42          2HH2      ARG  42  -4.341   0.777  11.282
  230    H    GLY  43           H        GLY  43 -12.730   1.655  13.957
  231   1HA   GLY  43          1HA       GLY  43 -13.644   3.098  11.717
  232   2HA   GLY  43          2HA       GLY  43 -13.169   3.803  13.259
  233    H    GLY  44           H        GLY  44 -12.318   3.277  10.010
  234   1HA   GLY  44          1HA       GLY  44 -10.514   4.721   9.100
  235   2HA   GLY  44          2HA       GLY  44  -9.561   4.219  10.496
  236    H    GLU  45           H        GLU  45 -10.562   3.444   7.321
  237    HA   GLU  45           HA       GLU  45 -10.364   0.626   7.519
  238   1HB   GLU  45          1HB       GLU  45 -10.073   1.168   4.835
  239   2HB   GLU  45          2HB       GLU  45 -11.582   0.857   5.675
  240   1HG   GLU  45          1HG       GLU  45 -11.304   3.496   6.150
  241   2HG   GLU  45          2HG       GLU  45 -10.505   3.361   4.584
  242    H    LEU  46           H        LEU  46  -7.949   2.923   7.390
  243    HA   LEU  46           HA       LEU  46  -6.256   1.517   5.551
  244   1HB   LEU  46          1HB       LEU  46  -6.137   4.059   7.003
  245   2HB   LEU  46          2HB       LEU  46  -4.586   3.282   6.700
  246    HG   LEU  46           HG       LEU  46  -4.761   3.501   4.405
  247   1HD1  LEU  46          1HD1      LEU  46  -7.223   2.528   4.567
  248   2HD1  LEU  46          2HD1      LEU  46  -7.636   4.224   4.311
  249   3HD1  LEU  46          3HD1      LEU  46  -6.641   3.370   3.130
  250   1HD2  LEU  46          1HD2      LEU  46  -6.502   5.821   4.880
  251   2HD2  LEU  46          2HD2      LEU  46  -5.035   5.718   5.854
  252   3HD2  LEU  46          3HD2      LEU  46  -4.924   5.714   4.093
  253    H    TYR  47           H        TYR  47  -6.507  -0.488   6.837
  254    HA   TYR  47           HA       TYR  47  -3.917  -0.720   8.180
  255   1HB   TYR  47          1HB       TYR  47  -4.913  -1.816   9.892
  256   2HB   TYR  47          2HB       TYR  47  -6.475  -1.714   9.080
  257    HD1  TYR  47           HD1      TYR  47  -3.421  -3.751   9.434
  258    HD2  TYR  47           HD2      TYR  47  -7.401  -3.590   7.950
  259    HE1  TYR  47           HE1      TYR  47  -3.306  -6.133   8.910
  260    HE2  TYR  47           HE2      TYR  47  -7.307  -5.987   7.436
  261    HH   TYR  47           HH       TYR  47  -6.140  -7.887   7.677
  262    H    ALA  48           H        ALA  48  -2.469  -1.647   6.999
  263    HA   ALA  48           HA       ALA  48  -2.987  -4.164   5.669
  264   1HB   ALA  48          1HB       ALA  48  -3.408  -2.852   3.752
  265   2HB   ALA  48          2HB       ALA  48  -2.138  -1.687   4.159
  266   3HB   ALA  48          3HB       ALA  48  -1.712  -3.313   3.604
  267    H    VAL  49           H        VAL  49  -1.414  -5.346   6.629
  268    HA   VAL  49           HA       VAL  49   0.731  -3.856   7.853
  269    HB   VAL  49           HB       VAL  49  -0.271  -5.466   9.279
  270   1HG1  VAL  49          1HG1      VAL  49   0.435  -7.658   7.340
  271   2HG1  VAL  49          2HG1      VAL  49  -0.499  -7.794   8.830
  272   3HG1  VAL  49          3HG1      VAL  49  -1.161  -6.916   7.450
  273   1HG2  VAL  49          1HG2      VAL  49   1.810  -5.610  10.079
  274   2HG2  VAL  49          2HG2      VAL  49   1.852  -7.196   9.306
  275   3HG2  VAL  49          3HG2      VAL  49   2.514  -5.793   8.472
  276    H    LEU  50           H        LEU  50   2.384  -3.321   6.706
  277    HA   LEU  50           HA       LEU  50   3.455  -5.017   4.644
  278   1HB   LEU  50          1HB       LEU  50   3.608  -2.581   4.419
  279   2HB   LEU  50          2HB       LEU  50   4.561  -2.492   5.891
  280    HG   LEU  50           HG       LEU  50   6.212  -4.044   4.656
  281   1HD1  LEU  50          1HD1      LEU  50   4.774  -4.626   2.790
  282   2HD1  LEU  50          2HD1      LEU  50   4.675  -2.930   2.318
  283   3HD1  LEU  50          3HD1      LEU  50   6.214  -3.783   2.219
  284   1HD2  LEU  50          1HD2      LEU  50   6.429  -1.545   5.201
  285   2HD2  LEU  50          2HD2      LEU  50   7.472  -2.211   3.940
  286   3HD2  LEU  50          3HD2      LEU  50   6.037  -1.284   3.501
  287    H    HIS  51           H        HIS  51   4.967  -6.499   4.871
  288    HA   HIS  51           HA       HIS  51   6.377  -6.688   7.448
  289   1HB   HIS  51          1HB       HIS  51   5.340  -8.771   5.554
  290   2HB   HIS  51          2HB       HIS  51   6.694  -9.148   6.614
  291    HD1  HIS  51           HD1      HIS  51   6.132  -8.568   9.276
  292    HD2  HIS  51           HD2      HIS  51   2.946  -9.277   6.702
  293    HE1  HIS  51           HE1      HIS  51   4.170  -9.073  10.756
  294    HE2  HIS  51           HE2      HIS  51   2.337  -9.766   9.168
  295    H    SER  52           H        SER  52   8.557  -7.754   7.267
  296    HA   SER  52           HA       SER  52   9.937  -6.596   4.934
  297   1HB   SER  52          1HB       SER  52  11.781  -6.719   7.014
  298   2HB   SER  52          2HB       SER  52  10.932  -5.275   6.460
  299    HG   SER  52           HG       SER  52   9.300  -5.720   8.001
  300    H    THR  53           H        THR  53  10.899  -8.083   3.692
  301    HA   THR  53           HA       THR  53  11.911 -10.529   4.985
  302    HB   THR  53           HB       THR  53  11.427 -10.359   2.035
  303    HG1  THR  53           HG1      THR  53   9.502 -10.492   4.082
  304   1HG2  THR  53          1HG2      THR  53  12.593 -12.291   3.211
  305   2HG2  THR  53          2HG2      THR  53  11.235 -12.707   2.167
  306   3HG2  THR  53          3HG2      THR  53  11.024 -12.675   3.918
  307    H    ASN  54           H        ASN  54  13.710  -8.845   5.428
  308    HA   ASN  54           HA       ASN  54  15.945  -9.650   3.898
  309   1HB   ASN  54          1HB       ASN  54  14.740  -7.658   2.579
  310   2HB   ASN  54          2HB       ASN  54  15.658  -6.687   3.727
  311   1HD2  ASN  54          1HD2      ASN  54  15.837  -8.945   1.091
  312   2HD2  ASN  54          2HD2      ASN  54  17.501  -8.677   0.723
  313    H    VAL  55           H        VAL  55  17.935  -8.967   4.875
  314    HA   VAL  55           HA       VAL  55  17.891  -8.618   7.647
  315    HB   VAL  55           HB       VAL  55  20.321  -7.553   7.013
  316   1HG1  VAL  55          1HG1      VAL  55  19.350  -9.840   8.153
  317   2HG1  VAL  55          2HG1      VAL  55  20.291 -10.465   6.798
  318   3HG1  VAL  55          3HG1      VAL  55  21.055  -9.421   7.994
  319   1HG2  VAL  55          1HG2      VAL  55  19.439  -9.256   4.693
  320   2HG2  VAL  55          2HG2      VAL  55  20.143  -7.639   4.663
  321   3HG2  VAL  55          3HG2      VAL  55  21.137  -9.024   5.106
  322    H    ASN  56           H        ASN  56  19.077  -6.188   5.321
  323    HA   ASN  56           HA       ASN  56  18.144  -4.091   7.125
  324   1HB   ASN  56          1HB       ASN  56  20.251  -4.263   5.123
  325   2HB   ASN  56          2HB       ASN  56  19.224  -2.853   4.861
  326   1HD2  ASN  56          1HD2      ASN  56  18.661  -1.752   7.085
  327   2HD2  ASN  56          2HD2      ASN  56  20.039  -1.424   8.075
  328    H    ALA  57           H        ALA  57  15.950  -5.010   6.549
  329    HA   ALA  57           HA       ALA  57  14.872  -4.342   3.970
  330   1HB   ALA  57          1HB       ALA  57  13.012  -5.442   4.641
  331   2HB   ALA  57          2HB       ALA  57  14.101  -6.077   5.873
  332   3HB   ALA  57          3HB       ALA  57  13.033  -4.724   6.252
  333    H    ASP  58           H        ASP  58  15.812  -2.163   4.181
  334    HA   ASP  58           HA       ASP  58  14.688  -0.334   6.100
  335   1HB   ASP  58          1HB       ASP  58  16.964  -0.427   4.333
  336   2HB   ASP  58          2HB       ASP  58  16.106   1.097   4.128
  337    H    MET  59           H        MET  59  12.489  -1.066   4.974
  338    HA   MET  59           HA       MET  59  11.961   0.775   2.741
  339   1HB   MET  59          1HB       MET  59  10.324  -1.595   3.672
  340   2HB   MET  59          2HB       MET  59   9.986  -0.597   2.266
  341   1HG   MET  59          1HG       MET  59  11.957  -1.382   1.160
  342   2HG   MET  59          2HG       MET  59  12.469  -2.255   2.605
  343   1HE   MET  59          1HE       MET  59  11.478  -5.537   2.082
  344   2HE   MET  59          2HE       MET  59  12.206  -4.277   3.080
  345   3HE   MET  59          3HE       MET  59  10.546  -4.793   3.381
  346    H    THR  60           H        THR  60  10.895   2.560   3.190
  347    HA   THR  60           HA       THR  60   9.247   2.668   5.615
  348    HB   THR  60           HB       THR  60   9.555   5.143   4.057
  349    HG1  THR  60           HG1      THR  60  11.862   4.124   5.402
  350   1HG2  THR  60          1HG2      THR  60  10.379   4.703   6.905
  351   2HG2  THR  60          2HG2      THR  60   8.673   4.735   6.460
  352   3HG2  THR  60          3HG2      THR  60   9.692   6.141   6.151
  353    H    LEU  61           H        LEU  61   7.156   2.210   5.292
  354    HA   LEU  61           HA       LEU  61   5.985   2.569   2.666
  355   1HB   LEU  61          1HB       LEU  61   5.436   0.622   4.147
  356   2HB   LEU  61          2HB       LEU  61   4.669   1.740   5.259
  357    HG   LEU  61           HG       LEU  61   3.127   2.382   3.338
  358   1HD1  LEU  61          1HD1      LEU  61   3.078   0.053   1.880
  359   2HD1  LEU  61          2HD1      LEU  61   3.715   1.604   1.334
  360   3HD1  LEU  61          3HD1      LEU  61   4.802   0.398   2.025
  361   1HD2  LEU  61          1HD2      LEU  61   2.403  -0.365   3.692
  362   2HD2  LEU  61          2HD2      LEU  61   3.047   0.284   5.200
  363   3HD2  LEU  61          3HD2      LEU  61   1.688   1.080   4.407
  364    H    ILE  62           H        ILE  62   5.702   4.672   2.183
  365    HA   ILE  62           HA       ILE  62   4.656   6.412   4.296
  366    HB   ILE  62           HB       ILE  62   6.513   7.522   3.543
  367   1HG1  ILE  62          1HG1      ILE  62   4.495   8.543   1.537
  368   2HG1  ILE  62          2HG1      ILE  62   4.462   8.941   3.253
  369   1HG2  ILE  62          1HG2      ILE  62   6.569   7.606   0.759
  370   2HG2  ILE  62          2HG2      ILE  62   7.620   6.681   1.831
  371   3HG2  ILE  62          3HG2      ILE  62   6.161   5.940   1.174
  372   1HD1  ILE  62          1HD1      ILE  62   7.069   9.479   2.309
  373   2HD1  ILE  62          2HD1      ILE  62   5.925  10.182   1.164
  374   3HD1  ILE  62          3HD1      ILE  62   5.845  10.617   2.871
  375    H    LEU  63           H        LEU  63   2.683   6.552   4.412
  376    HA   LEU  63           HA       LEU  63   0.914   6.283   2.169
  377   1HB   LEU  63          1HB       LEU  63   0.220   5.411   4.302
  378   2HB   LEU  63          2HB       LEU  63   0.487   6.959   5.075
  379    HG   LEU  63           HG       LEU  63  -1.407   7.899   4.144
  380   1HD1  LEU  63          1HD1      LEU  63  -1.988   7.553   2.036
  381   2HD1  LEU  63          2HD1      LEU  63  -0.883   6.181   1.943
  382   3HD1  LEU  63          3HD1      LEU  63  -2.551   5.935   2.466
  383   1HD2  LEU  63          1HD2      LEU  63  -1.686   5.938   5.814
  384   2HD2  LEU  63          2HD2      LEU  63  -3.107   6.619   5.023
  385   3HD2  LEU  63          3HD2      LEU  63  -2.413   5.106   4.435
  386    H    LEU  64           H        LEU  64   0.797   7.852   0.789
  387    HA   LEU  64           HA       LEU  64   0.837  10.585   1.795
  388   1HB   LEU  64          1HB       LEU  64   2.784  11.099   0.856
  389   2HB   LEU  64          2HB       LEU  64   3.040   9.369   0.842
  390    HG   LEU  64           HG       LEU  64   1.847   9.670  -1.538
  391   1HD1  LEU  64          1HD1      LEU  64   1.703  11.910  -1.883
  392   2HD1  LEU  64          2HD1      LEU  64   2.995  12.274  -0.741
  393   3HD1  LEU  64          3HD1      LEU  64   3.390  11.695  -2.357
  394   1HD2  LEU  64          1HD2      LEU  64   4.776  10.116  -1.069
  395   2HD2  LEU  64          2HD2      LEU  64   3.990   8.579  -0.706
  396   3HD2  LEU  64          3HD2      LEU  64   3.997   9.199  -2.357
  397    H    ARG  65           H        ARG  65  -0.069  12.162   0.425
  398    HA   ARG  65           HA       ARG  65  -1.219  11.341  -2.091
  399   1HB   ARG  65          1HB       ARG  65  -3.180  10.753  -1.146
  400   2HB   ARG  65          2HB       ARG  65  -2.774  11.515   0.380
  401   1HG   ARG  65          1HG       ARG  65  -3.359  13.552  -1.528
  402   2HG   ARG  65          2HG       ARG  65  -4.648  12.347  -1.552
  403   1HD   ARG  65          1HD       ARG  65  -3.888  14.260   0.546
  404   2HD   ARG  65          2HD       ARG  65  -5.457  13.549   0.176
  405    HE   ARG  65           HE       ARG  65  -4.010  11.500   1.253
  406   1HH1  ARG  65          1HH1      ARG  65  -4.853  14.721   2.313
  407   2HH1  ARG  65          2HH1      ARG  65  -4.906  14.296   3.993
  408   1HH2  ARG  65          1HH2      ARG  65  -4.068  10.925   3.459
  409   2HH2  ARG  65          2HH2      ARG  65  -4.467  12.117   4.652
  410    H    ASN  66           H        ASN  66  -0.271  12.880  -3.247
  411    HA   ASN  66           HA       ASN  66  -1.215  15.604  -2.771
  412   1HB   ASN  66          1HB       ASN  66   0.891  16.599  -3.455
  413   2HB   ASN  66          2HB       ASN  66   1.158  15.558  -2.063
  414   1HD2  ASN  66          1HD2      ASN  66   1.527  15.780  -5.569
  415   2HD2  ASN  66          2HD2      ASN  66   2.818  14.642  -5.673
  416    H    VAL  67           H        VAL  67  -1.019  16.922  -4.832
  417    HA   VAL  67           HA       VAL  67  -0.564  15.589  -7.291
  418    HB   VAL  67           HB       VAL  67  -2.822  14.662  -6.545
  419   1HG1  VAL  67          1HG1      VAL  67  -4.706  16.247  -7.381
  420   2HG1  VAL  67          2HG1      VAL  67  -4.056  16.445  -5.753
  421   3HG1  VAL  67          3HG1      VAL  67  -3.533  17.521  -7.050
  422   1HG2  VAL  67          1HG2      VAL  67  -3.772  15.000  -8.906
  423   2HG2  VAL  67          2HG2      VAL  67  -2.309  15.936  -9.212
  424   3HG2  VAL  67          3HG2      VAL  67  -2.190  14.238  -8.747
  425    H    GLY  68           H        GLY  68  -1.699  18.305  -5.458
  426   1HA   GLY  68          1HA       GLY  68  -1.680  20.145  -7.674
  427   2HA   GLY  68          2HA       GLY  68  -1.753  20.564  -5.965
  428    H    GLY  69           H        GLY  69   0.665  18.608  -5.807
  429   1HA   GLY  69          1HA       GLY  69   2.685  20.583  -6.621
  430   2HA   GLY  69          2HA       GLY  69   2.809  19.634  -5.150
  431    H    ASN  70           H        ASN  70   4.616  19.858  -7.452
  432    HA   ASN  70           HA       ASN  70   4.486  17.310  -8.800
  433   1HB   ASN  70          1HB       ASN  70   5.475  18.895 -10.174
  434   2HB   ASN  70          2HB       ASN  70   6.325  19.671  -8.842
  435   1HD2  ASN  70          1HD2      ASN  70   8.416  19.339  -8.741
  436   2HD2  ASN  70          2HD2      ASN  70   9.278  18.011  -9.459
  437    H    GLY  71           H        GLY  71   5.389  15.458  -8.150
  438   1HA   GLY  71          1HA       GLY  71   6.997  14.104  -7.090
  439   2HA   GLY  71          2HA       GLY  71   7.549  15.507  -6.186
  440    H    TRP  72           H        TRP  72   6.741  12.775  -5.324
  441    HA   TRP  72           HA       TRP  72   4.248  13.176  -3.903
  442   1HB   TRP  72          1HB       TRP  72   6.199  10.861  -3.898
  443   2HB   TRP  72          2HB       TRP  72   4.656  10.880  -3.062
  444    HD1  TRP  72           HD1      TRP  72   6.132   9.651  -6.139
  445    HE1  TRP  72           HE1      TRP  72   4.350   9.169  -7.919
  446    HE3  TRP  72           HE3      TRP  72   2.100  12.069  -4.041
  447    HZ2  TRP  72           HZ2      TRP  72   1.630   9.681  -8.380
  448    HZ3  TRP  72           HZ3      TRP  72  -0.053  11.982  -5.216
  449    HH2  TRP  72           HH2      TRP  72  -0.281  10.817  -7.340
  450    H    GLY  73           H        GLY  73   4.156  14.164  -1.968
  451   1HA   GLY  73          1HA       GLY  73   6.287  13.693  -0.026
  452   2HA   GLY  73          2HA       GLY  73   6.080  15.350  -0.557
  453    H    GLU  74           H        GLU  74   4.065  12.663   0.669
  454    HA   GLU  74           HA       GLU  74   2.666  14.597   2.378
  455   1HB   GLU  74          1HB       GLU  74   1.521  12.723   0.869
  456   2HB   GLU  74          2HB       GLU  74   1.803  11.758   2.311
  457   1HG   GLU  74          1HG       GLU  74   0.648  14.295   3.013
  458   2HG   GLU  74          2HG       GLU  74  -0.331  13.479   1.794
  459    H    ILE  75           H        ILE  75   2.051  13.537   4.625
  460    HA   ILE  75           HA       ILE  75   4.736  13.415   5.730
  461    HB   ILE  75           HB       ILE  75   2.958  15.169   6.319
  462   1HG1  ILE  75          1HG1      ILE  75   3.714  14.827   8.884
  463   2HG1  ILE  75          2HG1      ILE  75   4.846  13.732   8.097
  464   1HG2  ILE  75          1HG2      ILE  75   1.591  12.838   7.173
  465   2HG2  ILE  75          2HG2      ILE  75   1.975  13.791   8.607
  466   3HG2  ILE  75          3HG2      ILE  75   1.066  14.519   7.282
  467   1HD1  ILE  75          1HD1      ILE  75   4.907  16.584   8.281
  468   2HD1  ILE  75          2HD1      ILE  75   6.134  15.474   7.669
  469   3HD1  ILE  75          3HD1      ILE  75   4.882  16.088   6.588
  470    H    LYS  76           H        LYS  76   2.325  11.000   5.210
  471    HA   LYS  76           HA       LYS  76   2.639   9.956   7.918
  472   1HB   LYS  76          1HB       LYS  76   0.713   9.636   5.779
  473   2HB   LYS  76          2HB       LYS  76   1.164   8.104   6.517
  474   1HG   LYS  76          1HG       LYS  76   0.586   8.983   8.717
  475   2HG   LYS  76          2HG       LYS  76   0.138  10.526   7.981
  476   1HD   LYS  76          1HD       LYS  76  -1.182   7.856   7.726
  477   2HD   LYS  76          2HD       LYS  76  -1.891   9.405   8.200
  478   1HE   LYS  76          1HE       LYS  76  -0.820   8.737   5.466
  479   2HE   LYS  76          2HE       LYS  76  -2.527   8.705   5.913
  480   1HZ   LYS  76          1HZ       LYS  76  -1.488  10.805   4.772
  481   2HZ   LYS  76          2HZ       LYS  76  -0.996  11.179   6.347
  482   3HZ   LYS  76          3HZ       LYS  76  -2.641  10.984   6.007
  483    H    ARG  77           H        ARG  77   3.781   8.231   8.511
  484    HA   ARG  77           HA       ARG  77   4.944   6.588   6.381
  485   1HB   ARG  77          1HB       ARG  77   6.351   8.188   8.437
  486   2HB   ARG  77          2HB       ARG  77   6.972   6.569   8.151
  487   1HG   ARG  77          1HG       ARG  77   7.724   7.072   6.074
  488   2HG   ARG  77          2HG       ARG  77   6.442   8.247   5.774
  489   1HD   ARG  77          1HD       ARG  77   8.643   9.313   5.965
  490   2HD   ARG  77          2HD       ARG  77   7.533   9.852   7.223
  491    HE   ARG  77           HE       ARG  77   9.361   7.680   7.886
  492   1HH1  ARG  77          1HH1      ARG  77   8.509  11.065   8.160
  493   2HH1  ARG  77          2HH1      ARG  77   9.606  11.358   9.476
  494   1HH2  ARG  77          1HH2      ARG  77  10.763   8.056   9.644
  495   2HH2  ARG  77          2HH2      ARG  77  10.868   9.651  10.334
  496    H    ASN  78           H        ASN  78   4.164   4.642   6.680
  497    HA   ASN  78           HA       ASN  78   4.064   3.484   9.365
  498   1HB   ASN  78          1HB       ASN  78   2.538   3.079   7.095
  499   2HB   ASN  78          2HB       ASN  78   3.601   1.676   7.110
  500   1HD2  ASN  78          1HD2      ASN  78   2.461   3.362   9.973
  501   2HD2  ASN  78          2HD2      ASN  78   1.493   2.060  10.562
  502    H    ASP  79           H        ASP  79   5.036   1.232   9.575
  503    HA   ASP  79           HA       ASP  79   7.838   1.483   8.771
  504   1HB   ASP  79          1HB       ASP  79   6.852   1.191  11.223
  505   2HB   ASP  79          2HB       ASP  79   6.947  -0.514  10.793
  506    H    ILE  80           H        ILE  80   8.764  -1.057   9.140
  507    HA   ILE  80           HA       ILE  80   7.684  -2.435   6.794
  508    HB   ILE  80           HB       ILE  80   9.816  -3.956   7.615
  509   1HG1  ILE  80          1HG1      ILE  80  11.144  -1.355   7.701
  510   2HG1  ILE  80          2HG1      ILE  80  10.104  -1.629   9.095
  511   1HG2  ILE  80          1HG2      ILE  80  10.990  -2.981   5.725
  512   2HG2  ILE  80          2HG2      ILE  80   9.289  -3.245   5.345
  513   3HG2  ILE  80          3HG2      ILE  80   9.867  -1.621   5.716
  514   1HD1  ILE  80          1HD1      ILE  80  12.674  -2.441   8.897
  515   2HD1  ILE  80          2HD1      ILE  80  11.470  -3.167   9.963
  516   3HD1  ILE  80          3HD1      ILE  80  11.812  -3.897   8.395
  517    H    ASP  81           H        ASP  81   6.706  -2.377   9.708
  518    HA   ASP  81           HA       ASP  81   5.765  -5.095   9.731
  519   1HB   ASP  81          1HB       ASP  81   7.977  -5.117  10.997
  520   2HB   ASP  81          2HB       ASP  81   7.218  -4.058  12.179
  521    H    LYS  82           H        LYS  82   4.227  -3.147   9.139
  522    HA   LYS  82           HA       LYS  82   2.671  -2.454  11.507
  523   1HB   LYS  82          1HB       LYS  82   4.583  -0.676  10.424
  524   2HB   LYS  82          2HB       LYS  82   3.005  -0.057   9.960
  525   1HG   LYS  82          1HG       LYS  82   2.948   0.911  11.951
  526   2HG   LYS  82          2HG       LYS  82   2.686  -0.699  12.618
  527   1HD   LYS  82          1HD       LYS  82   5.453  -0.465  12.180
  528   2HD   LYS  82          2HD       LYS  82   4.940   1.047  12.930
  529   1HE   LYS  82          1HE       LYS  82   4.909   0.026  14.896
  530   2HE   LYS  82          2HE       LYS  82   3.622  -1.023  14.303
  531   1HZ   LYS  82          1HZ       LYS  82   6.423  -1.657  13.656
  532   2HZ   LYS  82          2HZ       LYS  82   5.096  -2.696  13.804
  533   3HZ   LYS  82          3HZ       LYS  82   5.816  -2.042  15.192
  534    HA   PRO  83           HA       PRO  83  -0.471  -2.716   8.386
  535   1HB   PRO  83          1HB       PRO  83  -2.551  -2.195  10.146
  536   2HB   PRO  83          2HB       PRO  83  -1.736  -3.748   9.958
  537   1HG   PRO  83          1HG       PRO  83  -1.702  -2.067  12.239
  538   2HG   PRO  83          2HG       PRO  83  -0.745  -3.533  11.974
  539   1HD   PRO  83          1HD       PRO  83   0.012  -0.673  11.574
  540   2HD   PRO  83          2HD       PRO  83   1.017  -2.047  12.103
  541    H    LEU  84           H        LEU  84  -0.353  -1.023   6.959
  542    HA   LEU  84           HA       LEU  84  -2.254   1.166   7.483
  543   1HB   LEU  84          1HB       LEU  84   0.419   1.603   7.292
  544   2HB   LEU  84          2HB       LEU  84  -0.042   1.716   5.604
  545    HG   LEU  84           HG       LEU  84  -1.641   3.493   6.149
  546   1HD1  LEU  84          1HD1      LEU  84  -1.539   4.511   8.421
  547   2HD1  LEU  84          2HD1      LEU  84  -2.271   2.908   8.384
  548   3HD1  LEU  84          3HD1      LEU  84  -0.615   3.108   8.956
  549   1HD2  LEU  84          1HD2      LEU  84   0.032   5.205   6.796
  550   2HD2  LEU  84          2HD2      LEU  84   1.171   3.903   7.140
  551   3HD2  LEU  84          3HD2      LEU  84   0.569   4.137   5.497
  552    H    LYS  85           H        LYS  85  -3.879   1.031   6.033
  553    HA   LYS  85           HA       LYS  85  -3.681  -0.976   3.948
  554   1HB   LYS  85          1HB       LYS  85  -5.692  -0.917   5.297
  555   2HB   LYS  85          2HB       LYS  85  -6.031   0.725   4.778
  556   1HG   LYS  85          1HG       LYS  85  -7.460  -0.724   3.573
  557   2HG   LYS  85          2HG       LYS  85  -6.232  -0.139   2.449
  558   1HD   LYS  85          1HD       LYS  85  -5.794  -2.257   1.933
  559   2HD   LYS  85          2HD       LYS  85  -5.175  -2.476   3.573
  560   1HE   LYS  85          1HE       LYS  85  -8.036  -2.842   2.703
  561   2HE   LYS  85          2HE       LYS  85  -6.881  -4.139   3.010
  562   1HZ   LYS  85          1HZ       LYS  85  -8.250  -2.377   4.902
  563   2HZ   LYS  85          2HZ       LYS  85  -6.696  -2.928   5.304
  564   3HZ   LYS  85          3HZ       LYS  85  -7.936  -4.040   5.006
  565    H    TYR  86           H        TYR  86  -4.167  -0.699   1.830
  566    HA   TYR  86           HA       TYR  86  -4.700   1.975   0.792
  567   1HB   TYR  86          1HB       TYR  86  -2.965   2.053  -0.645
  568   2HB   TYR  86          2HB       TYR  86  -2.228   0.903   0.463
  569    HD1  TYR  86           HD1      TYR  86  -2.893   1.561  -2.888
  570    HD2  TYR  86           HD2      TYR  86  -2.915  -1.649  -0.093
  571    HE1  TYR  86           HE1      TYR  86  -2.687  -0.043  -4.737
  572    HE2  TYR  86           HE2      TYR  86  -2.711  -3.257  -1.935
  573    HH   TYR  86           HH       TYR  86  -3.047  -3.457  -4.252
  574    H    GLU  87           H        GLU  87  -5.417   1.850  -1.527
  575    HA   GLU  87           HA       GLU  87  -6.468  -0.276  -2.884
  576   1HB   GLU  87          1HB       GLU  87  -8.013   0.163  -0.531
  577   2HB   GLU  87          2HB       GLU  87  -8.963   0.739  -1.894
  578   1HG   GLU  87          1HG       GLU  87  -7.706  -1.857  -2.350
  579   2HG   GLU  87          2HG       GLU  87  -8.858  -1.837  -1.014
  580    H    ASP  88           H        ASP  88  -8.707   2.269  -2.066
  581    HA   ASP  88           HA       ASP  88  -7.529   4.471  -3.254
  582   1HB   ASP  88          1HB       ASP  88  -7.976   3.001  -5.358
  583   2HB   ASP  88          2HB       ASP  88  -9.658   3.478  -5.132
  584    H    TYR  89           H        TYR  89  -8.554   6.174  -2.457
  585    HA   TYR  89           HA       TYR  89 -11.160   5.709  -1.197
  586   1HB   TYR  89          1HB       TYR  89  -8.814   6.891  -0.254
  587   2HB   TYR  89          2HB       TYR  89  -9.884   8.251  -0.562
  588    HD1  TYR  89           HD1      TYR  89 -12.440   7.655   0.303
  589    HD2  TYR  89           HD2      TYR  89  -8.802   6.151   1.930
  590    HE1  TYR  89           HE1      TYR  89 -13.569   7.238   2.449
  591    HE2  TYR  89           HE2      TYR  89  -9.928   5.730   4.074
  592    HH   TYR  89           HH       TYR  89 -12.802   5.317   4.588
  593    H    TYR  90           H        TYR  90  -9.611   7.569  -3.692
  594    HA   TYR  90           HA       TYR  90 -11.988   9.301  -3.851
  595   1HB   TYR  90          1HB       TYR  90  -9.128  10.021  -3.639
  596   2HB   TYR  90          2HB       TYR  90 -10.068  10.940  -4.808
  597    HD1  TYR  90           HD1      TYR  90 -10.455  13.030  -3.894
  598    HD2  TYR  90           HD2      TYR  90 -10.973   9.595  -1.443
  599    HE1  TYR  90           HE1      TYR  90 -11.316  14.455  -2.085
  600    HE2  TYR  90           HE2      TYR  90 -11.836  11.009   0.369
  601    HH   TYR  90           HH       TYR  90 -13.037  13.840   0.065
  602    H    THR  91           H        THR  91  -9.036   8.624  -5.741
  603    HA   THR  91           HA       THR  91  -8.638   8.472  -7.966
  604    HB   THR  91           HB       THR  91 -11.387   7.567  -8.633
  605    HG1  THR  91           HG1      THR  91  -9.626   5.935  -7.077
  606   1HG2  THR  91          1HG2      THR  91 -10.023   5.740  -9.719
  607   2HG2  THR  91          2HG2      THR  91  -8.582   6.623  -9.215
  608   3HG2  THR  91          3HG2      THR  91  -9.729   7.368 -10.331
  609    H    SER  92           H        SER  92 -10.071  10.880  -6.798
  610    HA   SER  92           HA       SER  92 -11.259  11.925  -9.270
  611   1HB   SER  92          1HB       SER  92 -11.909  13.758  -7.365
  612   2HB   SER  92          2HB       SER  92 -12.919  12.374  -7.784
  613    HG   SER  92           HG       SER  92 -12.656  12.284  -5.599
  614    H    GLY  93           H        GLY  93 -10.164  13.954  -6.654
  615   1HA   GLY  93          1HA       GLY  93  -8.162  15.115  -8.479
  616   2HA   GLY  93          2HA       GLY  93  -8.974  15.984  -7.184
  617    H    LEU  94           H        LEU  94  -8.651  14.748  -4.972
  618    HA   LEU  94           HA       LEU  94  -5.839  14.808  -4.431
  619   1HB   LEU  94          1HB       LEU  94  -8.263  14.926  -2.942
  620   2HB   LEU  94          2HB       LEU  94  -7.288  13.632  -2.276
  621    HG   LEU  94           HG       LEU  94  -5.420  15.206  -1.956
  622   1HD1  LEU  94          1HD1      LEU  94  -5.994  17.661  -2.135
  623   2HD1  LEU  94          2HD1      LEU  94  -5.729  16.806  -3.654
  624   3HD1  LEU  94          3HD1      LEU  94  -7.371  17.168  -3.122
  625   1HD2  LEU  94          1HD2      LEU  94  -6.805  14.877  -0.069
  626   2HD2  LEU  94          2HD2      LEU  94  -6.560  16.619  -0.197
  627   3HD2  LEU  94          3HD2      LEU  94  -8.079  15.899  -0.734
  628    H    SER  95           H        SER  95  -5.052  13.133  -5.784
  629    HA   SER  95           HA       SER  95  -5.878  10.422  -5.479
  630   1HB   SER  95          1HB       SER  95  -3.222  10.716  -6.587
  631   2HB   SER  95          2HB       SER  95  -4.708  10.188  -7.377
  632    HG   SER  95           HG       SER  95  -4.390  12.023  -8.414
  633    H    TRP  96           H        TRP  96  -5.171   8.909  -4.139
  634    HA   TRP  96           HA       TRP  96  -3.099   9.586  -2.191
  635   1HB   TRP  96          1HB       TRP  96  -5.042   7.264  -2.337
  636   2HB   TRP  96          2HB       TRP  96  -3.849   7.476  -1.067
  637    HD1  TRP  96           HD1      TRP  96  -6.566   9.871  -2.515
  638    HE1  TRP  96           HE1      TRP  96  -7.893  10.829  -0.528
  639    HE3  TRP  96           HE3      TRP  96  -4.168   7.454   1.300
  640    HZ2  TRP  96           HZ2      TRP  96  -7.924  10.575   2.287
  641    HZ3  TRP  96           HZ3      TRP  96  -4.909   7.864   3.606
  642    HH2  TRP  96           HH2      TRP  96  -6.749   9.396   4.089
  643    H    ILE  97           H        ILE  97  -1.240   8.281  -1.923
  644    HA   ILE  97           HA       ILE  97  -0.784   6.299  -4.042
  645    HB   ILE  97           HB       ILE  97   0.489   8.813  -3.836
  646   1HG1  ILE  97          1HG1      ILE  97   1.650   8.102  -5.823
  647   2HG1  ILE  97          2HG1      ILE  97   1.302   6.417  -5.466
  648   1HG2  ILE  97          1HG2      ILE  97   2.853   8.162  -3.743
  649   2HG2  ILE  97          2HG2      ILE  97   2.027   7.906  -2.206
  650   3HG2  ILE  97          3HG2      ILE  97   2.374   6.535  -3.260
  651   1HD1  ILE  97          1HD1      ILE  97  -0.458   6.625  -6.797
  652   2HD1  ILE  97          2HD1      ILE  97  -1.188   7.617  -5.535
  653   3HD1  ILE  97          3HD1      ILE  97  -0.296   8.380  -6.851
  654    H    TRP  98           H        TRP  98   0.500   4.601  -3.595
  655    HA   TRP  98           HA       TRP  98   1.245   4.095  -0.795
  656   1HB   TRP  98          1HB       TRP  98   0.019   2.539  -2.772
  657   2HB   TRP  98          2HB       TRP  98   1.656   1.919  -2.675
  658    HD1  TRP  98           HD1      TRP  98   0.527  -0.358  -1.774
  659    HE1  TRP  98           HE1      TRP  98  -0.229  -1.047   0.584
  660    HE3  TRP  98           HE3      TRP  98   0.450   4.250   0.458
  661    HZ2  TRP  98           HZ2      TRP  98  -0.818   0.207   3.042
  662    HZ3  TRP  98           HZ3      TRP  98  -0.202   4.401   2.814
  663    HH2  TRP  98           HH2      TRP  98  -0.829   2.369   4.071
  664    H    LYS  99           H        LYS  99   3.266   5.262  -0.735
  665    HA   LYS  99           HA       LYS  99   5.188   4.510  -2.803
  666   1HB   LYS  99          1HB       LYS  99   4.825   6.842  -1.134
  667   2HB   LYS  99          2HB       LYS  99   6.479   6.256  -1.057
  668   1HG   LYS  99          1HG       LYS  99   5.474   6.300  -3.777
  669   2HG   LYS  99          2HG       LYS  99   5.389   7.885  -3.009
  670   1HD   LYS  99          1HD       LYS  99   7.865   7.108  -2.249
  671   2HD   LYS  99          2HD       LYS  99   7.736   6.287  -3.806
  672   1HE   LYS  99          1HE       LYS  99   6.769   8.744  -4.431
  673   2HE   LYS  99          2HE       LYS  99   7.946   9.157  -3.185
  674   1HZ   LYS  99          1HZ       LYS  99   8.751   9.085  -5.582
  675   2HZ   LYS  99          2HZ       LYS  99   8.648   7.403  -5.460
  676   3HZ   LYS  99          3HZ       LYS  99   9.687   8.260  -4.430
  677    H    ILE 100           H        ILE 100   6.075   2.631  -2.429
  678    HA   ILE 100           HA       ILE 100   7.151   1.991   0.212
  679    HB   ILE 100           HB       ILE 100   7.526   0.338  -2.281
  680   1HG1  ILE 100          1HG1      ILE 100   5.210   0.118  -0.349
  681   2HG1  ILE 100          2HG1      ILE 100   5.098   0.837  -1.952
  682   1HG2  ILE 100          1HG2      ILE 100   7.794  -0.085   0.656
  683   2HG2  ILE 100          2HG2      ILE 100   7.376  -1.456  -0.373
  684   3HG2  ILE 100          3HG2      ILE 100   8.870  -0.562  -0.658
  685   1HD1  ILE 100          1HD1      ILE 100   4.278  -1.352  -2.160
  686   2HD1  ILE 100          2HD1      ILE 100   5.901  -1.384  -2.851
  687   3HD1  ILE 100          3HD1      ILE 100   5.619  -2.029  -1.234
  688    H    LYS 101           H        LYS 101   8.792   3.454   0.476
  689    HA   LYS 101           HA       LYS 101  10.852   3.527  -1.601
  690   1HB   LYS 101          1HB       LYS 101  11.771   5.430  -0.133
  691   2HB   LYS 101          2HB       LYS 101  10.322   5.731  -1.077
  692   1HG   LYS 101          1HG       LYS 101   8.946   5.699   0.797
  693   2HG   LYS 101          2HG       LYS 101  10.152   4.866   1.782
  694   1HD   LYS 101          1HD       LYS 101  10.485   7.659   0.699
  695   2HD   LYS 101          2HD       LYS 101   9.884   7.291   2.318
  696   1HE   LYS 101          1HE       LYS 101  12.339   5.876   1.744
  697   2HE   LYS 101          2HE       LYS 101  12.538   7.619   1.556
  698   1HZ   LYS 101          1HZ       LYS 101  12.902   7.469   3.763
  699   2HZ   LYS 101          2HZ       LYS 101  11.976   6.059   3.950
  700   3HZ   LYS 101          3HZ       LYS 101  11.209   7.568   3.830
  701    H    ASN 102           H        ASN 102  12.299   2.018  -1.381
  702    HA   ASN 102           HA       ASN 102  13.098   1.114   1.271
  703   1HB   ASN 102          1HB       ASN 102  12.634  -0.634  -0.309
  704   2HB   ASN 102          2HB       ASN 102  13.700   0.101  -1.512
  705   1HD2  ASN 102          1HD2      ASN 102  15.307  -1.268  -1.787
  706   2HD2  ASN 102          2HD2      ASN 102  16.269  -1.965  -0.536
  707    H    ASN 103           H        ASN 103  14.708   2.015   2.250
  708    HA   ASN 103           HA       ASN 103  15.928   4.316   1.284
  709   1HB   ASN 103          1HB       ASN 103  16.710   2.552   3.615
  710   2HB   ASN 103          2HB       ASN 103  17.333   4.178   3.338
  711   1HD2  ASN 103          1HD2      ASN 103  15.679   2.956   5.511
  712   2HD2  ASN 103          2HD2      ASN 103  14.285   3.989   5.646
  713    H    SER 104           H        SER 104  17.245   1.029   1.473
  714    HA   SER 104           HA       SER 104  19.359   1.735  -0.347
  715   1HB   SER 104          1HB       SER 104  19.946   1.150   2.552
  716   2HB   SER 104          2HB       SER 104  21.161   1.020   1.282
  717    HG   SER 104           HG       SER 104  19.779   3.393   1.232
  718    H    SER 105           H        SER 105  20.991  -0.498   0.952
  719    HA   SER 105           HA       SER 105  21.303  -2.712   0.786
  720   1HB   SER 105          1HB       SER 105  18.334  -3.166   0.795
  721   2HB   SER 105          2HB       SER 105  19.608  -4.116   1.560
  722    HG   SER 105           HG       SER 105  18.308  -2.782   3.007
  723    H    GLU 106           H        GLU 106  19.684  -4.658  -0.432
  724    HA   GLU 106           HA       GLU 106  19.724  -3.821  -3.246
  725   1HB   GLU 106          1HB       GLU 106  21.137  -5.896  -1.926
  726   2HB   GLU 106          2HB       GLU 106  19.941  -6.661  -2.969
  727   1HG   GLU 106          1HG       GLU 106  22.358  -5.117  -3.655
  728   2HG   GLU 106          2HG       GLU 106  21.610  -6.484  -4.478
  729    H    THR 107           H        THR 107  18.393  -5.831  -4.427
  730    HA   THR 107           HA       THR 107  15.749  -5.259  -4.151
  731    HB   THR 107           HB       THR 107  16.122  -8.067  -4.809
  732    HG1  THR 107           HG1      THR 107  17.635  -7.795  -6.410
  733   1HG2  THR 107          1HG2      THR 107  15.482  -5.796  -6.674
  734   2HG2  THR 107          2HG2      THR 107  14.295  -6.420  -5.529
  735   3HG2  THR 107          3HG2      THR 107  14.965  -7.480  -6.769
  736    H    SER 108           H        SER 108  14.763  -5.204  -2.223
  737    HA   SER 108           HA       SER 108  14.940  -7.519  -0.442
  738   1HB   SER 108          1HB       SER 108  13.575  -4.902   0.185
  739   2HB   SER 108          2HB       SER 108  14.214  -6.103   1.306
  740    HG   SER 108           HG       SER 108  16.118  -5.130  -0.396
  741    H    ASN 109           H        ASN 109  13.181  -8.714   0.127
  742    HA   ASN 109           HA       ASN 109  10.814  -8.438  -1.525
  743   1HB   ASN 109          1HB       ASN 109  11.861 -10.670  -0.977
  744   2HB   ASN 109          2HB       ASN 109  11.322 -10.444   0.684
  745   1HD2  ASN 109          1HD2      ASN 109   9.211 -10.805   1.204
  746   2HD2  ASN 109          2HD2      ASN 109   8.035 -11.399   0.077
  747    H    TYR 110           H        TYR 110   8.995  -7.463  -0.929
  748    HA   TYR 110           HA       TYR 110   8.638  -6.863   1.930
  749   1HB   TYR 110          1HB       TYR 110   7.233  -4.963   1.271
  750   2HB   TYR 110          2HB       TYR 110   8.847  -4.814   0.591
  751    HD1  TYR 110           HD1      TYR 110   5.342  -5.705  -0.223
  752    HD2  TYR 110           HD2      TYR 110   9.152  -4.583  -1.759
  753    HE1  TYR 110           HE1      TYR 110   4.340  -5.352  -2.437
  754    HE2  TYR 110           HE2      TYR 110   8.156  -4.236  -3.976
  755    HH   TYR 110           HH       TYR 110   6.298  -4.675  -5.259
  756    H    SER 111           H        SER 111   6.591  -7.223   2.848
  757    HA   SER 111           HA       SER 111   4.743  -8.767   1.150
  758   1HB   SER 111          1HB       SER 111   4.537  -9.396   3.986
  759   2HB   SER 111          2HB       SER 111   4.723 -10.480   2.608
  760    HG   SER 111           HG       SER 111   7.034  -9.506   2.739
  761    H    LEU 112           H        LEU 112   3.398  -7.047   0.707
  762    HA   LEU 112           HA       LEU 112   2.323  -5.482   2.918
  763   1HB   LEU 112          1HB       LEU 112   3.004  -4.653   0.533
  764   2HB   LEU 112          2HB       LEU 112   1.430  -5.260   0.066
  765    HG   LEU 112           HG       LEU 112   1.921  -2.719   0.865
  766   1HD1  LEU 112          1HD1      LEU 112  -0.645  -2.831   1.487
  767   2HD1  LEU 112          2HD1      LEU 112  -0.080  -3.009  -0.173
  768   3HD1  LEU 112          3HD1      LEU 112  -0.495  -4.436   0.777
  769   1HD2  LEU 112          1HD2      LEU 112   2.438  -3.316   3.156
  770   2HD2  LEU 112          2HD2      LEU 112   0.917  -2.424   3.089
  771   3HD2  LEU 112          3HD2      LEU 112   0.903  -4.175   3.302
  772    H    ASP 113           H        ASP 113   0.936  -6.730   4.068
  773    HA   ASP 113           HA       ASP 113  -0.987  -8.423   2.702
  774   1HB   ASP 113          1HB       ASP 113  -0.733  -7.894   5.669
  775   2HB   ASP 113          2HB       ASP 113  -1.625  -9.202   4.908
  776    H    ALA 114           H        ALA 114  -2.403  -7.052   1.664
  777    HA   ALA 114           HA       ALA 114  -3.989  -5.288   3.423
  778   1HB   ALA 114          1HB       ALA 114  -3.163  -4.889   0.555
  779   2HB   ALA 114          2HB       ALA 114  -4.460  -3.966   1.312
  780   3HB   ALA 114          3HB       ALA 114  -2.817  -3.854   1.942
  781    H    THR 115           H        THR 115  -6.167  -5.525   3.409
  782    HA   THR 115           HA       THR 115  -7.305  -7.688   1.838
  783    HB   THR 115           HB       THR 115  -9.384  -6.564   3.265
  784    HG1  THR 115           HG1      THR 115  -8.479  -6.218   5.369
  785   1HG2  THR 115          1HG2      THR 115  -9.466  -8.706   3.866
  786   2HG2  THR 115          2HG2      THR 115  -8.090  -8.461   4.941
  787   3HG2  THR 115          3HG2      THR 115  -7.826  -8.946   3.266
  788    H    VAL 116           H        VAL 116  -7.315  -6.783  -0.255
  789    HA   VAL 116           HA       VAL 116  -8.462  -4.219  -0.787
  790    HB   VAL 116           HB       VAL 116  -8.390  -5.035  -3.208
  791   1HG1  VAL 116          1HG1      VAL 116  -5.824  -5.017  -1.624
  792   2HG1  VAL 116          2HG1      VAL 116  -5.981  -4.726  -3.357
  793   3HG1  VAL 116          3HG1      VAL 116  -6.688  -3.593  -2.205
  794   1HG2  VAL 116          1HG2      VAL 116  -6.468  -7.122  -2.485
  795   2HG2  VAL 116          2HG2      VAL 116  -8.145  -7.506  -2.093
  796   3HG2  VAL 116          3HG2      VAL 116  -7.699  -7.098  -3.748
  797    H    HIS 117           H        HIS 117 -10.288  -3.907  -2.297
  798    HA   HIS 117           HA       HIS 117 -12.553  -5.456  -1.319
  799   1HB   HIS 117          1HB       HIS 117 -12.236  -2.805  -1.731
  800   2HB   HIS 117          2HB       HIS 117 -12.971  -3.264  -3.263
  801    HD1  HIS 117           HD1      HIS 117 -15.222  -2.213  -2.903
  802    HD2  HIS 117           HD2      HIS 117 -14.130  -4.795   0.174
  803    HE1  HIS 117           HE1      HIS 117 -17.264  -2.448  -1.453
  804    HE2  HIS 117           HE2      HIS 117 -16.621  -4.100   0.335
  805    H    ASP 118           H        ASP 118 -10.920  -4.715  -4.355
  806    HA   ASP 118           HA       ASP 118 -12.623  -6.738  -5.667
  807   1HB   ASP 118          1HB       ASP 118 -12.586  -4.161  -6.407
  808   2HB   ASP 118          2HB       ASP 118 -11.207  -4.730  -7.344
  809    H    ASP 119           H        ASP 119 -11.279  -7.263  -7.925
  810    HA   ASP 119           HA       ASP 119  -8.493  -7.765  -7.388
  811   1HB   ASP 119          1HB       ASP 119  -9.511  -9.546  -6.053
  812   2HB   ASP 119          2HB       ASP 119 -10.440 -10.081  -7.448
  813    H    LYS 120           H        LYS 120  -8.803  -6.397  -9.362
  814    HA   LYS 120           HA       LYS 120  -8.234  -8.046 -11.628
  815   1HB   LYS 120          1HB       LYS 120 -10.921  -7.061 -11.325
  816   2HB   LYS 120          2HB       LYS 120 -10.166  -6.276 -12.707
  817   1HG   LYS 120          1HG       LYS 120  -9.509  -8.602 -13.483
  818   2HG   LYS 120          2HG       LYS 120 -10.616  -9.211 -12.249
  819   1HD   LYS 120          1HD       LYS 120 -12.016  -7.210 -13.633
  820   2HD   LYS 120          2HD       LYS 120 -11.197  -8.174 -14.865
  821   1HE   LYS 120          1HE       LYS 120 -13.196  -9.307 -14.597
  822   2HE   LYS 120          2HE       LYS 120 -12.113 -10.198 -13.529
  823   1HZ   LYS 120          1HZ       LYS 120 -13.272  -9.596 -11.737
  824   2HZ   LYS 120          2HZ       LYS 120 -14.512  -9.183 -12.818
  825   3HZ   LYS 120          3HZ       LYS 120 -13.454  -7.990 -12.252
  826    H    GLU 121           H        GLU 121  -6.796  -6.237 -10.108
  827    HA   GLU 121           HA       GLU 121  -6.577  -3.856 -11.839
  828   1HB   GLU 121          1HB       GLU 121  -6.585  -4.222  -8.940
  829   2HB   GLU 121          2HB       GLU 121  -5.207  -3.286  -9.500
  830   1HG   GLU 121          1HG       GLU 121  -6.900  -1.738  -8.978
  831   2HG   GLU 121          2HG       GLU 121  -6.833  -1.824 -10.736
  832    H    ASP 122           H        ASP 122  -5.377  -6.498 -12.186
  833    HA   ASP 122           HA       ASP 122  -2.841  -6.954 -11.321
  834   1HB   ASP 122          1HB       ASP 122  -4.239  -8.403 -12.831
  835   2HB   ASP 122          2HB       ASP 122  -3.721  -7.396 -14.176
  836    H    SER 123           H        SER 123  -3.672  -5.003 -14.171
  837    HA   SER 123           HA       SER 123  -0.963  -4.565 -14.912
  838   1HB   SER 123          1HB       SER 123  -2.561  -2.624 -16.157
  839   2HB   SER 123          2HB       SER 123  -2.065  -4.183 -16.819
  840    HG   SER 123           HG       SER 123  -4.482  -3.451 -15.572
  841    H    ASP 124           H        ASP 124  -2.851  -3.104 -12.511
  842    HA   ASP 124           HA       ASP 124  -1.427  -0.545 -12.795
  843   1HB   ASP 124          1HB       ASP 124  -4.137  -1.088 -12.328
  844   2HB   ASP 124          2HB       ASP 124  -3.508  -0.492 -10.794
  845    H    VAL 125           H        VAL 125  -1.959  -3.239 -10.649
  846    HA   VAL 125           HA       VAL 125  -0.594  -1.926  -8.449
  847    HB   VAL 125           HB       VAL 125  -0.889  -4.155  -7.289
  848   1HG1  VAL 125          1HG1      VAL 125  -2.582  -2.058  -7.590
  849   2HG1  VAL 125          2HG1      VAL 125  -3.607  -3.398  -8.102
  850   3HG1  VAL 125          3HG1      VAL 125  -2.860  -3.418  -6.504
  851   1HG2  VAL 125          1HG2      VAL 125  -1.202  -5.293  -9.643
  852   2HG2  VAL 125          2HG2      VAL 125  -2.046  -5.903  -8.220
  853   3HG2  VAL 125          3HG2      VAL 125  -2.894  -4.872  -9.373
  854    H    LEU 126           H        LEU 126   1.373  -1.592  -9.702
  855    HA   LEU 126           HA       LEU 126   3.120  -3.953  -9.613
  856   1HB   LEU 126          1HB       LEU 126   2.191  -2.891 -11.945
  857   2HB   LEU 126          2HB       LEU 126   3.690  -2.006 -11.742
  858    HG   LEU 126           HG       LEU 126   4.209  -4.770 -11.262
  859   1HD1  LEU 126          1HD1      LEU 126   2.121  -5.071 -12.616
  860   2HD1  LEU 126          2HD1      LEU 126   2.950  -4.270 -13.950
  861   3HD1  LEU 126          3HD1      LEU 126   3.573  -5.792 -13.311
  862   1HD2  LEU 126          1HD2      LEU 126   6.074  -3.955 -12.149
  863   2HD2  LEU 126          2HD2      LEU 126   5.285  -4.012 -13.725
  864   3HD2  LEU 126          3HD2      LEU 126   5.227  -2.535 -12.763
  865    H    THR 127           H        THR 127   5.344  -3.508  -9.301
  866    HA   THR 127           HA       THR 127   5.925  -1.226  -7.689
  867    HB   THR 127           HB       THR 127   8.305  -2.544  -8.595
  868    HG1  THR 127           HG1      THR 127   7.787  -4.645  -8.430
  869   1HG2  THR 127          1HG2      THR 127   7.832  -1.473  -6.365
  870   2HG2  THR 127          2HG2      THR 127   8.583  -3.066  -6.280
  871   3HG2  THR 127          3HG2      THR 127   6.857  -2.889  -5.969
  872    H    LYS 128           H        LYS 128   5.186   0.236  -9.576
  873    HA   LYS 128           HA       LYS 128   7.539   0.963 -11.179
  874   1HB   LYS 128          1HB       LYS 128   6.232  -0.286 -12.717
  875   2HB   LYS 128          2HB       LYS 128   4.738   0.456 -12.167
  876   1HG   LYS 128          1HG       LYS 128   5.802   2.650 -13.049
  877   2HG   LYS 128          2HG       LYS 128   6.845   1.563 -13.968
  878   1HD   LYS 128          1HD       LYS 128   3.830   1.464 -13.997
  879   2HD   LYS 128          2HD       LYS 128   4.808   2.302 -15.203
  880   1HE   LYS 128          1HE       LYS 128   5.752   0.290 -15.987
  881   2HE   LYS 128          2HE       LYS 128   5.197  -0.612 -14.577
  882   1HZ   LYS 128          1HZ       LYS 128   2.881  -0.133 -15.374
  883   2HZ   LYS 128          2HZ       LYS 128   3.784  -1.181 -16.356
  884   3HZ   LYS 128          3HZ       LYS 128   3.566   0.438 -16.820
  885    H    CYS 129           H        CYS 129   8.016   3.044 -10.960
  886    HA   CYS 129           HA       CYS 129   6.006   5.073 -11.107
  887   1HB   CYS 129          1HB       CYS 129   6.569   4.186  -8.529
  888   2HB   CYS 129          2HB       CYS 129   7.560   5.629  -8.703
  889    HA   PRO 130           HA       PRO 130   9.785   7.023 -12.518
  890   1HB   PRO 130          1HB       PRO 130   8.545   8.858 -14.072
  891   2HB   PRO 130          2HB       PRO 130   8.691   7.161 -14.534
  892   1HG   PRO 130          1HG       PRO 130   6.315   8.656 -13.735
  893   2HG   PRO 130          2HG       PRO 130   6.429   7.074 -14.520
  894   1HD   PRO 130          1HD       PRO 130   6.010   7.712 -11.707
  895   2HD   PRO 130          2HD       PRO 130   5.859   6.147 -12.534
  896    H    VAL 131           H        VAL 131   8.547   7.785  -9.925
  897    HA   VAL 131           HA       VAL 131   9.755  10.303  -9.522
  898    HB   VAL 131           HB       VAL 131   7.720  11.049 -10.758
  899   1HG1  VAL 131          1HG1      VAL 131   5.996  10.430  -8.430
  900   2HG1  VAL 131          2HG1      VAL 131   5.587  10.595 -10.136
  901   3HG1  VAL 131          3HG1      VAL 131   6.366   9.124  -9.555
  902   1HG2  VAL 131          1HG2      VAL 131   8.741  12.054  -8.332
  903   2HG2  VAL 131          2HG2      VAL 131   7.905  12.935  -9.609
  904   3HG2  VAL 131          3HG2      VAL 131   6.990  12.249  -8.269
  Start of MODEL   14
    1   1H    ARG  14          1H        ARG  14 -13.210  -7.941  10.829
    2    HA   ARG  14           HA       ARG  14 -10.761  -9.363  10.035
    3   1HB   ARG  14          1HB       ARG  14 -13.548 -10.091  10.082
    4   2HB   ARG  14          2HB       ARG  14 -12.912 -10.230   8.449
    5   1HG   ARG  14          1HG       ARG  14 -10.942 -11.452   9.780
    6   2HG   ARG  14          2HG       ARG  14 -12.288 -11.799  10.868
    7   1HD   ARG  14          1HD       ARG  14 -13.223 -13.240   9.433
    8   2HD   ARG  14          2HD       ARG  14 -12.927 -12.191   8.046
    9    HE   ARG  14           HE       ARG  14 -10.919 -14.021   9.206
   10   1HH1  ARG  14          1HH1      ARG  14 -12.351 -12.348   6.478
   11   2HH1  ARG  14          2HH1      ARG  14 -11.255 -13.045   5.315
   12   1HH2  ARG  14          1HH2      ARG  14  -9.490 -14.953   7.690
   13   2HH2  ARG  14          2HH2      ARG  14  -9.637 -14.547   6.001
   14    H    ILE  15           H        ILE  15  -9.773  -8.902   8.174
   15    HA   ILE  15           HA       ILE  15 -10.966  -6.833   6.460
   16    HB   ILE  15           HB       ILE  15  -8.173  -7.555   5.922
   17   1HG1  ILE  15          1HG1      ILE  15  -7.948  -5.827   8.141
   18   2HG1  ILE  15          2HG1      ILE  15  -8.986  -7.151   8.662
   19   1HG2  ILE  15          1HG2      ILE  15  -9.942  -5.309   5.740
   20   2HG2  ILE  15          2HG2      ILE  15  -8.457  -4.839   6.568
   21   3HG2  ILE  15          3HG2      ILE  15  -8.380  -5.567   4.962
   22   1HD1  ILE  15          1HD1      ILE  15  -7.324  -8.691   8.520
   23   2HD1  ILE  15          2HD1      ILE  15  -6.493  -7.841   7.219
   24   3HD1  ILE  15          3HD1      ILE  15  -6.361  -7.256   8.877
   25    HA   PRO  16           HA       PRO  16 -11.593 -10.363   3.798
   26   1HB   PRO  16          1HB       PRO  16 -13.302  -8.707   2.180
   27   2HB   PRO  16          2HB       PRO  16 -13.757  -9.984   3.309
   28   1HG   PRO  16          1HG       PRO  16 -14.293  -7.324   3.706
   29   2HG   PRO  16          2HG       PRO  16 -14.136  -8.511   5.012
   30   1HD   PRO  16          1HD       PRO  16 -12.133  -6.526   4.005
   31   2HD   PRO  16          2HD       PRO  16 -12.505  -7.003   5.677
   32    H    ASN  17           H        ASN  17 -11.696  -7.294   1.929
   33    HA   ASN  17           HA       ASN  17 -10.329  -8.695  -0.213
   34   1HB   ASN  17          1HB       ASN  17 -12.304  -6.746  -0.171
   35   2HB   ASN  17          2HB       ASN  17 -10.876  -5.897  -0.759
   36   1HD2  ASN  17          1HD2      ASN  17 -12.073  -5.736  -2.770
   37   2HD2  ASN  17          2HD2      ASN  17 -12.062  -7.078  -3.877
   38    H    ILE  18           H        ILE  18  -8.411  -8.747   1.327
   39    HA   ILE  18           HA       ILE  18  -6.622  -6.589   0.430
   40    HB   ILE  18           HB       ILE  18  -5.304  -7.246   2.626
   41   1HG1  ILE  18          1HG1      ILE  18  -7.838  -7.302   4.046
   42   2HG1  ILE  18          2HG1      ILE  18  -7.648  -8.705   2.999
   43   1HG2  ILE  18          1HG2      ILE  18  -6.704  -5.407   3.819
   44   2HG2  ILE  18          2HG2      ILE  18  -5.790  -5.006   2.365
   45   3HG2  ILE  18          3HG2      ILE  18  -7.530  -5.290   2.265
   46   1HD1  ILE  18          1HD1      ILE  18  -5.304  -8.017   4.634
   47   2HD1  ILE  18          2HD1      ILE  18  -6.728  -8.568   5.520
   48   3HD1  ILE  18          3HD1      ILE  18  -6.018  -9.588   4.266
   49    H    ALA  19           H        ALA  19  -4.571  -7.258  -0.198
   50    HA   ALA  19           HA       ALA  19  -4.124 -10.160  -0.199
   51   1HB   ALA  19          1HB       ALA  19  -4.942  -8.873  -2.427
   52   2HB   ALA  19          2HB       ALA  19  -3.190  -8.741  -2.594
   53   3HB   ALA  19          3HB       ALA  19  -3.945 -10.326  -2.432
   54    H    THR  20           H        THR  20  -2.051 -10.821   0.024
   55    HA   THR  20           HA       THR  20  -0.166  -8.773   0.911
   56    HB   THR  20           HB       THR  20   0.517 -11.630   1.237
   57    HG1  THR  20           HG1      THR  20  -1.782 -10.427   2.434
   58   1HG2  THR  20          1HG2      THR  20   0.526 -10.320   3.692
   59   2HG2  THR  20          2HG2      THR  20   1.003  -9.081   2.532
   60   3HG2  THR  20          3HG2      THR  20   1.915 -10.586   2.640
   61    H    TYR  21           H        TYR  21   1.056  -8.044  -0.691
   62    HA   TYR  21           HA       TYR  21   2.004  -9.869  -2.769
   63   1HB   TYR  21          1HB       TYR  21   2.571  -6.913  -2.624
   64   2HB   TYR  21          2HB       TYR  21   2.528  -7.954  -4.045
   65    HD1  TYR  21           HD1      TYR  21   0.183  -9.106  -4.484
   66    HD2  TYR  21           HD2      TYR  21   0.738  -5.545  -2.215
   67    HE1  TYR  21           HE1      TYR  21  -2.178  -8.525  -4.832
   68    HE2  TYR  21           HE2      TYR  21  -1.627  -4.961  -2.563
   69    HH   TYR  21           HH       TYR  21  -3.681  -5.896  -3.129
   70    H    THR  22           H        THR  22   3.857 -10.881  -2.476
   71    HA   THR  22           HA       THR  22   5.809  -9.765  -0.587
   72    HB   THR  22           HB       THR  22   6.696 -12.282  -1.179
   73    HG1  THR  22           HG1      THR  22   3.991 -12.810  -0.767
   74   1HG2  THR  22          1HG2      THR  22   4.701 -12.285   0.950
   75   2HG2  THR  22          2HG2      THR  22   5.811 -10.916   1.033
   76   3HG2  THR  22          3HG2      THR  22   6.440 -12.564   1.031
   77    H    GLY  23           H        GLY  23   6.175  -8.293  -2.611
   78   1HA   GLY  23          1HA       GLY  23   7.805  -9.593  -4.657
   79   2HA   GLY  23          2HA       GLY  23   7.183  -7.950  -4.713
   80    H    THR  24           H        THR  24   9.624  -8.026  -5.476
   81    HA   THR  24           HA       THR  24  11.283  -7.359  -3.138
   82    HB   THR  24           HB       THR  24  12.730  -7.675  -5.656
   83    HG1  THR  24           HG1      THR  24  10.937  -9.255  -5.847
   84   1HG2  THR  24          1HG2      THR  24  12.909  -8.680  -2.842
   85   2HG2  THR  24          2HG2      THR  24  14.051  -7.687  -3.748
   86   3HG2  THR  24          3HG2      THR  24  13.902  -9.407  -4.105
   87    H    ILE  25           H        ILE  25  11.347  -5.253  -2.804
   88    HA   ILE  25           HA       ILE  25  10.707  -3.333  -4.829
   89    HB   ILE  25           HB       ILE  25  10.044  -2.836  -2.566
   90   1HG1  ILE  25          1HG1      ILE  25  11.950  -0.755  -2.394
   91   2HG1  ILE  25          2HG1      ILE  25  11.723  -1.088  -4.110
   92   1HG2  ILE  25          1HG2      ILE  25  11.386  -3.810  -1.033
   93   2HG2  ILE  25          2HG2      ILE  25  12.860  -3.478  -1.943
   94   3HG2  ILE  25          3HG2      ILE  25  12.103  -2.199  -0.995
   95   1HD1  ILE  25          1HD1      ILE  25   9.574  -0.408  -2.119
   96   2HD1  ILE  25          2HD1      ILE  25  10.218   0.642  -3.381
   97   3HD1  ILE  25          3HD1      ILE  25   9.304  -0.800  -3.818
   98    H    GLN  26           H        GLN  26  12.041  -1.811  -5.785
   99    HA   GLN  26           HA       GLN  26  14.639  -2.773  -6.433
  100   1HB   GLN  26          1HB       GLN  26  12.819  -0.724  -7.380
  101   2HB   GLN  26          2HB       GLN  26  14.476  -0.134  -7.332
  102   1HG   GLN  26          1HG       GLN  26  13.247  -2.218  -9.028
  103   2HG   GLN  26          2HG       GLN  26  14.471  -1.014  -9.418
  104   1HE2  GLN  26          1HE2      GLN  26  13.869  -4.235  -8.693
  105   2HE2  GLN  26          2HE2      GLN  26  15.508  -4.758  -8.481
  106    H    GLY  27           H        GLY  27  16.629  -1.566  -6.242
  107   1HA   GLY  27          1HA       GLY  27  17.130  -0.749  -3.577
  108   2HA   GLY  27          2HA       GLY  27  18.255  -0.629  -4.923
  109    H    LYS  28           H        LYS  28  16.984   1.140  -2.626
  110    HA   LYS  28           HA       LYS  28  16.540   3.329  -2.238
  111   1HB   LYS  28          1HB       LYS  28  18.074   3.861  -4.784
  112   2HB   LYS  28          2HB       LYS  28  17.879   4.939  -3.411
  113   1HG   LYS  28          1HG       LYS  28  19.026   2.600  -2.386
  114   2HG   LYS  28          2HG       LYS  28  19.881   2.947  -3.889
  115   1HD   LYS  28          1HD       LYS  28  19.956   5.378  -2.950
  116   2HD   LYS  28          2HD       LYS  28  19.663   4.591  -1.405
  117   1HE   LYS  28          1HE       LYS  28  21.946   4.589  -1.422
  118   2HE   LYS  28          2HE       LYS  28  21.630   3.042  -2.202
  119   1HZ   LYS  28          1HZ       LYS  28  23.030   3.851  -3.735
  120   2HZ   LYS  28          2HZ       LYS  28  22.771   5.471  -3.306
  121   3HZ   LYS  28          3HZ       LYS  28  21.664   4.672  -4.312
  122    H    GLY  29           H        GLY  29  14.447   2.038  -3.458
  123   1HA   GLY  29          1HA       GLY  29  13.511   3.983  -5.469
  124   2HA   GLY  29          2HA       GLY  29  13.088   2.279  -5.494
  125    H    GLU  30           H        GLU  30  11.192   4.222  -5.632
  126    HA   GLU  30           HA       GLU  30   9.660   3.646  -3.213
  127   1HB   GLU  30          1HB       GLU  30   8.670   6.049  -3.556
  128   2HB   GLU  30          2HB       GLU  30  10.151   5.836  -2.638
  129   1HG   GLU  30          1HG       GLU  30  11.399   6.939  -4.141
  130   2HG   GLU  30          2HG       GLU  30  10.524   6.271  -5.518
  131    H    VAL  31           H        VAL  31   7.877   2.623  -3.861
  132    HA   VAL  31           HA       VAL  31   6.823   3.086  -6.602
  133    HB   VAL  31           HB       VAL  31   7.234   0.886  -7.349
  134   1HG1  VAL  31          1HG1      VAL  31   9.458   2.264  -6.276
  135   2HG1  VAL  31          2HG1      VAL  31   9.706   0.544  -5.962
  136   3HG1  VAL  31          3HG1      VAL  31   9.431   1.111  -7.611
  137   1HG2  VAL  31          1HG2      VAL  31   8.219  -0.850  -5.628
  138   2HG2  VAL  31          2HG2      VAL  31   7.407   0.187  -4.454
  139   3HG2  VAL  31          3HG2      VAL  31   6.482  -0.579  -5.747
  140    H    CYS  32           H        CYS  32   4.971   1.576  -6.989
  141    HA   CYS  32           HA       CYS  32   3.071   1.799  -4.805
  142   1HB   CYS  32          1HB       CYS  32   1.576   0.945  -6.778
  143   2HB   CYS  32          2HB       CYS  32   2.198   2.598  -6.800
  144    H    ILE  33           H        ILE  33   1.396   0.077  -4.646
  145    HA   ILE  33           HA       ILE  33   2.148  -2.490  -5.800
  146    HB   ILE  33           HB       ILE  33   1.182  -3.711  -3.875
  147   1HG1  ILE  33          1HG1      ILE  33   1.542  -1.619  -1.904
  148   2HG1  ILE  33          2HG1      ILE  33   0.280  -1.197  -3.063
  149   1HG2  ILE  33          1HG2      ILE  33   3.146  -3.784  -2.691
  150   2HG2  ILE  33          2HG2      ILE  33   3.673  -3.039  -4.201
  151   3HG2  ILE  33          3HG2      ILE  33   3.386  -2.038  -2.776
  152   1HD1  ILE  33          1HD1      ILE  33  -0.053  -3.914  -2.357
  153   2HD1  ILE  33          2HD1      ILE  33   0.140  -2.975  -0.873
  154   3HD1  ILE  33          3HD1      ILE  33  -1.122  -2.545  -2.029
  155    H    ILE  34           H        ILE  34   0.719  -2.401  -7.446
  156    HA   ILE  34           HA       ILE  34  -1.949  -1.421  -7.094
  157    HB   ILE  34           HB       ILE  34  -1.110  -1.012  -9.243
  158   1HG1  ILE  34          1HG1      ILE  34  -2.462  -2.899 -10.657
  159   2HG1  ILE  34          2HG1      ILE  34  -3.189  -3.104  -9.065
  160   1HG2  ILE  34          1HG2      ILE  34  -0.588  -3.758 -10.120
  161   2HG2  ILE  34          2HG2      ILE  34   0.330  -2.277 -10.390
  162   3HG2  ILE  34          3HG2      ILE  34   0.506  -3.158  -8.872
  163   1HD1  ILE  34          1HD1      ILE  34  -4.558  -1.573 -10.158
  164   2HD1  ILE  34          2HD1      ILE  34  -3.552  -0.584  -9.101
  165   3HD1  ILE  34          3HD1      ILE  34  -3.190  -0.680 -10.824
  166    H    GLY  35           H        GLY  35  -3.568  -2.501  -6.290
  167   1HA   GLY  35          1HA       GLY  35  -3.397  -5.275  -5.660
  168   2HA   GLY  35          2HA       GLY  35  -4.793  -4.236  -5.424
  169    H    ASN  36           H        ASN  36  -3.025  -6.079  -7.869
  170    HA   ASN  36           HA       ASN  36  -5.357  -6.200  -9.587
  171   1HB   ASN  36          1HB       ASN  36  -3.115  -6.130 -10.599
  172   2HB   ASN  36          2HB       ASN  36  -2.690  -7.628  -9.778
  173   1HD2  ASN  36          1HD2      ASN  36  -2.492  -9.097 -11.321
  174   2HD2  ASN  36          2HD2      ASN  36  -3.677  -9.439 -12.539
  175    H    LYS  37           H        LYS  37  -6.946  -7.282  -8.582
  176    HA   LYS  37           HA       LYS  37  -6.461 -10.115  -7.962
  177   1HB   LYS  37          1HB       LYS  37  -6.914  -8.184  -6.032
  178   2HB   LYS  37          2HB       LYS  37  -8.517  -8.852  -6.304
  179   1HG   LYS  37          1HG       LYS  37  -7.682 -11.084  -5.822
  180   2HG   LYS  37          2HG       LYS  37  -6.058 -10.433  -5.584
  181   1HD   LYS  37          1HD       LYS  37  -6.553 -10.045  -3.453
  182   2HD   LYS  37          2HD       LYS  37  -7.798  -8.909  -3.971
  183   1HE   LYS  37          1HE       LYS  37  -8.392 -11.830  -3.973
  184   2HE   LYS  37          2HE       LYS  37  -8.399 -10.953  -2.444
  185   1HZ   LYS  37          1HZ       LYS  37 -10.548 -11.171  -3.901
  186   2HZ   LYS  37          2HZ       LYS  37  -9.901  -9.815  -4.695
  187   3HZ   LYS  37          3HZ       LYS  37 -10.225  -9.752  -3.033
  188    H    GLU  38           H        GLU  38  -9.182  -7.834  -7.946
  189    HA   GLU  38           HA       GLU  38 -10.595  -9.589  -9.835
  190   1HB   GLU  38          1HB       GLU  38 -12.579  -8.063  -9.071
  191   2HB   GLU  38          2HB       GLU  38 -12.024  -9.362  -8.024
  192   1HG   GLU  38          1HG       GLU  38 -10.603  -6.886  -7.532
  193   2HG   GLU  38          2HG       GLU  38 -12.347  -6.704  -7.338
  194    H    GLY  39           H        GLY  39  -8.509  -7.557 -10.422
  195   1HA   GLY  39          1HA       GLY  39  -8.198  -6.150 -12.257
  196   2HA   GLY  39          2HA       GLY  39  -9.943  -6.051 -12.448
  197    H    LYS  40           H        LYS  40 -11.111  -4.802 -10.766
  198    HA   LYS  40           HA       LYS  40  -9.605  -2.372 -10.158
  199   1HB   LYS  40          1HB       LYS  40 -12.325  -2.951 -10.929
  200   2HB   LYS  40          2HB       LYS  40 -12.300  -2.020  -9.436
  201   1HG   LYS  40          1HG       LYS  40 -11.910  -0.174 -10.583
  202   2HG   LYS  40          2HG       LYS  40 -10.425  -0.874 -11.231
  203   1HD   LYS  40          1HD       LYS  40 -12.369  -2.123 -12.708
  204   2HD   LYS  40          2HD       LYS  40 -13.034  -0.503 -12.494
  205   1HE   LYS  40          1HE       LYS  40 -10.720   0.328 -13.214
  206   2HE   LYS  40          2HE       LYS  40 -10.448  -1.320 -13.778
  207   1HZ   LYS  40          1HZ       LYS  40 -12.109   0.769 -14.902
  208   2HZ   LYS  40          2HZ       LYS  40 -12.846  -0.757 -14.850
  209   3HZ   LYS  40          3HZ       LYS  40 -11.370  -0.562 -15.661
  210    H    THR  41           H        THR  41  -8.601  -2.488  -8.254
  211    HA   THR  41           HA       THR  41  -9.413  -3.996  -6.032
  212    HB   THR  41           HB       THR  41  -7.892  -1.605  -5.339
  213    HG1  THR  41           HG1      THR  41  -6.621  -3.330  -7.202
  214   1HG2  THR  41          1HG2      THR  41  -6.945  -3.093  -3.966
  215   2HG2  THR  41          2HG2      THR  41  -6.440  -4.100  -5.322
  216   3HG2  THR  41          3HG2      THR  41  -8.042  -4.309  -4.619
  217    H    ARG  42           H        ARG  42 -11.143  -3.701  -4.800
  218    HA   ARG  42           HA       ARG  42 -11.790  -1.052  -3.806
  219   1HB   ARG  42          1HB       ARG  42 -13.261  -2.206  -5.942
  220   2HB   ARG  42          2HB       ARG  42 -14.276  -2.286  -4.507
  221   1HG   ARG  42          1HG       ARG  42 -13.091   0.282  -4.573
  222   2HG   ARG  42          2HG       ARG  42 -13.733  -0.061  -6.182
  223   1HD   ARG  42          1HD       ARG  42 -15.906  -0.520  -5.283
  224   2HD   ARG  42          2HD       ARG  42 -15.298  -0.418  -3.630
  225    HE   ARG  42           HE       ARG  42 -15.328   1.888  -3.775
  226   1HH1  ARG  42          1HH1      ARG  42 -15.998   0.479  -6.912
  227   2HH1  ARG  42          2HH1      ARG  42 -16.559   1.971  -7.602
  228   1HH2  ARG  42          1HH2      ARG  42 -16.044   3.854  -4.669
  229   2HH2  ARG  42          2HH2      ARG  42 -16.569   3.904  -6.334
  230    H    GLY  43           H        GLY  43 -12.633  -1.104  -1.772
  231   1HA   GLY  43          1HA       GLY  43 -13.980  -2.322  -0.112
  232   2HA   GLY  43          2HA       GLY  43 -13.185  -3.789  -0.670
  233    H    GLY  44           H        GLY  44 -13.036  -1.112   1.442
  234   1HA   GLY  44          1HA       GLY  44 -11.530  -1.824   3.409
  235   2HA   GLY  44          2HA       GLY  44 -10.265  -1.777   2.188
  236    H    GLU  45           H        GLU  45  -9.602  -0.231   4.080
  237    HA   GLU  45           HA       GLU  45 -10.224   2.471   3.162
  238   1HB   GLU  45          1HB       GLU  45  -9.890   2.645   5.971
  239   2HB   GLU  45          2HB       GLU  45 -11.319   3.032   5.025
  240   1HG   GLU  45          1HG       GLU  45 -12.368   1.426   6.129
  241   2HG   GLU  45          2HG       GLU  45 -11.373   0.265   5.253
  242    H    LEU  46           H        LEU  46  -8.692   3.563   5.449
  243    HA   LEU  46           HA       LEU  46  -6.088   3.343   4.253
  244   1HB   LEU  46          1HB       LEU  46  -7.469   5.255   5.776
  245   2HB   LEU  46          2HB       LEU  46  -6.117   4.752   6.770
  246    HG   LEU  46           HG       LEU  46  -4.598   5.811   5.471
  247   1HD1  LEU  46          1HD1      LEU  46  -4.586   4.494   3.567
  248   2HD1  LEU  46          2HD1      LEU  46  -6.261   4.878   3.168
  249   3HD1  LEU  46          3HD1      LEU  46  -5.001   6.090   2.941
  250   1HD2  LEU  46          1HD2      LEU  46  -5.510   7.831   5.540
  251   2HD2  LEU  46          2HD2      LEU  46  -6.194   7.527   3.942
  252   3HD2  LEU  46          3HD2      LEU  46  -7.134   7.157   5.386
  253    H    TYR  47           H        TYR  47  -6.032   0.981   4.758
  254    HA   TYR  47           HA       TYR  47  -4.529   0.609   7.240
  255   1HB   TYR  47          1HB       TYR  47  -6.656  -0.247   7.891
  256   2HB   TYR  47          2HB       TYR  47  -6.887  -1.053   6.343
  257    HD1  TYR  47           HD1      TYR  47  -6.246  -3.291   6.060
  258    HD2  TYR  47           HD2      TYR  47  -4.793  -1.107   9.412
  259    HE1  TYR  47           HE1      TYR  47  -5.304  -5.361   6.992
  260    HE2  TYR  47           HE2      TYR  47  -3.847  -3.171  10.352
  261    HH   TYR  47           HH       TYR  47  -3.959  -6.217   8.554
  262    H    ALA  48           H        ALA  48  -2.662  -0.355   6.848
  263    HA   ALA  48           HA       ALA  48  -2.442  -2.457   4.869
  264   1HB   ALA  48          1HB       ALA  48  -0.480  -0.228   4.581
  265   2HB   ALA  48          2HB       ALA  48  -0.952  -1.463   3.415
  266   3HB   ALA  48          3HB       ALA  48  -2.043  -0.123   3.770
  267    H    VAL  49           H        VAL  49  -0.959  -3.949   5.514
  268    HA   VAL  49           HA       VAL  49   0.958  -3.062   7.564
  269    HB   VAL  49           HB       VAL  49  -0.407  -4.654   8.646
  270   1HG1  VAL  49          1HG1      VAL  49  -0.413  -6.013   6.039
  271   2HG1  VAL  49          2HG1      VAL  49  -0.395  -7.066   7.454
  272   3HG1  VAL  49          3HG1      VAL  49  -1.682  -5.875   7.256
  273   1HG2  VAL  49          1HG2      VAL  49   2.307  -5.105   8.252
  274   2HG2  VAL  49          2HG2      VAL  49   1.300  -5.767   9.541
  275   3HG2  VAL  49          3HG2      VAL  49   1.560  -6.692   8.061
  276    H    LEU  50           H        LEU  50   2.888  -2.810   6.765
  277    HA   LEU  50           HA       LEU  50   3.747  -4.455   4.504
  278   1HB   LEU  50          1HB       LEU  50   4.088  -2.039   4.309
  279   2HB   LEU  50          2HB       LEU  50   5.032  -2.035   5.787
  280    HG   LEU  50           HG       LEU  50   6.616  -3.651   4.543
  281   1HD1  LEU  50          1HD1      LEU  50   5.116  -4.142   2.681
  282   2HD1  LEU  50          2HD1      LEU  50   5.168  -2.449   2.191
  283   3HD1  LEU  50          3HD1      LEU  50   6.631  -3.434   2.123
  284   1HD2  LEU  50          1HD2      LEU  50   7.251  -1.391   5.117
  285   2HD2  LEU  50          2HD2      LEU  50   7.796  -1.759   3.479
  286   3HD2  LEU  50          3HD2      LEU  50   6.364  -0.760   3.730
  287    H    HIS  51           H        HIS  51   4.578  -6.338   5.080
  288    HA   HIS  51           HA       HIS  51   6.085  -6.616   7.560
  289   1HB   HIS  51          1HB       HIS  51   5.067  -8.530   5.481
  290   2HB   HIS  51          2HB       HIS  51   6.283  -9.042   6.643
  291    HD1  HIS  51           HD1      HIS  51   5.500  -8.738   9.257
  292    HD2  HIS  51           HD2      HIS  51   2.516  -8.782   6.350
  293    HE1  HIS  51           HE1      HIS  51   3.360  -9.289  10.475
  294    HE2  HIS  51           HE2      HIS  51   1.581  -9.388   8.687
  295    H    SER  52           H        SER  52   8.228  -7.645   7.505
  296    HA   SER  52           HA       SER  52   9.716  -6.897   5.075
  297   1HB   SER  52          1HB       SER  52  11.325  -6.923   7.497
  298   2HB   SER  52          2HB       SER  52  11.113  -5.636   6.306
  299    HG   SER  52           HG       SER  52   8.862  -5.745   7.603
  300    H    THR  53           H        THR  53   9.377  -9.107   4.371
  301    HA   THR  53           HA       THR  53  10.519 -11.238   5.965
  302    HB   THR  53           HB       THR  53   9.915 -12.542   3.763
  303    HG1  THR  53           HG1      THR  53   9.258 -11.137   2.295
  304   1HG2  THR  53          1HG2      THR  53   8.292 -13.264   5.107
  305   2HG2  THR  53          2HG2      THR  53   7.350 -11.814   4.761
  306   3HG2  THR  53          3HG2      THR  53   8.483 -11.828   6.115
  307    H    ASN  54           H        ASN  54  12.559  -9.597   5.571
  308    HA   ASN  54           HA       ASN  54  14.356 -11.083   3.910
  309   1HB   ASN  54          1HB       ASN  54  14.659  -9.699   2.141
  310   2HB   ASN  54          2HB       ASN  54  13.035  -9.155   2.537
  311   1HD2  ASN  54          1HD2      ASN  54  12.788  -7.184   3.670
  312   2HD2  ASN  54          2HD2      ASN  54  14.035  -5.983   3.639
  313    H    VAL  55           H        VAL  55  16.580  -9.760   3.886
  314    HA   VAL  55           HA       VAL  55  17.342  -9.769   6.613
  315    HB   VAL  55           HB       VAL  55  19.300  -8.474   4.915
  316   1HG1  VAL  55          1HG1      VAL  55  20.595  -9.611   6.305
  317   2HG1  VAL  55          2HG1      VAL  55  19.159 -10.358   7.007
  318   3HG1  VAL  55          3HG1      VAL  55  19.989 -11.137   5.661
  319   1HG2  VAL  55          1HG2      VAL  55  19.516 -10.913   3.737
  320   2HG2  VAL  55          2HG2      VAL  55  17.768 -10.689   3.756
  321   3HG2  VAL  55          3HG2      VAL  55  18.801  -9.490   2.976
  322    H    ASN  56           H        ASN  56  17.675  -7.131   4.230
  323    HA   ASN  56           HA       ASN  56  17.821  -5.249   6.438
  324   1HB   ASN  56          1HB       ASN  56  18.237  -3.547   4.602
  325   2HB   ASN  56          2HB       ASN  56  19.457  -4.801   4.783
  326   1HD2  ASN  56          1HD2      ASN  56  17.290  -3.266   2.692
  327   2HD2  ASN  56          2HD2      ASN  56  17.496  -4.297   1.321
  328    H    ALA  57           H        ALA  57  15.948  -4.774   7.281
  329    HA   ALA  57           HA       ALA  57  13.560  -4.418   5.704
  330   1HB   ALA  57          1HB       ALA  57  13.299  -5.329   7.898
  331   2HB   ALA  57          2HB       ALA  57  14.157  -3.969   8.623
  332   3HB   ALA  57          3HB       ALA  57  12.572  -3.722   7.890
  333    H    ASP  58           H        ASP  58  15.056  -2.839   4.459
  334    HA   ASP  58           HA       ASP  58  15.230  -0.185   5.650
  335   1HB   ASP  58          1HB       ASP  58  16.639  -1.650   3.595
  336   2HB   ASP  58          2HB       ASP  58  16.089  -0.097   2.973
  337    H    MET  59           H        MET  59  12.652  -1.383   4.977
  338    HA   MET  59           HA       MET  59  11.798   0.415   2.810
  339   1HB   MET  59          1HB       MET  59  10.027  -1.188   2.289
  340   2HB   MET  59          2HB       MET  59  11.609  -1.934   2.150
  341   1HG   MET  59          1HG       MET  59  10.326  -2.233   4.770
  342   2HG   MET  59          2HG       MET  59   9.492  -3.019   3.430
  343   1HE   MET  59          1HE       MET  59  10.869  -4.090   1.590
  344   2HE   MET  59          2HE       MET  59  12.168  -5.245   1.896
  345   3HE   MET  59          3HE       MET  59  10.531  -5.591   2.453
  346    H    THR  60           H        THR  60  10.398   1.937   3.361
  347    HA   THR  60           HA       THR  60   8.989   1.607   5.927
  348    HB   THR  60           HB       THR  60   8.765   4.273   5.404
  349    HG1  THR  60           HG1      THR  60  11.123   3.305   4.188
  350   1HG2  THR  60          1HG2      THR  60  11.099   4.169   6.840
  351   2HG2  THR  60          2HG2      THR  60  10.418   2.566   7.109
  352   3HG2  THR  60          3HG2      THR  60   9.480   4.001   7.517
  353    H    LEU  61           H        LEU  61   6.830   1.579   5.927
  354    HA   LEU  61           HA       LEU  61   5.441   1.791   3.396
  355   1HB   LEU  61          1HB       LEU  61   4.747   0.007   4.856
  356   2HB   LEU  61          2HB       LEU  61   4.493   1.126   6.182
  357    HG   LEU  61           HG       LEU  61   2.786   2.176   4.379
  358   1HD1  LEU  61          1HD1      LEU  61   2.654  -0.790   3.873
  359   2HD1  LEU  61          2HD1      LEU  61   1.631   0.467   3.175
  360   3HD1  LEU  61          3HD1      LEU  61   3.341   0.383   2.749
  361   1HD2  LEU  61          1HD2      LEU  61   2.231  -0.102   6.278
  362   2HD2  LEU  61          2HD2      LEU  61   2.225   1.620   6.662
  363   3HD2  LEU  61          3HD2      LEU  61   1.009   0.957   5.570
  364    H    ILE  62           H        ILE  62   5.030   3.764   2.685
  365    HA   ILE  62           HA       ILE  62   4.246   5.769   4.682
  366    HB   ILE  62           HB       ILE  62   6.445   6.312   3.941
  367   1HG1  ILE  62          1HG1      ILE  62   5.301   8.316   2.221
  368   2HG1  ILE  62          2HG1      ILE  62   4.244   8.026   3.599
  369   1HG2  ILE  62          1HG2      ILE  62   7.002   5.338   1.990
  370   2HG2  ILE  62          2HG2      ILE  62   5.411   5.596   1.274
  371   3HG2  ILE  62          3HG2      ILE  62   6.574   6.922   1.344
  372   1HD1  ILE  62          1HD1      ILE  62   5.834   8.721   5.122
  373   2HD1  ILE  62          2HD1      ILE  62   7.171   8.444   4.008
  374   3HD1  ILE  62          3HD1      ILE  62   6.092   9.818   3.765
  375    H    LEU  63           H        LEU  63   2.468   6.870   4.361
  376    HA   LEU  63           HA       LEU  63   0.689   6.158   2.219
  377   1HB   LEU  63          1HB       LEU  63   0.351   6.931   4.792
  378   2HB   LEU  63          2HB       LEU  63   0.051   8.453   3.973
  379    HG   LEU  63           HG       LEU  63  -1.443   5.860   3.556
  380   1HD1  LEU  63          1HD1      LEU  63  -2.357   8.478   4.738
  381   2HD1  LEU  63          2HD1      LEU  63  -3.302   6.998   4.579
  382   3HD1  LEU  63          3HD1      LEU  63  -1.917   7.047   5.670
  383   1HD2  LEU  63          1HD2      LEU  63  -1.797   6.715   1.510
  384   2HD2  LEU  63          2HD2      LEU  63  -2.941   7.757   2.355
  385   3HD2  LEU  63          3HD2      LEU  63  -1.318   8.344   1.987
  386    H    LEU  64           H        LEU  64   0.477   7.187   0.365
  387    HA   LEU  64           HA       LEU  64   2.226   9.503  -0.017
  388   1HB   LEU  64          1HB       LEU  64   1.883   7.016  -1.487
  389   2HB   LEU  64          2HB       LEU  64   1.880   8.441  -2.509
  390    HG   LEU  64           HG       LEU  64   4.105   7.192  -1.987
  391   1HD1  LEU  64          1HD1      LEU  64   4.635   8.947  -3.245
  392   2HD1  LEU  64          2HD1      LEU  64   3.501  10.007  -2.407
  393   3HD1  LEU  64          3HD1      LEU  64   5.093   9.707  -1.722
  394   1HD2  LEU  64          1HD2      LEU  64   4.098   7.142   0.364
  395   2HD2  LEU  64          2HD2      LEU  64   5.291   8.358  -0.091
  396   3HD2  LEU  64          3HD2      LEU  64   3.697   8.857   0.471
  397    H    ARG  65           H        ARG  65   1.816  10.606  -2.042
  398    HA   ARG  65           HA       ARG  65  -0.722  11.908  -1.743
  399   1HB   ARG  65          1HB       ARG  65   1.938  12.704  -2.201
  400   2HB   ARG  65          2HB       ARG  65   1.008  13.215  -3.603
  401   1HG   ARG  65          1HG       ARG  65  -0.332  14.636  -2.351
  402   2HG   ARG  65          2HG       ARG  65   0.009  13.788  -0.841
  403   1HD   ARG  65          1HD       ARG  65   1.599  15.271  -0.398
  404   2HD   ARG  65          2HD       ARG  65   2.475  14.735  -1.830
  405    HE   ARG  65           HE       ARG  65   0.434  16.871  -1.913
  406   1HH1  ARG  65          1HH1      ARG  65   3.607  15.637  -2.697
  407   2HH1  ARG  65          2HH1      ARG  65   3.998  16.933  -3.779
  408   1HH2  ARG  65          1HH2      ARG  65   0.932  18.602  -3.321
  409   2HH2  ARG  65          2HH2      ARG  65   2.481  18.647  -4.116
  410    H    ASN  66           H        ASN  66  -0.677  13.279  -4.219
  411    HA   ASN  66           HA       ASN  66  -2.665  12.058  -5.610
  412   1HB   ASN  66          1HB       ASN  66  -2.440  13.820  -7.059
  413   2HB   ASN  66          2HB       ASN  66  -1.310  14.392  -5.834
  414   1HD2  ASN  66          1HD2      ASN  66   0.976  13.132  -6.204
  415   2HD2  ASN  66          2HD2      ASN  66   1.587  13.197  -7.825
  416    H    VAL  67           H        VAL  67  -2.806  11.082  -7.694
  417    HA   VAL  67           HA       VAL  67  -0.364   9.774  -8.665
  418    HB   VAL  67           HB       VAL  67  -1.575   7.994  -7.703
  419   1HG1  VAL  67          1HG1      VAL  67  -3.698   8.816  -7.239
  420   2HG1  VAL  67          2HG1      VAL  67  -3.999   9.264  -8.917
  421   3HG1  VAL  67          3HG1      VAL  67  -4.000   7.564  -8.446
  422   1HG2  VAL  67          1HG2      VAL  67  -2.622   7.590 -10.435
  423   2HG2  VAL  67          2HG2      VAL  67  -0.901   7.952 -10.293
  424   3HG2  VAL  67          3HG2      VAL  67  -1.580   6.561  -9.451
  425    H    GLY  68           H        GLY  68   0.118  10.366 -10.661
  426   1HA   GLY  68          1HA       GLY  68  -0.948  10.472 -12.991
  427   2HA   GLY  68          2HA       GLY  68  -1.981  11.691 -12.252
  428    H    GLY  69           H        GLY  69  -0.095  12.959 -10.633
  429   1HA   GLY  69          1HA       GLY  69   1.368  14.536 -12.534
  430   2HA   GLY  69          2HA       GLY  69   1.402  14.710 -10.782
  431    H    ASN  70           H        ASN  70   3.664  14.827 -12.545
  432    HA   ASN  70           HA       ASN  70   5.000  12.260 -12.384
  433   1HB   ASN  70          1HB       ASN  70   5.532  14.867 -13.706
  434   2HB   ASN  70          2HB       ASN  70   6.936  13.891 -13.286
  435   1HD2  ASN  70          1HD2      ASN  70   7.596  13.048 -15.146
  436   2HD2  ASN  70          2HD2      ASN  70   6.599  12.132 -16.241
  437    H    GLY  71           H        GLY  71   4.404  12.999  -9.889
  438   1HA   GLY  71          1HA       GLY  71   6.969  13.177  -8.630
  439   2HA   GLY  71          2HA       GLY  71   6.022  14.644  -8.415
  440    H    TRP  72           H        TRP  72   6.806  11.827  -6.992
  441    HA   TRP  72           HA       TRP  72   4.162  11.445  -5.774
  442   1HB   TRP  72          1HB       TRP  72   6.449   9.621  -6.349
  443   2HB   TRP  72          2HB       TRP  72   5.486   9.289  -4.910
  444    HD1  TRP  72           HD1      TRP  72   5.519   8.670  -8.544
  445    HE1  TRP  72           HE1      TRP  72   3.284   7.689  -9.338
  446    HE3  TRP  72           HE3      TRP  72   2.829   9.475  -4.364
  447    HZ2  TRP  72           HZ2      TRP  72   0.692   7.286  -8.268
  448    HZ3  TRP  72           HZ3      TRP  72   0.496   8.748  -4.275
  449    HH2  TRP  72           HH2      TRP  72  -0.558   7.682  -6.185
  450    H    GLY  73           H        GLY  73   4.280  13.127  -4.290
  451   1HA   GLY  73          1HA       GLY  73   6.531  13.346  -2.488
  452   2HA   GLY  73          2HA       GLY  73   5.078  14.334  -2.469
  453    H    GLU  74           H        GLU  74   6.702  12.606  -0.460
  454    HA   GLU  74           HA       GLU  74   4.746  10.647   0.390
  455   1HB   GLU  74          1HB       GLU  74   6.414  10.149   2.174
  456   2HB   GLU  74          2HB       GLU  74   7.051  10.005   0.542
  457   1HG   GLU  74          1HG       GLU  74   7.546  12.650   1.354
  458   2HG   GLU  74          2HG       GLU  74   7.971  11.612   2.716
  459    H    ILE  75           H        ILE  75   3.839  10.568   2.520
  460    HA   ILE  75           HA       ILE  75   3.669  13.178   3.863
  461    HB   ILE  75           HB       ILE  75   1.274  11.367   3.646
  462   1HG1  ILE  75          1HG1      ILE  75   1.541  13.821   1.951
  463   2HG1  ILE  75          2HG1      ILE  75   2.257  12.312   1.390
  464   1HG2  ILE  75          1HG2      ILE  75   1.135  12.940   5.425
  465   2HG2  ILE  75          2HG2      ILE  75   1.689  14.256   4.389
  466   3HG2  ILE  75          3HG2      ILE  75   0.102  13.531   4.125
  467   1HD1  ILE  75          1HD1      ILE  75  -0.523  13.154   1.457
  468   2HD1  ILE  75          2HD1      ILE  75   0.266  11.906   0.493
  469   3HD1  ILE  75          3HD1      ILE  75  -0.265  11.546   2.134
  470    H    LYS  76           H        LYS  76   2.138  10.013   4.509
  471    HA   LYS  76           HA       LYS  76   3.074  10.309   7.287
  472   1HB   LYS  76          1HB       LYS  76   0.567  10.088   6.631
  473   2HB   LYS  76          2HB       LYS  76   0.938   8.381   6.428
  474   1HG   LYS  76          1HG       LYS  76   1.840   9.578   8.961
  475   2HG   LYS  76          2HG       LYS  76   0.092   9.477   8.733
  476   1HD   LYS  76          1HD       LYS  76   0.240   7.101   8.338
  477   2HD   LYS  76          2HD       LYS  76   2.004   7.167   8.409
  478   1HE   LYS  76          1HE       LYS  76   0.391   8.144  10.721
  479   2HE   LYS  76          2HE       LYS  76   0.617   6.411  10.492
  480   1HZ   LYS  76          1HZ       LYS  76   2.337   7.120  11.904
  481   2HZ   LYS  76          2HZ       LYS  76   2.696   8.475  10.947
  482   3HZ   LYS  76          3HZ       LYS  76   3.072   6.921  10.389
  483    H    ARG  77           H        ARG  77   4.734   9.085   7.909
  484    HA   ARG  77           HA       ARG  77   5.328   6.664   6.372
  485   1HB   ARG  77          1HB       ARG  77   7.056   8.502   6.820
  486   2HB   ARG  77          2HB       ARG  77   7.095   7.902   8.472
  487   1HG   ARG  77          1HG       ARG  77   8.365   6.154   7.925
  488   2HG   ARG  77          2HG       ARG  77   7.417   5.796   6.481
  489   1HD   ARG  77          1HD       ARG  77   9.325   6.425   5.442
  490   2HD   ARG  77          2HD       ARG  77   8.637   8.034   5.662
  491    HE   ARG  77           HE       ARG  77  10.028   8.055   7.793
  492   1HH1  ARG  77          1HH1      ARG  77  10.965   6.259   4.930
  493   2HH1  ARG  77          2HH1      ARG  77  12.665   6.394   5.254
  494   1HH2  ARG  77          1HH2      ARG  77  12.282   8.226   8.208
  495   2HH2  ARG  77          2HH2      ARG  77  13.410   7.496   7.102
  496    H    ASN  78           H        ASN  78   5.540   4.658   7.258
  497    HA   ASN  78           HA       ASN  78   5.346   4.353  10.171
  498   1HB   ASN  78          1HB       ASN  78   3.190   3.732   8.691
  499   2HB   ASN  78          2HB       ASN  78   4.090   2.230   8.498
  500   1HD2  ASN  78          1HD2      ASN  78   2.428   1.164   9.649
  501   2HD2  ASN  78          2HD2      ASN  78   2.334   1.258  11.379
  502    H    ASP  79           H        ASP  79   6.419   2.415  10.960
  503    HA   ASP  79           HA       ASP  79   8.771   1.923   9.363
  504   1HB   ASP  79          1HB       ASP  79   9.426   0.505  11.417
  505   2HB   ASP  79          2HB       ASP  79   9.361   2.256  11.580
  506    H    ILE  80           H        ILE  80   9.570  -0.567  10.132
  507    HA   ILE  80           HA       ILE  80   8.197  -2.111   8.138
  508    HB   ILE  80           HB       ILE  80   9.947  -3.828   8.653
  509   1HG1  ILE  80          1HG1      ILE  80  11.800  -2.193  10.032
  510   2HG1  ILE  80          2HG1      ILE  80  10.300  -2.136  10.952
  511   1HG2  ILE  80          1HG2      ILE  80  11.185  -1.148   8.150
  512   2HG2  ILE  80          2HG2      ILE  80  11.611  -2.713   7.455
  513   3HG2  ILE  80          3HG2      ILE  80  10.110  -1.914   6.981
  514   1HD1  ILE  80          1HD1      ILE  80  10.323  -4.425  11.356
  515   2HD1  ILE  80          2HD1      ILE  80  11.460  -4.740  10.047
  516   3HD1  ILE  80          3HD1      ILE  80  12.013  -3.948  11.521
  517    H    ASP  81           H        ASP  81   7.301  -4.113   8.342
  518    HA   ASP  81           HA       ASP  81   5.912  -5.673   9.195
  519   1HB   ASP  81          1HB       ASP  81   8.248  -5.880  10.638
  520   2HB   ASP  81          2HB       ASP  81   7.031  -5.734  11.903
  521    H    LYS  82           H        LYS  82   5.015  -3.099   9.263
  522    HA   LYS  82           HA       LYS  82   3.583  -2.932  11.836
  523   1HB   LYS  82          1HB       LYS  82   4.832  -0.813  10.133
  524   2HB   LYS  82          2HB       LYS  82   3.469  -0.412  11.169
  525   1HG   LYS  82          1HG       LYS  82   5.974  -1.729  12.171
  526   2HG   LYS  82          2HG       LYS  82   5.733   0.019  12.139
  527   1HD   LYS  82          1HD       LYS  82   4.486  -0.040  13.982
  528   2HD   LYS  82          2HD       LYS  82   3.480  -1.338  13.334
  529   1HE   LYS  82          1HE       LYS  82   4.594  -2.023  15.397
  530   2HE   LYS  82          2HE       LYS  82   5.141  -2.984  14.024
  531   1HZ   LYS  82          1HZ       LYS  82   7.216  -2.338  14.382
  532   2HZ   LYS  82          2HZ       LYS  82   6.707  -1.573  15.807
  533   3HZ   LYS  82          3HZ       LYS  82   6.787  -0.697  14.352
  534    HA   PRO  83           HA       PRO  83  -0.070  -2.818   9.217
  535   1HB   PRO  83          1HB       PRO  83  -1.656  -3.227  11.542
  536   2HB   PRO  83          2HB       PRO  83  -1.209  -4.432  10.335
  537   1HG   PRO  83          1HG       PRO  83  -0.361  -4.405  12.989
  538   2HG   PRO  83          2HG       PRO  83   0.386  -5.327  11.675
  539   1HD   PRO  83          1HD       PRO  83   1.222  -2.731  12.887
  540   2HD   PRO  83          2HD       PRO  83   2.217  -4.057  12.246
  541    H    LEU  84           H        LEU  84  -0.336  -0.718   8.685
  542    HA   LEU  84           HA       LEU  84  -0.514   1.311  10.737
  543   1HB   LEU  84          1HB       LEU  84   0.791   1.726   8.721
  544   2HB   LEU  84          2HB       LEU  84  -0.636   1.503   7.729
  545    HG   LEU  84           HG       LEU  84  -1.649   3.511   8.746
  546   1HD1  LEU  84          1HD1      LEU  84  -0.110   3.171  10.855
  547   2HD1  LEU  84          2HD1      LEU  84   0.964   4.247   9.962
  548   3HD1  LEU  84          3HD1      LEU  84  -0.666   4.775  10.378
  549   1HD2  LEU  84          1HD2      LEU  84   1.089   3.871   7.540
  550   2HD2  LEU  84          2HD2      LEU  84  -0.447   3.780   6.682
  551   3HD2  LEU  84          3HD2      LEU  84  -0.099   5.160   7.723
  552    H    LYS  85           H        LYS  85  -2.319   1.937  11.639
  553    HA   LYS  85           HA       LYS  85  -4.818   1.794  10.078
  554   1HB   LYS  85          1HB       LYS  85  -4.595   0.367  12.214
  555   2HB   LYS  85          2HB       LYS  85  -4.668   1.890  13.088
  556   1HG   LYS  85          1HG       LYS  85  -6.857   1.043  13.088
  557   2HG   LYS  85          2HG       LYS  85  -6.846   2.331  11.881
  558   1HD   LYS  85          1HD       LYS  85  -6.831   0.795  10.095
  559   2HD   LYS  85          2HD       LYS  85  -6.401  -0.552  11.152
  560   1HE   LYS  85          1HE       LYS  85  -8.545  -1.004  11.509
  561   2HE   LYS  85          2HE       LYS  85  -8.829   0.641  12.077
  562   1HZ   LYS  85          1HZ       LYS  85  -9.516  -0.570   9.575
  563   2HZ   LYS  85          2HZ       LYS  85  -8.679   0.881   9.363
  564   3HZ   LYS  85          3HZ       LYS  85 -10.098   0.855  10.277
  565    H    TYR  86           H        TYR  86  -5.175   3.784   9.293
  566    HA   TYR  86           HA       TYR  86  -4.235   6.118  10.729
  567   1HB   TYR  86          1HB       TYR  86  -4.151   5.750   8.178
  568   2HB   TYR  86          2HB       TYR  86  -5.862   6.165   8.199
  569    HD1  TYR  86           HD1      TYR  86  -6.456   8.371   7.904
  570    HD2  TYR  86           HD2      TYR  86  -2.586   7.483   9.426
  571    HE1  TYR  86           HE1      TYR  86  -5.887  10.761   7.825
  572    HE2  TYR  86           HE2      TYR  86  -2.002   9.871   9.350
  573    HH   TYR  86           HH       TYR  86  -4.218  12.268   7.980
  574    H    GLU  87           H        GLU  87  -5.490   7.673  11.682
  575    HA   GLU  87           HA       GLU  87  -8.225   6.877  12.307
  576   1HB   GLU  87          1HB       GLU  87  -6.152   8.136  13.740
  577   2HB   GLU  87          2HB       GLU  87  -7.400   9.356  13.526
  578   1HG   GLU  87          1HG       GLU  87  -8.503   6.802  14.338
  579   2HG   GLU  87          2HG       GLU  87  -7.308   7.413  15.485
  580    H    ASP  88           H        ASP  88  -9.937   7.778  11.412
  581    HA   ASP  88           HA       ASP  88 -11.313   9.160  10.249
  582   1HB   ASP  88          1HB       ASP  88  -9.600  10.932  11.644
  583   2HB   ASP  88          2HB       ASP  88  -9.756  11.560  10.007
  584    H    TYR  89           H        TYR  89 -10.570   7.624   8.506
  585    HA   TYR  89           HA       TYR  89  -8.814   8.786   6.521
  586   1HB   TYR  89          1HB       TYR  89 -10.006   6.607   5.300
  587   2HB   TYR  89          2HB       TYR  89  -8.452   6.623   6.115
  588    HD1  TYR  89           HD1      TYR  89 -12.089   6.095   6.835
  589    HD2  TYR  89           HD2      TYR  89  -8.066   5.147   7.828
  590    HE1  TYR  89           HE1      TYR  89 -12.883   4.369   8.396
  591    HE2  TYR  89           HE2      TYR  89  -8.849   3.427   9.393
  592    HH   TYR  89           HH       TYR  89 -11.608   2.032   9.333
  593    H    TYR  90           H        TYR  90 -12.120   8.929   7.240
  594    HA   TYR  90           HA       TYR  90 -13.085   9.247   4.562
  595   1HB   TYR  90          1HB       TYR  90 -14.909  10.527   6.262
  596   2HB   TYR  90          2HB       TYR  90 -15.025   8.894   5.625
  597    HD1  TYR  90           HD1      TYR  90 -14.390  10.938   8.557
  598    HD2  TYR  90           HD2      TYR  90 -14.302   6.976   7.013
  599    HE1  TYR  90           HE1      TYR  90 -14.309  10.050  10.848
  600    HE2  TYR  90           HE2      TYR  90 -14.214   6.077   9.300
  601    HH   TYR  90           HH       TYR  90 -14.249   8.245  12.128
  602    H    THR  91           H        THR  91 -13.544  11.103   3.463
  603    HA   THR  91           HA       THR  91 -13.476  13.285   2.833
  604    HB   THR  91           HB       THR  91 -12.671  14.088   5.628
  605    HG1  THR  91           HG1      THR  91 -14.952  12.873   4.810
  606   1HG2  THR  91          1HG2      THR  91 -12.943  16.177   4.893
  607   2HG2  THR  91          2HG2      THR  91 -14.543  15.794   4.258
  608   3HG2  THR  91          3HG2      THR  91 -13.114  15.528   3.261
  609    H    SER  92           H        SER  92 -10.828  12.246   4.937
  610    HA   SER  92           HA       SER  92  -8.867  13.924   3.701
  611   1HB   SER  92          1HB       SER  92  -7.932  11.501   5.089
  612   2HB   SER  92          2HB       SER  92  -7.529  13.194   5.379
  613    HG   SER  92           HG       SER  92  -9.009  11.760   6.905
  614    H    GLY  93           H        GLY  93 -10.453  11.168   2.680
  615   1HA   GLY  93          1HA       GLY  93  -8.254   9.874   1.339
  616   2HA   GLY  93          2HA       GLY  93  -9.957   9.455   1.203
  617    H    LEU  94           H        LEU  94  -7.494  11.717   0.134
  618    HA   LEU  94           HA       LEU  94  -9.101  12.501  -2.171
  619   1HB   LEU  94          1HB       LEU  94  -7.023  13.698  -0.646
  620   2HB   LEU  94          2HB       LEU  94  -6.401  13.466  -2.268
  621    HG   LEU  94           HG       LEU  94  -9.071  14.635  -2.259
  622   1HD1  LEU  94          1HD1      LEU  94  -7.818  15.496  -0.113
  623   2HD1  LEU  94          2HD1      LEU  94  -6.973  16.507  -1.287
  624   3HD1  LEU  94          3HD1      LEU  94  -8.728  16.600  -1.143
  625   1HD2  LEU  94          1HD2      LEU  94  -6.887  14.516  -3.926
  626   2HD2  LEU  94          2HD2      LEU  94  -8.294  15.559  -4.138
  627   3HD2  LEU  94          3HD2      LEU  94  -6.848  16.180  -3.338
  628    H    SER  95           H        SER  95  -6.382  12.816  -3.600
  629    HA   SER  95           HA       SER  95  -6.175  10.123  -4.653
  630   1HB   SER  95          1HB       SER  95  -4.213  12.189  -5.476
  631   2HB   SER  95          2HB       SER  95  -5.178  11.089  -6.464
  632    HG   SER  95           HG       SER  95  -6.991  12.436  -6.065
  633    H    TRP  96           H        TRP  96  -4.821   8.662  -3.800
  634    HA   TRP  96           HA       TRP  96  -2.331   9.463  -2.588
  635   1HB   TRP  96          1HB       TRP  96  -2.837   8.614  -0.368
  636   2HB   TRP  96          2HB       TRP  96  -4.004   9.860  -0.794
  637    HD1  TRP  96           HD1      TRP  96  -6.549   9.140  -0.959
  638    HE1  TRP  96           HE1      TRP  96  -7.807   6.973  -0.335
  639    HE3  TRP  96           HE3      TRP  96  -2.535   6.094  -0.331
  640    HZ2  TRP  96           HZ2      TRP  96  -7.143   4.292   0.336
  641    HZ3  TRP  96           HZ3      TRP  96  -2.912   3.731   0.300
  642    HH2  TRP  96           HH2      TRP  96  -5.169   2.857   0.625
  643    H    ILE  97           H        ILE  97  -1.094   7.518  -1.798
  644    HA   ILE  97           HA       ILE  97  -1.998   4.965  -2.899
  645    HB   ILE  97           HB       ILE  97  -0.455   6.543  -4.477
  646   1HG1  ILE  97          1HG1      ILE  97  -1.667   4.297  -4.878
  647   2HG1  ILE  97          2HG1      ILE  97  -0.301   4.719  -5.902
  648   1HG2  ILE  97          1HG2      ILE  97   1.572   6.640  -3.474
  649   2HG2  ILE  97          2HG2      ILE  97   1.399   5.060  -2.705
  650   3HG2  ILE  97          3HG2      ILE  97   1.797   5.166  -4.420
  651   1HD1  ILE  97          1HD1      ILE  97   0.521   2.719  -5.436
  652   2HD1  ILE  97          2HD1      ILE  97   0.824   3.306  -3.802
  653   3HD1  ILE  97          3HD1      ILE  97  -0.673   2.450  -4.167
  654    H    TRP  98           H        TRP  98  -0.794   3.112  -2.104
  655    HA   TRP  98           HA       TRP  98   0.629   3.593   0.399
  656   1HB   TRP  98          1HB       TRP  98  -0.296   1.100  -1.022
  657   2HB   TRP  98          2HB       TRP  98   0.800   1.025   0.348
  658    HD1  TRP  98           HD1      TRP  98  -2.536   0.306  -0.224
  659    HE1  TRP  98           HE1      TRP  98  -4.071   0.775   1.792
  660    HE3  TRP  98           HE3      TRP  98   0.537   3.424   2.459
  661    HZ2  TRP  98           HZ2      TRP  98  -3.988   2.248   4.181
  662    HZ3  TRP  98           HZ3      TRP  98  -0.276   4.296   4.601
  663    HH2  TRP  98           HH2      TRP  98  -2.489   3.721   5.442
  664    H    LYS  99           H        LYS  99   2.735   4.143   0.161
  665    HA   LYS  99           HA       LYS  99   4.149   3.041  -2.167
  666   1HB   LYS  99          1HB       LYS  99   3.861   5.586  -1.708
  667   2HB   LYS  99          2HB       LYS  99   5.155   5.342  -0.546
  668   1HG   LYS  99          1HG       LYS  99   6.669   5.430  -2.154
  669   2HG   LYS  99          2HG       LYS  99   5.867   4.128  -3.037
  670   1HD   LYS  99          1HD       LYS  99   4.742   5.555  -4.390
  671   2HD   LYS  99          2HD       LYS  99   4.612   6.802  -3.150
  672   1HE   LYS  99          1HE       LYS  99   6.301   7.883  -4.092
  673   2HE   LYS  99          2HE       LYS  99   7.347   6.506  -3.750
  674   1HZ   LYS  99          1HZ       LYS  99   5.603   6.315  -6.086
  675   2HZ   LYS  99          2HZ       LYS  99   7.181   5.732  -5.855
  676   3HZ   LYS  99          3HZ       LYS  99   6.926   7.372  -6.186
  677    H    ILE 100           H        ILE 100   5.888   1.818  -1.949
  678    HA   ILE 100           HA       ILE 100   7.005   1.376   0.718
  679    HB   ILE 100           HB       ILE 100   8.024  -0.014  -1.724
  680   1HG1  ILE 100          1HG1      ILE 100   5.826  -1.357  -0.271
  681   2HG1  ILE 100          2HG1      ILE 100   5.346  -0.012  -1.302
  682   1HG2  ILE 100          1HG2      ILE 100   9.262  -0.862  -0.058
  683   2HG2  ILE 100          2HG2      ILE 100   8.117  -0.353   1.183
  684   3HG2  ILE 100          3HG2      ILE 100   7.836  -1.843   0.280
  685   1HD1  ILE 100          1HD1      ILE 100   6.090  -2.687  -2.010
  686   2HD1  ILE 100          2HD1      ILE 100   5.366  -1.419  -3.003
  687   3HD1  ILE 100          3HD1      ILE 100   7.121  -1.513  -2.833
  688    H    LYS 101           H        LYS 101   8.533   2.765   1.305
  689    HA   LYS 101           HA       LYS 101  10.344   3.837  -0.740
  690   1HB   LYS 101          1HB       LYS 101   9.093   5.355   0.895
  691   2HB   LYS 101          2HB       LYS 101  10.155   4.715   2.142
  692   1HG   LYS 101          1HG       LYS 101  11.222   6.661   1.543
  693   2HG   LYS 101          2HG       LYS 101  12.064   5.467   0.556
  694   1HD   LYS 101          1HD       LYS 101  11.651   7.022  -1.053
  695   2HD   LYS 101          2HD       LYS 101  10.138   6.120  -1.164
  696   1HE   LYS 101          1HE       LYS 101   8.916   7.804  -0.273
  697   2HE   LYS 101          2HE       LYS 101  10.205   8.304   0.820
  698   1HZ   LYS 101          1HZ       LYS 101   9.975   8.934  -2.080
  699   2HZ   LYS 101          2HZ       LYS 101  11.347   9.277  -1.138
  700   3HZ   LYS 101          3HZ       LYS 101   9.864  10.022  -0.777
  701    H    ASN 102           H        ASN 102  12.118   2.693  -1.046
  702    HA   ASN 102           HA       ASN 102  13.249   1.194   1.212
  703   1HB   ASN 102          1HB       ASN 102  12.688  -0.152  -0.743
  704   2HB   ASN 102          2HB       ASN 102  13.688   0.876  -1.767
  705   1HD2  ASN 102          1HD2      ASN 102  14.806  -1.037  -2.374
  706   2HD2  ASN 102          2HD2      ASN 102  16.028  -1.705  -1.346
  707    H    ASN 103           H        ASN 103  15.197   1.655   2.003
  708    HA   ASN 103           HA       ASN 103  16.262   4.238   1.309
  709   1HB   ASN 103          1HB       ASN 103  17.174   2.268   3.409
  710   2HB   ASN 103          2HB       ASN 103  17.697   3.944   3.273
  711   1HD2  ASN 103          1HD2      ASN 103  15.978   2.114   5.147
  712   2HD2  ASN 103          2HD2      ASN 103  14.671   3.180   5.577
  713    H    SER 104           H        SER 104  17.446   0.893   1.139
  714    HA   SER 104           HA       SER 104  19.999   1.975   0.163
  715   1HB   SER 104          1HB       SER 104  19.498  -0.705   1.464
  716   2HB   SER 104          2HB       SER 104  21.065  -0.044   0.990
  717    HG   SER 104           HG       SER 104  19.573   0.433   3.228
  718    H    SER 105           H        SER 105  21.223   0.075  -1.084
  719    HA   SER 105           HA       SER 105  19.808   0.101  -3.577
  720   1HB   SER 105          1HB       SER 105  22.264  -1.307  -3.790
  721   2HB   SER 105          2HB       SER 105  21.911   0.349  -4.290
  722    HG   SER 105           HG       SER 105  23.414   0.708  -2.814
  723    H    GLU 106           H        GLU 106  19.851  -2.135  -1.095
  724    HA   GLU 106           HA       GLU 106  20.097  -4.513  -2.688
  725   1HB   GLU 106          1HB       GLU 106  19.009  -4.245   0.119
  726   2HB   GLU 106          2HB       GLU 106  19.541  -5.729  -0.660
  727   1HG   GLU 106          1HG       GLU 106  21.271  -3.381   0.072
  728   2HG   GLU 106          2HG       GLU 106  21.193  -4.926   0.915
  729    H    THR 107           H        THR 107  18.540  -5.581  -3.728
  730    HA   THR 107           HA       THR 107  15.870  -4.647  -3.861
  731    HB   THR 107           HB       THR 107  16.314  -7.481  -4.537
  732    HG1  THR 107           HG1      THR 107  17.709  -6.981  -6.279
  733   1HG2  THR 107          1HG2      THR 107  14.349  -6.161  -5.254
  734   2HG2  THR 107          2HG2      THR 107  15.261  -6.805  -6.620
  735   3HG2  THR 107          3HG2      THR 107  15.418  -5.105  -6.177
  736    H    SER 108           H        SER 108  14.664  -4.646  -2.064
  737    HA   SER 108           HA       SER 108  15.103  -6.768  -0.094
  738   1HB   SER 108          1HB       SER 108  13.390  -4.390   0.468
  739   2HB   SER 108          2HB       SER 108  14.499  -5.256   1.534
  740    HG   SER 108           HG       SER 108  15.816  -4.134  -0.555
  741    H    ASN 109           H        ASN 109  13.562  -8.188   0.510
  742    HA   ASN 109           HA       ASN 109  11.221  -8.364  -1.161
  743   1HB   ASN 109          1HB       ASN 109  12.426 -10.404  -0.658
  744   2HB   ASN 109          2HB       ASN 109  12.224 -10.139   1.070
  745   1HD2  ASN 109          1HD2      ASN 109   9.892  -9.831  -1.583
  746   2HD2  ASN 109          2HD2      ASN 109   8.789 -11.009  -0.967
  747    H    TYR 110           H        TYR 110   9.470  -7.246  -0.722
  748    HA   TYR 110           HA       TYR 110   8.820  -6.639   2.075
  749   1HB   TYR 110          1HB       TYR 110   7.286  -4.936   1.176
  750   2HB   TYR 110          2HB       TYR 110   8.925  -4.686   0.594
  751    HD1  TYR 110           HD1      TYR 110   5.603  -6.033  -0.396
  752    HD2  TYR 110           HD2      TYR 110   9.365  -4.546  -1.738
  753    HE1  TYR 110           HE1      TYR 110   4.760  -5.988  -2.703
  754    HE2  TYR 110           HE2      TYR 110   8.526  -4.501  -4.045
  755    HH   TYR 110           HH       TYR 110   6.684  -4.669  -5.365
  756    H    SER 111           H        SER 111   6.832  -7.202   2.947
  757    HA   SER 111           HA       SER 111   5.107  -8.875   1.245
  758   1HB   SER 111          1HB       SER 111   4.640  -9.513   3.968
  759   2HB   SER 111          2HB       SER 111   5.376 -10.534   2.734
  760    HG   SER 111           HG       SER 111   7.335 -10.053   3.456
  761    H    LEU 112           H        LEU 112   3.734  -7.258   0.650
  762    HA   LEU 112           HA       LEU 112   2.691  -5.488   2.752
  763   1HB   LEU 112          1HB       LEU 112   3.830  -4.549   0.722
  764   2HB   LEU 112          2HB       LEU 112   2.487  -5.146  -0.233
  765    HG   LEU 112           HG       LEU 112   1.008  -3.571   0.603
  766   1HD1  LEU 112          1HD1      LEU 112   1.084  -2.494   2.658
  767   2HD1  LEU 112          2HD1      LEU 112   1.722  -4.097   3.024
  768   3HD1  LEU 112          3HD1      LEU 112   2.823  -2.731   2.830
  769   1HD2  LEU 112          1HD2      LEU 112   3.741  -2.325   0.509
  770   2HD2  LEU 112          2HD2      LEU 112   2.544  -2.433  -0.785
  771   3HD2  LEU 112          3HD2      LEU 112   2.246  -1.390   0.607
  772    H    ASP 113           H        ASP 113   0.835  -6.023   3.598
  773    HA   ASP 113           HA       ASP 113  -1.220  -7.355   1.970
  774   1HB   ASP 113          1HB       ASP 113  -0.368  -8.000   4.436
  775   2HB   ASP 113          2HB       ASP 113  -1.594  -6.823   4.885
  776    H    ALA 114           H        ALA 114  -2.006  -5.612   0.778
  777    HA   ALA 114           HA       ALA 114  -3.593  -3.679   2.264
  778   1HB   ALA 114          1HB       ALA 114  -2.020  -2.308   0.236
  779   2HB   ALA 114          2HB       ALA 114  -2.372  -1.848   1.902
  780   3HB   ALA 114          3HB       ALA 114  -1.045  -2.957   1.554
  781    H    THR 115           H        THR 115  -4.676  -2.110   0.649
  782    HA   THR 115           HA       THR 115  -5.247  -3.388  -1.924
  783    HB   THR 115           HB       THR 115  -7.113  -4.111  -0.676
  784    HG1  THR 115           HG1      THR 115  -8.853  -2.752  -1.506
  785   1HG2  THR 115          1HG2      THR 115  -8.511  -2.188   0.522
  786   2HG2  THR 115          2HG2      THR 115  -6.905  -1.473   0.672
  787   3HG2  THR 115          3HG2      THR 115  -7.225  -3.071   1.348
  788    H    VAL 116           H        VAL 116  -4.247  -1.898  -3.177
  789    HA   VAL 116           HA       VAL 116  -5.287   0.805  -3.274
  790    HB   VAL 116           HB       VAL 116  -3.482   0.830  -1.533
  791   1HG1  VAL 116          1HG1      VAL 116  -1.119   0.849  -2.512
  792   2HG1  VAL 116          2HG1      VAL 116  -1.897  -0.712  -2.236
  793   3HG1  VAL 116          3HG1      VAL 116  -1.822  -0.036  -3.867
  794   1HG2  VAL 116          1HG2      VAL 116  -3.154   2.969  -2.033
  795   2HG2  VAL 116          2HG2      VAL 116  -2.259   2.566  -3.496
  796   3HG2  VAL 116          3HG2      VAL 116  -4.018   2.662  -3.538
  797    H    HIS 117           H        HIS 117  -4.097   2.042  -5.093
  798    HA   HIS 117           HA       HIS 117  -4.172   0.204  -7.352
  799   1HB   HIS 117          1HB       HIS 117  -4.540   3.172  -7.063
  800   2HB   HIS 117          2HB       HIS 117  -4.222   2.460  -8.640
  801    HD1  HIS 117           HD1      HIS 117  -6.128  -0.090  -7.285
  802    HD2  HIS 117           HD2      HIS 117  -7.065   3.798  -8.427
  803    HE1  HIS 117           HE1      HIS 117  -8.611  -0.075  -7.668
  804    HE2  HIS 117           HE2      HIS 117  -9.130   2.244  -8.509
  805    H    ASP 118           H        ASP 118  -2.751   2.675  -8.689
  806    HA   ASP 118           HA       ASP 118  -0.126   1.357  -8.511
  807   1HB   ASP 118          1HB       ASP 118   0.193   1.962 -10.889
  808   2HB   ASP 118          2HB       ASP 118  -1.180   0.895 -10.635
  809    H    ASP 119           H        ASP 119   1.747   2.735  -9.271
  810    HA   ASP 119           HA       ASP 119   1.520   5.547  -8.836
  811   1HB   ASP 119          1HB       ASP 119   1.652   5.594  -6.621
  812   2HB   ASP 119          2HB       ASP 119   1.869   3.857  -6.549
  813    H    LYS 120           H        LYS 120   4.153   3.041  -8.441
  814    HA   LYS 120           HA       LYS 120   5.658   4.604 -10.405
  815   1HB   LYS 120          1HB       LYS 120   6.158   4.666  -7.586
  816   2HB   LYS 120          2HB       LYS 120   7.541   3.965  -8.418
  817   1HG   LYS 120          1HG       LYS 120   6.751   6.206  -9.928
  818   2HG   LYS 120          2HG       LYS 120   6.741   6.700  -8.234
  819   1HD   LYS 120          1HD       LYS 120   9.032   5.797  -7.999
  820   2HD   LYS 120          2HD       LYS 120   9.031   5.423  -9.724
  821   1HE   LYS 120          1HE       LYS 120   9.567   7.521 -10.247
  822   2HE   LYS 120          2HE       LYS 120   8.230   8.154  -9.286
  823   1HZ   LYS 120          1HZ       LYS 120  10.864   7.351  -8.166
  824   2HZ   LYS 120          2HZ       LYS 120   9.598   8.115  -7.331
  825   3HZ   LYS 120          3HZ       LYS 120  10.429   8.943  -8.552
  826    H    GLU 121           H        GLU 121   8.064   3.541 -10.394
  827    HA   GLU 121           HA       GLU 121   7.542   1.095 -11.802
  828   1HB   GLU 121          1HB       GLU 121   9.310   3.185 -12.089
  829   2HB   GLU 121          2HB       GLU 121  10.340   1.896 -11.488
  830   1HG   GLU 121          1HG       GLU 121   8.487   1.369 -13.763
  831   2HG   GLU 121          2HG       GLU 121  10.006   2.220 -14.039
  832    H    ASP 122           H        ASP 122   7.198  -0.609 -10.447
  833    HA   ASP 122           HA       ASP 122   9.371  -1.286  -8.585
  834   1HB   ASP 122          1HB       ASP 122   7.125  -1.227  -7.565
  835   2HB   ASP 122          2HB       ASP 122   6.568  -2.429  -8.727
  836    H    SER 123           H        SER 123   9.830  -3.659  -8.436
  837    HA   SER 123           HA       SER 123  10.172  -4.664 -11.166
  838   1HB   SER 123          1HB       SER 123  11.731  -6.201  -9.412
  839   2HB   SER 123          2HB       SER 123  12.288  -4.917 -10.484
  840    HG   SER 123           HG       SER 123  11.558  -4.737  -7.746
  841    H    ASP 124           H        ASP 124   8.027  -5.214  -8.663
  842    HA   ASP 124           HA       ASP 124   7.798  -8.025  -9.482
  843   1HB   ASP 124          1HB       ASP 124   8.778  -7.182  -6.979
  844   2HB   ASP 124          2HB       ASP 124   7.178  -7.867  -6.704
  845    H    VAL 125           H        VAL 125   6.174  -5.286  -7.896
  846    HA   VAL 125           HA       VAL 125   3.743  -6.500  -7.341
  847    HB   VAL 125           HB       VAL 125   4.268  -4.268  -6.541
  848   1HG1  VAL 125          1HG1      VAL 125   4.933  -2.613  -7.858
  849   2HG1  VAL 125          2HG1      VAL 125   4.749  -3.667  -9.260
  850   3HG1  VAL 125          3HG1      VAL 125   3.401  -2.666  -8.729
  851   1HG2  VAL 125          1HG2      VAL 125   2.032  -3.254  -6.962
  852   2HG2  VAL 125          2HG2      VAL 125   1.752  -4.514  -8.164
  853   3HG2  VAL 125          3HG2      VAL 125   1.989  -4.949  -6.471
  854    H    LEU 126           H        LEU 126   4.546  -4.711 -10.347
  855    HA   LEU 126           HA       LEU 126   3.237  -6.451 -12.093
  856   1HB   LEU 126          1HB       LEU 126   1.440  -4.719 -10.692
  857   2HB   LEU 126          2HB       LEU 126   1.485  -4.234 -12.377
  858    HG   LEU 126           HG       LEU 126   0.676  -6.906 -11.245
  859   1HD1  LEU 126          1HD1      LEU 126  -1.443  -6.426 -12.025
  860   2HD1  LEU 126          2HD1      LEU 126  -0.885  -4.853 -11.456
  861   3HD1  LEU 126          3HD1      LEU 126  -0.860  -5.226 -13.179
  862   1HD2  LEU 126          1HD2      LEU 126   1.865  -7.621 -13.096
  863   2HD2  LEU 126          2HD2      LEU 126   0.246  -7.391 -13.756
  864   3HD2  LEU 126          3HD2      LEU 126   1.490  -6.170 -14.028
  865    H    THR 127           H        THR 127   2.928  -5.435 -14.285
  866    HA   THR 127           HA       THR 127   5.157  -3.720 -14.859
  867    HB   THR 127           HB       THR 127   3.499  -4.036 -17.145
  868    HG1  THR 127           HG1      THR 127   3.994  -6.538 -15.874
  869   1HG2  THR 127          1HG2      THR 127   5.880  -3.956 -17.311
  870   2HG2  THR 127          2HG2      THR 127   5.385  -5.565 -17.834
  871   3HG2  THR 127          3HG2      THR 127   6.063  -5.330 -16.223
  872    H    LYS 128           H        LYS 128   1.655  -3.396 -14.727
  873    HA   LYS 128           HA       LYS 128   1.792  -0.681 -15.766
  874   1HB   LYS 128          1HB       LYS 128  -0.212  -2.695 -15.703
  875   2HB   LYS 128          2HB       LYS 128  -0.813  -1.334 -14.771
  876   1HG   LYS 128          1HG       LYS 128  -0.306  -1.575 -17.665
  877   2HG   LYS 128          2HG       LYS 128  -1.548  -0.670 -16.798
  878   1HD   LYS 128          1HD       LYS 128   1.269   0.253 -16.568
  879   2HD   LYS 128          2HD       LYS 128   0.430   0.537 -18.094
  880   1HE   LYS 128          1HE       LYS 128  -1.426   1.582 -16.759
  881   2HE   LYS 128          2HE       LYS 128  -0.376   1.473 -15.346
  882   1HZ   LYS 128          1HZ       LYS 128   0.902   2.697 -17.608
  883   2HZ   LYS 128          2HZ       LYS 128   0.786   3.237 -16.002
  884   3HZ   LYS 128          3HZ       LYS 128  -0.474   3.545 -17.095
  885    H    CYS 129           H        CYS 129   2.763   0.558 -14.267
  886    HA   CYS 129           HA       CYS 129   1.359   1.393 -11.969
  887   1HB   CYS 129          1HB       CYS 129   2.656  -0.976 -11.501
  888   2HB   CYS 129          2HB       CYS 129   3.862   0.195 -10.982
  889    HA   PRO 130           HA       PRO 130   6.235   2.975 -12.168
  890   1HB   PRO 130          1HB       PRO 130   6.296   3.258 -15.057
  891   2HB   PRO 130          2HB       PRO 130   7.457   2.484 -13.981
  892   1HG   PRO 130          1HG       PRO 130   5.295   1.289 -15.551
  893   2HG   PRO 130          2HG       PRO 130   6.697   0.510 -14.797
  894   1HD   PRO 130          1HD       PRO 130   4.186   0.140 -13.889
  895   2HD   PRO 130          2HD       PRO 130   5.588   0.176 -12.797
  896    H    VAL 131           H        VAL 131   5.912   5.016 -11.480
  897    HA   VAL 131           HA       VAL 131   4.981   6.968 -13.490
  898    HB   VAL 131           HB       VAL 131   5.057   6.970 -10.563
  899   1HG1  VAL 131          1HG1      VAL 131   5.771   9.166 -10.101
  900   2HG1  VAL 131          2HG1      VAL 131   7.046   8.450 -11.088
  901   3HG1  VAL 131          3HG1      VAL 131   5.894   9.574 -11.813
  902   1HG2  VAL 131          1HG2      VAL 131   3.243   8.433 -10.735
  903   2HG2  VAL 131          2HG2      VAL 131   3.729   8.994 -12.337
  904   3HG2  VAL 131          3HG2      VAL 131   3.091   7.361 -12.131
  Start of MODEL   15
    1   1H    ARG  14          1H        ARG  14  -8.838  -4.736 -10.063
    2    HA   ARG  14           HA       ARG  14  -9.149  -2.350  -8.475
    3   1HB   ARG  14          1HB       ARG  14 -10.928  -4.787  -8.489
    4   2HB   ARG  14          2HB       ARG  14 -11.357  -3.147  -8.028
    5   1HG   ARG  14          1HG       ARG  14 -12.126  -2.860 -10.086
    6   2HG   ARG  14          2HG       ARG  14 -10.459  -2.931 -10.652
    7   1HD   ARG  14          1HD       ARG  14 -11.669  -5.552 -10.166
    8   2HD   ARG  14          2HD       ARG  14 -12.465  -4.617 -11.430
    9    HE   ARG  14           HE       ARG  14 -10.176  -4.416 -12.446
   10   1HH1  ARG  14          1HH1      ARG  14 -11.072  -7.140 -10.439
   11   2HH1  ARG  14          2HH1      ARG  14  -9.873  -8.202 -11.122
   12   1HH2  ARG  14          1HH2      ARG  14  -8.617  -5.789 -13.347
   13   2HH2  ARG  14          2HH2      ARG  14  -8.453  -7.427 -12.771
   14    H    ILE  15           H        ILE  15  -8.680  -2.124  -6.352
   15    HA   ILE  15           HA       ILE  15  -8.078  -4.600  -4.852
   16    HB   ILE  15           HB       ILE  15  -6.229  -3.275  -3.726
   17   1HG1  ILE  15          1HG1      ILE  15  -5.917  -1.642  -6.166
   18   2HG1  ILE  15          2HG1      ILE  15  -7.238  -1.149  -5.111
   19   1HG2  ILE  15          1HG2      ILE  15  -4.860  -3.503  -6.054
   20   2HG2  ILE  15          2HG2      ILE  15  -5.268  -4.856  -5.001
   21   3HG2  ILE  15          3HG2      ILE  15  -6.280  -4.491  -6.398
   22   1HD1  ILE  15          1HD1      ILE  15  -5.521  -1.178  -3.230
   23   2HD1  ILE  15          2HD1      ILE  15  -4.304  -1.262  -4.504
   24   3HD1  ILE  15          3HD1      ILE  15  -5.399   0.117  -4.422
   25    HA   PRO  16           HA       PRO  16 -10.652  -1.815  -2.144
   26   1HB   PRO  16          1HB       PRO  16 -12.982  -3.429  -2.421
   27   2HB   PRO  16          2HB       PRO  16 -12.708  -1.804  -3.051
   28   1HG   PRO  16          1HG       PRO  16 -13.003  -4.080  -4.604
   29   2HG   PRO  16          2HG       PRO  16 -12.250  -2.569  -5.141
   30   1HD   PRO  16          1HD       PRO  16 -10.960  -5.091  -4.169
   31   2HD   PRO  16          2HD       PRO  16 -10.468  -4.005  -5.488
   32    H    ASN  17           H        ASN  17 -10.059  -5.248  -2.237
   33    HA   ASN  17           HA       ASN  17 -10.961  -5.538   0.547
   34   1HB   ASN  17          1HB       ASN  17 -11.420  -7.244  -1.435
   35   2HB   ASN  17          2HB       ASN  17  -9.830  -7.843  -0.978
   36   1HD2  ASN  17          1HD2      ASN  17 -13.129  -7.962  -0.336
   37   2HD2  ASN  17          2HD2      ASN  17 -13.053  -8.833   1.165
   38    H    ILE  18           H        ILE  18  -9.331  -7.417   1.583
   39    HA   ILE  18           HA       ILE  18  -6.741  -6.004   1.657
   40    HB   ILE  18           HB       ILE  18  -6.535  -6.749   3.995
   41   1HG1  ILE  18          1HG1      ILE  18  -9.405  -7.372   4.256
   42   2HG1  ILE  18          2HG1      ILE  18  -8.464  -8.586   3.394
   43   1HG2  ILE  18          1HG2      ILE  18  -7.714  -4.581   3.135
   44   2HG2  ILE  18          2HG2      ILE  18  -9.160  -5.335   3.809
   45   3HG2  ILE  18          3HG2      ILE  18  -7.773  -4.999   4.849
   46   1HD1  ILE  18          1HD1      ILE  18  -8.200  -7.656   6.220
   47   2HD1  ILE  18          2HD1      ILE  18  -8.382  -9.293   5.593
   48   3HD1  ILE  18          3HD1      ILE  18  -6.852  -8.439   5.394
   49    H    ALA  19           H        ALA  19  -4.863  -7.167   1.898
   50    HA   ALA  19           HA       ALA  19  -4.779 -10.025   1.784
   51   1HB   ALA  19          1HB       ALA  19  -4.116 -10.372  -0.402
   52   2HB   ALA  19          2HB       ALA  19  -5.376  -9.152  -0.587
   53   3HB   ALA  19          3HB       ALA  19  -3.679  -8.680  -0.648
   54    H    THR  20           H        THR  20  -2.448 -10.689   1.235
   55    HA   THR  20           HA       THR  20  -0.534  -8.614   1.981
   56    HB   THR  20           HB       THR  20   0.334 -11.338   2.637
   57    HG1  THR  20           HG1      THR  20  -2.154 -10.744   3.278
   58   1HG2  THR  20          1HG2      THR  20   1.429 -10.288   4.357
   59   2HG2  THR  20          2HG2      THR  20   0.129  -9.124   4.620
   60   3HG2  THR  20          3HG2      THR  20   1.231  -8.922   3.259
   61    H    TYR  21           H        TYR  21   0.822  -8.232   0.361
   62    HA   TYR  21           HA       TYR  21   0.985 -10.144  -1.841
   63   1HB   TYR  21          1HB       TYR  21   1.761  -7.256  -1.525
   64   2HB   TYR  21          2HB       TYR  21   2.312  -8.201  -2.900
   65    HD1  TYR  21           HD1      TYR  21  -0.224  -6.094  -1.672
   66    HD2  TYR  21           HD2      TYR  21   0.418  -9.410  -4.258
   67    HE1  TYR  21           HE1      TYR  21  -2.304  -5.563  -2.867
   68    HE2  TYR  21           HE2      TYR  21  -1.662  -8.883  -5.459
   69    HH   TYR  21           HH       TYR  21  -3.843  -6.367  -4.326
   70    H    THR  22           H        THR  22   3.117 -10.425  -2.905
   71    HA   THR  22           HA       THR  22   5.454 -10.015  -1.190
   72    HB   THR  22           HB       THR  22   5.005 -12.668  -2.566
   73    HG1  THR  22           HG1      THR  22   3.840 -11.723  -0.322
   74   1HG2  THR  22          1HG2      THR  22   6.912 -11.764  -0.403
   75   2HG2  THR  22          2HG2      THR  22   7.328 -12.120  -2.079
   76   3HG2  THR  22          3HG2      THR  22   6.775 -13.413  -1.014
   77    H    GLY  23           H        GLY  23   7.193  -9.316  -2.343
   78   1HA   GLY  23          1HA       GLY  23   7.632  -9.957  -5.088
   79   2HA   GLY  23          2HA       GLY  23   6.930  -8.354  -4.924
   80    H    THR  24           H        THR  24   9.452  -8.689  -6.031
   81    HA   THR  24           HA       THR  24  11.348  -8.105  -3.864
   82    HB   THR  24           HB       THR  24  12.687  -8.260  -6.359
   83    HG1  THR  24           HG1      THR  24  10.763  -9.367  -7.093
   84   1HG2  THR  24          1HG2      THR  24  14.021  -9.176  -4.813
   85   2HG2  THR  24          2HG2      THR  24  13.108 -10.664  -5.063
   86   3HG2  THR  24          3HG2      THR  24  12.662  -9.564  -3.757
   87    H    ILE  25           H        ILE  25  11.944  -6.078  -3.498
   88    HA   ILE  25           HA       ILE  25  11.574  -4.071  -5.615
   89    HB   ILE  25           HB       ILE  25  10.519  -3.687  -3.347
   90   1HG1  ILE  25          1HG1      ILE  25  12.550  -1.646  -4.274
   91   2HG1  ILE  25          2HG1      ILE  25  10.923  -1.846  -4.916
   92   1HG2  ILE  25          1HG2      ILE  25  11.758  -3.233  -1.446
   93   2HG2  ILE  25          2HG2      ILE  25  12.633  -4.583  -2.166
   94   3HG2  ILE  25          3HG2      ILE  25  13.238  -2.937  -2.357
   95   1HD1  ILE  25          1HD1      ILE  25  11.839  -0.469  -2.513
   96   2HD1  ILE  25          2HD1      ILE  25  10.380  -0.236  -3.474
   97   3HD1  ILE  25          3HD1      ILE  25  10.438  -1.508  -2.256
   98    H    GLN  26           H        GLN  26  13.295  -2.668  -6.177
   99    HA   GLN  26           HA       GLN  26  15.905  -3.898  -5.840
  100   1HB   GLN  26          1HB       GLN  26  14.652  -2.063  -7.757
  101   2HB   GLN  26          2HB       GLN  26  16.314  -1.649  -7.359
  102   1HG   GLN  26          1HG       GLN  26  15.420  -4.366  -8.290
  103   2HG   GLN  26          2HG       GLN  26  16.071  -3.112  -9.346
  104   1HE2  GLN  26          1HE2      GLN  26  18.223  -2.853  -9.486
  105   2HE2  GLN  26          2HE2      GLN  26  19.386  -3.764  -8.580
  106    H    GLY  27           H        GLY  27  17.795  -2.401  -5.465
  107   1HA   GLY  27          1HA       GLY  27  17.484  -1.072  -2.989
  108   2HA   GLY  27          2HA       GLY  27  18.921  -1.045  -4.001
  109    H    LYS  28           H        LYS  28  17.245   1.007  -2.459
  110    HA   LYS  28           HA       LYS  28  16.585   3.169  -2.648
  111   1HB   LYS  28          1HB       LYS  28  18.369   2.978  -5.075
  112   2HB   LYS  28          2HB       LYS  28  17.566   4.474  -4.619
  113   1HG   LYS  28          1HG       LYS  28  19.727   2.987  -3.186
  114   2HG   LYS  28          2HG       LYS  28  19.681   4.677  -3.694
  115   1HD   LYS  28          1HD       LYS  28  17.630   3.774  -1.744
  116   2HD   LYS  28          2HD       LYS  28  19.289   3.940  -1.165
  117   1HE   LYS  28          1HE       LYS  28  18.446   6.192  -2.797
  118   2HE   LYS  28          2HE       LYS  28  17.418   5.963  -1.384
  119   1HZ   LYS  28          1HZ       LYS  28  19.100   7.325  -0.612
  120   2HZ   LYS  28          2HZ       LYS  28  20.310   6.530  -1.495
  121   3HZ   LYS  28          3HZ       LYS  28  19.640   5.789  -0.129
  122    H    GLY  29           H        GLY  29  14.822   1.231  -3.484
  123   1HA   GLY  29          1HA       GLY  29  13.651   2.221  -5.982
  124   2HA   GLY  29          2HA       GLY  29  13.269   0.697  -5.195
  125    H    GLU  30           H        GLU  30  11.726   3.159  -6.095
  126    HA   GLU  30           HA       GLU  30  10.094   3.314  -3.658
  127   1HB   GLU  30          1HB       GLU  30  10.134   5.595  -5.602
  128   2HB   GLU  30          2HB       GLU  30   9.712   5.598  -3.897
  129   1HG   GLU  30          1HG       GLU  30  12.436   4.854  -4.108
  130   2HG   GLU  30          2HG       GLU  30  12.182   6.270  -5.126
  131    H    VAL  31           H        VAL  31   8.267   2.246  -4.057
  132    HA   VAL  31           HA       VAL  31   7.209   2.312  -6.816
  133    HB   VAL  31           HB       VAL  31   6.185   0.115  -5.192
  134   1HG1  VAL  31          1HG1      VAL  31   5.849  -0.594  -7.264
  135   2HG1  VAL  31          2HG1      VAL  31   6.842   0.716  -7.907
  136   3HG1  VAL  31          3HG1      VAL  31   7.589  -0.815  -7.446
  137   1HG2  VAL  31          1HG2      VAL  31   9.144   0.125  -5.778
  138   2HG2  VAL  31          2HG2      VAL  31   8.402   0.178  -4.178
  139   3HG2  VAL  31          3HG2      VAL  31   8.210  -1.252  -5.193
  140    H    CYS  32           H        CYS  32   5.093   2.702  -7.136
  141    HA   CYS  32           HA       CYS  32   3.526   3.430  -4.754
  142   1HB   CYS  32          1HB       CYS  32   3.605   5.490  -5.683
  143   2HB   CYS  32          2HB       CYS  32   4.097   4.867  -7.251
  144    H    ILE  33           H        ILE  33   1.807   2.194  -4.437
  145    HA   ILE  33           HA       ILE  33   0.528   0.878  -6.731
  146    HB   ILE  33           HB       ILE  33   0.013   0.513  -3.775
  147   1HG1  ILE  33          1HG1      ILE  33   2.228  -0.328  -4.483
  148   2HG1  ILE  33          2HG1      ILE  33   1.152  -1.633  -4.000
  149   1HG2  ILE  33          1HG2      ILE  33  -0.982  -1.687  -5.107
  150   2HG2  ILE  33          2HG2      ILE  33  -1.928  -0.352  -4.455
  151   3HG2  ILE  33          3HG2      ILE  33  -1.436  -0.339  -6.149
  152   1HD1  ILE  33          1HD1      ILE  33   0.893  -2.386  -6.179
  153   2HD1  ILE  33          2HD1      ILE  33   1.442  -0.860  -6.873
  154   3HD1  ILE  33          3HD1      ILE  33   2.596  -1.937  -6.090
  155    H    ILE  34           H        ILE  34  -1.010   2.028  -7.661
  156    HA   ILE  34           HA       ILE  34  -2.182   4.328  -6.594
  157    HB   ILE  34           HB       ILE  34  -3.357   2.578  -8.756
  158   1HG1  ILE  34          1HG1      ILE  34  -2.028   4.744  -9.929
  159   2HG1  ILE  34          2HG1      ILE  34  -0.915   4.145  -8.706
  160   1HG2  ILE  34          1HG2      ILE  34  -3.622   5.554  -8.357
  161   2HG2  ILE  34          2HG2      ILE  34  -4.482   4.544  -9.520
  162   3HG2  ILE  34          3HG2      ILE  34  -4.807   4.375  -7.795
  163   1HD1  ILE  34          1HD1      ILE  34  -0.265   2.649 -10.203
  164   2HD1  ILE  34          2HD1      ILE  34  -1.826   1.859  -9.977
  165   3HD1  ILE  34          3HD1      ILE  34  -1.612   3.033 -11.275
  166    H    GLY  35           H        GLY  35  -3.779   4.616  -5.200
  167   1HA   GLY  35          1HA       GLY  35  -5.071   2.401  -3.939
  168   2HA   GLY  35          2HA       GLY  35  -5.384   4.105  -3.629
  169    H    ASN  36           H        ASN  36  -7.660   3.423  -3.528
  170    HA   ASN  36           HA       ASN  36  -8.836   2.257  -5.868
  171   1HB   ASN  36          1HB       ASN  36 -10.206   3.449  -3.448
  172   2HB   ASN  36          2HB       ASN  36 -10.947   2.400  -4.652
  173   1HD2  ASN  36          1HD2      ASN  36  -9.380   0.334  -4.988
  174   2HD2  ASN  36          2HD2      ASN  36  -9.026  -0.477  -3.497
  175    H    LYS  37           H        LYS  37  -9.322   3.276  -7.597
  176    HA   LYS  37           HA       LYS  37  -9.061   6.106  -7.796
  177   1HB   LYS  37          1HB       LYS  37  -9.100   3.851  -9.544
  178   2HB   LYS  37          2HB       LYS  37 -10.240   5.047 -10.151
  179   1HG   LYS  37          1HG       LYS  37  -8.422   6.744 -10.024
  180   2HG   LYS  37          2HG       LYS  37  -7.310   5.441  -9.599
  181   1HD   LYS  37          1HD       LYS  37  -7.006   5.568 -11.878
  182   2HD   LYS  37          2HD       LYS  37  -8.250   4.323 -11.762
  183   1HE   LYS  37          1HE       LYS  37  -9.230   7.098 -11.940
  184   2HE   LYS  37          2HE       LYS  37  -8.413   6.484 -13.378
  185   1HZ   LYS  37          1HZ       LYS  37 -10.962   5.707 -12.214
  186   2HZ   LYS  37          2HZ       LYS  37 -10.014   4.435 -12.814
  187   3HZ   LYS  37          3HZ       LYS  37 -10.464   5.711 -13.836
  188    H    GLU  38           H        GLU  38 -10.545   7.510  -7.236
  189    HA   GLU  38           HA       GLU  38 -12.399   8.784  -7.401
  190   1HB   GLU  38          1HB       GLU  38 -13.053   6.743  -9.496
  191   2HB   GLU  38          2HB       GLU  38 -14.222   7.977  -9.045
  192   1HG   GLU  38          1HG       GLU  38 -11.629   9.137  -9.522
  193   2HG   GLU  38          2HG       GLU  38 -12.178   8.201 -10.913
  194    H    GLY  39           H        GLY  39 -13.456   8.858  -5.565
  195   1HA   GLY  39          1HA       GLY  39 -14.869   6.563  -4.517
  196   2HA   GLY  39          2HA       GLY  39 -14.757   8.152  -3.772
  197    H    LYS  40           H        LYS  40 -16.338   6.324  -6.340
  198    HA   LYS  40           HA       LYS  40 -18.268   8.324  -6.961
  199   1HB   LYS  40          1HB       LYS  40 -17.549   5.737  -7.924
  200   2HB   LYS  40          2HB       LYS  40 -19.274   5.729  -7.592
  201   1HG   LYS  40          1HG       LYS  40 -18.677   6.361  -9.920
  202   2HG   LYS  40          2HG       LYS  40 -19.648   7.562  -9.066
  203   1HD   LYS  40          1HD       LYS  40 -18.087   9.108  -9.401
  204   2HD   LYS  40          2HD       LYS  40 -16.875   8.096  -8.612
  205   1HE   LYS  40          1HE       LYS  40 -16.055   7.308 -10.577
  206   2HE   LYS  40          2HE       LYS  40 -17.623   7.369 -11.383
  207   1HZ   LYS  40          1HZ       LYS  40 -17.327   9.875 -11.302
  208   2HZ   LYS  40          2HZ       LYS  40 -16.354   9.022 -12.399
  209   3HZ   LYS  40          3HZ       LYS  40 -15.700   9.569 -10.929
  210    H    THR  41           H        THR  41 -19.470   5.163  -6.080
  211    HA   THR  41           HA       THR  41 -21.271   6.388  -4.142
  212    HB   THR  41           HB       THR  41 -21.294   3.450  -4.628
  213    HG1  THR  41           HG1      THR  41 -22.157   5.378  -6.560
  214   1HG2  THR  41          1HG2      THR  41 -23.806   4.113  -4.879
  215   2HG2  THR  41          2HG2      THR  41 -23.285   5.639  -4.166
  216   3HG2  THR  41          3HG2      THR  41 -23.061   4.130  -3.280
  217    H    ARG  42           H        ARG  42 -18.304   4.848  -4.251
  218    HA   ARG  42           HA       ARG  42 -18.019   4.813  -1.410
  219   1HB   ARG  42          1HB       ARG  42 -17.284   2.352  -1.419
  220   2HB   ARG  42          2HB       ARG  42 -19.013   2.665  -1.438
  221   1HG   ARG  42          1HG       ARG  42 -19.082   1.232  -3.143
  222   2HG   ARG  42          2HG       ARG  42 -18.404   2.546  -4.106
  223   1HD   ARG  42          1HD       ARG  42 -16.538   1.386  -4.442
  224   2HD   ARG  42          2HD       ARG  42 -16.293   1.221  -2.702
  225    HE   ARG  42           HE       ARG  42 -17.321  -0.871  -2.756
  226   1HH1  ARG  42          1HH1      ARG  42 -17.259   0.626  -5.924
  227   2HH1  ARG  42          2HH1      ARG  42 -17.747  -0.813  -6.756
  228   1HH2  ARG  42          1HH2      ARG  42 -17.942  -2.770  -3.843
  229   2HH2  ARG  42          2HH2      ARG  42 -18.105  -2.765  -5.577
  230    H    GLY  43           H        GLY  43 -15.745   4.072  -0.846
  231   1HA   GLY  43          1HA       GLY  43 -13.946   4.899  -3.024
  232   2HA   GLY  43          2HA       GLY  43 -13.551   4.900  -1.308
  233    H    GLY  44           H        GLY  44 -13.241   2.857  -0.252
  234   1HA   GLY  44          1HA       GLY  44 -13.265   0.353  -1.388
  235   2HA   GLY  44          2HA       GLY  44 -11.710   1.042  -1.838
  236    H    GLU  45           H        GLU  45 -10.169   1.459  -0.252
  237    HA   GLU  45           HA       GLU  45 -10.835   0.867   2.515
  238   1HB   GLU  45          1HB       GLU  45  -9.481  -1.034   0.849
  239   2HB   GLU  45          2HB       GLU  45  -8.359  -0.428   2.058
  240   1HG   GLU  45          1HG       GLU  45 -10.787  -2.078   2.377
  241   2HG   GLU  45          2HG       GLU  45  -9.237  -2.164   3.211
  242    H    LEU  46           H        LEU  46  -8.732   1.095   3.845
  243    HA   LEU  46           HA       LEU  46  -6.737   2.861   2.740
  244   1HB   LEU  46          1HB       LEU  46  -8.369   4.465   3.534
  245   2HB   LEU  46          2HB       LEU  46  -8.534   3.611   5.053
  246    HG   LEU  46           HG       LEU  46  -6.466   4.396   5.854
  247   1HD1  LEU  46          1HD1      LEU  46  -4.660   4.878   4.641
  248   2HD1  LEU  46          2HD1      LEU  46  -5.547   4.181   3.282
  249   3HD1  LEU  46          3HD1      LEU  46  -5.566   5.925   3.545
  250   1HD2  LEU  46          1HD2      LEU  46  -8.438   6.064   5.343
  251   2HD2  LEU  46          2HD2      LEU  46  -6.913   6.595   6.056
  252   3HD2  LEU  46          3HD2      LEU  46  -7.200   6.808   4.329
  253    H    TYR  47           H        TYR  47  -6.994   0.132   3.599
  254    HA   TYR  47           HA       TYR  47  -5.341   0.191   6.003
  255   1HB   TYR  47          1HB       TYR  47  -7.293  -1.111   6.456
  256   2HB   TYR  47          2HB       TYR  47  -7.101  -2.021   4.950
  257    HD1  TYR  47           HD1      TYR  47  -6.087  -4.078   5.063
  258    HD2  TYR  47           HD2      TYR  47  -5.170  -1.165   8.011
  259    HE1  TYR  47           HE1      TYR  47  -4.587  -5.670   6.156
  260    HE2  TYR  47           HE2      TYR  47  -3.672  -2.735   9.133
  261    HH   TYR  47           HH       TYR  47  -3.717  -5.663   9.050
  262    H    ALA  48           H        ALA  48  -3.416  -0.820   6.053
  263    HA   ALA  48           HA       ALA  48  -2.369  -2.319   3.844
  264   1HB   ALA  48          1HB       ALA  48  -1.097   0.341   4.492
  265   2HB   ALA  48          2HB       ALA  48  -0.647  -0.785   3.207
  266   3HB   ALA  48          3HB       ALA  48  -2.181   0.087   3.122
  267    H    VAL  49           H        VAL  49  -0.586  -3.520   4.493
  268    HA   VAL  49           HA       VAL  49   0.656  -2.833   7.049
  269    HB   VAL  49           HB       VAL  49  -0.992  -4.558   7.592
  270   1HG1  VAL  49          1HG1      VAL  49  -1.485  -5.951   5.898
  271   2HG1  VAL  49          2HG1      VAL  49   0.143  -5.889   5.226
  272   3HG1  VAL  49          3HG1      VAL  49  -0.202  -6.935   6.602
  273   1HG2  VAL  49          1HG2      VAL  49   1.521  -6.107   7.743
  274   2HG2  VAL  49          2HG2      VAL  49   1.536  -4.486   8.438
  275   3HG2  VAL  49          3HG2      VAL  49   0.368  -5.681   9.007
  276    H    LEU  50           H        LEU  50   2.827  -2.937   6.964
  277    HA   LEU  50           HA       LEU  50   3.960  -3.986   4.455
  278   1HB   LEU  50          1HB       LEU  50   4.146  -1.465   5.526
  279   2HB   LEU  50          2HB       LEU  50   5.640  -2.205   6.067
  280    HG   LEU  50           HG       LEU  50   5.015  -1.090   3.517
  281   1HD1  LEU  50          1HD1      LEU  50   7.166  -1.324   5.147
  282   2HD1  LEU  50          2HD1      LEU  50   7.581  -2.464   3.866
  283   3HD1  LEU  50          3HD1      LEU  50   7.231  -0.782   3.469
  284   1HD2  LEU  50          1HD2      LEU  50   4.410  -3.016   2.449
  285   2HD2  LEU  50          2HD2      LEU  50   6.163  -3.132   2.288
  286   3HD2  LEU  50          3HD2      LEU  50   5.330  -4.048   3.544
  287    H    HIS  51           H        HIS  51   5.575  -5.450   4.482
  288    HA   HIS  51           HA       HIS  51   7.081  -5.910   6.951
  289   1HB   HIS  51          1HB       HIS  51   6.157  -8.276   5.329
  290   2HB   HIS  51          2HB       HIS  51   6.842  -8.260   6.945
  291    HD1  HIS  51           HD1      HIS  51   5.232  -7.942   8.913
  292    HD2  HIS  51           HD2      HIS  51   3.397  -7.737   5.176
  293    HE1  HIS  51           HE1      HIS  51   2.766  -8.135   9.351
  294    HE2  HIS  51           HE2      HIS  51   1.724  -8.298   7.067
  295    H    SER  52           H        SER  52   9.124  -7.048   6.529
  296    HA   SER  52           HA       SER  52   9.913  -7.336   3.738
  297   1HB   SER  52          1HB       SER  52  11.562  -5.612   5.596
  298   2HB   SER  52          2HB       SER  52  11.810  -5.882   3.873
  299    HG   SER  52           HG       SER  52   9.390  -4.974   4.037
  300    H    THR  53           H        THR  53  10.203  -9.514   4.061
  301    HA   THR  53           HA       THR  53  11.627 -10.553   6.324
  302    HB   THR  53           HB       THR  53  11.451 -12.547   4.346
  303    HG1  THR  53           HG1      THR  53   9.747 -12.052   3.185
  304   1HG2  THR  53          1HG2      THR  53  10.928 -13.327   6.414
  305   2HG2  THR  53          2HG2      THR  53   9.283 -13.016   5.861
  306   3HG2  THR  53          3HG2      THR  53  10.108 -11.840   6.887
  307    H    ASN  54           H        ASN  54  13.535  -9.049   5.685
  308    HA   ASN  54           HA       ASN  54  15.496 -10.673   4.225
  309   1HB   ASN  54          1HB       ASN  54  15.335  -7.690   3.746
  310   2HB   ASN  54          2HB       ASN  54  16.302  -8.875   2.875
  311   1HD2  ASN  54          1HD2      ASN  54  13.224  -7.398   3.219
  312   2HD2  ASN  54          2HD2      ASN  54  12.471  -8.124   1.841
  313    H    VAL  55           H        VAL  55  17.718  -9.241   4.435
  314    HA   VAL  55           HA       VAL  55  18.382  -9.172   7.171
  315    HB   VAL  55           HB       VAL  55  19.957  -7.450   5.331
  316   1HG1  VAL  55          1HG1      VAL  55  21.675  -7.991   6.681
  317   2HG1  VAL  55          2HG1      VAL  55  20.390  -8.459   7.796
  318   3HG1  VAL  55          3HG1      VAL  55  21.187  -9.681   6.803
  319   1HG2  VAL  55          1HG2      VAL  55  20.538  -8.976   3.796
  320   2HG2  VAL  55          2HG2      VAL  55  20.590 -10.285   4.978
  321   3HG2  VAL  55          3HG2      VAL  55  19.051  -9.799   4.266
  322    H    ASN  56           H        ASN  56  18.370  -6.432   4.918
  323    HA   ASN  56           HA       ASN  56  17.853  -4.629   7.144
  324   1HB   ASN  56          1HB       ASN  56  19.045  -4.360   4.452
  325   2HB   ASN  56          2HB       ASN  56  18.062  -2.995   4.978
  326   1HD2  ASN  56          1HD2      ASN  56  19.131  -1.478   6.009
  327   2HD2  ASN  56          2HD2      ASN  56  20.569  -1.698   6.948
  328    H    ALA  57           H        ALA  57  15.730  -4.775   7.625
  329    HA   ALA  57           HA       ALA  57  13.670  -4.669   5.621
  330   1HB   ALA  57          1HB       ALA  57  12.147  -4.853   7.374
  331   2HB   ALA  57          2HB       ALA  57  13.559  -5.717   7.986
  332   3HB   ALA  57          3HB       ALA  57  13.230  -4.071   8.527
  333    H    ASP  58           H        ASP  58  15.273  -2.625   5.044
  334    HA   ASP  58           HA       ASP  58  14.538  -0.218   6.473
  335   1HB   ASP  58          1HB       ASP  58  16.798  -1.049   5.085
  336   2HB   ASP  58          2HB       ASP  58  16.086   0.178   4.043
  337    H    MET  59           H        MET  59  12.269  -1.117   5.474
  338    HA   MET  59           HA       MET  59  11.787   0.494   3.056
  339   1HB   MET  59          1HB       MET  59  11.264  -2.156   3.333
  340   2HB   MET  59          2HB       MET  59   9.740  -1.470   3.885
  341   1HG   MET  59          1HG       MET  59   9.273  -0.511   1.835
  342   2HG   MET  59          2HG       MET  59  10.958  -0.554   1.317
  343   1HE   MET  59          1HE       MET  59  11.319  -4.549   1.024
  344   2HE   MET  59          2HE       MET  59  12.210  -3.060   0.710
  345   3HE   MET  59          3HE       MET  59  11.672  -3.439   2.346
  346    H    THR  60           H        THR  60  10.163   1.983   3.074
  347    HA   THR  60           HA       THR  60   8.836   2.394   5.673
  348    HB   THR  60           HB       THR  60   9.083   4.743   3.917
  349    HG1  THR  60           HG1      THR  60  11.200   3.314   4.024
  350   1HG2  THR  60          1HG2      THR  60  10.164   5.194   6.471
  351   2HG2  THR  60          2HG2      THR  60   8.809   4.089   6.704
  352   3HG2  THR  60          3HG2      THR  60   8.554   5.634   5.894
  353    H    LEU  61           H        LEU  61   6.731   2.089   5.599
  354    HA   LEU  61           HA       LEU  61   5.320   2.102   3.058
  355   1HB   LEU  61          1HB       LEU  61   4.725   0.320   4.497
  356   2HB   LEU  61          2HB       LEU  61   4.572   1.380   5.882
  357    HG   LEU  61           HG       LEU  61   2.508   2.285   5.038
  358   1HD1  LEU  61          1HD1      LEU  61   2.466   0.415   2.730
  359   2HD1  LEU  61          2HD1      LEU  61   1.643   1.959   2.959
  360   3HD1  LEU  61          3HD1      LEU  61   3.364   1.927   2.586
  361   1HD2  LEU  61          1HD2      LEU  61   1.850  -0.489   4.486
  362   2HD2  LEU  61          2HD2      LEU  61   2.876  -0.302   5.907
  363   3HD2  LEU  61          3HD2      LEU  61   1.339   0.554   5.813
  364    H    ILE  62           H        ILE  62   4.702   4.003   2.273
  365    HA   ILE  62           HA       ILE  62   3.927   6.075   4.214
  366    HB   ILE  62           HB       ILE  62   6.059   6.701   3.408
  367   1HG1  ILE  62          1HG1      ILE  62   4.369   8.348   1.578
  368   2HG1  ILE  62          2HG1      ILE  62   4.046   8.389   3.311
  369   1HG2  ILE  62          1HG2      ILE  62   5.798   7.058   0.635
  370   2HG2  ILE  62          2HG2      ILE  62   6.848   5.931   1.498
  371   3HG2  ILE  62          3HG2      ILE  62   5.234   5.426   0.998
  372   1HD1  ILE  62          1HD1      ILE  62   6.768   8.684   3.183
  373   2HD1  ILE  62          2HD1      ILE  62   6.193   9.597   1.786
  374   3HD1  ILE  62          3HD1      ILE  62   5.588   9.978   3.399
  375    H    LEU  63           H        LEU  63   1.979   6.824   4.016
  376    HA   LEU  63           HA       LEU  63   0.382   6.219   1.659
  377   1HB   LEU  63          1HB       LEU  63  -0.454   7.675   4.174
  378   2HB   LEU  63          2HB       LEU  63  -1.511   7.028   2.932
  379    HG   LEU  63           HG       LEU  63  -0.129   5.633   5.150
  380   1HD1  LEU  63          1HD1      LEU  63  -2.350   4.237   4.656
  381   2HD1  LEU  63          2HD1      LEU  63  -2.350   5.720   5.610
  382   3HD1  LEU  63          3HD1      LEU  63  -2.818   5.766   3.912
  383   1HD2  LEU  63          1HD2      LEU  63   0.749   4.038   3.882
  384   2HD2  LEU  63          2HD2      LEU  63  -0.880   3.619   3.358
  385   3HD2  LEU  63          3HD2      LEU  63   0.080   4.772   2.416
  386    H    LEU  64           H        LEU  64   0.769   7.554   0.036
  387    HA   LEU  64           HA       LEU  64   0.916  10.415   0.670
  388   1HB   LEU  64          1HB       LEU  64   3.093  10.410   0.213
  389   2HB   LEU  64          2HB       LEU  64   3.014   8.726  -0.279
  390    HG   LEU  64           HG       LEU  64   1.996   9.933  -2.481
  391   1HD1  LEU  64          1HD1      LEU  64   2.507  12.153  -1.395
  392   2HD1  LEU  64          2HD1      LEU  64   4.214  11.751  -1.588
  393   3HD1  LEU  64          3HD1      LEU  64   3.175  11.904  -3.008
  394   1HD2  LEU  64          1HD2      LEU  64   3.588   8.331  -2.831
  395   2HD2  LEU  64          2HD2      LEU  64   4.488   9.788  -3.252
  396   3HD2  LEU  64          3HD2      LEU  64   4.713   9.039  -1.671
  397    H    ARG  65           H        ARG  65  -0.107  11.809  -0.686
  398    HA   ARG  65           HA       ARG  65  -0.861  10.704  -3.298
  399   1HB   ARG  65          1HB       ARG  65  -2.839  11.011  -1.865
  400   2HB   ARG  65          2HB       ARG  65  -2.448  12.720  -1.737
  401   1HG   ARG  65          1HG       ARG  65  -3.873  12.920  -3.463
  402   2HG   ARG  65          2HG       ARG  65  -2.477  12.430  -4.421
  403   1HD   ARG  65          1HD       ARG  65  -3.584  10.634  -5.115
  404   2HD   ARG  65          2HD       ARG  65  -3.730  10.073  -3.449
  405    HE   ARG  65           HE       ARG  65  -5.667  12.061  -4.353
  406   1HH1  ARG  65          1HH1      ARG  65  -4.984   8.660  -3.749
  407   2HH1  ARG  65          2HH1      ARG  65  -6.657   8.235  -3.574
  408   1HH2  ARG  65          1HH2      ARG  65  -7.857  11.499  -4.104
  409   2HH2  ARG  65          2HH2      ARG  65  -8.295   9.849  -3.781
  410    H    ASN  66           H        ASN  66   0.602  11.569  -4.625
  411    HA   ASN  66           HA       ASN  66   0.487  14.484  -4.905
  412   1HB   ASN  66          1HB       ASN  66   2.701  14.015  -4.024
  413   2HB   ASN  66          2HB       ASN  66   2.946  12.745  -5.219
  414   1HD2  ASN  66          1HD2      ASN  66   3.088  13.370  -7.458
  415   2HD2  ASN  66          2HD2      ASN  66   3.697  14.937  -7.875
  416    H    VAL  67           H        VAL  67  -0.995  14.424  -6.540
  417    HA   VAL  67           HA       VAL  67   0.037  13.235  -9.012
  418    HB   VAL  67           HB       VAL  67  -1.753  11.793  -8.383
  419   1HG1  VAL  67          1HG1      VAL  67  -4.055  13.457  -8.380
  420   2HG1  VAL  67          2HG1      VAL  67  -3.419  12.441  -7.082
  421   3HG1  VAL  67          3HG1      VAL  67  -2.888  14.117  -7.232
  422   1HG2  VAL  67          1HG2      VAL  67  -2.791  11.725 -10.381
  423   2HG2  VAL  67          2HG2      VAL  67  -3.323  13.403 -10.285
  424   3HG2  VAL  67          3HG2      VAL  67  -1.673  13.029 -10.781
  425    H    GLY  68           H        GLY  68   0.362  14.715 -10.527
  426   1HA   GLY  68          1HA       GLY  68   0.070  16.717 -11.702
  427   2HA   GLY  68          2HA       GLY  68  -1.175  17.187 -10.550
  428    H    GLY  69           H        GLY  69   1.675  15.977  -9.172
  429   1HA   GLY  69          1HA       GLY  69   2.558  18.716  -8.518
  430   2HA   GLY  69          2HA       GLY  69   2.665  17.359  -7.404
  431    H    ASN  70           H        ASN  70   4.886  17.556  -7.113
  432    HA   ASN  70           HA       ASN  70   6.654  17.641  -9.382
  433   1HB   ASN  70          1HB       ASN  70   8.090  18.492  -7.893
  434   2HB   ASN  70          2HB       ASN  70   6.841  18.329  -6.666
  435   1HD2  ASN  70          1HD2      ASN  70   6.967  16.679  -5.177
  436   2HD2  ASN  70          2HD2      ASN  70   8.375  15.681  -4.994
  437    H    GLY  71           H        GLY  71   5.489  15.180  -7.177
  438   1HA   GLY  71          1HA       GLY  71   5.814  12.963  -8.661
  439   2HA   GLY  71          2HA       GLY  71   7.442  13.221  -8.040
  440    H    TRP  72           H        TRP  72   6.124  10.911  -7.361
  441    HA   TRP  72           HA       TRP  72   4.530  11.048  -5.046
  442   1HB   TRP  72          1HB       TRP  72   6.294   8.829  -6.104
  443   2HB   TRP  72          2HB       TRP  72   5.229   8.639  -4.717
  444    HD1  TRP  72           HD1      TRP  72   5.283   7.836  -8.202
  445    HE1  TRP  72           HE1      TRP  72   2.923   7.582  -9.194
  446    HE3  TRP  72           HE3      TRP  72   2.562  10.040  -4.481
  447    HZ2  TRP  72           HZ2      TRP  72   0.269   8.186  -8.484
  448    HZ3  TRP  72           HZ3      TRP  72   0.137  10.137  -4.713
  449    HH2  TRP  72           HH2      TRP  72  -1.002   9.235  -6.651
  450    H    GLY  73           H        GLY  73   5.293  12.282  -3.396
  451   1HA   GLY  73          1HA       GLY  73   8.041  11.793  -2.461
  452   2HA   GLY  73          2HA       GLY  73   7.142  13.282  -2.226
  453    H    GLU  74           H        GLU  74   7.100  13.475  -0.068
  454    HA   GLU  74           HA       GLU  74   6.414  11.115   1.525
  455   1HB   GLU  74          1HB       GLU  74   7.473  12.209   3.407
  456   2HB   GLU  74          2HB       GLU  74   8.571  12.194   2.035
  457   1HG   GLU  74          1HG       GLU  74   6.867  14.570   2.718
  458   2HG   GLU  74          2HG       GLU  74   8.477  14.322   3.393
  459    H    ILE  75           H        ILE  75   4.549  10.960   2.554
  460    HA   ILE  75           HA       ILE  75   3.284  13.410   3.555
  461    HB   ILE  75           HB       ILE  75   1.720  11.066   2.445
  462   1HG1  ILE  75          1HG1      ILE  75   2.907  12.625   0.768
  463   2HG1  ILE  75          2HG1      ILE  75   1.185  12.338   0.545
  464   1HG2  ILE  75          1HG2      ILE  75   0.091  11.838   3.758
  465   2HG2  ILE  75          2HG2      ILE  75   1.011  13.289   4.169
  466   3HG2  ILE  75          3HG2      ILE  75   0.033  13.249   2.702
  467   1HD1  ILE  75          1HD1      ILE  75   2.414  14.767   1.828
  468   2HD1  ILE  75          2HD1      ILE  75   1.760  14.671   0.193
  469   3HD1  ILE  75          3HD1      ILE  75   0.692  14.485   1.586
  470    H    LYS  76           H        LYS  76   1.900  10.211   3.940
  471    HA   LYS  76           HA       LYS  76   2.482  10.394   6.814
  472   1HB   LYS  76          1HB       LYS  76   0.113  10.300   6.133
  473   2HB   LYS  76          2HB       LYS  76   0.402   8.749   5.354
  474   1HG   LYS  76          1HG       LYS  76   1.319   8.505   8.007
  475   2HG   LYS  76          2HG       LYS  76  -0.252   9.307   8.076
  476   1HD   LYS  76          1HD       LYS  76  -1.330   7.437   7.528
  477   2HD   LYS  76          2HD       LYS  76  -0.243   7.127   6.172
  478   1HE   LYS  76          1HE       LYS  76   0.496   6.552   9.030
  479   2HE   LYS  76          2HE       LYS  76  -0.302   5.371   7.993
  480   1HZ   LYS  76          1HZ       LYS  76   2.438   6.119   8.097
  481   2HZ   LYS  76          2HZ       LYS  76   1.829   6.316   6.528
  482   3HZ   LYS  76          3HZ       LYS  76   1.719   4.809   7.296
  483    H    ARG  77           H        ARG  77   4.351   9.338   7.259
  484    HA   ARG  77           HA       ARG  77   5.030   6.866   5.861
  485   1HB   ARG  77          1HB       ARG  77   6.437   8.806   7.610
  486   2HB   ARG  77          2HB       ARG  77   6.992   7.142   7.697
  487   1HG   ARG  77          1HG       ARG  77   8.039   7.282   5.742
  488   2HG   ARG  77          2HG       ARG  77   6.663   8.069   4.965
  489   1HD   ARG  77          1HD       ARG  77   8.655   9.501   4.970
  490   2HD   ARG  77          2HD       ARG  77   7.330  10.209   5.893
  491    HE   ARG  77           HE       ARG  77   8.500   9.578   7.921
  492   1HH1  ARG  77          1HH1      ARG  77  10.355   9.376   4.951
  493   2HH1  ARG  77          2HH1      ARG  77  11.894   9.546   5.740
  494   1HH2  ARG  77          1HH2      ARG  77  10.527   9.813   8.965
  495   2HH2  ARG  77          2HH2      ARG  77  11.985   9.817   8.018
  496    H    ASN  78           H        ASN  78   5.472   4.851   6.984
  497    HA   ASN  78           HA       ASN  78   5.091   4.797   9.832
  498   1HB   ASN  78          1HB       ASN  78   3.405   3.111   9.969
  499   2HB   ASN  78          2HB       ASN  78   2.779   4.436   9.012
  500   1HD2  ASN  78          1HD2      ASN  78   4.200   1.205   8.824
  501   2HD2  ASN  78          2HD2      ASN  78   3.361   0.739   7.387
  502    H    ASP  79           H        ASP  79   5.473   2.606  10.741
  503    HA   ASP  79           HA       ASP  79   8.160   2.036   9.985
  504   1HB   ASP  79          1HB       ASP  79   7.218   2.268  12.320
  505   2HB   ASP  79          2HB       ASP  79   6.483   0.687  12.101
  506    H    ILE  80           H        ILE  80   8.978  -0.256  10.058
  507    HA   ILE  80           HA       ILE  80   7.584  -1.795   8.028
  508    HB   ILE  80           HB       ILE  80   9.892  -3.168   9.012
  509   1HG1  ILE  80          1HG1      ILE  80  11.269  -0.979   7.972
  510   2HG1  ILE  80          2HG1      ILE  80  10.110  -0.261   9.086
  511   1HG2  ILE  80          1HG2      ILE  80  10.317  -3.409   6.815
  512   2HG2  ILE  80          2HG2      ILE  80   8.666  -2.814   6.654
  513   3HG2  ILE  80          3HG2      ILE  80  10.024  -1.707   6.456
  514   1HD1  ILE  80          1HD1      ILE  80  12.345  -0.801  10.063
  515   2HD1  ILE  80          2HD1      ILE  80  10.973  -1.510  10.912
  516   3HD1  ILE  80          3HD1      ILE  80  11.959  -2.507   9.842
  517    H    ASP  81           H        ASP  81   7.232  -4.081   8.239
  518    HA   ASP  81           HA       ASP  81   6.000  -5.735   9.198
  519   1HB   ASP  81          1HB       ASP  81   8.349  -6.061  10.223
  520   2HB   ASP  81          2HB       ASP  81   7.652  -5.381  11.690
  521    H    LYS  82           H        LYS  82   4.868  -3.240   9.357
  522    HA   LYS  82           HA       LYS  82   3.465  -3.350  11.920
  523   1HB   LYS  82          1HB       LYS  82   5.416  -1.607  11.722
  524   2HB   LYS  82          2HB       LYS  82   4.237  -0.693  10.794
  525   1HG   LYS  82          1HG       LYS  82   2.779  -0.509  12.640
  526   2HG   LYS  82          2HG       LYS  82   3.670  -1.727  13.556
  527   1HD   LYS  82          1HD       LYS  82   5.492   0.315  12.823
  528   2HD   LYS  82          2HD       LYS  82   4.055   1.089  13.493
  529   1HE   LYS  82          1HE       LYS  82   5.132   0.715  15.446
  530   2HE   LYS  82          2HE       LYS  82   4.379  -0.869  15.290
  531   1HZ   LYS  82          1HZ       LYS  82   7.076  -0.335  14.192
  532   2HZ   LYS  82          2HZ       LYS  82   6.360  -1.827  14.572
  533   3HZ   LYS  82          3HZ       LYS  82   6.848  -0.779  15.814
  534    HA   PRO  83           HA       PRO  83   0.052  -2.140   9.278
  535   1HB   PRO  83          1HB       PRO  83  -1.743  -2.837  11.367
  536   2HB   PRO  83          2HB       PRO  83  -1.382  -3.787   9.926
  537   1HG   PRO  83          1HG       PRO  83  -0.748  -4.505  12.544
  538   2HG   PRO  83          2HG       PRO  83  -0.042  -5.209  11.079
  539   1HD   PRO  83          1HD       PRO  83   1.054  -3.105  12.896
  540   2HD   PRO  83          2HD       PRO  83   1.905  -4.401  12.022
  541    H    LEU  84           H        LEU  84   0.438   0.033   9.406
  542    HA   LEU  84           HA       LEU  84  -0.820   1.438  11.649
  543   1HB   LEU  84          1HB       LEU  84   1.760   1.427  11.664
  544   2HB   LEU  84          2HB       LEU  84   1.643   2.477  10.266
  545    HG   LEU  84           HG       LEU  84   0.192   3.234  12.769
  546   1HD1  LEU  84          1HD1      LEU  84   2.040   4.019  13.859
  547   2HD1  LEU  84          2HD1      LEU  84   2.714   2.568  13.115
  548   3HD1  LEU  84          3HD1      LEU  84   2.996   4.148  12.382
  549   1HD2  LEU  84          1HD2      LEU  84   0.555   4.381  10.258
  550   2HD2  LEU  84          2HD2      LEU  84  -0.093   5.166  11.700
  551   3HD2  LEU  84          3HD2      LEU  84   1.629   5.285  11.327
  552    H    LYS  85           H        LYS  85  -2.631   2.065  10.618
  553    HA   LYS  85           HA       LYS  85  -2.281   3.338   8.002
  554   1HB   LYS  85          1HB       LYS  85  -4.410   1.517   9.008
  555   2HB   LYS  85          2HB       LYS  85  -4.734   2.634   7.679
  556   1HG   LYS  85          1HG       LYS  85  -2.412   0.733   7.710
  557   2HG   LYS  85          2HG       LYS  85  -3.975   0.350   6.994
  558   1HD   LYS  85          1HD       LYS  85  -3.085   1.228   5.120
  559   2HD   LYS  85          2HD       LYS  85  -3.462   2.775   5.876
  560   1HE   LYS  85          1HE       LYS  85  -1.085   2.374   4.937
  561   2HE   LYS  85          2HE       LYS  85  -1.270   3.151   6.508
  562   1HZ   LYS  85          1HZ       LYS  85   0.242   0.946   5.952
  563   2HZ   LYS  85          2HZ       LYS  85  -1.113   0.308   6.738
  564   3HZ   LYS  85          3HZ       LYS  85  -0.185   1.511   7.491
  565    H    TYR  86           H        TYR  86  -2.817   5.380   7.821
  566    HA   TYR  86           HA       TYR  86  -4.584   6.592   9.801
  567   1HB   TYR  86          1HB       TYR  86  -2.153   6.599  10.541
  568   2HB   TYR  86          2HB       TYR  86  -1.865   7.744   9.239
  569    HD1  TYR  86           HD1      TYR  86  -2.147  10.013   9.623
  570    HD2  TYR  86           HD2      TYR  86  -4.014   7.237  12.254
  571    HE1  TYR  86           HE1      TYR  86  -2.833  11.867  11.084
  572    HE2  TYR  86           HE2      TYR  86  -4.708   9.085  13.718
  573    HH   TYR  86           HH       TYR  86  -4.952  11.355  13.841
  574    H    GLU  87           H        GLU  87  -5.720   8.252   9.095
  575    HA   GLU  87           HA       GLU  87  -4.902  10.250   7.349
  576   1HB   GLU  87          1HB       GLU  87  -5.042   8.724   5.505
  577   2HB   GLU  87          2HB       GLU  87  -6.574   8.080   6.065
  578   1HG   GLU  87          1HG       GLU  87  -6.960   9.452   4.146
  579   2HG   GLU  87          2HG       GLU  87  -7.630  10.259   5.561
  580    H    ASP  88           H        ASP  88  -6.749  11.748   6.913
  581    HA   ASP  88           HA       ASP  88  -8.379  11.924   9.249
  582   1HB   ASP  88          1HB       ASP  88  -7.406  13.862   7.936
  583   2HB   ASP  88          2HB       ASP  88  -8.665  13.570   6.740
  584    H    TYR  89           H        TYR  89  -9.314   9.697   8.715
  585    HA   TYR  89           HA       TYR  89 -11.599   9.771   6.926
  586   1HB   TYR  89          1HB       TYR  89 -10.175   7.730   8.485
  587   2HB   TYR  89          2HB       TYR  89 -11.923   7.527   8.496
  588    HD1  TYR  89           HD1      TYR  89 -11.087   5.306   7.370
  589    HD2  TYR  89           HD2      TYR  89 -10.934   9.133   5.508
  590    HE1  TYR  89           HE1      TYR  89 -10.972   4.222   5.160
  591    HE2  TYR  89           HE2      TYR  89 -10.820   8.060   3.299
  592    HH   TYR  89           HH       TYR  89 -10.016   4.963   2.789
  593    H    TYR  90           H        TYR  90 -10.936  11.124   9.774
  594    HA   TYR  90           HA       TYR  90 -13.455  10.635  11.132
  595   1HB   TYR  90          1HB       TYR  90 -10.977  12.216  11.749
  596   2HB   TYR  90          2HB       TYR  90 -12.458  12.518  12.647
  597    HD1  TYR  90           HD1      TYR  90 -11.734  11.819  14.773
  598    HD2  TYR  90           HD2      TYR  90 -11.323   9.189  11.458
  599    HE1  TYR  90           HE1      TYR  90 -11.166   9.988  16.307
  600    HE2  TYR  90           HE2      TYR  90 -10.753   7.347  12.984
  601    HH   TYR  90           HH       TYR  90  -9.849   7.806  16.144
  602    H    THR  91           H        THR  91 -11.735  13.378   9.654
  603    HA   THR  91           HA       THR  91 -14.256  14.876   9.606
  604    HB   THR  91           HB       THR  91 -11.849  16.242   8.626
  605    HG1  THR  91           HG1      THR  91 -10.845  15.005  10.241
  606   1HG2  THR  91          1HG2      THR  91 -13.695  17.614   9.033
  607   2HG2  THR  91          2HG2      THR  91 -12.681  17.859  10.457
  608   3HG2  THR  91          3HG2      THR  91 -14.085  16.795  10.547
  609    H    SER  92           H        SER  92 -11.504  15.080   7.373
  610    HA   SER  92           HA       SER  92 -13.038  13.981   5.187
  611   1HB   SER  92          1HB       SER  92 -12.371  16.933   5.282
  612   2HB   SER  92          2HB       SER  92 -12.813  16.081   3.802
  613    HG   SER  92           HG       SER  92 -14.503  15.737   5.979
  614    H    GLY  93           H        GLY  93 -11.614  12.751   4.187
  615   1HA   GLY  93          1HA       GLY  93  -9.264  13.734   2.995
  616   2HA   GLY  93          2HA       GLY  93  -8.838  12.918   4.494
  617    H    LEU  94           H        LEU  94  -8.678  12.383   1.422
  618    HA   LEU  94           HA       LEU  94  -8.951   9.526   1.675
  619   1HB   LEU  94          1HB       LEU  94 -11.223  10.699   0.918
  620   2HB   LEU  94          2HB       LEU  94 -10.434  10.644  -0.648
  621    HG   LEU  94           HG       LEU  94 -10.165   8.069   0.503
  622   1HD1  LEU  94          1HD1      LEU  94 -12.700   9.400   1.156
  623   2HD1  LEU  94          2HD1      LEU  94 -12.855   7.818   0.390
  624   3HD1  LEU  94          3HD1      LEU  94 -11.932   7.990   1.884
  625   1HD2  LEU  94          1HD2      LEU  94 -10.263   8.044  -1.766
  626   2HD2  LEU  94          2HD2      LEU  94 -11.958   7.698  -1.431
  627   3HD2  LEU  94          3HD2      LEU  94 -11.455   9.338  -1.841
  628    H    SER  95           H        SER  95  -7.145  11.957   0.817
  629    HA   SER  95           HA       SER  95  -6.354  10.964  -1.820
  630   1HB   SER  95          1HB       SER  95  -4.823  13.223  -0.860
  631   2HB   SER  95          2HB       SER  95  -5.874  13.109  -2.273
  632    HG   SER  95           HG       SER  95  -7.332  14.170  -1.211
  633    H    TRP  96           H        TRP  96  -4.853   9.447  -1.855
  634    HA   TRP  96           HA       TRP  96  -2.299   9.704  -0.713
  635   1HB   TRP  96          1HB       TRP  96  -2.461   7.771   0.923
  636   2HB   TRP  96          2HB       TRP  96  -3.300   9.233   1.435
  637    HD1  TRP  96           HD1      TRP  96  -5.840   8.975   2.012
  638    HE1  TRP  96           HE1      TRP  96  -7.547   7.054   1.805
  639    HE3  TRP  96           HE3      TRP  96  -2.991   5.695  -0.618
  640    HZ2  TRP  96           HZ2      TRP  96  -7.658   4.470   0.666
  641    HZ3  TRP  96           HZ3      TRP  96  -3.959   3.496  -1.236
  642    HH2  TRP  96           HH2      TRP  96  -6.246   2.902  -0.603
  643    H    ILE  97           H        ILE  97  -1.090   7.555  -0.836
  644    HA   ILE  97           HA       ILE  97  -2.167   5.660  -2.759
  645    HB   ILE  97           HB       ILE  97  -0.667   7.692  -3.735
  646   1HG1  ILE  97          1HG1      ILE  97   0.009   5.896  -5.534
  647   2HG1  ILE  97          2HG1      ILE  97  -1.077   4.874  -4.596
  648   1HG2  ILE  97          1HG2      ILE  97   1.413   7.433  -2.878
  649   2HG2  ILE  97          2HG2      ILE  97   1.246   5.688  -2.689
  650   3HG2  ILE  97          3HG2      ILE  97   1.566   6.377  -4.281
  651   1HD1  ILE  97          1HD1      ILE  97  -1.679   7.000  -6.467
  652   2HD1  ILE  97          2HD1      ILE  97  -2.708   5.709  -5.850
  653   3HD1  ILE  97          3HD1      ILE  97  -2.514   7.200  -4.928
  654    H    TRP  98           H        TRP  98  -0.999   3.619  -2.737
  655    HA   TRP  98           HA       TRP  98   0.328   3.052  -0.220
  656   1HB   TRP  98          1HB       TRP  98  -0.443   1.398  -2.618
  657   2HB   TRP  98          2HB       TRP  98   0.638   0.750  -1.401
  658    HD1  TRP  98           HD1      TRP  98  -1.748  -0.940  -1.729
  659    HE1  TRP  98           HE1      TRP  98  -3.675  -1.102  -0.067
  660    HE3  TRP  98           HE3      TRP  98  -1.097   3.509   0.778
  661    HZ2  TRP  98           HZ2      TRP  98  -4.789   0.392   2.013
  662    HZ3  TRP  98           HZ3      TRP  98  -2.673   4.018   2.598
  663    HH2  TRP  98           HH2      TRP  98  -4.462   2.462   3.206
  664    H    LYS  99           H        LYS  99   2.310   4.255  -0.354
  665    HA   LYS  99           HA       LYS  99   4.061   3.518  -2.599
  666   1HB   LYS  99          1HB       LYS  99   3.499   6.006  -1.568
  667   2HB   LYS  99          2HB       LYS  99   5.046   5.624  -0.825
  668   1HG   LYS  99          1HG       LYS  99   4.849   5.096  -3.716
  669   2HG   LYS  99          2HG       LYS  99   4.782   6.790  -3.232
  670   1HD   LYS  99          1HD       LYS  99   6.893   5.131  -1.981
  671   2HD   LYS  99          2HD       LYS  99   7.077   5.482  -3.702
  672   1HE   LYS  99          1HE       LYS  99   6.314   7.892  -2.450
  673   2HE   LYS  99          2HE       LYS  99   7.570   7.173  -1.443
  674   1HZ   LYS  99          1HZ       LYS  99   8.048   7.214  -4.331
  675   2HZ   LYS  99          2HZ       LYS  99   9.133   7.435  -3.046
  676   3HZ   LYS  99          3HZ       LYS  99   8.113   8.700  -3.520
  677    H    ILE 100           H        ILE 100   5.714   2.237  -2.310
  678    HA   ILE 100           HA       ILE 100   6.763   1.823   0.420
  679    HB   ILE 100           HB       ILE 100   7.726  -0.297  -1.034
  680   1HG1  ILE 100          1HG1      ILE 100   4.796  -0.250  -1.689
  681   2HG1  ILE 100          2HG1      ILE 100   5.950   0.494  -2.793
  682   1HG2  ILE 100          1HG2      ILE 100   7.019  -0.586   1.168
  683   2HG2  ILE 100          2HG2      ILE 100   5.393   0.002   0.822
  684   3HG2  ILE 100          3HG2      ILE 100   5.908  -1.576   0.221
  685   1HD1  ILE 100          1HD1      ILE 100   6.693  -1.480  -3.534
  686   2HD1  ILE 100          2HD1      ILE 100   6.666  -2.209  -1.928
  687   3HD1  ILE 100          3HD1      ILE 100   5.180  -2.102  -2.872
  688    H    LYS 101           H        LYS 101   8.482   3.072   0.600
  689    HA   LYS 101           HA       LYS 101  10.478   2.955  -1.563
  690   1HB   LYS 101          1HB       LYS 101  11.279   5.104  -0.936
  691   2HB   LYS 101          2HB       LYS 101   9.531   5.236  -1.000
  692   1HG   LYS 101          1HG       LYS 101   9.651   6.176   1.008
  693   2HG   LYS 101          2HG       LYS 101  10.038   4.574   1.638
  694   1HD   LYS 101          1HD       LYS 101  11.831   5.726   2.444
  695   2HD   LYS 101          2HD       LYS 101  12.479   5.268   0.868
  696   1HE   LYS 101          1HE       LYS 101  11.036   7.678   0.528
  697   2HE   LYS 101          2HE       LYS 101  12.061   7.878   1.948
  698   1HZ   LYS 101          1HZ       LYS 101  12.916   7.124  -0.795
  699   2HZ   LYS 101          2HZ       LYS 101  13.938   7.072   0.556
  700   3HZ   LYS 101          3HZ       LYS 101  13.289   8.551   0.045
  701    H    ASN 102           H        ASN 102  12.522   2.289  -1.080
  702    HA   ASN 102           HA       ASN 102  12.939   1.485   1.715
  703   1HB   ASN 102          1HB       ASN 102  13.827  -0.577   1.094
  704   2HB   ASN 102          2HB       ASN 102  12.486  -0.364  -0.031
  705   1HD2  ASN 102          1HD2      ASN 102  15.262  -1.750  -0.006
  706   2HD2  ASN 102          2HD2      ASN 102  15.905  -1.337  -1.551
  707    H    ASN 103           H        ASN 103  14.952   1.713   2.600
  708    HA   ASN 103           HA       ASN 103  16.608   3.719   1.274
  709   1HB   ASN 103          1HB       ASN 103  16.841   2.613   4.081
  710   2HB   ASN 103          2HB       ASN 103  17.653   4.037   3.444
  711   1HD2  ASN 103          1HD2      ASN 103  15.283   3.098   5.402
  712   2HD2  ASN 103          2HD2      ASN 103  14.191   4.445   5.255
  713    H    SER 104           H        SER 104  16.516   0.385   1.730
  714    HA   SER 104           HA       SER 104  19.319  -0.119   1.876
  715   1HB   SER 104          1HB       SER 104  17.996  -2.372   0.797
  716   2HB   SER 104          2HB       SER 104  18.498  -2.117   2.467
  717    HG   SER 104           HG       SER 104  16.210  -2.556   2.147
  718    H    SER 105           H        SER 105  20.718  -0.741   0.238
  719    HA   SER 105           HA       SER 105  19.868  -0.080  -2.481
  720   1HB   SER 105          1HB       SER 105  22.535  -0.770  -2.625
  721   2HB   SER 105          2HB       SER 105  21.920   0.870  -2.412
  722    HG   SER 105           HG       SER 105  23.000  -0.908  -0.526
  723    H    GLU 106           H        GLU 106  20.088  -2.675  -0.450
  724    HA   GLU 106           HA       GLU 106  20.783  -4.688  -2.406
  725   1HB   GLU 106          1HB       GLU 106  19.610  -5.078   0.351
  726   2HB   GLU 106          2HB       GLU 106  20.488  -6.260  -0.610
  727   1HG   GLU 106          1HG       GLU 106  22.204  -5.662   0.699
  728   2HG   GLU 106          2HG       GLU 106  22.348  -4.327  -0.441
  729    H    THR 107           H        THR 107  19.393  -6.047  -3.450
  730    HA   THR 107           HA       THR 107  16.710  -5.346  -3.862
  731    HB   THR 107           HB       THR 107  17.703  -8.154  -4.246
  732    HG1  THR 107           HG1      THR 107  18.251  -6.037  -6.076
  733   1HG2  THR 107          1HG2      THR 107  15.655  -6.369  -5.454
  734   2HG2  THR 107          2HG2      THR 107  15.576  -8.091  -5.082
  735   3HG2  THR 107          3HG2      THR 107  16.450  -7.536  -6.509
  736    H    SER 108           H        SER 108  15.084  -5.497  -2.462
  737    HA   SER 108           HA       SER 108  15.239  -7.560  -0.367
  738   1HB   SER 108          1HB       SER 108  13.598  -5.072  -0.047
  739   2HB   SER 108          2HB       SER 108  14.354  -6.076   1.189
  740    HG   SER 108           HG       SER 108  16.099  -4.859  -0.588
  741    H    ASN 109           H        ASN 109  13.641  -8.997  -0.231
  742    HA   ASN 109           HA       ASN 109  11.333  -8.788  -1.978
  743   1HB   ASN 109          1HB       ASN 109  12.454 -10.951  -1.679
  744   2HB   ASN 109          2HB       ASN 109  12.144 -10.886   0.051
  745   1HD2  ASN 109          1HD2      ASN 109  11.148 -12.917  -0.211
  746   2HD2  ASN 109          2HD2      ASN 109   9.517 -13.031  -0.775
  747    H    TYR 110           H        TYR 110   9.528  -7.767  -1.368
  748    HA   TYR 110           HA       TYR 110   9.194  -7.190   1.493
  749   1HB   TYR 110          1HB       TYR 110   7.800  -5.283   0.788
  750   2HB   TYR 110          2HB       TYR 110   9.422  -5.194   0.121
  751    HD1  TYR 110           HD1      TYR 110   9.742  -4.956  -2.188
  752    HD2  TYR 110           HD2      TYR 110   5.922  -6.129  -0.738
  753    HE1  TYR 110           HE1      TYR 110   8.805  -4.666  -4.440
  754    HE2  TYR 110           HE2      TYR 110   4.972  -5.850  -2.989
  755    HH   TYR 110           HH       TYR 110   6.589  -4.232  -5.467
  756    H    SER 111           H        SER 111   7.249  -7.454   2.518
  757    HA   SER 111           HA       SER 111   5.220  -9.013   1.089
  758   1HB   SER 111          1HB       SER 111   4.828  -8.563   3.965
  759   2HB   SER 111          2HB       SER 111   4.784 -10.071   3.048
  760    HG   SER 111           HG       SER 111   6.744 -10.459   3.673
  761    H    LEU 112           H        LEU 112   4.031  -7.568   0.020
  762    HA   LEU 112           HA       LEU 112   3.644  -4.911   0.969
  763   1HB   LEU 112          1HB       LEU 112   3.856  -5.761  -1.475
  764   2HB   LEU 112          2HB       LEU 112   2.127  -6.022  -1.349
  765    HG   LEU 112           HG       LEU 112   1.686  -3.721  -1.041
  766   1HD1  LEU 112          1HD1      LEU 112   4.095  -2.353  -1.179
  767   2HD1  LEU 112          2HD1      LEU 112   3.059  -2.537   0.239
  768   3HD1  LEU 112          3HD1      LEU 112   4.392  -3.661  -0.034
  769   1HD2  LEU 112          1HD2      LEU 112   3.658  -4.352  -3.183
  770   2HD2  LEU 112          2HD2      LEU 112   1.944  -3.953  -3.307
  771   3HD2  LEU 112          3HD2      LEU 112   3.120  -2.686  -2.962
  772    H    ASP 113           H        ASP 113   1.545  -3.877   0.882
  773    HA   ASP 113           HA       ASP 113   0.102  -4.964   3.074
  774   1HB   ASP 113          1HB       ASP 113  -0.986  -2.550   1.870
  775   2HB   ASP 113          2HB       ASP 113  -0.386  -2.830   3.501
  776    H    ALA 114           H        ALA 114  -2.167  -4.743   3.266
  777    HA   ALA 114           HA       ALA 114  -3.603  -6.341   1.551
  778   1HB   ALA 114          1HB       ALA 114  -4.702  -4.383   3.521
  779   2HB   ALA 114          2HB       ALA 114  -5.364  -5.958   3.057
  780   3HB   ALA 114          3HB       ALA 114  -3.877  -5.872   4.005
  781    H    THR 115           H        THR 115  -3.750  -5.442  -0.558
  782    HA   THR 115           HA       THR 115  -6.362  -4.260  -0.639
  783    HB   THR 115           HB       THR 115  -5.413  -2.853  -2.720
  784    HG1  THR 115           HG1      THR 115  -3.280  -3.239  -0.922
  785   1HG2  THR 115          1HG2      THR 115  -5.257  -0.918  -0.998
  786   2HG2  THR 115          2HG2      THR 115  -5.714  -2.146   0.186
  787   3HG2  THR 115          3HG2      THR 115  -6.792  -1.772  -1.164
  788    H    VAL 116           H        VAL 116  -7.463  -5.781  -1.837
  789    HA   VAL 116           HA       VAL 116  -6.135  -6.890  -4.179
  790    HB   VAL 116           HB       VAL 116  -5.460  -8.145  -2.008
  791   1HG1  VAL 116          1HG1      VAL 116  -7.296 -10.192  -2.124
  792   2HG1  VAL 116          2HG1      VAL 116  -7.149  -8.983  -0.849
  793   3HG1  VAL 116          3HG1      VAL 116  -8.297  -8.736  -2.171
  794   1HG2  VAL 116          1HG2      VAL 116  -5.351 -10.281  -3.280
  795   2HG2  VAL 116          2HG2      VAL 116  -6.351  -9.533  -4.527
  796   3HG2  VAL 116          3HG2      VAL 116  -4.752  -8.879  -4.168
  797    H    HIS 117           H        HIS 117  -7.380  -8.500  -5.308
  798    HA   HIS 117           HA       HIS 117  -9.612  -8.369  -6.457
  799   1HB   HIS 117          1HB       HIS 117  -8.165 -10.490  -5.908
  800   2HB   HIS 117          2HB       HIS 117  -9.480 -10.852  -4.798
  801    HD1  HIS 117           HD1      HIS 117 -10.531 -12.796  -5.979
  802    HD2  HIS 117           HD2      HIS 117 -10.003  -9.506  -8.472
  803    HE1  HIS 117           HE1      HIS 117 -11.695 -13.381  -8.127
  804    HE2  HIS 117           HE2      HIS 117 -11.221 -11.451  -9.676
  805    H    ASP 118           H        ASP 118 -11.257  -7.114  -5.797
  806    HA   ASP 118           HA       ASP 118 -13.196  -8.475  -4.129
  807   1HB   ASP 118          1HB       ASP 118 -11.936  -6.760  -2.692
  808   2HB   ASP 118          2HB       ASP 118 -12.717  -5.528  -3.678
  809    H    ASP 119           H        ASP 119 -14.776  -5.817  -4.288
  810    HA   ASP 119           HA       ASP 119 -15.513  -6.110  -7.129
  811   1HB   ASP 119          1HB       ASP 119 -17.296  -6.784  -5.577
  812   2HB   ASP 119          2HB       ASP 119 -17.230  -5.197  -4.811
  813    H    LYS 120           H        LYS 120 -15.410  -4.414  -8.431
  814    HA   LYS 120           HA       LYS 120 -15.754  -1.722  -7.562
  815   1HB   LYS 120          1HB       LYS 120 -13.151  -2.667  -7.298
  816   2HB   LYS 120          2HB       LYS 120 -13.132  -1.837  -8.845
  817   1HG   LYS 120          1HG       LYS 120 -14.281   0.086  -7.531
  818   2HG   LYS 120          2HG       LYS 120 -13.625  -0.738  -6.115
  819   1HD   LYS 120          1HD       LYS 120 -11.447  -0.297  -6.700
  820   2HD   LYS 120          2HD       LYS 120 -11.814  -0.219  -8.424
  821   1HE   LYS 120          1HE       LYS 120 -13.185   1.861  -6.951
  822   2HE   LYS 120          2HE       LYS 120 -11.442   1.925  -6.687
  823   1HZ   LYS 120          1HZ       LYS 120 -11.958   3.253  -8.574
  824   2HZ   LYS 120          2HZ       LYS 120 -12.875   2.019  -9.285
  825   3HZ   LYS 120          3HZ       LYS 120 -11.191   1.853  -9.148
  826    H    GLU 121           H        GLU 121 -15.180  -0.219  -9.542
  827    HA   GLU 121           HA       GLU 121 -16.501  -1.508 -11.801
  828   1HB   GLU 121          1HB       GLU 121 -15.999   1.246 -12.322
  829   2HB   GLU 121          2HB       GLU 121 -17.538   0.455 -12.019
  830   1HG   GLU 121          1HG       GLU 121 -17.499   2.098 -10.412
  831   2HG   GLU 121          2HG       GLU 121 -16.896   0.698  -9.525
  832    H    ASP 122           H        ASP 122 -13.674   0.600 -11.238
  833    HA   ASP 122           HA       ASP 122 -12.446  -0.654 -13.603
  834   1HB   ASP 122          1HB       ASP 122 -11.714   1.342 -14.455
  835   2HB   ASP 122          2HB       ASP 122 -13.201   1.881 -13.688
  836    H    SER 123           H        SER 123  -9.967  -0.189 -13.577
  837    HA   SER 123           HA       SER 123  -9.071  -1.658 -11.279
  838   1HB   SER 123          1HB       SER 123  -6.922  -0.838 -12.998
  839   2HB   SER 123          2HB       SER 123  -7.601  -2.450 -12.762
  840    HG   SER 123           HG       SER 123  -8.467  -0.442 -14.582
  841    H    ASP 124           H        ASP 124  -7.363  -1.106  -9.880
  842    HA   ASP 124           HA       ASP 124  -6.863   1.775  -9.631
  843   1HB   ASP 124          1HB       ASP 124  -6.502  -0.354  -7.508
  844   2HB   ASP 124          2HB       ASP 124  -6.470   1.390  -7.283
  845    H    VAL 125           H        VAL 125  -5.358  -1.404  -9.111
  846    HA   VAL 125           HA       VAL 125  -2.718  -0.237  -9.599
  847    HB   VAL 125           HB       VAL 125  -3.090  -3.132  -8.970
  848   1HG1  VAL 125          1HG1      VAL 125  -0.880  -1.985  -9.489
  849   2HG1  VAL 125          2HG1      VAL 125  -1.042  -1.207  -7.913
  850   3HG1  VAL 125          3HG1      VAL 125  -0.948  -2.966  -8.024
  851   1HG2  VAL 125          1HG2      VAL 125  -3.517  -0.864  -7.054
  852   2HG2  VAL 125          2HG2      VAL 125  -4.492  -2.315  -7.292
  853   3HG2  VAL 125          3HG2      VAL 125  -2.916  -2.431  -6.508
  854    H    LEU 126           H        LEU 126  -2.192  -0.129 -11.688
  855    HA   LEU 126           HA       LEU 126  -2.121  -2.618 -13.179
  856   1HB   LEU 126          1HB       LEU 126  -4.263  -1.069 -13.645
  857   2HB   LEU 126          2HB       LEU 126  -3.128  -0.308 -14.744
  858    HG   LEU 126           HG       LEU 126  -2.789  -2.953 -15.352
  859   1HD1  LEU 126          1HD1      LEU 126  -4.911  -4.020 -15.484
  860   2HD1  LEU 126          2HD1      LEU 126  -4.699  -3.479 -13.820
  861   3HD1  LEU 126          3HD1      LEU 126  -5.744  -2.574 -14.916
  862   1HD2  LEU 126          1HD2      LEU 126  -4.834  -2.044 -17.035
  863   2HD2  LEU 126          2HD2      LEU 126  -3.946  -0.604 -16.533
  864   3HD2  LEU 126          3HD2      LEU 126  -3.094  -1.941 -17.305
  865    H    THR 127           H        THR 127  -1.489   0.875 -13.308
  866    HA   THR 127           HA       THR 127   0.605   0.694 -15.198
  867    HB   THR 127           HB       THR 127   0.941   3.003 -13.569
  868    HG1  THR 127           HG1      THR 127  -1.515   3.532 -14.191
  869   1HG2  THR 127          1HG2      THR 127  -0.357   3.918 -15.732
  870   2HG2  THR 127          2HG2      THR 127   0.085   2.315 -16.320
  871   3HG2  THR 127          3HG2      THR 127   1.336   3.429 -15.768
  872    H    LYS 128           H        LYS 128   0.576   0.994 -11.662
  873    HA   LYS 128           HA       LYS 128   2.120   0.576 -10.053
  874   1HB   LYS 128          1HB       LYS 128   2.478  -1.532 -11.469
  875   2HB   LYS 128          2HB       LYS 128   3.880  -0.711 -12.139
  876   1HG   LYS 128          1HG       LYS 128   3.928  -0.603  -9.261
  877   2HG   LYS 128          2HG       LYS 128   3.765  -2.267  -9.827
  878   1HD   LYS 128          1HD       LYS 128   5.847  -0.330 -10.835
  879   2HD   LYS 128          2HD       LYS 128   6.127  -1.493  -9.539
  880   1HE   LYS 128          1HE       LYS 128   6.211  -3.257 -10.957
  881   2HE   LYS 128          2HE       LYS 128   5.006  -2.575 -12.049
  882   1HZ   LYS 128          1HZ       LYS 128   6.775  -0.962 -12.747
  883   2HZ   LYS 128          2HZ       LYS 128   7.048  -2.571 -13.201
  884   3HZ   LYS 128          3HZ       LYS 128   7.890  -1.907 -11.885
  885    H    CYS 129           H        CYS 129   2.678   2.654  -9.627
  886    HA   CYS 129           HA       CYS 129   4.332   4.211 -11.350
  887   1HB   CYS 129          1HB       CYS 129   4.160   5.094  -8.562
  888   2HB   CYS 129          2HB       CYS 129   3.696   5.930 -10.040
  889    HA   PRO 130           HA       PRO 130   8.181   2.893  -9.453
  890   1HB   PRO 130          1HB       PRO 130   9.707   3.935 -11.524
  891   2HB   PRO 130          2HB       PRO 130   9.016   2.314 -11.486
  892   1HG   PRO 130          1HG       PRO 130   8.323   4.462 -13.229
  893   2HG   PRO 130          2HG       PRO 130   7.577   2.859 -13.135
  894   1HD   PRO 130          1HD       PRO 130   6.675   5.436 -11.978
  895   2HD   PRO 130          2HD       PRO 130   5.724   4.007 -12.441
  896    H    VAL 131           H        VAL 131   6.891   5.368  -8.643
  897    HA   VAL 131           HA       VAL 131   9.250   7.109  -8.363
  898    HB   VAL 131           HB       VAL 131   6.650   8.416  -7.949
  899   1HG1  VAL 131          1HG1      VAL 131   8.030  10.133  -8.052
  900   2HG1  VAL 131          2HG1      VAL 131   9.346   9.099  -8.609
  901   3HG1  VAL 131          3HG1      VAL 131   8.240   9.824  -9.777
  902   1HG2  VAL 131          1HG2      VAL 131   5.662   8.083  -9.892
  903   2HG2  VAL 131          2HG2      VAL 131   7.120   8.560 -10.764
  904   3HG2  VAL 131          3HG2      VAL 131   6.889   6.877 -10.286
  Start of MODEL   16
    1   1H    ARG  14          1H        ARG  14  -4.750 -20.807  -1.240
    2    HA   ARG  14           HA       ARG  14  -4.531 -18.794  -3.259
    3   1HB   ARG  14          1HB       ARG  14  -6.626 -20.557  -2.183
    4   2HB   ARG  14          2HB       ARG  14  -7.216 -18.996  -2.730
    5   1HG   ARG  14          1HG       ARG  14  -7.299 -20.801  -4.438
    6   2HG   ARG  14          2HG       ARG  14  -6.394 -19.367  -4.931
    7   1HD   ARG  14          1HD       ARG  14  -4.932 -20.986  -5.591
    8   2HD   ARG  14          2HD       ARG  14  -4.369 -20.738  -3.939
    9    HE   ARG  14           HE       ARG  14  -5.578 -22.739  -3.306
   10   1HH1  ARG  14          1HH1      ARG  14  -5.182 -22.189  -6.748
   11   2HH1  ARG  14          2HH1      ARG  14  -5.354 -23.875  -7.159
   12   1HH2  ARG  14          1HH2      ARG  14  -5.789 -24.960  -3.856
   13   2HH2  ARG  14          2HH2      ARG  14  -5.688 -25.430  -5.530
   14    H    ILE  15           H        ILE  15  -4.314 -16.689  -2.824
   15    HA   ILE  15           HA       ILE  15  -5.273 -15.668  -0.285
   16    HB   ILE  15           HB       ILE  15  -4.217 -13.549  -0.881
   17   1HG1  ILE  15          1HG1      ILE  15  -2.989 -14.741  -3.333
   18   2HG1  ILE  15          2HG1      ILE  15  -4.612 -14.063  -3.452
   19   1HG2  ILE  15          1HG2      ILE  15  -2.754 -16.106  -0.855
   20   2HG2  ILE  15          2HG2      ILE  15  -1.833 -14.688  -1.361
   21   3HG2  ILE  15          3HG2      ILE  15  -2.627 -14.708   0.214
   22   1HD1  ILE  15          1HD1      ILE  15  -2.129 -12.719  -3.528
   23   2HD1  ILE  15          2HD1      ILE  15  -3.754 -12.038  -3.634
   24   3HD1  ILE  15          3HD1      ILE  15  -2.971 -12.207  -2.062
   25    HA   PRO  16           HA       PRO  16  -9.078 -14.434  -2.135
   26   1HB   PRO  16          1HB       PRO  16  -9.905 -13.327   0.379
   27   2HB   PRO  16          2HB       PRO  16 -10.350 -14.879  -0.328
   28   1HG   PRO  16          1HG       PRO  16  -8.800 -14.579   1.933
   29   2HG   PRO  16          2HG       PRO  16  -8.798 -16.012   0.891
   30   1HD   PRO  16          1HD       PRO  16  -6.866 -13.730   0.977
   31   2HD   PRO  16          2HD       PRO  16  -6.556 -15.464   0.744
   32    H    ASN  17           H        ASN  17  -9.695 -12.071   0.113
   33    HA   ASN  17           HA       ASN  17  -9.569 -10.072  -1.980
   34   1HB   ASN  17          1HB       ASN  17 -10.958  -8.717  -0.427
   35   2HB   ASN  17          2HB       ASN  17 -11.658 -10.291  -0.788
   36   1HD2  ASN  17          1HD2      ASN  17 -12.045 -11.699   0.846
   37   2HD2  ASN  17          2HD2      ASN  17 -11.708 -11.362   2.510
   38    H    ILE  18           H        ILE  18  -7.164 -10.979  -0.328
   39    HA   ILE  18           HA       ILE  18  -6.397  -8.348   0.735
   40    HB   ILE  18           HB       ILE  18  -4.336  -9.852   1.531
   41   1HG1  ILE  18          1HG1      ILE  18  -6.360 -11.869   2.191
   42   2HG1  ILE  18          2HG1      ILE  18  -5.968 -11.809   0.476
   43   1HG2  ILE  18          1HG2      ILE  18  -6.095 -10.339   3.571
   44   2HG2  ILE  18          2HG2      ILE  18  -5.205  -8.838   3.319
   45   3HG2  ILE  18          3HG2      ILE  18  -6.856  -8.995   2.720
   46   1HD1  ILE  18          1HD1      ILE  18  -3.503 -11.827   1.368
   47   2HD1  ILE  18          2HD1      ILE  18  -4.260 -12.552   2.787
   48   3HD1  ILE  18          3HD1      ILE  18  -4.429 -13.320   1.208
   49    H    ALA  19           H        ALA  19  -5.425  -7.152  -0.746
   50    HA   ALA  19           HA       ALA  19  -3.997  -8.271  -2.962
   51   1HB   ALA  19          1HB       ALA  19  -4.399  -6.250  -3.804
   52   2HB   ALA  19          2HB       ALA  19  -5.041  -5.724  -2.247
   53   3HB   ALA  19          3HB       ALA  19  -3.324  -5.532  -2.605
   54    H    THR  20           H        THR  20  -2.274  -9.443  -2.307
   55    HA   THR  20           HA       THR  20  -0.399  -8.278  -0.372
   56    HB   THR  20           HB       THR  20  -0.015 -11.045  -1.357
   57    HG1  THR  20           HG1      THR  20  -2.428 -10.221  -0.546
   58   1HG2  THR  20          1HG2      THR  20   0.475 -11.473   0.982
   59   2HG2  THR  20          2HG2      THR  20  -0.063  -9.849   1.413
   60   3HG2  THR  20          3HG2      THR  20   1.377 -10.068   0.419
   61    H    TYR  21           H        TYR  21   1.217  -7.155  -1.303
   62    HA   TYR  21           HA       TYR  21   2.346  -8.209  -3.796
   63   1HB   TYR  21          1HB       TYR  21   2.429  -5.448  -2.570
   64   2HB   TYR  21          2HB       TYR  21   3.401  -5.918  -3.963
   65    HD1  TYR  21           HD1      TYR  21   2.286  -6.537  -6.090
   66    HD2  TYR  21           HD2      TYR  21   0.109  -4.950  -2.799
   67    HE1  TYR  21           HE1      TYR  21   0.395  -6.040  -7.585
   68    HE2  TYR  21           HE2      TYR  21  -1.785  -4.446  -4.284
   69    HH   TYR  21           HH       TYR  21  -2.072  -5.737  -7.377
   70    H    THR  22           H        THR  22   3.351  -9.847  -2.495
   71    HA   THR  22           HA       THR  22   5.555  -9.034  -0.791
   72    HB   THR  22           HB       THR  22   5.018 -11.853  -1.671
   73    HG1  THR  22           HG1      THR  22   3.685 -10.529   0.480
   74   1HG2  THR  22          1HG2      THR  22   6.632 -12.266  -0.187
   75   2HG2  THR  22          2HG2      THR  22   5.569 -11.656   1.081
   76   3HG2  THR  22          3HG2      THR  22   6.693 -10.564   0.274
   77    H    GLY  23           H        GLY  23   5.923  -7.996  -3.237
   78   1HA   GLY  23          1HA       GLY  23   7.496  -9.803  -4.882
   79   2HA   GLY  23          2HA       GLY  23   7.087  -8.132  -5.254
   80    H    THR  24           H        THR  24   9.671  -9.533  -5.362
   81    HA   THR  24           HA       THR  24  11.197  -8.311  -3.243
   82    HB   THR  24           HB       THR  24  12.787  -9.208  -5.505
   83    HG1  THR  24           HG1      THR  24  11.427 -11.375  -4.388
   84   1HG2  THR  24          1HG2      THR  24  13.096 -10.981  -3.378
   85   2HG2  THR  24          2HG2      THR  24  12.702  -9.437  -2.626
   86   3HG2  THR  24          3HG2      THR  24  14.078  -9.559  -3.721
   87    H    ILE  25           H        ILE  25  12.310  -6.440  -3.362
   88    HA   ILE  25           HA       ILE  25  12.027  -4.930  -5.865
   89    HB   ILE  25           HB       ILE  25  10.468  -4.127  -4.156
   90   1HG1  ILE  25          1HG1      ILE  25  11.250  -1.734  -4.104
   91   2HG1  ILE  25          2HG1      ILE  25  12.764  -2.286  -4.812
   92   1HG2  ILE  25          1HG2      ILE  25  12.005  -4.841  -2.254
   93   2HG2  ILE  25          2HG2      ILE  25  12.774  -3.267  -2.464
   94   3HG2  ILE  25          3HG2      ILE  25  11.061  -3.364  -2.052
   95   1HD1  ILE  25          1HD1      ILE  25  11.636  -1.634  -6.680
   96   2HD1  ILE  25          2HD1      ILE  25  11.167  -3.332  -6.609
   97   3HD1  ILE  25          3HD1      ILE  25  10.063  -2.086  -6.026
   98    H    GLN  26           H        GLN  26  13.771  -3.881  -6.612
   99    HA   GLN  26           HA       GLN  26  16.322  -4.698  -5.634
  100   1HB   GLN  26          1HB       GLN  26  15.298  -3.127  -7.941
  101   2HB   GLN  26          2HB       GLN  26  16.971  -2.859  -7.476
  102   1HG   GLN  26          1HG       GLN  26  16.727  -4.546  -9.244
  103   2HG   GLN  26          2HG       GLN  26  17.482  -5.192  -7.789
  104   1HE2  GLN  26          1HE2      GLN  26  14.326  -4.877  -9.376
  105   2HE2  GLN  26          2HE2      GLN  26  13.720  -6.408  -8.837
  106    H    GLY  27           H        GLY  27  18.125  -3.000  -5.472
  107   1HA   GLY  27          1HA       GLY  27  17.777  -1.323  -3.287
  108   2HA   GLY  27          2HA       GLY  27  19.063  -1.155  -4.477
  109    H    LYS  28           H        LYS  28  17.361   0.839  -3.015
  110    HA   LYS  28           HA       LYS  28  16.190   2.750  -3.350
  111   1HB   LYS  28          1HB       LYS  28  17.777   2.433  -5.788
  112   2HB   LYS  28          2HB       LYS  28  16.287   3.323  -6.064
  113   1HG   LYS  28          1HG       LYS  28  17.235   5.145  -5.256
  114   2HG   LYS  28          2HG       LYS  28  17.443   4.342  -3.697
  115   1HD   LYS  28          1HD       LYS  28  19.610   4.944  -4.242
  116   2HD   LYS  28          2HD       LYS  28  19.530   3.274  -4.804
  117   1HE   LYS  28          1HE       LYS  28  20.338   4.113  -6.723
  118   2HE   LYS  28          2HE       LYS  28  18.671   4.614  -7.002
  119   1HZ   LYS  28          1HZ       LYS  28  19.532   6.644  -7.202
  120   2HZ   LYS  28          2HZ       LYS  28  20.997   6.214  -6.470
  121   3HZ   LYS  28          3HZ       LYS  28  19.666   6.640  -5.509
  122    H    GLY  29           H        GLY  29  14.642   0.845  -2.978
  123   1HA   GLY  29          1HA       GLY  29  13.105  -0.264  -5.027
  124   2HA   GLY  29          2HA       GLY  29  12.612  -0.136  -3.347
  125    H    GLU  30           H        GLU  30  10.947   0.123  -5.656
  126    HA   GLU  30           HA       GLU  30  10.574   3.005  -5.864
  127   1HB   GLU  30          1HB       GLU  30   9.786   0.801  -7.745
  128   2HB   GLU  30          2HB       GLU  30   9.517   2.523  -8.023
  129   1HG   GLU  30          1HG       GLU  30  11.795   2.981  -8.176
  130   2HG   GLU  30          2HG       GLU  30  12.242   1.461  -7.418
  131    H    VAL  31           H        VAL  31   8.326   3.813  -6.055
  132    HA   VAL  31           HA       VAL  31   7.383   2.740  -3.491
  133    HB   VAL  31           HB       VAL  31   7.640   5.620  -4.304
  134   1HG1  VAL  31          1HG1      VAL  31   7.649   4.210  -1.663
  135   2HG1  VAL  31          2HG1      VAL  31   8.237   5.864  -1.860
  136   3HG1  VAL  31          3HG1      VAL  31   6.556   5.479  -2.231
  137   1HG2  VAL  31          1HG2      VAL  31   9.793   5.074  -4.735
  138   2HG2  VAL  31          2HG2      VAL  31   9.918   5.284  -2.987
  139   3HG2  VAL  31          3HG2      VAL  31   9.756   3.657  -3.668
  140    H    CYS  32           H        CYS  32   5.569   1.775  -4.929
  141    HA   CYS  32           HA       CYS  32   3.368   3.645  -4.937
  142   1HB   CYS  32          1HB       CYS  32   2.983   2.779  -7.463
  143   2HB   CYS  32          2HB       CYS  32   3.759   4.300  -7.049
  144    H    ILE  33           H        ILE  33   1.818   2.468  -3.902
  145    HA   ILE  33           HA       ILE  33   0.879   0.185  -5.485
  146    HB   ILE  33           HB       ILE  33   0.828   0.213  -2.458
  147   1HG1  ILE  33          1HG1      ILE  33   3.011  -0.405  -3.663
  148   2HG1  ILE  33          2HG1      ILE  33   2.383  -1.559  -2.494
  149   1HG2  ILE  33          1HG2      ILE  33  -1.218  -0.726  -3.470
  150   2HG2  ILE  33          2HG2      ILE  33  -0.221  -1.853  -4.398
  151   3HG2  ILE  33          3HG2      ILE  33  -0.266  -1.957  -2.634
  152   1HD1  ILE  33          1HD1      ILE  33   1.411  -2.851  -4.364
  153   2HD1  ILE  33          2HD1      ILE  33   2.176  -1.730  -5.490
  154   3HD1  ILE  33          3HD1      ILE  33   3.169  -2.732  -4.432
  155    H    ILE  34           H        ILE  34  -0.787   1.164  -6.453
  156    HA   ILE  34           HA       ILE  34  -2.522   2.936  -4.911
  157    HB   ILE  34           HB       ILE  34  -3.072   2.397  -7.782
  158   1HG1  ILE  34          1HG1      ILE  34  -1.036   4.483  -7.312
  159   2HG1  ILE  34          2HG1      ILE  34  -0.460   2.831  -7.121
  160   1HG2  ILE  34          1HG2      ILE  34  -4.475   3.938  -6.579
  161   2HG2  ILE  34          2HG2      ILE  34  -3.072   4.858  -6.040
  162   3HG2  ILE  34          3HG2      ILE  34  -3.513   4.839  -7.749
  163   1HD1  ILE  34          1HD1      ILE  34  -2.046   3.466  -9.539
  164   2HD1  ILE  34          2HD1      ILE  34  -0.398   4.086  -9.439
  165   3HD1  ILE  34          3HD1      ILE  34  -0.696   2.350  -9.326
  166    H    GLY  35           H        GLY  35  -3.406   1.179  -3.641
  167   1HA   GLY  35          1HA       GLY  35  -5.177  -0.647  -5.106
  168   2HA   GLY  35          2HA       GLY  35  -4.681  -0.821  -3.430
  169    H    ASN  36           H        ASN  36  -5.396   2.337  -3.670
  170    HA   ASN  36           HA       ASN  36  -7.945   1.967  -2.378
  171   1HB   ASN  36          1HB       ASN  36  -6.181   3.733  -1.755
  172   2HB   ASN  36          2HB       ASN  36  -6.765   4.634  -3.152
  173   1HD2  ASN  36          1HD2      ASN  36  -6.872   5.308  -0.310
  174   2HD2  ASN  36          2HD2      ASN  36  -8.544   5.554   0.065
  175    H    LYS  37           H        LYS  37  -9.534   1.389  -3.684
  176    HA   LYS  37           HA       LYS  37 -10.191   3.203  -5.896
  177   1HB   LYS  37          1HB       LYS  37  -9.946   0.236  -5.917
  178   2HB   LYS  37          2HB       LYS  37 -11.279   0.939  -6.823
  179   1HG   LYS  37          1HG       LYS  37  -8.725   2.262  -7.304
  180   2HG   LYS  37          2HG       LYS  37  -8.740   0.558  -7.758
  181   1HD   LYS  37          1HD       LYS  37 -11.036   2.276  -8.567
  182   2HD   LYS  37          2HD       LYS  37  -9.511   2.426  -9.447
  183   1HE   LYS  37          1HE       LYS  37  -9.765   0.437 -10.456
  184   2HE   LYS  37          2HE       LYS  37 -10.368  -0.336  -8.991
  185   1HZ   LYS  37          1HZ       LYS  37 -12.536   0.676  -9.408
  186   2HZ   LYS  37          2HZ       LYS  37 -12.054  -0.300 -10.708
  187   3HZ   LYS  37          3HZ       LYS  37 -11.943   1.389 -10.830
  188    H    GLU  38           H        GLU  38 -11.680   0.371  -4.344
  189    HA   GLU  38           HA       GLU  38 -13.836   2.079  -3.344
  190   1HB   GLU  38          1HB       GLU  38 -14.069  -0.036  -5.362
  191   2HB   GLU  38          2HB       GLU  38 -15.161  -0.247  -4.001
  192   1HG   GLU  38          1HG       GLU  38 -15.035   1.977  -5.991
  193   2HG   GLU  38          2HG       GLU  38 -16.404   0.974  -5.522
  194    H    GLY  39           H        GLY  39 -14.885   1.257  -1.481
  195   1HA   GLY  39          1HA       GLY  39 -14.454  -1.231  -0.313
  196   2HA   GLY  39          2HA       GLY  39 -13.162  -0.182   0.251
  197    H    LYS  40           H        LYS  40 -14.193  -0.701   2.341
  198    HA   LYS  40           HA       LYS  40 -16.288   1.261   2.951
  199   1HB   LYS  40          1HB       LYS  40 -16.854  -0.697   4.753
  200   2HB   LYS  40          2HB       LYS  40 -17.705  -0.477   3.233
  201   1HG   LYS  40          1HG       LYS  40 -17.153  -2.540   2.674
  202   2HG   LYS  40          2HG       LYS  40 -15.459  -2.050   2.643
  203   1HD   LYS  40          1HD       LYS  40 -15.694  -2.395   5.261
  204   2HD   LYS  40          2HD       LYS  40 -16.989  -3.482   4.751
  205   1HE   LYS  40          1HE       LYS  40 -15.508  -4.828   3.513
  206   2HE   LYS  40          2HE       LYS  40 -14.232  -3.614   3.564
  207   1HZ   LYS  40          1HZ       LYS  40 -15.029  -5.562   5.584
  208   2HZ   LYS  40          2HZ       LYS  40 -14.527  -4.042   6.149
  209   3HZ   LYS  40          3HZ       LYS  40 -13.487  -4.973   5.185
  210    H    THR  41           H        THR  41 -16.106   2.239   4.965
  211    HA   THR  41           HA       THR  41 -13.451   2.199   6.081
  212    HB   THR  41           HB       THR  41 -15.315   3.744   7.642
  213    HG1  THR  41           HG1      THR  41 -16.570   4.536   6.140
  214   1HG2  THR  41          1HG2      THR  41 -13.590   5.164   7.597
  215   2HG2  THR  41          2HG2      THR  41 -13.605   5.234   5.836
  216   3HG2  THR  41          3HG2      THR  41 -12.724   3.947   6.660
  217    H    ARG  42           H        ARG  42 -14.199  -0.246   6.549
  218    HA   ARG  42           HA       ARG  42 -14.385  -0.418   9.414
  219   1HB   ARG  42          1HB       ARG  42 -16.792  -0.291   8.606
  220   2HB   ARG  42          2HB       ARG  42 -16.515  -1.834   7.809
  221   1HG   ARG  42          1HG       ARG  42 -16.792  -2.961   9.696
  222   2HG   ARG  42          2HG       ARG  42 -15.691  -1.901  10.579
  223   1HD   ARG  42          1HD       ARG  42 -17.370  -0.530  11.301
  224   2HD   ARG  42          2HD       ARG  42 -18.393  -0.868   9.904
  225    HE   ARG  42           HE       ARG  42 -19.095  -2.881  10.927
  226   1HH1  ARG  42          1HH1      ARG  42 -17.067  -0.899  12.998
  227   2HH1  ARG  42          2HH1      ARG  42 -17.462  -1.793  14.440
  228   1HH2  ARG  42          1HH2      ARG  42 -19.631  -4.023  12.795
  229   2HH2  ARG  42          2HH2      ARG  42 -18.949  -3.564  14.332
  230    H    GLY  43           H        GLY  43 -12.544  -1.573   9.557
  231   1HA   GLY  43          1HA       GLY  43 -11.350  -3.575   9.593
  232   2HA   GLY  43          2HA       GLY  43 -12.567  -4.295   8.546
  233    H    GLY  44           H        GLY  44 -11.057  -1.253   7.837
  234   1HA   GLY  44          1HA       GLY  44  -8.906  -2.051   6.263
  235   2HA   GLY  44          2HA       GLY  44 -10.320  -2.066   5.219
  236    H    GLU  45           H        GLU  45 -10.164   0.173   7.855
  237    HA   GLU  45           HA       GLU  45 -10.375   2.418   6.109
  238   1HB   GLU  45          1HB       GLU  45 -10.133   3.711   8.305
  239   2HB   GLU  45          2HB       GLU  45 -11.510   2.628   8.170
  240   1HG   GLU  45          1HG       GLU  45  -9.042   1.525   9.381
  241   2HG   GLU  45          2HG       GLU  45  -9.940   2.715  10.319
  242    H    LEU  46           H        LEU  46  -8.583   2.478   4.825
  243    HA   LEU  46           HA       LEU  46  -6.440   2.715   4.144
  244   1HB   LEU  46          1HB       LEU  46  -6.974   4.721   6.111
  245   2HB   LEU  46          2HB       LEU  46  -5.307   4.208   6.277
  246    HG   LEU  46           HG       LEU  46  -4.705   5.000   4.188
  247   1HD1  LEU  46          1HD1      LEU  46  -7.420   5.518   3.140
  248   2HD1  LEU  46          2HD1      LEU  46  -5.956   4.994   2.305
  249   3HD1  LEU  46          3HD1      LEU  46  -6.910   3.832   3.227
  250   1HD2  LEU  46          1HD2      LEU  46  -6.946   6.909   4.742
  251   2HD2  LEU  46          2HD2      LEU  46  -5.565   6.770   5.831
  252   3HD2  LEU  46          3HD2      LEU  46  -5.320   7.245   4.149
  253    H    TYR  47           H        TYR  47  -6.832   0.333   5.261
  254    HA   TYR  47           HA       TYR  47  -4.653  -0.083   7.173
  255   1HB   TYR  47          1HB       TYR  47  -6.821  -0.964   7.883
  256   2HB   TYR  47          2HB       TYR  47  -6.938  -1.913   6.404
  257    HD1  TYR  47           HD1      TYR  47  -6.084  -4.084   6.333
  258    HD2  TYR  47           HD2      TYR  47  -4.855  -1.483   9.460
  259    HE1  TYR  47           HE1      TYR  47  -4.924  -5.959   7.422
  260    HE2  TYR  47           HE2      TYR  47  -3.693  -3.348  10.562
  261    HH   TYR  47           HH       TYR  47  -3.219  -5.517  10.518
  262    H    ALA  48           H        ALA  48  -2.797  -0.591   6.314
  263    HA   ALA  48           HA       ALA  48  -2.630  -2.924   4.613
  264   1HB   ALA  48          1HB       ALA  48  -1.321  -0.356   3.718
  265   2HB   ALA  48          2HB       ALA  48  -1.271  -1.919   2.900
  266   3HB   ALA  48          3HB       ALA  48  -2.789  -1.027   3.008
  267    H    VAL  49           H        VAL  49  -0.821  -4.088   5.095
  268    HA   VAL  49           HA       VAL  49   1.040  -2.782   6.963
  269    HB   VAL  49           HB       VAL  49  -0.112  -4.499   8.147
  270   1HG1  VAL  49          1HG1      VAL  49  -0.725  -6.529   7.375
  271   2HG1  VAL  49          2HG1      VAL  49  -0.573  -5.716   5.818
  272   3HG1  VAL  49          3HG1      VAL  49   0.740  -6.732   6.413
  273   1HG2  VAL  49          1HG2      VAL  49   2.225  -6.167   7.707
  274   2HG2  VAL  49          2HG2      VAL  49   2.630  -4.459   7.875
  275   3HG2  VAL  49          3HG2      VAL  49   1.718  -5.279   9.143
  276    H    LEU  50           H        LEU  50   2.970  -2.407   6.199
  277    HA   LEU  50           HA       LEU  50   4.005  -3.896   3.921
  278   1HB   LEU  50          1HB       LEU  50   4.432  -1.513   3.959
  279   2HB   LEU  50          2HB       LEU  50   5.150  -1.625   5.555
  280    HG   LEU  50           HG       LEU  50   6.793  -3.296   4.278
  281   1HD1  LEU  50          1HD1      LEU  50   5.604  -1.543   2.168
  282   2HD1  LEU  50          2HD1      LEU  50   7.267  -2.115   2.042
  283   3HD1  LEU  50          3HD1      LEU  50   5.939  -3.273   2.123
  284   1HD2  LEU  50          1HD2      LEU  50   6.960  -0.777   5.340
  285   2HD2  LEU  50          2HD2      LEU  50   8.315  -1.721   4.720
  286   3HD2  LEU  50          3HD2      LEU  50   7.519  -0.533   3.687
  287    H    HIS  51           H        HIS  51   4.756  -5.850   4.370
  288    HA   HIS  51           HA       HIS  51   6.003  -6.350   6.970
  289   1HB   HIS  51          1HB       HIS  51   4.610  -7.980   4.938
  290   2HB   HIS  51          2HB       HIS  51   5.915  -8.780   5.807
  291    HD1  HIS  51           HD1      HIS  51   5.648  -8.237   8.601
  292    HD2  HIS  51           HD2      HIS  51   2.269  -8.364   6.181
  293    HE1  HIS  51           HE1      HIS  51   3.709  -8.638  10.157
  294    HE2  HIS  51           HE2      HIS  51   1.660  -8.480   8.699
  295    H    SER  52           H        SER  52   8.076  -6.973   7.229
  296    HA   SER  52           HA       SER  52   9.789  -6.932   4.846
  297   1HB   SER  52          1HB       SER  52  11.391  -7.031   7.145
  298   2HB   SER  52          2HB       SER  52  11.054  -5.611   6.153
  299    HG   SER  52           HG       SER  52   9.885  -6.433   8.570
  300    H    THR  53           H        THR  53   9.433  -9.056   4.134
  301    HA   THR  53           HA       THR  53   9.898 -11.293   5.907
  302    HB   THR  53           HB       THR  53   9.849 -11.963   3.085
  303    HG1  THR  53           HG1      THR  53   7.387 -10.905   3.800
  304   1HG2  THR  53          1HG2      THR  53   7.473 -12.651   4.556
  305   2HG2  THR  53          2HG2      THR  53   8.911 -12.969   5.526
  306   3HG2  THR  53          3HG2      THR  53   8.745 -13.701   3.931
  307    H    ASN  54           H        ASN  54  12.139  -9.564   5.674
  308    HA   ASN  54           HA       ASN  54  14.112 -11.392   4.585
  309   1HB   ASN  54          1HB       ASN  54  15.216  -9.783   3.196
  310   2HB   ASN  54          2HB       ASN  54  13.519  -9.788   2.738
  311   1HD2  ASN  54          1HD2      ASN  54  12.288  -7.981   3.066
  312   2HD2  ASN  54          2HD2      ASN  54  12.954  -6.465   3.578
  313    H    VAL  55           H        VAL  55  16.399 -10.181   4.961
  314    HA   VAL  55           HA       VAL  55  16.500  -9.963   7.840
  315    HB   VAL  55           HB       VAL  55  18.905  -9.667   6.071
  316   1HG1  VAL  55          1HG1      VAL  55  19.818  -9.616   8.104
  317   2HG1  VAL  55          2HG1      VAL  55  18.346 -10.204   8.877
  318   3HG1  VAL  55          3HG1      VAL  55  19.486 -11.348   8.167
  319   1HG2  VAL  55          1HG2      VAL  55  17.946 -11.545   5.060
  320   2HG2  VAL  55          2HG2      VAL  55  19.062 -12.217   6.250
  321   3HG2  VAL  55          3HG2      VAL  55  17.332 -12.171   6.591
  322    H    ASN  56           H        ASN  56  17.573  -7.930   5.107
  323    HA   ASN  56           HA       ASN  56  18.305  -5.795   6.931
  324   1HB   ASN  56          1HB       ASN  56  18.925  -4.608   4.754
  325   2HB   ASN  56          2HB       ASN  56  19.842  -6.056   5.151
  326   1HD2  ASN  56          1HD2      ASN  56  18.567  -4.477   2.667
  327   2HD2  ASN  56          2HD2      ASN  56  18.185  -5.790   1.605
  328    H    ALA  57           H        ALA  57  16.131  -5.478   7.742
  329    HA   ALA  57           HA       ALA  57  14.150  -4.489   5.867
  330   1HB   ALA  57          1HB       ALA  57  13.856  -4.672   8.849
  331   2HB   ALA  57          2HB       ALA  57  12.586  -4.605   7.623
  332   3HB   ALA  57          3HB       ALA  57  13.600  -6.043   7.767
  333    H    ASP  58           H        ASP  58  14.790  -2.543   5.175
  334    HA   ASP  58           HA       ASP  58  14.270  -0.386   7.056
  335   1HB   ASP  58          1HB       ASP  58  16.862  -0.807   6.589
  336   2HB   ASP  58          2HB       ASP  58  16.496   0.100   5.124
  337    H    MET  59           H        MET  59  12.409  -1.201   5.543
  338    HA   MET  59           HA       MET  59  12.468   0.303   3.014
  339   1HB   MET  59          1HB       MET  59  10.591  -1.894   3.941
  340   2HB   MET  59          2HB       MET  59  10.536  -1.104   2.378
  341   1HG   MET  59          1HG       MET  59  11.805  -2.769   1.641
  342   2HG   MET  59          2HG       MET  59  13.128  -1.998   2.523
  343   1HE   MET  59          1HE       MET  59  10.258  -4.887   4.434
  344   2HE   MET  59          2HE       MET  59  10.017  -3.900   2.990
  345   3HE   MET  59          3HE       MET  59  10.739  -5.503   2.851
  346    H    THR  60           H        THR  60  11.209   2.073   2.860
  347    HA   THR  60           HA       THR  60   9.805   2.826   5.303
  348    HB   THR  60           HB       THR  60   9.839   5.129   4.050
  349    HG1  THR  60           HG1      THR  60  10.787   3.772   2.145
  350   1HG2  THR  60          1HG2      THR  60  12.068   5.562   4.976
  351   2HG2  THR  60          2HG2      THR  60  12.355   3.824   5.104
  352   3HG2  THR  60          3HG2      THR  60  11.101   4.585   6.086
  353    H    LEU  61           H        LEU  61   7.688   2.601   5.401
  354    HA   LEU  61           HA       LEU  61   6.122   2.685   2.910
  355   1HB   LEU  61          1HB       LEU  61   5.591   0.711   4.069
  356   2HB   LEU  61          2HB       LEU  61   5.622   1.508   5.629
  357    HG   LEU  61           HG       LEU  61   3.550   2.818   4.584
  358   1HD1  LEU  61          1HD1      LEU  61   2.183   1.022   3.364
  359   2HD1  LEU  61          2HD1      LEU  61   3.417   1.888   2.449
  360   3HD1  LEU  61          3HD1      LEU  61   3.739   0.258   3.038
  361   1HD2  LEU  61          1HD2      LEU  61   2.324   0.498   5.431
  362   2HD2  LEU  61          2HD2      LEU  61   3.889   0.462   6.244
  363   3HD2  LEU  61          3HD2      LEU  61   2.819   1.850   6.449
  364    H    ILE  62           H        ILE  62   5.132   4.560   2.465
  365    HA   ILE  62           HA       ILE  62   4.456   6.274   4.748
  366    HB   ILE  62           HB       ILE  62   6.533   7.069   3.795
  367   1HG1  ILE  62          1HG1      ILE  62   4.553   9.074   2.831
  368   2HG1  ILE  62          2HG1      ILE  62   4.562   8.629   4.530
  369   1HG2  ILE  62          1HG2      ILE  62   6.572   6.331   1.594
  370   2HG2  ILE  62          2HG2      ILE  62   5.029   7.095   1.214
  371   3HG2  ILE  62          3HG2      ILE  62   6.465   8.087   1.469
  372   1HD1  ILE  62          1HD1      ILE  62   7.227   9.175   3.634
  373   2HD1  ILE  62          2HD1      ILE  62   6.161  10.523   3.245
  374   3HD1  ILE  62          3HD1      ILE  62   6.292   9.953   4.909
  375    H    LEU  63           H        LEU  63   2.480   7.019   4.779
  376    HA   LEU  63           HA       LEU  63   0.606   6.216   2.734
  377   1HB   LEU  63          1HB       LEU  63   0.445   6.369   5.396
  378   2HB   LEU  63          2HB       LEU  63  -0.193   7.956   5.015
  379    HG   LEU  63           HG       LEU  63  -1.398   5.285   4.699
  380   1HD1  LEU  63          1HD1      LEU  63  -2.021   7.155   6.323
  381   2HD1  LEU  63          2HD1      LEU  63  -2.780   7.931   4.933
  382   3HD1  LEU  63          3HD1      LEU  63  -3.328   6.339   5.463
  383   1HD2  LEU  63          1HD2      LEU  63  -1.671   5.501   2.477
  384   2HD2  LEU  63          2HD2      LEU  63  -2.968   6.597   2.953
  385   3HD2  LEU  63          3HD2      LEU  63  -1.388   7.239   2.502
  386    H    LEU  64           H        LEU  64  -0.123   7.439   1.127
  387    HA   LEU  64           HA       LEU  64   0.362  10.344   1.210
  388   1HB   LEU  64          1HB       LEU  64   1.357   8.293  -0.647
  389   2HB   LEU  64          2HB       LEU  64   0.710   9.731  -1.407
  390    HG   LEU  64           HG       LEU  64   2.279  11.063   0.058
  391   1HD1  LEU  64          1HD1      LEU  64   3.099   8.281   0.722
  392   2HD1  LEU  64          2HD1      LEU  64   4.331   9.542   0.622
  393   3HD1  LEU  64          3HD1      LEU  64   2.986   9.708   1.756
  394   1HD2  LEU  64          1HD2      LEU  64   2.553   9.997  -2.401
  395   2HD2  LEU  64          2HD2      LEU  64   3.725  11.082  -1.651
  396   3HD2  LEU  64          3HD2      LEU  64   3.976   9.337  -1.595
  397    H    ARG  65           H        ARG  65  -1.013  11.621  -0.104
  398    HA   ARG  65           HA       ARG  65  -2.821  10.198  -1.890
  399   1HB   ARG  65          1HB       ARG  65  -4.695  11.756  -1.279
  400   2HB   ARG  65          2HB       ARG  65  -4.283  10.591  -0.032
  401   1HG   ARG  65          1HG       ARG  65  -3.977  12.220   1.431
  402   2HG   ARG  65          2HG       ARG  65  -2.776  12.983   0.387
  403   1HD   ARG  65          1HD       ARG  65  -4.687  13.985  -0.900
  404   2HD   ARG  65          2HD       ARG  65  -5.759  13.386   0.360
  405    HE   ARG  65           HE       ARG  65  -5.031  15.052   1.762
  406   1HH1  ARG  65          1HH1      ARG  65  -2.889  14.870  -1.020
  407   2HH1  ARG  65          2HH1      ARG  65  -2.131  16.402  -0.700
  408   1HH2  ARG  65          1HH2      ARG  65  -4.052  17.078   2.172
  409   2HH2  ARG  65          2HH2      ARG  65  -2.792  17.658   1.116
  410    H    ASN  66           H        ASN  66  -1.971  10.856  -3.723
  411    HA   ASN  66           HA       ASN  66  -1.892  13.728  -4.282
  412   1HB   ASN  66          1HB       ASN  66   0.372  13.584  -4.143
  413   2HB   ASN  66          2HB       ASN  66   0.371  11.836  -4.313
  414   1HD2  ASN  66          1HD2      ASN  66   0.430  10.936  -6.381
  415   2HD2  ASN  66          2HD2      ASN  66   1.007  11.834  -7.735
  416    H    VAL  67           H        VAL  67  -2.137  14.212  -6.571
  417    HA   VAL  67           HA       VAL  67  -2.580  12.103  -8.443
  418    HB   VAL  67           HB       VAL  67  -4.637  11.981  -7.030
  419   1HG1  VAL  67          1HG1      VAL  67  -6.352  13.694  -7.279
  420   2HG1  VAL  67          2HG1      VAL  67  -4.887  14.361  -6.558
  421   3HG1  VAL  67          3HG1      VAL  67  -5.254  14.666  -8.256
  422   1HG2  VAL  67          1HG2      VAL  67  -4.570  11.179  -9.369
  423   2HG2  VAL  67          2HG2      VAL  67  -6.171  11.727  -8.875
  424   3HG2  VAL  67          3HG2      VAL  67  -5.166  12.752  -9.899
  425    H    GLY  68           H        GLY  68  -2.129  15.334  -7.621
  426   1HA   GLY  68          1HA       GLY  68  -2.760  16.320 -10.302
  427   2HA   GLY  68          2HA       GLY  68  -2.300  17.300  -8.920
  428    H    GLY  69           H        GLY  69  -0.936  14.710 -10.951
  429   1HA   GLY  69          1HA       GLY  69   1.074  15.789 -12.248
  430   2HA   GLY  69          2HA       GLY  69   1.720  15.899 -10.616
  431    H    ASN  70           H        ASN  70   2.979  14.442 -12.669
  432    HA   ASN  70           HA       ASN  70   2.317  11.644 -12.205
  433   1HB   ASN  70          1HB       ASN  70   3.001  12.516 -14.477
  434   2HB   ASN  70          2HB       ASN  70   4.626  12.719 -13.829
  435   1HD2  ASN  70          1HD2      ASN  70   5.683  11.205 -14.982
  436   2HD2  ASN  70          2HD2      ASN  70   5.349   9.506 -14.910
  437    H    GLY  71           H        GLY  71   2.768  11.784  -9.944
  438   1HA   GLY  71          1HA       GLY  71   5.239  10.621  -9.268
  439   2HA   GLY  71          2HA       GLY  71   5.256  12.322  -8.800
  440    H    TRP  72           H        TRP  72   5.302  11.793  -6.577
  441    HA   TRP  72           HA       TRP  72   2.613  11.449  -5.514
  442   1HB   TRP  72          1HB       TRP  72   4.955   9.708  -4.691
  443   2HB   TRP  72          2HB       TRP  72   3.505   9.892  -3.716
  444    HD1  TRP  72           HD1      TRP  72   4.952   7.600  -6.115
  445    HE1  TRP  72           HE1      TRP  72   3.174   6.163  -7.270
  446    HE3  TRP  72           HE3      TRP  72   0.703  10.162  -4.719
  447    HZ2  TRP  72           HZ2      TRP  72   0.378   6.052  -7.522
  448    HZ3  TRP  72           HZ3      TRP  72  -1.476   9.281  -5.443
  449    HH2  TRP  72           HH2      TRP  72  -1.633   7.272  -6.817
  450    H    GLY  73           H        GLY  73   2.342  12.472  -3.468
  451   1HA   GLY  73          1HA       GLY  73   4.624  14.156  -2.614
  452   2HA   GLY  73          2HA       GLY  73   2.950  14.696  -2.569
  453    H    GLU  74           H        GLU  74   5.390  13.682  -0.658
  454    HA   GLU  74           HA       GLU  74   4.260  11.480   0.726
  455   1HB   GLU  74          1HB       GLU  74   6.656  13.216   1.213
  456   2HB   GLU  74          2HB       GLU  74   6.183  11.962   2.353
  457   1HG   GLU  74          1HG       GLU  74   7.644  10.786   1.086
  458   2HG   GLU  74          2HG       GLU  74   6.160  10.477   0.183
  459    H    ILE  75           H        ILE  75   3.412  11.271   2.754
  460    HA   ILE  75           HA       ILE  75   2.885  13.728   4.275
  461    HB   ILE  75           HB       ILE  75   0.863  11.504   4.080
  462   1HG1  ILE  75          1HG1      ILE  75   0.791  14.136   2.589
  463   2HG1  ILE  75          2HG1      ILE  75   1.216  12.593   1.853
  464   1HG2  ILE  75          1HG2      ILE  75   0.761  12.923   6.075
  465   2HG2  ILE  75          2HG2      ILE  75   0.633  14.353   5.052
  466   3HG2  ILE  75          3HG2      ILE  75  -0.653  13.146   5.047
  467   1HD1  ILE  75          1HD1      ILE  75  -1.429  13.367   3.055
  468   2HD1  ILE  75          2HD1      ILE  75  -1.064  13.084   1.352
  469   3HD1  ILE  75          3HD1      ILE  75  -1.024  11.743   2.496
  470    H    LYS  76           H        LYS  76   1.843  10.385   4.976
  471    HA   LYS  76           HA       LYS  76   3.159  10.710   7.587
  472   1HB   LYS  76          1HB       LYS  76   0.627  10.248   7.273
  473   2HB   LYS  76          2HB       LYS  76   1.128   8.595   6.948
  474   1HG   LYS  76          1HG       LYS  76   2.207   9.839   9.400
  475   2HG   LYS  76          2HG       LYS  76   0.481   9.477   9.381
  476   1HD   LYS  76          1HD       LYS  76   1.049   7.149   8.686
  477   2HD   LYS  76          2HD       LYS  76   2.751   7.546   8.916
  478   1HE   LYS  76          1HE       LYS  76   1.037   8.229  11.184
  479   2HE   LYS  76          2HE       LYS  76   1.098   6.507  10.824
  480   1HZ   LYS  76          1HZ       LYS  76   3.539   8.167  11.122
  481   2HZ   LYS  76          2HZ       LYS  76   3.420   6.475  11.119
  482   3HZ   LYS  76          3HZ       LYS  76   2.808   7.365  12.427
  483    H    ARG  77           H        ARG  77   5.095   9.762   7.745
  484    HA   ARG  77           HA       ARG  77   5.729   7.421   6.145
  485   1HB   ARG  77          1HB       ARG  77   7.382   9.206   6.327
  486   2HB   ARG  77          2HB       ARG  77   7.397   9.041   8.076
  487   1HG   ARG  77          1HG       ARG  77   7.968   6.512   6.861
  488   2HG   ARG  77          2HG       ARG  77   9.044   7.756   6.215
  489   1HD   ARG  77          1HD       ARG  77   8.551   7.496   9.160
  490   2HD   ARG  77          2HD       ARG  77   9.757   6.500   8.346
  491    HE   ARG  77           HE       ARG  77   9.813   9.441   8.517
  492   1HH1  ARG  77          1HH1      ARG  77  11.434   6.358   8.130
  493   2HH1  ARG  77          2HH1      ARG  77  13.024   7.066   8.049
  494   1HH2  ARG  77          1HH2      ARG  77  11.882  10.369   8.464
  495   2HH2  ARG  77          2HH2      ARG  77  13.286   9.349   8.286
  496    H    ASN  78           H        ASN  78   6.070   5.369   6.903
  497    HA   ASN  78           HA       ASN  78   5.850   4.951   9.800
  498   1HB   ASN  78          1HB       ASN  78   3.910   4.174   7.896
  499   2HB   ASN  78          2HB       ASN  78   4.723   2.702   8.426
  500   1HD2  ASN  78          1HD2      ASN  78   3.346   1.801   9.786
  501   2HD2  ASN  78          2HD2      ASN  78   2.665   2.561  11.187
  502    H    ASP  79           H        ASP  79   6.517   2.790  10.463
  503    HA   ASP  79           HA       ASP  79   9.197   2.340   9.515
  504   1HB   ASP  79          1HB       ASP  79   8.293   2.480  11.941
  505   2HB   ASP  79          2HB       ASP  79   7.784   0.819  11.690
  506    H    ILE  80           H        ILE  80   9.745  -0.271   9.922
  507    HA   ILE  80           HA       ILE  80   8.376  -1.525   7.658
  508    HB   ILE  80           HB       ILE  80  10.411  -3.229   8.695
  509   1HG1  ILE  80          1HG1      ILE  80  12.193  -1.301   7.912
  510   2HG1  ILE  80          2HG1      ILE  80  11.034  -0.365   8.852
  511   1HG2  ILE  80          1HG2      ILE  80  10.618  -1.556   6.216
  512   2HG2  ILE  80          2HG2      ILE  80  11.194  -3.201   6.498
  513   3HG2  ILE  80          3HG2      ILE  80   9.465  -2.888   6.343
  514   1HD1  ILE  80          1HD1      ILE  80  12.362  -2.860   9.878
  515   2HD1  ILE  80          2HD1      ILE  80  13.003  -1.235  10.126
  516   3HD1  ILE  80          3HD1      ILE  80  11.430  -1.673  10.792
  517    H    ASP  81           H        ASP  81   7.479  -3.557   7.735
  518    HA   ASP  81           HA       ASP  81   6.148  -5.180   8.556
  519   1HB   ASP  81          1HB       ASP  81   8.538  -5.530   9.849
  520   2HB   ASP  81          2HB       ASP  81   7.417  -5.398  11.201
  521    H    LYS  82           H        LYS  82   5.086  -2.790   8.727
  522    HA   LYS  82           HA       LYS  82   3.710  -2.771  11.327
  523   1HB   LYS  82          1HB       LYS  82   5.256  -0.599  10.071
  524   2HB   LYS  82          2HB       LYS  82   3.662  -0.129  10.644
  525   1HG   LYS  82          1HG       LYS  82   4.765   0.242  12.563
  526   2HG   LYS  82          2HG       LYS  82   4.539  -1.494  12.785
  527   1HD   LYS  82          1HD       LYS  82   6.781  -1.630  11.423
  528   2HD   LYS  82          2HD       LYS  82   6.982   0.025  11.997
  529   1HE   LYS  82          1HE       LYS  82   6.717  -0.752  14.303
  530   2HE   LYS  82          2HE       LYS  82   6.531  -2.407  13.721
  531   1HZ   LYS  82          1HZ       LYS  82   8.727  -2.626  13.404
  532   2HZ   LYS  82          2HZ       LYS  82   8.866  -1.304  14.457
  533   3HZ   LYS  82          3HZ       LYS  82   8.915  -1.060  12.777
  534    HA   PRO  83           HA       PRO  83   0.166  -2.403   8.634
  535   1HB   PRO  83          1HB       PRO  83  -1.570  -2.556  10.858
  536   2HB   PRO  83          2HB       PRO  83  -1.075  -3.883   9.809
  537   1HG   PRO  83          1HG       PRO  83  -0.417  -3.591  12.511
  538   2HG   PRO  83          2HG       PRO  83   0.353  -4.698  11.365
  539   1HD   PRO  83          1HD       PRO  83   1.270  -2.040  12.342
  540   2HD   PRO  83          2HD       PRO  83   2.223  -3.470  11.891
  541    H    LEU  84           H        LEU  84  -0.445  -0.483   7.868
  542    HA   LEU  84           HA       LEU  84  -0.646   1.851   9.556
  543   1HB   LEU  84          1HB       LEU  84  -0.035   1.521   6.949
  544   2HB   LEU  84          2HB       LEU  84  -1.743   1.885   6.801
  545    HG   LEU  84           HG       LEU  84  -0.127   3.836   6.582
  546   1HD1  LEU  84          1HD1      LEU  84  -1.578   5.331   7.999
  547   2HD1  LEU  84          2HD1      LEU  84  -2.432   4.305   6.844
  548   3HD1  LEU  84          3HD1      LEU  84  -2.399   3.870   8.554
  549   1HD2  LEU  84          1HD2      LEU  84   1.448   3.738   8.220
  550   2HD2  LEU  84          2HD2      LEU  84   0.273   4.772   9.033
  551   3HD2  LEU  84          3HD2      LEU  84   0.338   3.050   9.404
  552    H    LYS  85           H        LYS  85  -2.436   2.622  10.487
  553    HA   LYS  85           HA       LYS  85  -5.047   1.851   9.418
  554   1HB   LYS  85          1HB       LYS  85  -4.135   0.686  11.691
  555   2HB   LYS  85          2HB       LYS  85  -4.895   2.126  12.359
  556   1HG   LYS  85          1HG       LYS  85  -6.889   1.394  10.813
  557   2HG   LYS  85          2HG       LYS  85  -6.118  -0.186  10.949
  558   1HD   LYS  85          1HD       LYS  85  -6.857  -0.460  13.032
  559   2HD   LYS  85          2HD       LYS  85  -6.288   1.139  13.513
  560   1HE   LYS  85          1HE       LYS  85  -8.384   1.937  12.147
  561   2HE   LYS  85          2HE       LYS  85  -8.954   0.301  12.478
  562   1HZ   LYS  85          1HZ       LYS  85  -9.166   0.722  14.677
  563   2HZ   LYS  85          2HZ       LYS  85  -9.376   2.315  14.128
  564   3HZ   LYS  85          3HZ       LYS  85  -7.871   1.812  14.727
  565    H    TYR  86           H        TYR  86  -6.327   3.566   9.114
  566    HA   TYR  86           HA       TYR  86  -5.745   6.014  10.651
  567   1HB   TYR  86          1HB       TYR  86  -5.603   5.630   7.819
  568   2HB   TYR  86          2HB       TYR  86  -6.928   6.733   8.170
  569    HD1  TYR  86           HD1      TYR  86  -6.340   8.945   7.954
  570    HD2  TYR  86           HD2      TYR  86  -3.470   6.219   9.513
  571    HE1  TYR  86           HE1      TYR  86  -4.739  10.794   8.230
  572    HE2  TYR  86           HE2      TYR  86  -1.865   8.058   9.793
  573    HH   TYR  86           HH       TYR  86  -1.422  10.254   8.962
  574    H    GLU  87           H        GLU  87  -7.404   6.711  11.798
  575    HA   GLU  87           HA       GLU  87  -9.923   5.356  11.661
  576   1HB   GLU  87          1HB       GLU  87  -8.514   6.710  13.616
  577   2HB   GLU  87          2HB       GLU  87  -9.852   7.794  13.272
  578   1HG   GLU  87          1HG       GLU  87 -10.621   6.458  15.009
  579   2HG   GLU  87          2HG       GLU  87 -11.354   5.754  13.568
  580    H    ASP  88           H        ASP  88  -8.690   8.483  10.683
  581    HA   ASP  88           HA       ASP  88 -10.989   8.949   9.007
  582   1HB   ASP  88          1HB       ASP  88 -12.122  10.067  10.623
  583   2HB   ASP  88          2HB       ASP  88 -10.690  10.261  11.625
  584    H    TYR  89           H        TYR  89 -10.602  10.616   7.436
  585    HA   TYR  89           HA       TYR  89  -7.727  11.047   7.047
  586   1HB   TYR  89          1HB       TYR  89  -9.649  11.717   4.888
  587   2HB   TYR  89          2HB       TYR  89  -8.059  10.975   4.790
  588    HD1  TYR  89           HD1      TYR  89  -7.825   8.526   5.299
  589    HD2  TYR  89           HD2      TYR  89 -11.615  10.416   4.915
  590    HE1  TYR  89           HE1      TYR  89  -8.877   6.333   4.942
  591    HE2  TYR  89           HE2      TYR  89 -12.679   8.229   4.562
  592    HH   TYR  89           HH       TYR  89 -12.380   6.041   4.431
  593    H    TYR  90           H        TYR  90 -10.113  12.711   8.411
  594    HA   TYR  90           HA       TYR  90 -10.235  14.841   9.149
  595   1HB   TYR  90          1HB       TYR  90  -7.832  15.433   7.414
  596   2HB   TYR  90          2HB       TYR  90  -8.481  16.467   8.680
  597    HD1  TYR  90           HD1      TYR  90  -8.570  15.430  11.068
  598    HD2  TYR  90           HD2      TYR  90  -6.125  13.939   7.920
  599    HE1  TYR  90           HE1      TYR  90  -7.127  14.321  12.721
  600    HE2  TYR  90           HE2      TYR  90  -4.676  12.825   9.562
  601    HH   TYR  90           HH       TYR  90  -5.547  12.438  12.829
  602    H    THR  91           H        THR  91  -9.255  15.042   5.711
  603    HA   THR  91           HA       THR  91 -11.651  16.708   5.263
  604    HB   THR  91           HB       THR  91  -9.356  17.169   3.464
  605    HG1  THR  91           HG1      THR  91  -9.046  17.239   6.159
  606   1HG2  THR  91          1HG2      THR  91 -10.446  19.478   4.794
  607   2HG2  THR  91          2HG2      THR  91 -11.747  18.450   4.188
  608   3HG2  THR  91          3HG2      THR  91 -10.503  19.044   3.086
  609    H    SER  92           H        SER  92 -12.849  14.963   4.491
  610    HA   SER  92           HA       SER  92 -13.733  13.572   2.941
  611   1HB   SER  92          1HB       SER  92 -12.043  15.206   1.031
  612   2HB   SER  92          2HB       SER  92 -13.411  14.186   0.583
  613    HG   SER  92           HG       SER  92 -14.638  15.560   2.127
  614    H    GLY  93           H        GLY  93 -12.621  12.545   0.519
  615   1HA   GLY  93          1HA       GLY  93 -10.214  11.117   1.420
  616   2HA   GLY  93          2HA       GLY  93 -11.626  10.193   0.928
  617    H    LEU  94           H        LEU  94  -9.042  12.273  -0.135
  618    HA   LEU  94           HA       LEU  94  -9.675  12.140  -2.925
  619   1HB   LEU  94          1HB       LEU  94  -8.206  13.867  -1.694
  620   2HB   LEU  94          2HB       LEU  94  -6.943  12.654  -1.764
  621    HG   LEU  94           HG       LEU  94  -7.303  12.655  -4.298
  622   1HD1  LEU  94          1HD1      LEU  94  -9.447  14.240  -3.683
  623   2HD1  LEU  94          2HD1      LEU  94  -8.241  15.414  -4.209
  624   3HD1  LEU  94          3HD1      LEU  94  -8.705  14.086  -5.275
  625   1HD2  LEU  94          1HD2      LEU  94  -6.037  14.782  -2.647
  626   2HD2  LEU  94          2HD2      LEU  94  -5.300  13.581  -3.707
  627   3HD2  LEU  94          3HD2      LEU  94  -6.089  14.997  -4.396
  628    H    SER  95           H        SER  95  -7.554  11.257  -4.302
  629    HA   SER  95           HA       SER  95  -7.598   8.440  -3.957
  630   1HB   SER  95          1HB       SER  95  -5.490   9.753  -5.619
  631   2HB   SER  95          2HB       SER  95  -6.488   8.344  -5.983
  632    HG   SER  95           HG       SER  95  -7.567   9.731  -7.150
  633    H    TRP  96           H        TRP  96  -6.450   7.299  -2.558
  634    HA   TRP  96           HA       TRP  96  -4.020   8.469  -1.402
  635   1HB   TRP  96          1HB       TRP  96  -5.842   6.276  -0.381
  636   2HB   TRP  96          2HB       TRP  96  -4.313   6.696   0.372
  637    HD1  TRP  96           HD1      TRP  96  -7.875   7.996  -0.098
  638    HE1  TRP  96           HE1      TRP  96  -8.318   9.848   1.630
  639    HE3  TRP  96           HE3      TRP  96  -3.156   8.482   1.804
  640    HZ2  TRP  96           HZ2      TRP  96  -6.867  11.317   3.551
  641    HZ3  TRP  96           HZ3      TRP  96  -2.772  10.131   3.592
  642    HH2  TRP  96           HH2      TRP  96  -4.590  11.519   4.445
  643    H    ILE  97           H        ILE  97  -2.241   6.978  -0.943
  644    HA   ILE  97           HA       ILE  97  -2.145   4.583  -2.599
  645    HB   ILE  97           HB       ILE  97  -1.397   6.536  -4.005
  646   1HG1  ILE  97          1HG1      ILE  97  -0.345   3.943  -3.757
  647   2HG1  ILE  97          2HG1      ILE  97  -0.271   4.988  -5.171
  648   1HG2  ILE  97          1HG2      ILE  97   1.086   6.518  -2.319
  649   2HG2  ILE  97          2HG2      ILE  97   0.627   7.654  -3.587
  650   3HG2  ILE  97          3HG2      ILE  97  -0.237   7.653  -2.049
  651   1HD1  ILE  97          1HD1      ILE  97   1.933   4.391  -4.845
  652   2HD1  ILE  97          2HD1      ILE  97   1.842   5.956  -4.038
  653   3HD1  ILE  97          3HD1      ILE  97   1.802   4.471  -3.086
  654    H    TRP  98           H        TRP  98  -0.603   3.097  -1.954
  655    HA   TRP  98           HA       TRP  98   0.710   3.650   0.594
  656   1HB   TRP  98          1HB       TRP  98   0.388   1.049  -0.927
  657   2HB   TRP  98          2HB       TRP  98   1.110   1.220   0.672
  658    HD1  TRP  98           HD1      TRP  98  -2.051   0.291  -0.855
  659    HE1  TRP  98           HE1      TRP  98  -4.009   0.490   0.816
  660    HE3  TRP  98           HE3      TRP  98   0.251   3.083   2.777
  661    HZ2  TRP  98           HZ2      TRP  98  -4.505   1.679   3.322
  662    HZ3  TRP  98           HZ3      TRP  98  -1.043   3.695   4.770
  663    HH2  TRP  98           HH2      TRP  98  -3.366   3.007   5.033
  664    H    LYS  99           H        LYS  99   2.399   4.904   0.007
  665    HA   LYS  99           HA       LYS  99   4.072   4.347  -2.258
  666   1HB   LYS  99          1HB       LYS  99   3.578   6.499  -0.492
  667   2HB   LYS  99          2HB       LYS  99   5.275   6.094  -0.305
  668   1HG   LYS  99          1HG       LYS  99   5.228   6.164  -2.940
  669   2HG   LYS  99          2HG       LYS  99   3.834   7.209  -2.645
  670   1HD   LYS  99          1HD       LYS  99   5.094   8.865  -1.730
  671   2HD   LYS  99          2HD       LYS  99   6.245   7.738  -1.015
  672   1HE   LYS  99          1HE       LYS  99   7.041   7.322  -3.410
  673   2HE   LYS  99          2HE       LYS  99   6.130   8.773  -3.832
  674   1HZ   LYS  99          1HZ       LYS  99   8.256   8.681  -1.756
  675   2HZ   LYS  99          2HZ       LYS  99   7.454  10.060  -2.328
  676   3HZ   LYS  99          3HZ       LYS  99   8.501   9.202  -3.349
  677    H    ILE 100           H        ILE 100   5.926   3.120  -2.315
  678    HA   ILE 100           HA       ILE 100   7.099   2.356   0.314
  679    HB   ILE 100           HB       ILE 100   6.941   0.329  -1.870
  680   1HG1  ILE 100          1HG1      ILE 100   5.136   0.083   0.471
  681   2HG1  ILE 100          2HG1      ILE 100   4.663   1.241  -0.772
  682   1HG2  ILE 100          1HG2      ILE 100   7.574   0.313   1.062
  683   2HG2  ILE 100          2HG2      ILE 100   7.257  -1.158   0.146
  684   3HG2  ILE 100          3HG2      ILE 100   8.619  -0.123  -0.290
  685   1HD1  ILE 100          1HD1      ILE 100   5.120  -1.706  -1.070
  686   2HD1  ILE 100          2HD1      ILE 100   3.626  -0.797  -1.317
  687   3HD1  ILE 100          3HD1      ILE 100   4.971  -0.603  -2.444
  688    H    LYS 101           H        LYS 101   8.947   3.545   0.165
  689    HA   LYS 101           HA       LYS 101  10.737   3.051  -2.125
  690   1HB   LYS 101          1HB       LYS 101  10.509   5.381  -1.260
  691   2HB   LYS 101          2HB       LYS 101  11.106   4.853   0.307
  692   1HG   LYS 101          1HG       LYS 101  12.986   5.778  -0.653
  693   2HG   LYS 101          2HG       LYS 101  13.185   4.065  -1.025
  694   1HD   LYS 101          1HD       LYS 101  13.177   4.481  -3.209
  695   2HD   LYS 101          2HD       LYS 101  11.648   5.352  -3.082
  696   1HE   LYS 101          1HE       LYS 101  14.184   6.687  -2.243
  697   2HE   LYS 101          2HE       LYS 101  13.793   6.564  -3.956
  698   1HZ   LYS 101          1HZ       LYS 101  12.149   7.860  -1.850
  699   2HZ   LYS 101          2HZ       LYS 101  11.644   7.651  -3.459
  700   3HZ   LYS 101          3HZ       LYS 101  12.984   8.635  -3.104
  701    H    ASN 102           H        ASN 102  12.525   1.745  -1.919
  702    HA   ASN 102           HA       ASN 102  12.509   0.170   0.559
  703   1HB   ASN 102          1HB       ASN 102  11.912  -1.211  -1.236
  704   2HB   ASN 102          2HB       ASN 102  13.184  -0.570  -2.270
  705   1HD2  ASN 102          1HD2      ASN 102  15.288  -1.321  -2.039
  706   2HD2  ASN 102          2HD2      ASN 102  15.691  -2.693  -1.068
  707    H    ASN 103           H        ASN 103  14.075   0.635   1.889
  708    HA   ASN 103           HA       ASN 103  16.126   0.494   2.794
  709   1HB   ASN 103          1HB       ASN 103  15.997  -1.449   0.743
  710   2HB   ASN 103          2HB       ASN 103  17.607  -0.739   0.675
  711   1HD2  ASN 103          1HD2      ASN 103  15.306  -1.724   3.184
  712   2HD2  ASN 103          2HD2      ASN 103  16.452  -2.641   4.108
  713    H    SER 104           H        SER 104  17.665   0.411  -0.269
  714    HA   SER 104           HA       SER 104  18.508   3.016  -0.610
  715   1HB   SER 104          1HB       SER 104  19.657   1.677   1.730
  716   2HB   SER 104          2HB       SER 104  20.867   2.351   0.639
  717    HG   SER 104           HG       SER 104  18.663   3.741   1.772
  718    H    SER 105           H        SER 105  21.213   0.975  -0.081
  719    HA   SER 105           HA       SER 105  21.563   0.671  -2.945
  720   1HB   SER 105          1HB       SER 105  23.772  -0.443  -1.911
  721   2HB   SER 105          2HB       SER 105  23.578   1.305  -2.064
  722    HG   SER 105           HG       SER 105  23.339  -0.336   0.230
  723    H    GLU 106           H        GLU 106  20.649  -1.222  -0.219
  724    HA   GLU 106           HA       GLU 106  21.460  -3.745  -1.383
  725   1HB   GLU 106          1HB       GLU 106  20.446  -2.818   1.252
  726   2HB   GLU 106          2HB       GLU 106  20.147  -4.495   0.816
  727   1HG   GLU 106          1HG       GLU 106  22.230  -4.007   2.166
  728   2HG   GLU 106          2HG       GLU 106  22.426  -4.996   0.721
  729    H    THR 107           H        THR 107  20.104  -5.407  -1.954
  730    HA   THR 107           HA       THR 107  17.448  -4.691  -2.829
  731    HB   THR 107           HB       THR 107  18.441  -7.506  -2.900
  732    HG1  THR 107           HG1      THR 107  19.451  -5.383  -4.532
  733   1HG2  THR 107          1HG2      THR 107  16.683  -7.643  -4.259
  734   2HG2  THR 107          2HG2      THR 107  17.548  -6.617  -5.404
  735   3HG2  THR 107          3HG2      THR 107  16.459  -5.893  -4.221
  736    H    SER 108           H        SER 108  15.537  -5.400  -1.958
  737    HA   SER 108           HA       SER 108  15.598  -7.319   0.241
  738   1HB   SER 108          1HB       SER 108  14.011  -4.788   0.599
  739   2HB   SER 108          2HB       SER 108  14.564  -5.934   1.821
  740    HG   SER 108           HG       SER 108  16.413  -4.925   1.942
  741    H    ASN 109           H        ASN 109  13.256  -7.826   0.899
  742    HA   ASN 109           HA       ASN 109  11.479  -7.551  -1.430
  743   1HB   ASN 109          1HB       ASN 109  10.808  -9.729  -1.288
  744   2HB   ASN 109          2HB       ASN 109  12.372  -9.943  -0.512
  745   1HD2  ASN 109          1HD2      ASN 109   8.992 -10.153  -0.173
  746   2HD2  ASN 109          2HD2      ASN 109   8.958 -10.608   1.498
  747    H    TYR 110           H        TYR 110   9.552  -6.599  -1.069
  748    HA   TYR 110           HA       TYR 110   8.849  -6.188   1.750
  749   1HB   TYR 110          1HB       TYR 110   7.469  -4.256   1.009
  750   2HB   TYR 110          2HB       TYR 110   9.192  -4.033   0.754
  751    HD1  TYR 110           HD1      TYR 110   8.828  -2.194  -0.815
  752    HD2  TYR 110           HD2      TYR 110   7.210  -6.065  -1.592
  753    HE1  TYR 110           HE1      TYR 110   8.353  -1.512  -3.124
  754    HE2  TYR 110           HE2      TYR 110   6.691  -5.395  -3.884
  755    HH   TYR 110           HH       TYR 110   7.059  -2.099  -4.986
  756    H    SER 111           H        SER 111   6.638  -6.402   2.330
  757    HA   SER 111           HA       SER 111   4.984  -7.754   0.321
  758   1HB   SER 111          1HB       SER 111   5.909  -9.389   1.971
  759   2HB   SER 111          2HB       SER 111   5.074  -8.511   3.248
  760    HG   SER 111           HG       SER 111   3.087  -8.996   2.212
  761    H    LEU 112           H        LEU 112   3.682  -6.121  -0.144
  762    HA   LEU 112           HA       LEU 112   2.496  -4.555   2.008
  763   1HB   LEU 112          1HB       LEU 112   3.279  -3.812  -0.449
  764   2HB   LEU 112          2HB       LEU 112   1.619  -4.236  -0.813
  765    HG   LEU 112           HG       LEU 112   2.187  -1.783  -0.252
  766   1HD1  LEU 112          1HD1      LEU 112  -0.090  -3.302   0.990
  767   2HD1  LEU 112          2HD1      LEU 112   0.009  -1.541   0.990
  768   3HD1  LEU 112          3HD1      LEU 112  -0.066  -2.419  -0.537
  769   1HD2  LEU 112          1HD2      LEU 112   3.380  -1.735   1.696
  770   2HD2  LEU 112          2HD2      LEU 112   1.750  -1.514   2.333
  771   3HD2  LEU 112          3HD2      LEU 112   2.513  -3.103   2.394
  772    H    ASP 113           H        ASP 113   1.069  -5.850   3.062
  773    HA   ASP 113           HA       ASP 113  -0.937  -7.258   1.456
  774   1HB   ASP 113          1HB       ASP 113  -0.930  -7.440   4.439
  775   2HB   ASP 113          2HB       ASP 113  -1.399  -8.643   3.251
  776    H    ALA 114           H        ALA 114  -2.548  -5.946   0.890
  777    HA   ALA 114           HA       ALA 114  -3.663  -4.176   2.973
  778   1HB   ALA 114          1HB       ALA 114  -4.294  -2.616   1.194
  779   2HB   ALA 114          2HB       ALA 114  -2.552  -2.880   1.241
  780   3HB   ALA 114          3HB       ALA 114  -3.529  -3.668   0.002
  781    H    THR 115           H        THR 115  -5.805  -4.268   3.347
  782    HA   THR 115           HA       THR 115  -7.337  -6.305   1.958
  783    HB   THR 115           HB       THR 115  -8.845  -4.835   3.929
  784    HG1  THR 115           HG1      THR 115  -7.464  -5.368   5.721
  785   1HG2  THR 115          1HG2      THR 115  -9.590  -6.900   4.329
  786   2HG2  THR 115          2HG2      THR 115  -7.972  -7.463   4.748
  787   3HG2  THR 115          3HG2      THR 115  -8.497  -7.468   3.066
  788    H    VAL 116           H        VAL 116  -8.326  -5.725   0.141
  789    HA   VAL 116           HA       VAL 116  -9.540  -3.043  -0.007
  790    HB   VAL 116           HB       VAL 116  -9.067  -3.076  -2.452
  791   1HG1  VAL 116          1HG1      VAL 116  -6.709  -3.204  -0.580
  792   2HG1  VAL 116          2HG1      VAL 116  -6.624  -2.610  -2.240
  793   3HG1  VAL 116          3HG1      VAL 116  -7.629  -1.776  -1.055
  794   1HG2  VAL 116          1HG2      VAL 116  -8.705  -5.211  -3.174
  795   2HG2  VAL 116          2HG2      VAL 116  -7.032  -4.697  -2.960
  796   3HG2  VAL 116          3HG2      VAL 116  -7.818  -5.674  -1.721
  797    H    HIS 117           H        HIS 117 -11.359  -2.899  -1.539
  798    HA   HIS 117           HA       HIS 117 -12.828  -5.434  -1.665
  799   1HB   HIS 117          1HB       HIS 117 -13.724  -3.108  -0.679
  800   2HB   HIS 117          2HB       HIS 117 -14.180  -2.885  -2.366
  801    HD1  HIS 117           HD1      HIS 117 -14.324  -6.107  -0.367
  802    HD2  HIS 117           HD2      HIS 117 -16.864  -3.389  -2.238
  803    HE1  HIS 117           HE1      HIS 117 -16.615  -7.134  -0.262
  804    HE2  HIS 117           HE2      HIS 117 -18.158  -5.362  -1.167
  805    H    ASP 118           H        ASP 118 -11.033  -5.637  -3.416
  806    HA   ASP 118           HA       ASP 118 -12.329  -5.043  -5.983
  807   1HB   ASP 118          1HB       ASP 118 -10.362  -3.498  -5.533
  808   2HB   ASP 118          2HB       ASP 118  -9.335  -4.928  -5.570
  809    H    ASP 119           H        ASP 119 -11.916  -6.633  -7.622
  810    HA   ASP 119           HA       ASP 119 -10.777  -9.139  -6.566
  811   1HB   ASP 119          1HB       ASP 119 -13.458  -8.731  -7.077
  812   2HB   ASP 119          2HB       ASP 119 -12.892  -9.509  -8.554
  813    H    LYS 120           H        LYS 120  -9.801  -6.927  -8.382
  814    HA   LYS 120           HA       LYS 120  -9.011  -8.702 -10.603
  815   1HB   LYS 120          1HB       LYS 120 -10.342  -6.267 -10.803
  816   2HB   LYS 120          2HB       LYS 120  -8.665  -5.861 -11.139
  817   1HG   LYS 120          1HG       LYS 120 -10.083  -8.113 -12.529
  818   2HG   LYS 120          2HG       LYS 120 -10.127  -6.451 -13.119
  819   1HD   LYS 120          1HD       LYS 120  -7.706  -8.211 -12.769
  820   2HD   LYS 120          2HD       LYS 120  -8.385  -7.607 -14.281
  821   1HE   LYS 120          1HE       LYS 120  -7.769  -5.460 -12.435
  822   2HE   LYS 120          2HE       LYS 120  -6.352  -6.449 -12.788
  823   1HZ   LYS 120          1HZ       LYS 120  -8.020  -5.634 -15.046
  824   2HZ   LYS 120          2HZ       LYS 120  -6.334  -5.823 -14.950
  825   3HZ   LYS 120          3HZ       LYS 120  -7.070  -4.436 -14.309
  826    H    GLU 121           H        GLU 121  -8.077  -6.328  -8.218
  827    HA   GLU 121           HA       GLU 121  -6.092  -5.877  -7.215
  828   1HB   GLU 121          1HB       GLU 121  -5.935  -8.525  -7.647
  829   2HB   GLU 121          2HB       GLU 121  -4.602  -8.003  -8.666
  830   1HG   GLU 121          1HG       GLU 121  -4.296  -6.635  -6.239
  831   2HG   GLU 121          2HG       GLU 121  -4.712  -8.297  -5.818
  832    H    ASP 122           H        ASP 122  -3.594  -6.797  -8.999
  833    HA   ASP 122           HA       ASP 122  -2.318  -6.016 -10.707
  834   1HB   ASP 122          1HB       ASP 122  -4.363  -6.034 -12.098
  835   2HB   ASP 122          2HB       ASP 122  -4.739  -4.406 -11.551
  836    H    SER 123           H        SER 123  -4.371  -3.218  -9.909
  837    HA   SER 123           HA       SER 123  -3.896  -1.085  -9.326
  838   1HB   SER 123          1HB       SER 123  -1.295  -2.119  -8.179
  839   2HB   SER 123          2HB       SER 123  -2.176  -0.668  -7.706
  840    HG   SER 123           HG       SER 123  -2.664  -3.351  -7.085
  841    H    ASP 124           H        ASP 124  -0.628  -2.262  -9.932
  842    HA   ASP 124           HA       ASP 124  -0.310  -1.312 -12.537
  843   1HB   ASP 124          1HB       ASP 124  -0.422   0.921 -11.260
  844   2HB   ASP 124          2HB       ASP 124   1.127   0.464 -10.556
  845    H    VAL 125           H        VAL 125   2.202  -0.600 -10.262
  846    HA   VAL 125           HA       VAL 125   3.984  -1.713  -9.431
  847    HB   VAL 125           HB       VAL 125   2.216  -4.006 -10.111
  848   1HG1  VAL 125          1HG1      VAL 125   4.383  -4.835 -10.861
  849   2HG1  VAL 125          2HG1      VAL 125   5.112  -4.353  -9.330
  850   3HG1  VAL 125          3HG1      VAL 125   3.900  -5.637  -9.365
  851   1HG2  VAL 125          1HG2      VAL 125   1.717  -3.716  -7.979
  852   2HG2  VAL 125          2HG2      VAL 125   3.360  -4.205  -7.556
  853   3HG2  VAL 125          3HG2      VAL 125   2.982  -2.499  -7.814
  854    H    LEU 126           H        LEU 126   2.976  -2.912 -12.623
  855    HA   LEU 126           HA       LEU 126   5.548  -3.771 -13.432
  856   1HB   LEU 126          1HB       LEU 126   2.898  -3.497 -14.618
  857   2HB   LEU 126          2HB       LEU 126   4.189  -3.189 -15.763
  858    HG   LEU 126           HG       LEU 126   3.657  -5.491 -15.962
  859   1HD1  LEU 126          1HD1      LEU 126   5.892  -5.600 -16.168
  860   2HD1  LEU 126          2HD1      LEU 126   6.183  -4.774 -14.638
  861   3HD1  LEU 126          3HD1      LEU 126   5.783  -6.492 -14.649
  862   1HD2  LEU 126          1HD2      LEU 126   4.151  -6.715 -13.532
  863   2HD2  LEU 126          2HD2      LEU 126   3.211  -5.285 -13.105
  864   3HD2  LEU 126          3HD2      LEU 126   2.572  -6.447 -14.269
  865    H    THR 127           H        THR 127   3.875  -0.685 -13.693
  866    HA   THR 127           HA       THR 127   6.137   0.457 -15.138
  867    HB   THR 127           HB       THR 127   4.062   2.270 -14.071
  868    HG1  THR 127           HG1      THR 127   2.663   0.660 -14.645
  869   1HG2  THR 127          1HG2      THR 127   4.856   2.007 -16.935
  870   2HG2  THR 127          2HG2      THR 127   6.015   2.661 -15.779
  871   3HG2  THR 127          3HG2      THR 127   4.457   3.452 -16.006
  872    H    LYS 128           H        LYS 128   7.814   0.439 -13.775
  873    HA   LYS 128           HA       LYS 128   7.804   0.804 -11.033
  874   1HB   LYS 128          1HB       LYS 128  10.274   1.760 -11.796
  875   2HB   LYS 128          2HB       LYS 128   9.867   0.079 -11.488
  876   1HG   LYS 128          1HG       LYS 128   9.699  -0.428 -13.742
  877   2HG   LYS 128          2HG       LYS 128   9.474   1.258 -14.209
  878   1HD   LYS 128          1HD       LYS 128  11.676   0.638 -14.861
  879   2HD   LYS 128          2HD       LYS 128  11.835   1.674 -13.440
  880   1HE   LYS 128          1HE       LYS 128  11.572  -1.064 -12.631
  881   2HE   LYS 128          2HE       LYS 128  12.865  -0.919 -13.821
  882   1HZ   LYS 128          1HZ       LYS 128  12.670   0.879 -11.472
  883   2HZ   LYS 128          2HZ       LYS 128  14.012   0.601 -12.473
  884   3HZ   LYS 128          3HZ       LYS 128  13.486  -0.605 -11.405
  885    H    CYS 129           H        CYS 129   7.595   2.504  -9.733
  886    HA   CYS 129           HA       CYS 129   8.027   5.187 -10.855
  887   1HB   CYS 129          1HB       CYS 129   6.235   5.384  -8.668
  888   2HB   CYS 129          2HB       CYS 129   5.906   5.700 -10.368
  889    HA   PRO 130           HA       PRO 130  10.827   4.832  -7.234
  890   1HB   PRO 130          1HB       PRO 130  12.935   6.059  -8.383
  891   2HB   PRO 130          2HB       PRO 130  12.590   4.346  -8.645
  892   1HG   PRO 130          1HG       PRO 130  12.042   6.683 -10.417
  893   2HG   PRO 130          2HG       PRO 130  12.598   5.057 -10.845
  894   1HD   PRO 130          1HD       PRO 130   9.999   5.924 -11.081
  895   2HD   PRO 130          2HD       PRO 130  10.476   4.225 -10.911
  896    H    VAL 131           H        VAL 131   9.049   6.431  -6.578
  897    HA   VAL 131           HA       VAL 131   9.842   9.221  -7.020
  898    HB   VAL 131           HB       VAL 131   7.307   8.563  -5.600
  899   1HG1  VAL 131          1HG1      VAL 131   6.518  10.488  -6.958
  900   2HG1  VAL 131          2HG1      VAL 131   7.883  10.867  -5.905
  901   3HG1  VAL 131          3HG1      VAL 131   8.143  10.622  -7.632
  902   1HG2  VAL 131          1HG2      VAL 131   7.510   8.364  -8.602
  903   2HG2  VAL 131          2HG2      VAL 131   7.439   6.966  -7.530
  904   3HG2  VAL 131          3HG2      VAL 131   6.085   8.095  -7.598
  Start of MODEL   17
    1   1H    ARG  14          1H        ARG  14 -14.704  -4.734   4.991
    2    HA   ARG  14           HA       ARG  14 -12.925  -6.632   3.612
    3   1HB   ARG  14          1HB       ARG  14 -14.740  -6.728   1.823
    4   2HB   ARG  14          2HB       ARG  14 -15.055  -7.582   3.324
    5   1HG   ARG  14          1HG       ARG  14 -16.299  -5.424   4.018
    6   2HG   ARG  14          2HG       ARG  14 -16.283  -5.062   2.292
    7   1HD   ARG  14          1HD       ARG  14 -17.278  -7.685   3.367
    8   2HD   ARG  14          2HD       ARG  14 -18.329  -6.279   3.213
    9    HE   ARG  14           HE       ARG  14 -17.260  -7.922   1.068
   10   1HH1  ARG  14          1HH1      ARG  14 -18.936  -4.973   1.971
   11   2HH1  ARG  14          2HH1      ARG  14 -19.541  -4.677   0.370
   12   1HH2  ARG  14          1HH2      ARG  14 -18.067  -7.536  -1.044
   13   2HH2  ARG  14          2HH2      ARG  14 -19.039  -6.122  -1.347
   14    H    ILE  15           H        ILE  15 -11.343  -5.100   3.179
   15    HA   ILE  15           HA       ILE  15 -11.918  -2.753   1.640
   16    HB   ILE  15           HB       ILE  15  -9.260  -4.159   1.543
   17   1HG1  ILE  15          1HG1      ILE  15  -9.954  -2.201   3.729
   18   2HG1  ILE  15          2HG1      ILE  15 -10.149  -3.939   3.953
   19   1HG2  ILE  15          1HG2      ILE  15  -8.375  -2.069   1.047
   20   2HG2  ILE  15          2HG2      ILE  15  -9.918  -2.074   0.192
   21   3HG2  ILE  15          3HG2      ILE  15  -9.761  -1.212   1.722
   22   1HD1  ILE  15          1HD1      ILE  15  -7.781  -4.284   3.547
   23   2HD1  ILE  15          2HD1      ILE  15  -7.569  -2.561   3.230
   24   3HD1  ILE  15          3HD1      ILE  15  -8.018  -3.110   4.843
   25    HA   PRO  16           HA       PRO  16 -12.388  -5.141  -2.100
   26   1HB   PRO  16          1HB       PRO  16 -13.204  -2.828  -3.523
   27   2HB   PRO  16          2HB       PRO  16 -14.243  -4.039  -2.774
   28   1HG   PRO  16          1HG       PRO  16 -14.000  -1.373  -1.975
   29   2HG   PRO  16          2HG       PRO  16 -14.723  -2.684  -1.028
   30   1HD   PRO  16          1HD       PRO  16 -11.995  -1.485  -0.836
   31   2HD   PRO  16          2HD       PRO  16 -13.040  -2.135   0.447
   32    H    ASN  17           H        ASN  17  -9.803  -4.944  -1.818
   33    HA   ASN  17           HA       ASN  17  -8.864  -3.628  -4.241
   34   1HB   ASN  17          1HB       ASN  17  -8.710  -2.219  -1.951
   35   2HB   ASN  17          2HB       ASN  17  -7.167  -3.060  -1.890
   36   1HD2  ASN  17          1HD2      ASN  17  -7.889  -2.816  -5.091
   37   2HD2  ASN  17          2HD2      ASN  17  -7.086  -1.328  -5.443
   38    H    ILE  18           H        ILE  18  -6.389  -4.289  -1.961
   39    HA   ILE  18           HA       ILE  18  -5.338  -6.049  -4.033
   40    HB   ILE  18           HB       ILE  18  -3.481  -4.860  -3.978
   41   1HG1  ILE  18          1HG1      ILE  18  -3.480  -5.195  -0.976
   42   2HG1  ILE  18          2HG1      ILE  18  -2.593  -6.165  -2.146
   43   1HG2  ILE  18          1HG2      ILE  18  -3.533  -2.758  -2.423
   44   2HG2  ILE  18          2HG2      ILE  18  -4.642  -2.890  -3.789
   45   3HG2  ILE  18          3HG2      ILE  18  -5.208  -3.252  -2.158
   46   1HD1  ILE  18          1HD1      ILE  18  -1.947  -3.567  -0.971
   47   2HD1  ILE  18          2HD1      ILE  18  -0.891  -4.818  -1.626
   48   3HD1  ILE  18          3HD1      ILE  18  -1.678  -3.672  -2.709
   49    H    ALA  19           H        ALA  19  -4.131  -7.788  -3.689
   50    HA   ALA  19           HA       ALA  19  -4.859  -9.485  -1.509
   51   1HB   ALA  19          1HB       ALA  19  -4.103  -9.867  -4.130
   52   2HB   ALA  19          2HB       ALA  19  -2.708 -10.437  -3.216
   53   3HB   ALA  19          3HB       ALA  19  -4.300 -11.129  -2.914
   54    H    THR  20           H        THR  20  -2.872 -10.934  -0.689
   55    HA   THR  20           HA       THR  20  -1.087  -9.203   0.716
   56    HB   THR  20           HB       THR  20  -0.792 -12.196   0.392
   57    HG1  THR  20           HG1      THR  20  -2.835 -10.871   1.487
   58   1HG2  THR  20          1HG2      THR  20   1.080 -11.657   1.551
   59   2HG2  THR  20          2HG2      THR  20  -0.036 -11.636   2.917
   60   3HG2  THR  20          3HG2      THR  20   0.413 -10.127   2.122
   61    H    TYR  21           H        TYR  21   0.394  -8.135  -0.391
   62    HA   TYR  21           HA       TYR  21   1.523  -9.152  -2.854
   63   1HB   TYR  21          1HB       TYR  21   1.599  -6.565  -1.355
   64   2HB   TYR  21          2HB       TYR  21   2.822  -6.882  -2.577
   65    HD1  TYR  21           HD1      TYR  21  -0.254  -8.454  -3.411
   66    HD2  TYR  21           HD2      TYR  21   1.781  -4.719  -3.469
   67    HE1  TYR  21           HE1      TYR  21  -1.799  -7.654  -5.154
   68    HE2  TYR  21           HE2      TYR  21   0.242  -3.911  -5.213
   69    HH   TYR  21           HH       TYR  21  -1.700  -4.299  -6.282
   70    H    THR  22           H        THR  22   3.123 -10.653  -2.603
   71    HA   THR  22           HA       THR  22   5.312  -9.903  -0.779
   72    HB   THR  22           HB       THR  22   4.965 -12.612  -2.024
   73    HG1  THR  22           HG1      THR  22   3.095 -11.904  -0.715
   74   1HG2  THR  22          1HG2      THR  22   6.738 -13.215  -0.792
   75   2HG2  THR  22          2HG2      THR  22   6.104 -12.415   0.647
   76   3HG2  THR  22          3HG2      THR  22   7.012 -11.490  -0.549
   77    H    GLY  23           H        GLY  23   6.404  -8.499  -2.113
   78   1HA   GLY  23          1HA       GLY  23   7.440  -9.641  -4.625
   79   2HA   GLY  23          2HA       GLY  23   6.797  -8.006  -4.571
   80    H    THR  24           H        THR  24   9.359  -8.577  -5.439
   81    HA   THR  24           HA       THR  24  11.065  -7.659  -3.235
   82    HB   THR  24           HB       THR  24  12.336  -8.439  -5.782
   83    HG1  THR  24           HG1      THR  24  10.926 -10.314  -4.144
   84   1HG2  THR  24          1HG2      THR  24  13.171  -9.888  -3.446
   85   2HG2  THR  24          2HG2      THR  24  13.043  -8.169  -3.072
   86   3HG2  THR  24          3HG2      THR  24  14.067  -8.708  -4.402
   87    H    ILE  25           H        ILE  25  11.256  -5.518  -3.183
   88    HA   ILE  25           HA       ILE  25  10.864  -3.914  -5.545
   89    HB   ILE  25           HB       ILE  25  10.139  -3.317  -3.160
   90   1HG1  ILE  25          1HG1      ILE  25  10.564  -1.797  -5.372
   91   2HG1  ILE  25          2HG1      ILE  25   9.839  -1.200  -3.886
   92   1HG2  ILE  25          1HG2      ILE  25  12.064  -1.788  -2.150
   93   2HG2  ILE  25          2HG2      ILE  25  11.872  -3.487  -1.723
   94   3HG2  ILE  25          3HG2      ILE  25  13.070  -3.011  -2.927
   95   1HD1  ILE  25          1HD1      ILE  25  11.388   0.397  -4.052
   96   2HD1  ILE  25          2HD1      ILE  25  12.476  -0.814  -3.377
   97   3HD1  ILE  25          3HD1      ILE  25  12.412  -0.561  -5.122
   98    H    GLN  26           H        GLN  26  12.435  -2.323  -6.294
   99    HA   GLN  26           HA       GLN  26  14.908  -3.643  -6.831
  100   1HB   GLN  26          1HB       GLN  26  13.677  -2.263  -8.492
  101   2HB   GLN  26          2HB       GLN  26  14.043  -0.835  -7.537
  102   1HG   GLN  26          1HG       GLN  26  16.518  -1.916  -7.905
  103   2HG   GLN  26          2HG       GLN  26  15.704  -2.312  -9.419
  104   1HE2  GLN  26          1HE2      GLN  26  17.017   0.197  -7.447
  105   2HE2  GLN  26          2HE2      GLN  26  16.800   1.484  -8.589
  106    H    GLY  27           H        GLY  27  16.968  -3.109  -6.208
  107   1HA   GLY  27          1HA       GLY  27  17.383  -2.054  -3.650
  108   2HA   GLY  27          2HA       GLY  27  18.633  -2.282  -4.863
  109    H    LYS  28           H        LYS  28  17.346  -0.088  -2.892
  110    HA   LYS  28           HA       LYS  28  17.251   2.164  -2.731
  111   1HB   LYS  28          1HB       LYS  28  19.463   1.707  -4.674
  112   2HB   LYS  28          2HB       LYS  28  18.869   3.350  -4.484
  113   1HG   LYS  28          1HG       LYS  28  19.887   1.595  -2.260
  114   2HG   LYS  28          2HG       LYS  28  20.791   2.891  -3.044
  115   1HD   LYS  28          1HD       LYS  28  18.170   3.290  -1.610
  116   2HD   LYS  28          2HD       LYS  28  19.749   3.523  -0.858
  117   1HE   LYS  28          1HE       LYS  28  19.962   5.002  -3.154
  118   2HE   LYS  28          2HE       LYS  28  18.271   5.235  -2.713
  119   1HZ   LYS  28          1HZ       LYS  28  19.620   5.537  -0.358
  120   2HZ   LYS  28          2HZ       LYS  28  19.014   6.786  -1.331
  121   3HZ   LYS  28          3HZ       LYS  28  20.631   6.296  -1.492
  122    H    GLY  29           H        GLY  29  15.023   1.733  -3.621
  123   1HA   GLY  29          1HA       GLY  29  14.660   3.372  -6.038
  124   2HA   GLY  29          2HA       GLY  29  13.864   1.812  -5.913
  125    H    GLU  30           H        GLU  30  12.267   3.784  -6.389
  126    HA   GLU  30           HA       GLU  30  10.760   4.177  -3.920
  127   1HB   GLU  30          1HB       GLU  30  11.841   6.381  -5.655
  128   2HB   GLU  30          2HB       GLU  30  10.310   6.598  -4.823
  129   1HG   GLU  30          1HG       GLU  30  11.721   5.812  -2.742
  130   2HG   GLU  30          2HG       GLU  30  13.056   6.409  -3.723
  131    H    VAL  31           H        VAL  31   8.838   3.364  -4.349
  132    HA   VAL  31           HA       VAL  31   7.477   3.892  -6.876
  133    HB   VAL  31           HB       VAL  31   8.035   1.938  -7.854
  134   1HG1  VAL  31          1HG1      VAL  31   9.122   0.606  -5.416
  135   2HG1  VAL  31          2HG1      VAL  31   9.688   0.543  -7.085
  136   3HG1  VAL  31          3HG1      VAL  31   9.978   1.984  -6.112
  137   1HG2  VAL  31          1HG2      VAL  31   7.183  -0.005  -5.851
  138   2HG2  VAL  31          2HG2      VAL  31   5.968   1.232  -6.182
  139   3HG2  VAL  31          3HG2      VAL  31   6.611   0.255  -7.502
  140    H    CYS  32           H        CYS  32   5.187   3.040  -6.791
  141    HA   CYS  32           HA       CYS  32   4.058   3.811  -4.301
  142   1HB   CYS  32          1HB       CYS  32   2.887   2.623  -6.815
  143   2HB   CYS  32          2HB       CYS  32   1.899   2.991  -5.406
  144    H    ILE  33           H        ILE  33   4.447   2.557  -2.621
  145    HA   ILE  33           HA       ILE  33   2.908   0.252  -2.195
  146    HB   ILE  33           HB       ILE  33   5.280  -0.940  -1.413
  147   1HG1  ILE  33          1HG1      ILE  33   5.600   0.157  -4.212
  148   2HG1  ILE  33          2HG1      ILE  33   6.664   0.428  -2.836
  149   1HG2  ILE  33          1HG2      ILE  33   3.074  -1.807  -2.442
  150   2HG2  ILE  33          2HG2      ILE  33   3.940  -1.694  -3.975
  151   3HG2  ILE  33          3HG2      ILE  33   4.558  -2.729  -2.686
  152   1HD1  ILE  33          1HD1      ILE  33   6.372  -1.973  -4.566
  153   2HD1  ILE  33          2HD1      ILE  33   7.830  -1.146  -4.020
  154   3HD1  ILE  33          3HD1      ILE  33   6.925  -2.168  -2.902
  155    H    ILE  34           H        ILE  34   4.004  -0.800   0.015
  156    HA   ILE  34           HA       ILE  34   3.542   1.235   1.948
  157    HB   ILE  34           HB       ILE  34   4.600  -0.944   3.320
  158   1HG1  ILE  34          1HG1      ILE  34   3.328  -2.849   2.304
  159   2HG1  ILE  34          2HG1      ILE  34   3.028  -1.842   0.894
  160   1HG2  ILE  34          1HG2      ILE  34   1.745  -1.134   2.840
  161   2HG2  ILE  34          2HG2      ILE  34   2.619  -0.773   4.330
  162   3HG2  ILE  34          3HG2      ILE  34   2.258   0.519   3.183
  163   1HD1  ILE  34          1HD1      ILE  34   5.084  -2.170   0.068
  164   2HD1  ILE  34          2HD1      ILE  34   5.851  -2.131   1.656
  165   3HD1  ILE  34          3HD1      ILE  34   5.048  -3.599   1.101
  166    H    GLY  35           H        GLY  35   5.613  -0.248   3.795
  167   1HA   GLY  35          1HA       GLY  35   8.207   0.068   3.184
  168   2HA   GLY  35          2HA       GLY  35   7.703   1.734   3.402
  169    H    ASN  36           H        ASN  36   9.371   1.688   5.063
  170    HA   ASN  36           HA       ASN  36   8.423   0.654   7.655
  171   1HB   ASN  36          1HB       ASN  36  10.369  -0.646   6.509
  172   2HB   ASN  36          2HB       ASN  36  11.348   0.750   6.930
  173   1HD2  ASN  36          1HD2      ASN  36  11.936  -1.767   7.813
  174   2HD2  ASN  36          2HD2      ASN  36  11.707  -1.845   9.536
  175    H    LYS  37           H        LYS  37  10.129   1.746   9.384
  176    HA   LYS  37           HA       LYS  37  11.004   3.585  10.375
  177   1HB   LYS  37          1HB       LYS  37  11.817   3.863   7.757
  178   2HB   LYS  37          2HB       LYS  37  11.032   5.401   8.090
  179   1HG   LYS  37          1HG       LYS  37  13.161   5.869   8.751
  180   2HG   LYS  37          2HG       LYS  37  12.474   5.305  10.277
  181   1HD   LYS  37          1HD       LYS  37  13.567   3.262  10.156
  182   2HD   LYS  37          2HD       LYS  37  13.819   3.386   8.412
  183   1HE   LYS  37          1HE       LYS  37  15.463   5.124   8.735
  184   2HE   LYS  37          2HE       LYS  37  15.151   5.140  10.473
  185   1HZ   LYS  37          1HZ       LYS  37  17.149   3.880   9.906
  186   2HZ   LYS  37          2HZ       LYS  37  16.228   2.828   8.944
  187   3HZ   LYS  37          3HZ       LYS  37  15.975   2.887  10.621
  188    H    GLU  38           H        GLU  38   9.382   4.152  11.666
  189    HA   GLU  38           HA       GLU  38   6.972   5.368  10.721
  190   1HB   GLU  38          1HB       GLU  38   7.728   3.970  12.977
  191   2HB   GLU  38          2HB       GLU  38   7.515   5.608  13.583
  192   1HG   GLU  38          1HG       GLU  38   5.423   4.308  11.885
  193   2HG   GLU  38          2HG       GLU  38   5.512   4.011  13.622
  194    H    GLY  39           H        GLY  39   6.132   7.388  11.755
  195   1HA   GLY  39          1HA       GLY  39   8.013   9.394  12.602
  196   2HA   GLY  39          2HA       GLY  39   7.469   9.635  10.948
  197    H    LYS  40           H        LYS  40   4.809   8.498  11.522
  198    HA   LYS  40           HA       LYS  40   3.614  10.468  13.309
  199   1HB   LYS  40          1HB       LYS  40   3.303  10.450  10.323
  200   2HB   LYS  40          2HB       LYS  40   1.942  10.934  11.324
  201   1HG   LYS  40          1HG       LYS  40   3.490  12.622  12.387
  202   2HG   LYS  40          2HG       LYS  40   4.636  12.242  11.099
  203   1HD   LYS  40          1HD       LYS  40   2.398  12.659   9.648
  204   2HD   LYS  40          2HD       LYS  40   2.099  13.746  11.004
  205   1HE   LYS  40          1HE       LYS  40   4.813  14.006  10.116
  206   2HE   LYS  40          2HE       LYS  40   3.716  14.207   8.753
  207   1HZ   LYS  40          1HZ       LYS  40   2.471  15.736  10.460
  208   2HZ   LYS  40          2HZ       LYS  40   3.780  16.325   9.555
  209   3HZ   LYS  40          3HZ       LYS  40   4.009  15.842  11.167
  210    H    THR  41           H        THR  41   2.976   8.620  14.514
  211    HA   THR  41           HA       THR  41   1.763   6.358  13.314
  212    HB   THR  41           HB       THR  41   2.999   6.662  15.630
  213    HG1  THR  41           HG1      THR  41   1.186   4.798  14.662
  214   1HG2  THR  41          1HG2      THR  41   0.251   6.420  16.735
  215   2HG2  THR  41          2HG2      THR  41   0.856   8.036  16.370
  216   3HG2  THR  41          3HG2      THR  41   1.731   7.000  17.498
  217    H    ARG  42           H        ARG  42   0.456   9.376  13.859
  218    HA   ARG  42           HA       ARG  42  -2.175   8.777  14.662
  219   1HB   ARG  42          1HB       ARG  42  -1.710  11.047  14.760
  220   2HB   ARG  42          2HB       ARG  42  -0.856  11.045  13.224
  221   1HG   ARG  42          1HG       ARG  42  -2.679  11.679  12.128
  222   2HG   ARG  42          2HG       ARG  42  -3.640  10.389  12.850
  223   1HD   ARG  42          1HD       ARG  42  -2.962  12.764  14.508
  224   2HD   ARG  42          2HD       ARG  42  -4.202  12.932  13.267
  225    HE   ARG  42           HE       ARG  42  -4.764  10.632  14.753
  226   1HH1  ARG  42          1HH1      ARG  42  -4.731  14.118  15.112
  227   2HH1  ARG  42          2HH1      ARG  42  -5.884  14.119  16.418
  228   1HH2  ARG  42          1HH2      ARG  42  -6.328  10.635  16.397
  229   2HH2  ARG  42          2HH2      ARG  42  -6.848  12.136  17.104
  230    H    GLY  43           H        GLY  43  -3.878   7.942  13.594
  231   1HA   GLY  43          1HA       GLY  43  -4.912   8.074  11.220
  232   2HA   GLY  43          2HA       GLY  43  -3.464   7.179  10.785
  233    H    GLY  44           H        GLY  44  -6.438   6.581  10.818
  234   1HA   GLY  44          1HA       GLY  44  -6.103   3.850  11.824
  235   2HA   GLY  44          2HA       GLY  44  -7.427   4.790  12.502
  236    H    GLU  45           H        GLU  45  -7.037   5.936   9.506
  237    HA   GLU  45           HA       GLU  45  -9.424   4.813   8.472
  238   1HB   GLU  45          1HB       GLU  45  -7.251   6.369   7.056
  239   2HB   GLU  45          2HB       GLU  45  -8.888   6.120   6.465
  240   1HG   GLU  45          1HG       GLU  45  -9.223   8.154   7.360
  241   2HG   GLU  45          2HG       GLU  45  -9.418   7.241   8.855
  242    H    LEU  46           H        LEU  46  -6.143   3.804   8.334
  243    HA   LEU  46           HA       LEU  46  -6.666   2.300   5.866
  244   1HB   LEU  46          1HB       LEU  46  -3.915   3.221   6.490
  245   2HB   LEU  46          2HB       LEU  46  -4.701   2.971   4.938
  246    HG   LEU  46           HG       LEU  46  -6.111   5.092   6.024
  247   1HD1  LEU  46          1HD1      LEU  46  -4.617   5.522   7.784
  248   2HD1  LEU  46          2HD1      LEU  46  -3.210   5.272   6.749
  249   3HD1  LEU  46          3HD1      LEU  46  -4.226   6.696   6.525
  250   1HD2  LEU  46          1HD2      LEU  46  -5.002   4.551   3.689
  251   2HD2  LEU  46          2HD2      LEU  46  -5.407   6.205   4.155
  252   3HD2  LEU  46          3HD2      LEU  46  -3.748   5.629   4.300
  253    H    TYR  47           H        TYR  47  -6.392   0.113   6.006
  254    HA   TYR  47           HA       TYR  47  -4.166  -0.773   7.653
  255   1HB   TYR  47          1HB       TYR  47  -5.683  -1.845   8.981
  256   2HB   TYR  47          2HB       TYR  47  -6.933  -1.799   7.738
  257    HD1  TYR  47           HD1      TYR  47  -7.236  -3.637   6.209
  258    HD2  TYR  47           HD2      TYR  47  -3.997  -3.665   8.962
  259    HE1  TYR  47           HE1      TYR  47  -6.799  -5.995   5.668
  260    HE2  TYR  47           HE2      TYR  47  -3.538  -6.014   8.409
  261    HH   TYR  47           HH       TYR  47  -3.981  -7.539   6.333
  262    H    ALA  48           H        ALA  48  -2.647  -1.170   6.246
  263    HA   ALA  48           HA       ALA  48  -2.942  -3.608   4.666
  264   1HB   ALA  48          1HB       ALA  48  -2.529  -0.984   3.507
  265   2HB   ALA  48          2HB       ALA  48  -1.094  -1.990   3.262
  266   3HB   ALA  48          3HB       ALA  48  -2.668  -2.553   2.698
  267    H    VAL  49           H        VAL  49  -1.672  -4.805   6.061
  268    HA   VAL  49           HA       VAL  49   0.449  -3.344   7.404
  269    HB   VAL  49           HB       VAL  49  -0.933  -4.589   8.890
  270   1HG1  VAL  49          1HG1      VAL  49  -1.497  -6.820   8.761
  271   2HG1  VAL  49          2HG1      VAL  49  -1.550  -6.304   7.075
  272   3HG1  VAL  49          3HG1      VAL  49  -0.158  -7.202   7.679
  273   1HG2  VAL  49          1HG2      VAL  49   1.887  -5.291   8.572
  274   2HG2  VAL  49          2HG2      VAL  49   1.007  -4.717   9.989
  275   3HG2  VAL  49          3HG2      VAL  49   0.959  -6.425   9.554
  276    H    LEU  50           H        LEU  50   2.300  -3.198   6.463
  277    HA   LEU  50           HA       LEU  50   3.273  -5.257   4.694
  278   1HB   LEU  50          1HB       LEU  50   3.853  -3.051   4.037
  279   2HB   LEU  50          2HB       LEU  50   4.431  -2.647   5.647
  280    HG   LEU  50           HG       LEU  50   6.250  -4.376   5.315
  281   1HD1  LEU  50          1HD1      LEU  50   4.889  -4.520   2.704
  282   2HD1  LEU  50          2HD1      LEU  50   6.653  -4.552   2.690
  283   3HD1  LEU  50          3HD1      LEU  50   5.756  -5.758   3.612
  284   1HD2  LEU  50          1HD2      LEU  50   6.020  -1.762   3.994
  285   2HD2  LEU  50          2HD2      LEU  50   7.236  -2.371   5.116
  286   3HD2  LEU  50          3HD2      LEU  50   7.320  -2.802   3.408
  287    H    HIS  51           H        HIS  51   4.739  -6.739   5.108
  288    HA   HIS  51           HA       HIS  51   6.264  -6.641   7.630
  289   1HB   HIS  51          1HB       HIS  51   5.737  -9.245   6.270
  290   2HB   HIS  51          2HB       HIS  51   5.989  -8.918   7.981
  291    HD1  HIS  51           HD1      HIS  51   3.889  -8.100   9.351
  292    HD2  HIS  51           HD2      HIS  51   3.111  -9.250   5.427
  293    HE1  HIS  51           HE1      HIS  51   1.391  -8.360   9.192
  294    HE2  HIS  51           HE2      HIS  51   0.941  -8.769   6.741
  295    H    SER  52           H        SER  52   8.354  -8.109   7.286
  296    HA   SER  52           HA       SER  52   9.203  -8.229   4.530
  297   1HB   SER  52          1HB       SER  52  10.285  -6.183   6.439
  298   2HB   SER  52          2HB       SER  52  11.322  -6.846   5.178
  299    HG   SER  52           HG       SER  52   8.797  -6.043   4.369
  300    H    THR  53           H        THR  53  10.874  -9.601   4.177
  301    HA   THR  53           HA       THR  53  12.402 -10.622   6.444
  302    HB   THR  53           HB       THR  53  11.633 -12.799   4.667
  303    HG1  THR  53           HG1      THR  53   9.584 -11.534   6.209
  304   1HG2  THR  53          1HG2      THR  53  10.956 -12.717   7.565
  305   2HG2  THR  53          2HG2      THR  53  12.659 -12.665   7.105
  306   3HG2  THR  53          3HG2      THR  53  11.651 -14.022   6.604
  307    H    ASN  54           H        ASN  54  13.940  -9.240   5.291
  308    HA   ASN  54           HA       ASN  54  15.398 -10.736   3.277
  309   1HB   ASN  54          1HB       ASN  54  15.265  -9.223   1.534
  310   2HB   ASN  54          2HB       ASN  54  13.646  -9.088   2.201
  311   1HD2  ASN  54          1HD2      ASN  54  13.070  -7.222   3.324
  312   2HD2  ASN  54          2HD2      ASN  54  14.001  -5.765   3.218
  313    H    VAL  55           H        VAL  55  17.384  -9.184   2.606
  314    HA   VAL  55           HA       VAL  55  19.129  -9.093   4.712
  315    HB   VAL  55           HB       VAL  55  19.694  -6.893   2.897
  316   1HG1  VAL  55          1HG1      VAL  55  21.018  -9.051   4.200
  317   2HG1  VAL  55          2HG1      VAL  55  21.413  -9.088   2.483
  318   3HG1  VAL  55          3HG1      VAL  55  21.711  -7.627   3.425
  319   1HG2  VAL  55          1HG2      VAL  55  19.835  -8.118   0.826
  320   2HG2  VAL  55          2HG2      VAL  55  19.241  -9.584   1.609
  321   3HG2  VAL  55          3HG2      VAL  55  18.176  -8.191   1.423
  322    H    ASN  56           H        ASN  56  17.473  -6.224   3.375
  323    HA   ASN  56           HA       ASN  56  17.686  -5.010   6.045
  324   1HB   ASN  56          1HB       ASN  56  18.838  -4.054   3.615
  325   2HB   ASN  56          2HB       ASN  56  17.551  -2.941   4.078
  326   1HD2  ASN  56          1HD2      ASN  56  18.835  -1.286   4.690
  327   2HD2  ASN  56          2HD2      ASN  56  19.910  -1.354   6.048
  328    H    ALA  57           H        ALA  57  15.677  -5.189   6.791
  329    HA   ALA  57           HA       ALA  57  13.356  -4.750   5.156
  330   1HB   ALA  57          1HB       ALA  57  12.749  -4.517   7.936
  331   2HB   ALA  57          2HB       ALA  57  12.358  -5.829   6.826
  332   3HB   ALA  57          3HB       ALA  57  13.884  -5.847   7.709
  333    H    ASP  58           H        ASP  58  15.625  -2.775   6.507
  334    HA   ASP  58           HA       ASP  58  14.157  -0.571   7.418
  335   1HB   ASP  58          1HB       ASP  58  16.813  -1.196   7.271
  336   2HB   ASP  58          2HB       ASP  58  16.678   0.047   6.031
  337    H    MET  59           H        MET  59  12.806   0.625   6.368
  338    HA   MET  59           HA       MET  59  13.165   1.319   3.570
  339   1HB   MET  59          1HB       MET  59  11.520  -0.847   4.364
  340   2HB   MET  59          2HB       MET  59  10.433   0.476   3.974
  341   1HG   MET  59          1HG       MET  59  10.638  -0.027   1.838
  342   2HG   MET  59          2HG       MET  59  12.347   0.392   1.926
  343   1HE   MET  59          1HE       MET  59  10.392  -3.709   1.946
  344   2HE   MET  59          2HE       MET  59  10.528  -3.028   3.567
  345   3HE   MET  59          3HE       MET  59   9.654  -2.150   2.311
  346    H    THR  60           H        THR  60  10.889   2.634   3.042
  347    HA   THR  60           HA       THR  60  10.101   4.093   5.464
  348    HB   THR  60           HB       THR  60  10.643   5.467   2.833
  349    HG1  THR  60           HG1      THR  60  12.315   4.765   4.920
  350   1HG2  THR  60          1HG2      THR  60   9.121   6.256   5.009
  351   2HG2  THR  60          2HG2      THR  60   9.791   7.314   3.766
  352   3HG2  THR  60          3HG2      THR  60  10.674   7.052   5.271
  353    H    LEU  61           H        LEU  61   7.955   3.885   5.748
  354    HA   LEU  61           HA       LEU  61   6.223   3.442   3.420
  355   1HB   LEU  61          1HB       LEU  61   6.168   2.399   5.935
  356   2HB   LEU  61          2HB       LEU  61   5.054   3.734   6.120
  357    HG   LEU  61           HG       LEU  61   4.779   1.526   4.081
  358   1HD1  LEU  61          1HD1      LEU  61   3.546   0.348   5.525
  359   2HD1  LEU  61          2HD1      LEU  61   4.396   1.284   6.756
  360   3HD1  LEU  61          3HD1      LEU  61   2.794   1.788   6.216
  361   1HD2  LEU  61          1HD2      LEU  61   2.587   2.407   3.646
  362   2HD2  LEU  61          2HD2      LEU  61   2.801   3.658   4.873
  363   3HD2  LEU  61          3HD2      LEU  61   3.777   3.688   3.403
  364    H    ILE  62           H        ILE  62   5.810   5.348   2.388
  365    HA   ILE  62           HA       ILE  62   4.872   7.504   4.156
  366    HB   ILE  62           HB       ILE  62   6.952   8.083   2.959
  367   1HG1  ILE  62          1HG1      ILE  62   5.578  10.108   1.664
  368   2HG1  ILE  62          2HG1      ILE  62   4.453   9.574   2.910
  369   1HG2  ILE  62          1HG2      ILE  62   6.236   8.744   0.416
  370   2HG2  ILE  62          2HG2      ILE  62   7.162   7.316   0.883
  371   3HG2  ILE  62          3HG2      ILE  62   5.419   7.196   0.645
  372   1HD1  ILE  62          1HD1      ILE  62   6.842   9.738   4.255
  373   2HD1  ILE  62          2HD1      ILE  62   6.900  11.108   3.145
  374   3HD1  ILE  62          3HD1      ILE  62   5.552  10.940   4.270
  375    H    LEU  63           H        LEU  63   2.920   8.274   3.899
  376    HA   LEU  63           HA       LEU  63   1.182   7.066   1.875
  377   1HB   LEU  63          1HB       LEU  63   0.886   7.795   4.597
  378   2HB   LEU  63          2HB       LEU  63  -0.185   8.836   3.681
  379    HG   LEU  63           HG       LEU  63  -0.188   5.822   3.590
  380   1HD1  LEU  63          1HD1      LEU  63  -1.893   5.798   5.111
  381   2HD1  LEU  63          2HD1      LEU  63  -0.912   7.129   5.730
  382   3HD1  LEU  63          3HD1      LEU  63  -2.361   7.466   4.780
  383   1HD2  LEU  63          1HD2      LEU  63  -1.342   6.118   1.714
  384   2HD2  LEU  63          2HD2      LEU  63  -2.629   6.773   2.729
  385   3HD2  LEU  63          3HD2      LEU  63  -1.458   7.858   1.967
  386    H    LEU  64           H        LEU  64   0.353   8.219   0.229
  387    HA   LEU  64           HA       LEU  64   0.886  11.112   0.175
  388   1HB   LEU  64          1HB       LEU  64   1.344   9.150  -2.076
  389   2HB   LEU  64          2HB       LEU  64   1.475  10.894  -2.216
  390    HG   LEU  64           HG       LEU  64   3.206  10.584  -0.269
  391   1HD1  LEU  64          1HD1      LEU  64   2.715   8.127  -0.147
  392   2HD1  LEU  64          2HD1      LEU  64   3.481   7.970  -1.728
  393   3HD1  LEU  64          3HD1      LEU  64   4.418   8.540  -0.347
  394   1HD2  LEU  64          1HD2      LEU  64   3.532  11.403  -2.663
  395   2HD2  LEU  64          2HD2      LEU  64   4.935  10.744  -1.820
  396   3HD2  LEU  64          3HD2      LEU  64   4.077   9.762  -3.009
  397    H    ARG  65           H        ARG  65  -0.435  12.316  -1.189
  398    HA   ARG  65           HA       ARG  65  -2.583  10.958  -2.590
  399   1HB   ARG  65          1HB       ARG  65  -4.187  12.797  -1.649
  400   2HB   ARG  65          2HB       ARG  65  -3.891  11.337  -0.719
  401   1HG   ARG  65          1HG       ARG  65  -2.273  12.539   0.660
  402   2HG   ARG  65          2HG       ARG  65  -2.562  14.006  -0.281
  403   1HD   ARG  65          1HD       ARG  65  -5.060  12.940   0.621
  404   2HD   ARG  65          2HD       ARG  65  -3.958  13.083   1.990
  405    HE   ARG  65           HE       ARG  65  -3.757  15.469   0.619
  406   1HH1  ARG  65          1HH1      ARG  65  -6.322  13.674   2.202
  407   2HH1  ARG  65          2HH1      ARG  65  -7.225  15.089   2.638
  408   1HH2  ARG  65          1HH2      ARG  65  -4.925  17.341   1.228
  409   2HH2  ARG  65          2HH2      ARG  65  -6.415  17.181   2.111
  410    H    ASN  66           H        ASN  66  -2.134  11.612  -4.542
  411    HA   ASN  66           HA       ASN  66  -2.078  14.498  -5.053
  412   1HB   ASN  66          1HB       ASN  66   0.136  14.189  -5.530
  413   2HB   ASN  66          2HB       ASN  66  -0.059  12.467  -5.832
  414   1HD2  ASN  66          1HD2      ASN  66  -0.031  11.791  -7.861
  415   2HD2  ASN  66          2HD2      ASN  66  -0.133  12.801  -9.263
  416    H    VAL  67           H        VAL  67  -3.334  15.124  -6.744
  417    HA   VAL  67           HA       VAL  67  -4.147  13.238  -8.742
  418    HB   VAL  67           HB       VAL  67  -5.639  12.559  -6.955
  419   1HG1  VAL  67          1HG1      VAL  67  -5.635  14.670  -5.702
  420   2HG1  VAL  67          2HG1      VAL  67  -6.667  15.395  -6.933
  421   3HG1  VAL  67          3HG1      VAL  67  -7.268  14.050  -5.961
  422   1HG2  VAL  67          1HG2      VAL  67  -7.040  12.138  -8.633
  423   2HG2  VAL  67          2HG2      VAL  67  -7.823  13.683  -8.293
  424   3HG2  VAL  67          3HG2      VAL  67  -6.537  13.591  -9.497
  425    H    GLY  68           H        GLY  68  -4.678  14.255 -10.593
  426   1HA   GLY  68          1HA       GLY  68  -5.862  16.261 -11.550
  427   2HA   GLY  68          2HA       GLY  68  -4.861  17.200 -10.450
  428    H    GLY  69           H        GLY  69  -2.421  16.222 -10.672
  429   1HA   GLY  69          1HA       GLY  69  -1.125  15.301 -12.736
  430   2HA   GLY  69          2HA       GLY  69  -1.743  16.772 -13.469
  431    H    ASN  70           H        ASN  70   0.385  15.439 -11.052
  432    HA   ASN  70           HA       ASN  70   2.199  17.648 -11.344
  433   1HB   ASN  70          1HB       ASN  70   0.849  18.745  -9.719
  434   2HB   ASN  70          2HB       ASN  70   0.675  17.274  -8.765
  435   1HD2  ASN  70          1HD2      ASN  70   1.785  17.314  -6.964
  436   2HD2  ASN  70          2HD2      ASN  70   3.322  18.079  -6.724
  437    H    GLY  71           H        GLY  71   1.417  15.175  -8.915
  438   1HA   GLY  71          1HA       GLY  71   3.086  13.169  -9.355
  439   2HA   GLY  71          2HA       GLY  71   4.224  14.395  -8.807
  440    H    TRP  72           H        TRP  72   3.252  11.807  -7.633
  441    HA   TRP  72           HA       TRP  72   1.498  12.087  -5.538
  442   1HB   TRP  72          1HB       TRP  72   4.001  10.410  -5.729
  443   2HB   TRP  72          2HB       TRP  72   2.831  10.248  -4.426
  444    HD1  TRP  72           HD1      TRP  72   3.703   8.551  -7.434
  445    HE1  TRP  72           HE1      TRP  72   1.719   7.269  -8.455
  446    HE3  TRP  72           HE3      TRP  72  -0.146  10.810  -4.895
  447    HZ2  TRP  72           HZ2      TRP  72  -1.088   7.208  -8.215
  448    HZ3  TRP  72           HZ3      TRP  72  -2.440  10.061  -5.348
  449    HH2  TRP  72           HH2      TRP  72  -2.902   8.302  -6.969
  450    H    GLY  73           H        GLY  73   1.429  13.367  -3.828
  451   1HA   GLY  73          1HA       GLY  73   3.913  14.612  -2.877
  452   2HA   GLY  73          2HA       GLY  73   2.289  15.221  -2.596
  453    H    GLU  74           H        GLU  74   4.809  14.040  -1.032
  454    HA   GLU  74           HA       GLU  74   3.653  11.916   0.521
  455   1HB   GLU  74          1HB       GLU  74   6.056  13.222   1.591
  456   2HB   GLU  74          2HB       GLU  74   5.766  11.527   1.228
  457   1HG   GLU  74          1HG       GLU  74   6.000  12.296  -1.245
  458   2HG   GLU  74          2HG       GLU  74   6.801  13.698  -0.540
  459    H    ILE  75           H        ILE  75   3.248  11.944   2.796
  460    HA   ILE  75           HA       ILE  75   3.313  14.444   4.218
  461    HB   ILE  75           HB       ILE  75   1.261  14.923   3.189
  462   1HG1  ILE  75          1HG1      ILE  75   0.314  13.619   5.728
  463   2HG1  ILE  75          2HG1      ILE  75   1.376  15.023   5.758
  464   1HG2  ILE  75          1HG2      ILE  75  -0.578  12.936   3.696
  465   2HG2  ILE  75          2HG2      ILE  75   0.205  13.266   2.149
  466   3HG2  ILE  75          3HG2      ILE  75   0.873  12.048   3.234
  467   1HD1  ILE  75          1HD1      ILE  75  -0.249  16.437   5.042
  468   2HD1  ILE  75          2HD1      ILE  75  -1.084  15.191   4.113
  469   3HD1  ILE  75          3HD1      ILE  75  -1.250  15.242   5.868
  470    H    LYS  76           H        LYS  76   1.862  11.150   4.348
  471    HA   LYS  76           HA       LYS  76   2.334  11.177   7.252
  472   1HB   LYS  76          1HB       LYS  76   0.034  10.662   6.263
  473   2HB   LYS  76          2HB       LYS  76   0.719   9.135   5.727
  474   1HG   LYS  76          1HG       LYS  76   1.240   9.632   8.536
  475   2HG   LYS  76          2HG       LYS  76  -0.484   9.641   8.161
  476   1HD   LYS  76          1HD       LYS  76  -0.046   7.465   6.899
  477   2HD   LYS  76          2HD       LYS  76   1.516   7.444   7.719
  478   1HE   LYS  76          1HE       LYS  76  -0.780   7.920   9.481
  479   2HE   LYS  76          2HE       LYS  76  -0.779   6.342   8.693
  480   1HZ   LYS  76          1HZ       LYS  76   1.802   6.721   9.569
  481   2HZ   LYS  76          2HZ       LYS  76   0.642   5.702  10.259
  482   3HZ   LYS  76          3HZ       LYS  76   0.835   7.281  10.839
  483    H    ARG  77           H        ARG  77   3.361   9.421   8.301
  484    HA   ARG  77           HA       ARG  77   4.966   7.695   6.531
  485   1HB   ARG  77          1HB       ARG  77   5.995   9.712   8.059
  486   2HB   ARG  77          2HB       ARG  77   6.140   8.343   9.151
  487   1HG   ARG  77          1HG       ARG  77   7.292   7.115   7.270
  488   2HG   ARG  77          2HG       ARG  77   7.345   8.664   6.421
  489   1HD   ARG  77          1HD       ARG  77   8.297   8.718   9.206
  490   2HD   ARG  77          2HD       ARG  77   9.283   7.773   8.089
  491    HE   ARG  77           HE       ARG  77   8.676  10.648   7.817
  492   1HH1  ARG  77          1HH1      ARG  77  10.702   7.874   7.144
  493   2HH1  ARG  77          2HH1      ARG  77  11.890   8.790   6.265
  494   1HH2  ARG  77          1HH2      ARG  77  10.231  11.859   6.701
  495   2HH2  ARG  77          2HH2      ARG  77  11.622  11.068   6.014
  496    H    ASN  78           H        ASN  78   5.542   5.627   7.360
  497    HA   ASN  78           HA       ASN  78   4.488   4.746   9.920
  498   1HB   ASN  78          1HB       ASN  78   2.986   4.298   7.561
  499   2HB   ASN  78          2HB       ASN  78   3.736   2.760   7.977
  500   1HD2  ASN  78          1HD2      ASN  78   1.968   1.706   8.635
  501   2HD2  ASN  78          2HD2      ASN  78   1.032   2.143  10.020
  502    H    ASP  79           H        ASP  79   5.160   2.410  10.324
  503    HA   ASP  79           HA       ASP  79   7.767   1.931   9.045
  504   1HB   ASP  79          1HB       ASP  79   8.354   0.693  11.132
  505   2HB   ASP  79          2HB       ASP  79   8.131   2.426  11.351
  506    H    ILE  80           H        ILE  80   8.323  -0.551   9.975
  507    HA   ILE  80           HA       ILE  80   6.753  -2.152   8.176
  508    HB   ILE  80           HB       ILE  80   9.374  -2.193   8.777
  509   1HG1  ILE  80          1HG1      ILE  80   8.934  -4.803   7.973
  510   2HG1  ILE  80          2HG1      ILE  80   7.484  -3.958   7.437
  511   1HG2  ILE  80          1HG2      ILE  80   8.931  -4.781   9.960
  512   2HG2  ILE  80          2HG2      ILE  80   9.985  -3.466  10.481
  513   3HG2  ILE  80          3HG2      ILE  80   8.296  -3.494  10.987
  514   1HD1  ILE  80          1HD1      ILE  80   8.870  -2.341   6.250
  515   2HD1  ILE  80          2HD1      ILE  80  10.318  -3.197   6.779
  516   3HD1  ILE  80          3HD1      ILE  80   9.169  -3.989   5.699
  517    H    ASP  81           H        ASP  81   5.961  -4.270   8.764
  518    HA   ASP  81           HA       ASP  81   4.325  -5.438   9.767
  519   1HB   ASP  81          1HB       ASP  81   6.375  -5.059  11.817
  520   2HB   ASP  81          2HB       ASP  81   4.770  -5.356  12.485
  521    H    LYS  82           H        LYS  82   3.748  -2.876   9.118
  522    HA   LYS  82           HA       LYS  82   1.753  -2.182  11.180
  523   1HB   LYS  82          1HB       LYS  82   3.949  -0.507  10.202
  524   2HB   LYS  82          2HB       LYS  82   2.377   0.274  10.106
  525   1HG   LYS  82          1HG       LYS  82   2.534  -0.970  12.628
  526   2HG   LYS  82          2HG       LYS  82   4.050  -0.111  12.374
  527   1HD   LYS  82          1HD       LYS  82   2.735   1.913  11.790
  528   2HD   LYS  82          2HD       LYS  82   1.265   1.030  12.203
  529   1HE   LYS  82          1HE       LYS  82   1.788   2.276  14.124
  530   2HE   LYS  82          2HE       LYS  82   2.323   0.635  14.483
  531   1HZ   LYS  82          1HZ       LYS  82   3.830   2.983  14.550
  532   2HZ   LYS  82          2HZ       LYS  82   4.443   2.040  13.276
  533   3HZ   LYS  82          3HZ       LYS  82   4.355   1.397  14.842
  534    HA   PRO  83           HA       PRO  83  -0.851  -2.188   7.654
  535   1HB   PRO  83          1HB       PRO  83  -3.164  -1.776   8.943
  536   2HB   PRO  83          2HB       PRO  83  -2.205  -3.239   9.179
  537   1HG   PRO  83          1HG       PRO  83  -2.601  -0.942  10.987
  538   2HG   PRO  83          2HG       PRO  83  -2.173  -2.615  11.371
  539   1HD   PRO  83          1HD       PRO  83  -0.433  -0.344  11.147
  540   2HD   PRO  83          2HD       PRO  83   0.001  -2.021  11.528
  541    H    LEU  84           H        LEU  84  -0.924  -0.667   6.109
  542    HA   LEU  84           HA       LEU  84  -2.521   1.750   6.674
  543   1HB   LEU  84          1HB       LEU  84   0.171   1.583   5.396
  544   2HB   LEU  84          2HB       LEU  84  -0.955   2.803   4.838
  545    HG   LEU  84           HG       LEU  84   0.371   2.553   7.514
  546   1HD1  LEU  84          1HD1      LEU  84   1.588   3.870   5.998
  547   2HD1  LEU  84          2HD1      LEU  84   0.135   4.674   5.404
  548   3HD1  LEU  84          3HD1      LEU  84   0.727   5.012   7.030
  549   1HD2  LEU  84          1HD2      LEU  84  -1.804   2.918   8.259
  550   2HD2  LEU  84          2HD2      LEU  84  -1.139   4.547   8.129
  551   3HD2  LEU  84          3HD2      LEU  84  -2.213   3.929   6.874
  552    H    LYS  85           H        LYS  85  -4.300   0.441   5.631
  553    HA   LYS  85           HA       LYS  85  -4.355   1.200   2.833
  554   1HB   LYS  85          1HB       LYS  85  -4.346  -1.478   3.521
  555   2HB   LYS  85          2HB       LYS  85  -6.028  -1.105   3.187
  556   1HG   LYS  85          1HG       LYS  85  -4.162  -0.084   1.190
  557   2HG   LYS  85          2HG       LYS  85  -4.185  -1.842   1.356
  558   1HD   LYS  85          1HD       LYS  85  -5.958  -1.792   0.000
  559   2HD   LYS  85          2HD       LYS  85  -6.850  -1.189   1.397
  560   1HE   LYS  85          1HE       LYS  85  -7.321   0.322  -0.346
  561   2HE   LYS  85          2HE       LYS  85  -6.129   1.130   0.671
  562   1HZ   LYS  85          1HZ       LYS  85  -5.128   1.479  -1.293
  563   2HZ   LYS  85          2HZ       LYS  85  -5.892   0.173  -2.059
  564   3HZ   LYS  85          3HZ       LYS  85  -4.538  -0.095  -1.080
  565    H    TYR  86           H        TYR  86  -5.803   2.858   2.900
  566    HA   TYR  86           HA       TYR  86  -8.013   2.912   4.679
  567   1HB   TYR  86          1HB       TYR  86  -6.865   4.884   3.469
  568   2HB   TYR  86          2HB       TYR  86  -7.882   4.472   2.103
  569    HD1  TYR  86           HD1      TYR  86  -8.059   7.128   3.044
  570    HD2  TYR  86           HD2      TYR  86 -10.029   3.690   4.593
  571    HE1  TYR  86           HE1      TYR  86  -9.844   8.560   3.936
  572    HE2  TYR  86           HE2      TYR  86 -11.818   5.116   5.493
  573    HH   TYR  86           HH       TYR  86 -11.936   7.687   6.238
  574    H    GLU  87           H        GLU  87  -9.948   1.999   4.513
  575    HA   GLU  87           HA       GLU  87 -10.598   0.066   2.627
  576   1HB   GLU  87          1HB       GLU  87 -11.609   0.789   5.015
  577   2HB   GLU  87          2HB       GLU  87 -12.841   1.473   3.963
  578   1HG   GLU  87          1HG       GLU  87 -12.863  -0.861   2.865
  579   2HG   GLU  87          2HG       GLU  87 -12.058  -1.381   4.345
  580    H    ASP  88           H        ASP  88 -12.656   2.933   3.021
  581    HA   ASP  88           HA       ASP  88 -12.840   3.111   0.094
  582   1HB   ASP  88          1HB       ASP  88 -14.946   2.906   1.526
  583   2HB   ASP  88          2HB       ASP  88 -14.608   4.544   2.074
  584    H    TYR  89           H        TYR  89 -11.622   4.576  -0.831
  585    HA   TYR  89           HA       TYR  89 -10.078   6.421   0.672
  586   1HB   TYR  89          1HB       TYR  89 -10.448   5.849  -2.244
  587   2HB   TYR  89          2HB       TYR  89  -9.547   7.273  -1.741
  588    HD1  TYR  89           HD1      TYR  89  -8.620   5.500   0.855
  589    HD2  TYR  89           HD2      TYR  89  -8.323   5.170  -3.379
  590    HE1  TYR  89           HE1      TYR  89  -6.607   4.134   1.117
  591    HE2  TYR  89           HE2      TYR  89  -6.302   3.796  -3.130
  592    HH   TYR  89           HH       TYR  89  -4.414   3.702  -0.971
  593    H    TYR  90           H        TYR  90 -13.117   6.666  -1.013
  594    HA   TYR  90           HA       TYR  90 -12.910   9.503  -1.447
  595   1HB   TYR  90          1HB       TYR  90 -14.828   7.365  -2.128
  596   2HB   TYR  90          2HB       TYR  90 -15.508   8.980  -1.951
  597    HD1  TYR  90           HD1      TYR  90 -12.750   7.155  -3.667
  598    HD2  TYR  90           HD2      TYR  90 -15.415  10.471  -3.743
  599    HE1  TYR  90           HE1      TYR  90 -11.978   7.713  -5.933
  600    HE2  TYR  90           HE2      TYR  90 -14.650  11.041  -6.010
  601    HH   TYR  90           HH       TYR  90 -12.995   8.970  -7.962
  602    H    THR  91           H        THR  91 -13.619   7.703   1.251
  603    HA   THR  91           HA       THR  91 -15.711   9.255   2.382
  604    HB   THR  91           HB       THR  91 -13.680   7.958   4.142
  605    HG1  THR  91           HG1      THR  91 -13.788   6.238   2.889
  606   1HG2  THR  91          1HG2      THR  91 -16.268   7.051   4.682
  607   2HG2  THR  91          2HG2      THR  91 -16.455   8.753   4.263
  608   3HG2  THR  91          3HG2      THR  91 -15.368   8.282   5.568
  609    H    SER  92           H        SER  92 -12.277   9.654   2.103
  610    HA   SER  92           HA       SER  92 -12.440  12.374   2.970
  611   1HB   SER  92          1HB       SER  92 -11.192  10.296   4.737
  612   2HB   SER  92          2HB       SER  92 -10.490  11.912   4.677
  613    HG   SER  92           HG       SER  92 -13.256  11.492   5.117
  614    H    GLY  93           H        GLY  93 -11.835  12.062   0.612
  615   1HA   GLY  93          1HA       GLY  93  -9.584  13.015  -0.248
  616   2HA   GLY  93          2HA       GLY  93  -8.985  11.439   0.251
  617    H    LEU  94           H        LEU  94  -8.438  11.616  -2.173
  618    HA   LEU  94           HA       LEU  94 -10.680  10.528  -3.742
  619   1HB   LEU  94          1HB       LEU  94  -8.181  11.982  -4.611
  620   2HB   LEU  94          2HB       LEU  94  -9.206  11.111  -5.731
  621    HG   LEU  94           HG       LEU  94 -10.060  13.194  -6.032
  622   1HD1  LEU  94          1HD1      LEU  94 -11.651  13.012  -3.562
  623   2HD1  LEU  94          2HD1      LEU  94 -12.165  13.182  -5.241
  624   3HD1  LEU  94          3HD1      LEU  94 -11.703  11.599  -4.615
  625   1HD2  LEU  94          1HD2      LEU  94  -9.399  13.796  -3.156
  626   2HD2  LEU  94          2HD2      LEU  94  -8.498  14.318  -4.580
  627   3HD2  LEU  94          3HD2      LEU  94 -10.124  14.934  -4.291
  628    H    SER  95           H        SER  95  -7.148  10.376  -3.920
  629    HA   SER  95           HA       SER  95  -7.309   7.454  -3.725
  630   1HB   SER  95          1HB       SER  95  -5.101   8.436  -5.374
  631   2HB   SER  95          2HB       SER  95  -6.269   7.159  -5.712
  632    HG   SER  95           HG       SER  95  -6.892   8.613  -7.146
  633    H    TRP  96           H        TRP  96  -6.208   6.815  -1.994
  634    HA   TRP  96           HA       TRP  96  -3.970   8.443  -1.025
  635   1HB   TRP  96          1HB       TRP  96  -5.607   6.261   0.280
  636   2HB   TRP  96          2HB       TRP  96  -4.139   6.908   0.999
  637    HD1  TRP  96           HD1      TRP  96  -7.752   7.930   0.156
  638    HE1  TRP  96           HE1      TRP  96  -8.389   9.943   1.638
  639    HE3  TRP  96           HE3      TRP  96  -3.199   8.866   2.277
  640    HZ2  TRP  96           HZ2      TRP  96  -7.126  11.674   3.469
  641    HZ3  TRP  96           HZ3      TRP  96  -2.996  10.712   3.883
  642    HH2  TRP  96           HH2      TRP  96  -4.923  12.092   4.464
  643    H    ILE  97           H        ILE  97  -2.063   7.849  -1.807
  644    HA   ILE  97           HA       ILE  97  -1.678   5.018  -2.499
  645    HB   ILE  97           HB       ILE  97  -1.408   7.047  -4.199
  646   1HG1  ILE  97          1HG1      ILE  97   0.569   5.521  -5.193
  647   2HG1  ILE  97          2HG1      ILE  97  -0.031   4.429  -3.947
  648   1HG2  ILE  97          1HG2      ILE  97   1.337   6.822  -2.976
  649   2HG2  ILE  97          2HG2      ILE  97   0.948   7.673  -4.471
  650   3HG2  ILE  97          3HG2      ILE  97   0.283   8.237  -2.937
  651   1HD1  ILE  97          1HD1      ILE  97  -1.721   5.679  -6.102
  652   2HD1  ILE  97          2HD1      ILE  97  -1.056   4.046  -6.150
  653   3HD1  ILE  97          3HD1      ILE  97  -2.238   4.479  -4.916
  654    H    TRP  98           H        TRP  98   0.344   4.032  -2.025
  655    HA   TRP  98           HA       TRP  98   1.810   5.317   0.162
  656   1HB   TRP  98          1HB       TRP  98   2.364   2.479  -0.302
  657   2HB   TRP  98          2HB       TRP  98   1.933   3.303   1.192
  658    HD1  TRP  98           HD1      TRP  98   0.438   1.163  -1.569
  659    HE1  TRP  98           HE1      TRP  98  -2.011   0.653  -1.015
  660    HE3  TRP  98           HE3      TRP  98  -0.128   4.283   2.426
  661    HZ2  TRP  98           HZ2      TRP  98  -3.930   1.474   0.909
  662    HZ3  TRP  98           HZ3      TRP  98  -2.301   4.349   3.564
  663    HH2  TRP  98           HH2      TRP  98  -4.149   2.939   2.824
  664    H    LYS  99           H        LYS  99   4.087   5.432  -0.025
  665    HA   LYS  99           HA       LYS  99   5.190   4.438  -2.565
  666   1HB   LYS  99          1HB       LYS  99   5.022   6.812  -2.851
  667   2HB   LYS  99          2HB       LYS  99   5.717   7.110  -1.265
  668   1HG   LYS  99          1HG       LYS  99   7.787   7.066  -2.070
  669   2HG   LYS  99          2HG       LYS  99   7.497   5.550  -2.926
  670   1HD   LYS  99          1HD       LYS  99   7.860   6.905  -4.720
  671   2HD   LYS  99          2HD       LYS  99   6.126   7.168  -4.528
  672   1HE   LYS  99          1HE       LYS  99   6.603   9.346  -4.428
  673   2HE   LYS  99          2HE       LYS  99   7.253   9.025  -2.823
  674   1HZ   LYS  99          1HZ       LYS  99   8.843  10.220  -4.183
  675   2HZ   LYS  99          2HZ       LYS  99   8.810   8.999  -5.361
  676   3HZ   LYS  99          3HZ       LYS  99   9.434   8.673  -3.813
  677    H    ILE 100           H        ILE 100   6.762   3.076  -2.300
  678    HA   ILE 100           HA       ILE 100   7.955   2.709   0.317
  679    HB   ILE 100           HB       ILE 100   7.196   0.910  -1.580
  680   1HG1  ILE 100          1HG1      ILE 100   9.519   0.074   0.081
  681   2HG1  ILE 100          2HG1      ILE 100   8.119   0.732   0.921
  682   1HG2  ILE 100          1HG2      ILE 100   9.666   1.848  -2.539
  683   2HG2  ILE 100          2HG2      ILE 100   9.934   0.216  -1.922
  684   3HG2  ILE 100          3HG2      ILE 100   8.694   0.504  -3.144
  685   1HD1  ILE 100          1HD1      ILE 100   7.188  -1.284   0.829
  686   2HD1  ILE 100          2HD1      ILE 100   7.106  -1.128  -0.925
  687   3HD1  ILE 100          3HD1      ILE 100   8.508  -1.886  -0.172
  688    H    LYS 101           H        LYS 101   9.893   3.462   0.873
  689    HA   LYS 101           HA       LYS 101  11.829   4.070  -1.263
  690   1HB   LYS 101          1HB       LYS 101  12.087   5.480   1.342
  691   2HB   LYS 101          2HB       LYS 101  12.494   6.031  -0.274
  692   1HG   LYS 101          1HG       LYS 101  10.216   6.562  -0.741
  693   2HG   LYS 101          2HG       LYS 101   9.678   5.796   0.756
  694   1HD   LYS 101          1HD       LYS 101  10.503   7.500   2.080
  695   2HD   LYS 101          2HD       LYS 101  11.668   8.020   0.861
  696   1HE   LYS 101          1HE       LYS 101   8.819   8.227   0.126
  697   2HE   LYS 101          2HE       LYS 101   9.381   9.326   1.385
  698   1HZ   LYS 101          1HZ       LYS 101  10.451   9.061  -1.373
  699   2HZ   LYS 101          2HZ       LYS 101  11.189   9.991  -0.159
  700   3HZ   LYS 101          3HZ       LYS 101   9.632  10.393  -0.706
  701    H    ASN 102           H        ASN 102  13.242   2.402  -1.178
  702    HA   ASN 102           HA       ASN 102  13.857   1.341   1.493
  703   1HB   ASN 102          1HB       ASN 102  14.670  -0.677   0.386
  704   2HB   ASN 102          2HB       ASN 102  13.021  -0.321  -0.098
  705   1HD2  ASN 102          1HD2      ASN 102  15.106  -1.921  -1.390
  706   2HD2  ASN 102          2HD2      ASN 102  15.269  -1.253  -2.985
  707    H    ASN 103           H        ASN 103  15.730   1.670   2.413
  708    HA   ASN 103           HA       ASN 103  17.836   3.016   0.959
  709   1HB   ASN 103          1HB       ASN 103  19.040   2.898   3.176
  710   2HB   ASN 103          2HB       ASN 103  17.534   3.801   3.191
  711   1HD2  ASN 103          1HD2      ASN 103  16.115   3.326   4.706
  712   2HD2  ASN 103          2HD2      ASN 103  16.166   1.918   5.721
  713    H    SER 104           H        SER 104  16.870  -0.113   1.467
  714    HA   SER 104           HA       SER 104  19.303  -1.515   1.535
  715   1HB   SER 104          1HB       SER 104  16.673  -2.235   1.574
  716   2HB   SER 104          2HB       SER 104  17.115  -2.690  -0.071
  717    HG   SER 104           HG       SER 104  17.427  -4.312   1.640
  718    H    SER 105           H        SER 105  20.899  -1.203   0.122
  719    HA   SER 105           HA       SER 105  20.553  -0.223  -2.506
  720   1HB   SER 105          1HB       SER 105  23.034  -1.668  -2.122
  721   2HB   SER 105          2HB       SER 105  22.773   0.063  -2.338
  722    HG   SER 105           HG       SER 105  23.695  -0.807  -0.232
  723    H    GLU 106           H        GLU 106  20.371  -3.354  -1.122
  724    HA   GLU 106           HA       GLU 106  20.473  -4.637  -3.756
  725   1HB   GLU 106          1HB       GLU 106  21.193  -5.462  -1.107
  726   2HB   GLU 106          2HB       GLU 106  19.943  -6.535  -1.721
  727   1HG   GLU 106          1HG       GLU 106  22.417  -7.115  -2.140
  728   2HG   GLU 106          2HG       GLU 106  21.259  -7.296  -3.456
  729    H    THR 107           H        THR 107  18.786  -6.433  -4.024
  730    HA   THR 107           HA       THR 107  16.237  -5.291  -4.160
  731    HB   THR 107           HB       THR 107  16.065  -8.160  -4.120
  732    HG1  THR 107           HG1      THR 107  18.065  -7.212  -5.911
  733   1HG2  THR 107          1HG2      THR 107  16.187  -6.441  -6.580
  734   2HG2  THR 107          2HG2      THR 107  14.812  -6.355  -5.478
  735   3HG2  THR 107          3HG2      THR 107  15.207  -7.877  -6.275
  736    H    SER 108           H        SER 108  14.594  -5.161  -2.750
  737    HA   SER 108           HA       SER 108  14.928  -6.546  -0.171
  738   1HB   SER 108          1HB       SER 108  13.160  -4.180  -0.300
  739   2HB   SER 108          2HB       SER 108  14.350  -4.635   0.918
  740    HG   SER 108           HG       SER 108  15.792  -4.120  -1.148
  741    H    ASN 109           H        ASN 109  13.538  -8.141   0.171
  742    HA   ASN 109           HA       ASN 109  11.089  -8.307  -1.381
  743   1HB   ASN 109          1HB       ASN 109  12.796 -10.234  -0.736
  744   2HB   ASN 109          2HB       ASN 109  11.779 -10.333   0.697
  745   1HD2  ASN 109          1HD2      ASN 109  10.674 -12.140   0.390
  746   2HD2  ASN 109          2HD2      ASN 109   9.681 -12.479  -0.981
  747    H    TYR 110           H        TYR 110   9.137  -7.755  -0.672
  748    HA   TYR 110           HA       TYR 110   8.800  -7.309   2.223
  749   1HB   TYR 110          1HB       TYR 110   7.343  -5.435   1.739
  750   2HB   TYR 110          2HB       TYR 110   8.897  -5.185   0.952
  751    HD1  TYR 110           HD1      TYR 110   8.977  -4.695  -1.381
  752    HD2  TYR 110           HD2      TYR 110   5.417  -6.332   0.295
  753    HE1  TYR 110           HE1      TYR 110   7.810  -4.347  -3.512
  754    HE2  TYR 110           HE2      TYR 110   4.252  -5.979  -1.833
  755    HH   TYR 110           HH       TYR 110   5.940  -4.851  -4.706
  756    H    SER 111           H        SER 111   6.578  -7.490   3.024
  757    HA   SER 111           HA       SER 111   4.785  -9.042   1.280
  758   1HB   SER 111          1HB       SER 111   4.180  -9.845   3.883
  759   2HB   SER 111          2HB       SER 111   5.046 -10.788   2.671
  760    HG   SER 111           HG       SER 111   6.473 -10.735   4.282
  761    H    LEU 112           H        LEU 112   3.452  -7.365   0.778
  762    HA   LEU 112           HA       LEU 112   2.319  -5.732   2.955
  763   1HB   LEU 112          1HB       LEU 112   3.110  -4.272   1.371
  764   2HB   LEU 112          2HB       LEU 112   2.719  -5.334   0.034
  765    HG   LEU 112           HG       LEU 112   0.289  -4.791   0.435
  766   1HD1  LEU 112          1HD1      LEU 112  -0.392  -3.133   1.874
  767   2HD1  LEU 112          2HD1      LEU 112   0.883  -3.907   2.812
  768   3HD1  LEU 112          3HD1      LEU 112   1.208  -2.396   1.961
  769   1HD2  LEU 112          1HD2      LEU 112   0.386  -3.024  -1.000
  770   2HD2  LEU 112          2HD2      LEU 112   1.700  -2.239  -0.120
  771   3HD2  LEU 112          3HD2      LEU 112   2.037  -3.626  -1.156
  772    H    ASP 113           H        ASP 113   0.469  -6.850   3.776
  773    HA   ASP 113           HA       ASP 113  -1.385  -7.786   1.689
  774   1HB   ASP 113          1HB       ASP 113  -2.689  -8.881   3.479
  775   2HB   ASP 113          2HB       ASP 113  -1.050  -9.503   3.335
  776    H    ALA 114           H        ALA 114  -2.876  -6.598   1.042
  777    HA   ALA 114           HA       ALA 114  -4.373  -4.989   3.007
  778   1HB   ALA 114          1HB       ALA 114  -5.304  -3.751   1.137
  779   2HB   ALA 114          2HB       ALA 114  -3.544  -3.729   1.014
  780   3HB   ALA 114          3HB       ALA 114  -4.490  -4.807  -0.017
  781    H    THR 115           H        THR 115  -6.899  -5.087   2.153
  782    HA   THR 115           HA       THR 115  -7.477  -7.930   2.212
  783    HB   THR 115           HB       THR 115  -9.424  -5.616   2.215
  784    HG1  THR 115           HG1      THR 115  -8.001  -6.957   4.262
  785   1HG2  THR 115          1HG2      THR 115  -9.693  -8.560   2.412
  786   2HG2  THR 115          2HG2      THR 115 -10.814  -7.359   1.772
  787   3HG2  THR 115          3HG2      THR 115 -10.680  -7.598   3.515
  788    H    VAL 116           H        VAL 116  -8.037  -9.100   0.536
  789    HA   VAL 116           HA       VAL 116  -7.909  -7.853  -2.068
  790    HB   VAL 116           HB       VAL 116  -6.582  -9.880  -1.560
  791   1HG1  VAL 116          1HG1      VAL 116  -7.464 -11.642  -0.565
  792   2HG1  VAL 116          2HG1      VAL 116  -9.046 -10.860  -0.580
  793   3HG1  VAL 116          3HG1      VAL 116  -8.557 -11.884  -1.930
  794   1HG2  VAL 116          1HG2      VAL 116  -7.866  -9.239  -3.883
  795   2HG2  VAL 116          2HG2      VAL 116  -6.612 -10.468  -3.714
  796   3HG2  VAL 116          3HG2      VAL 116  -8.315 -10.929  -3.664
  797    H    HIS 117           H        HIS 117  -9.451  -7.869  -3.601
  798    HA   HIS 117           HA       HIS 117 -11.908  -9.351  -3.314
  799   1HB   HIS 117          1HB       HIS 117 -12.528  -7.406  -1.995
  800   2HB   HIS 117          2HB       HIS 117 -11.902  -6.318  -3.225
  801    HD1  HIS 117           HD1      HIS 117 -14.973  -7.948  -2.116
  802    HD2  HIS 117           HD2      HIS 117 -13.519  -6.365  -5.685
  803    HE1  HIS 117           HE1      HIS 117 -16.987  -7.592  -3.578
  804    HE2  HIS 117           HE2      HIS 117 -16.065  -6.835  -5.797
  805    H    ASP 118           H        ASP 118 -10.150  -6.787  -4.984
  806    HA   ASP 118           HA       ASP 118 -11.222  -7.789  -7.529
  807   1HB   ASP 118          1HB       ASP 118 -11.771  -5.471  -7.215
  808   2HB   ASP 118          2HB       ASP 118 -10.113  -5.083  -6.765
  809    H    ASP 119           H        ASP 119  -9.895  -9.074  -8.567
  810    HA   ASP 119           HA       ASP 119  -6.995  -8.739  -8.227
  811   1HB   ASP 119          1HB       ASP 119  -8.478 -10.994  -8.032
  812   2HB   ASP 119          2HB       ASP 119  -8.065 -11.051  -9.741
  813    H    LYS 120           H        LYS 120  -8.492  -6.916  -9.801
  814    HA   LYS 120           HA       LYS 120  -7.738  -7.629 -12.550
  815   1HB   LYS 120          1HB       LYS 120 -10.134  -7.085 -12.099
  816   2HB   LYS 120          2HB       LYS 120  -9.637  -5.472 -11.610
  817   1HG   LYS 120          1HG       LYS 120  -8.522  -5.524 -14.027
  818   2HG   LYS 120          2HG       LYS 120  -9.835  -6.668 -14.304
  819   1HD   LYS 120          1HD       LYS 120 -11.378  -5.051 -14.297
  820   2HD   LYS 120          2HD       LYS 120 -10.692  -4.296 -12.857
  821   1HE   LYS 120          1HE       LYS 120  -9.080  -3.110 -14.151
  822   2HE   LYS 120          2HE       LYS 120  -9.502  -4.012 -15.605
  823   1HZ   LYS 120          1HZ       LYS 120 -10.493  -1.594 -14.940
  824   2HZ   LYS 120          2HZ       LYS 120 -11.727  -2.627 -14.407
  825   3HZ   LYS 120          3HZ       LYS 120 -11.220  -2.676 -16.024
  826    H    GLU 121           H        GLU 121  -7.245  -5.385  -9.952
  827    HA   GLU 121           HA       GLU 121  -5.951  -3.380 -11.518
  828   1HB   GLU 121          1HB       GLU 121  -6.609  -3.792  -8.700
  829   2HB   GLU 121          2HB       GLU 121  -5.067  -2.982  -8.946
  830   1HG   GLU 121          1HG       GLU 121  -7.746  -2.111 -10.001
  831   2HG   GLU 121          2HG       GLU 121  -6.830  -1.365  -8.695
  832    H    ASP 122           H        ASP 122  -3.764  -2.789 -11.461
  833    HA   ASP 122           HA       ASP 122  -1.875  -4.918 -10.726
  834   1HB   ASP 122          1HB       ASP 122  -1.399  -5.416 -12.860
  835   2HB   ASP 122          2HB       ASP 122  -2.696  -4.349 -13.370
  836    H    SER 123           H        SER 123  -2.786  -1.953 -10.151
  837    HA   SER 123           HA       SER 123  -0.939  -0.061 -10.756
  838   1HB   SER 123          1HB       SER 123  -1.580   0.532  -8.122
  839   2HB   SER 123          2HB       SER 123  -2.512   0.995  -9.549
  840    HG   SER 123           HG       SER 123  -2.939  -1.106  -7.733
  841    H    ASP 124           H        ASP 124  -0.848  -1.734  -7.609
  842    HA   ASP 124           HA       ASP 124   1.920  -0.940  -7.267
  843   1HB   ASP 124          1HB       ASP 124   1.193  -2.614  -5.133
  844   2HB   ASP 124          2HB       ASP 124   1.251  -0.858  -5.123
  845    H    VAL 125           H        VAL 125   3.665  -2.262  -7.463
  846    HA   VAL 125           HA       VAL 125   3.502  -5.082  -7.251
  847    HB   VAL 125           HB       VAL 125   2.541  -5.186  -9.384
  848   1HG1  VAL 125          1HG1      VAL 125   2.946  -2.869 -10.069
  849   2HG1  VAL 125          2HG1      VAL 125   4.619  -3.282 -10.440
  850   3HG1  VAL 125          3HG1      VAL 125   3.305  -4.019 -11.356
  851   1HG2  VAL 125          1HG2      VAL 125   5.477  -5.734  -9.439
  852   2HG2  VAL 125          2HG2      VAL 125   4.126  -6.866  -9.369
  853   3HG2  VAL 125          3HG2      VAL 125   4.489  -6.017 -10.872
  854    H    LEU 126           H        LEU 126   5.591  -3.041  -9.346
  855    HA   LEU 126           HA       LEU 126   7.813  -3.523  -7.524
  856   1HB   LEU 126          1HB       LEU 126   7.373  -5.154  -9.760
  857   2HB   LEU 126          2HB       LEU 126   8.664  -4.063 -10.227
  858    HG   LEU 126           HG       LEU 126   9.215  -5.064  -7.607
  859   1HD1  LEU 126          1HD1      LEU 126   8.645  -7.204  -7.647
  860   2HD1  LEU 126          2HD1      LEU 126   7.785  -6.925  -9.160
  861   3HD1  LEU 126          3HD1      LEU 126   9.476  -7.425  -9.187
  862   1HD2  LEU 126          1HD2      LEU 126  10.525  -5.506 -10.288
  863   2HD2  LEU 126          2HD2      LEU 126  10.875  -4.201  -9.153
  864   3HD2  LEU 126          3HD2      LEU 126  11.249  -5.868  -8.720
  865    H    THR 127           H        THR 127   7.394  -2.436 -10.906
  866    HA   THR 127           HA       THR 127   8.765   0.054 -10.120
  867    HB   THR 127           HB       THR 127   8.741  -1.122 -12.901
  868    HG1  THR 127           HG1      THR 127  10.848  -1.263 -10.983
  869   1HG2  THR 127          1HG2      THR 127   9.202   1.332 -12.609
  870   2HG2  THR 127          2HG2      THR 127  10.518   0.420 -13.347
  871   3HG2  THR 127          3HG2      THR 127  10.613   0.886 -11.649
  872    H    LYS 128           H        LYS 128   6.961   1.242  -9.650
  873    HA   LYS 128           HA       LYS 128   5.452   2.182 -11.947
  874   1HB   LYS 128          1HB       LYS 128   4.348   0.395  -9.985
  875   2HB   LYS 128          2HB       LYS 128   3.561   1.961  -9.848
  876   1HG   LYS 128          1HG       LYS 128   2.207   1.106 -11.422
  877   2HG   LYS 128          2HG       LYS 128   3.485   1.646 -12.515
  878   1HD   LYS 128          1HD       LYS 128   4.432  -0.539 -12.611
  879   2HD   LYS 128          2HD       LYS 128   3.400  -1.107 -11.298
  880   1HE   LYS 128          1HE       LYS 128   2.399  -0.181 -13.987
  881   2HE   LYS 128          2HE       LYS 128   2.665  -1.868 -13.546
  882   1HZ   LYS 128          1HZ       LYS 128   0.404  -1.498 -13.182
  883   2HZ   LYS 128          2HZ       LYS 128   0.659   0.020 -12.466
  884   3HZ   LYS 128          3HZ       LYS 128   1.085  -1.394 -11.632
  885    H    CYS 129           H        CYS 129   4.557   4.238 -11.633
  886    HA   CYS 129           HA       CYS 129   4.373   6.348 -10.822
  887   1HB   CYS 129          1HB       CYS 129   5.208   5.303  -8.116
  888   2HB   CYS 129          2HB       CYS 129   4.316   6.778  -8.467
  889    HA   PRO 130           HA       PRO 130   8.921   7.011 -11.093
  890   1HB   PRO 130          1HB       PRO 130   8.226   8.841 -13.250
  891   2HB   PRO 130          2HB       PRO 130   9.258   7.410 -13.304
  892   1HG   PRO 130          1HG       PRO 130   6.835   7.541 -14.531
  893   2HG   PRO 130          2HG       PRO 130   7.533   6.030 -13.919
  894   1HD   PRO 130          1HD       PRO 130   5.440   7.790 -12.695
  895   2HD   PRO 130          2HD       PRO 130   5.522   6.015 -12.766
  896    H    VAL 131           H        VAL 131   8.165   8.052  -9.008
  897    HA   VAL 131           HA       VAL 131   8.236  10.967  -9.314
  898    HB   VAL 131           HB       VAL 131   5.905  10.477  -8.925
  899   1HG1  VAL 131          1HG1      VAL 131   5.239   8.698  -7.791
  900   2HG1  VAL 131          2HG1      VAL 131   6.908   8.368  -7.328
  901   3HG1  VAL 131          3HG1      VAL 131   5.896   9.384  -6.304
  902   1HG2  VAL 131          1HG2      VAL 131   6.479  12.457  -7.843
  903   2HG2  VAL 131          2HG2      VAL 131   5.629  11.536  -6.603
  904   3HG2  VAL 131          3HG2      VAL 131   7.390  11.619  -6.585
  Start of MODEL   18
    1   1H    ARG  14          1H        ARG  14  -3.561 -16.019  -4.686
    2    HA   ARG  14           HA       ARG  14  -5.265 -14.281  -6.323
    3   1HB   ARG  14          1HB       ARG  14  -4.920 -16.902  -6.995
    4   2HB   ARG  14          2HB       ARG  14  -6.300 -17.013  -5.914
    5   1HG   ARG  14          1HG       ARG  14  -7.688 -15.957  -7.346
    6   2HG   ARG  14          2HG       ARG  14  -6.419 -14.909  -7.979
    7   1HD   ARG  14          1HD       ARG  14  -5.603 -16.600  -9.413
    8   2HD   ARG  14          2HD       ARG  14  -6.533 -17.853  -8.591
    9    HE   ARG  14           HE       ARG  14  -8.305 -15.930  -9.618
   10   1HH1  ARG  14          1HH1      ARG  14  -6.120 -18.416 -10.797
   11   2HH1  ARG  14          2HH1      ARG  14  -7.049 -18.727 -12.231
   12   1HH2  ARG  14          1HH2      ARG  14  -9.521 -16.342 -11.488
   13   2HH2  ARG  14          2HH2      ARG  14  -9.001 -17.555 -12.616
   14    H    ILE  15           H        ILE  15  -5.202 -13.205  -4.182
   15    HA   ILE  15           HA       ILE  15  -7.233 -14.357  -2.389
   16    HB   ILE  15           HB       ILE  15  -5.785 -12.741  -0.713
   17   1HG1  ILE  15          1HG1      ILE  15  -3.765 -14.327  -2.306
   18   2HG1  ILE  15          2HG1      ILE  15  -4.024 -12.599  -2.516
   19   1HG2  ILE  15          1HG2      ILE  15  -4.808 -15.462  -0.641
   20   2HG2  ILE  15          2HG2      ILE  15  -5.831 -14.598   0.509
   21   3HG2  ILE  15          3HG2      ILE  15  -6.552 -15.398  -0.889
   22   1HD1  ILE  15          1HD1      ILE  15  -3.648 -12.991   0.230
   23   2HD1  ILE  15          2HD1      ILE  15  -2.428 -13.971  -0.587
   24   3HD1  ILE  15          3HD1      ILE  15  -2.539 -12.243  -0.921
   25    HA   PRO  16           HA       PRO  16  -8.823 -10.266  -3.620
   26   1HB   PRO  16          1HB       PRO  16 -11.446 -11.449  -3.222
   27   2HB   PRO  16          2HB       PRO  16 -10.711 -10.865  -4.716
   28   1HG   PRO  16          1HG       PRO  16 -11.200 -13.496  -4.237
   29   2HG   PRO  16          2HG       PRO  16  -9.871 -12.929  -5.263
   30   1HD   PRO  16          1HD       PRO  16  -9.802 -13.834  -2.403
   31   2HD   PRO  16          2HD       PRO  16  -8.678 -14.204  -3.730
   32    H    ASN  17           H        ASN  17  -9.368 -12.225  -0.818
   33    HA   ASN  17           HA       ASN  17 -10.906 -10.242   0.597
   34   1HB   ASN  17          1HB       ASN  17 -10.741 -12.880   0.947
   35   2HB   ASN  17          2HB       ASN  17  -9.473 -12.401   2.072
   36   1HD2  ASN  17          1HD2      ASN  17 -10.136 -12.154   4.075
   37   2HD2  ASN  17          2HD2      ASN  17 -11.720 -11.640   4.565
   38    H    ILE  18           H        ILE  18  -7.648 -11.585   0.978
   39    HA   ILE  18           HA       ILE  18  -6.828  -9.062   2.241
   40    HB   ILE  18           HB       ILE  18  -4.713 -10.642   2.712
   41   1HG1  ILE  18          1HG1      ILE  18  -6.769 -12.671   3.326
   42   2HG1  ILE  18          2HG1      ILE  18  -6.388 -12.493   1.617
   43   1HG2  ILE  18          1HG2      ILE  18  -7.185 -10.709   4.431
   44   2HG2  ILE  18          2HG2      ILE  18  -5.513 -10.903   4.954
   45   3HG2  ILE  18          3HG2      ILE  18  -6.068  -9.348   4.337
   46   1HD1  ILE  18          1HD1      ILE  18  -5.084 -14.179   3.135
   47   2HD1  ILE  18          2HD1      ILE  18  -4.258 -13.267   1.872
   48   3HD1  ILE  18          3HD1      ILE  18  -4.148 -12.744   3.552
   49    H    ALA  19           H        ALA  19  -6.066  -7.761   0.678
   50    HA   ALA  19           HA       ALA  19  -4.856  -8.818  -1.701
   51   1HB   ALA  19          1HB       ALA  19  -6.066  -6.386  -0.935
   52   2HB   ALA  19          2HB       ALA  19  -4.420  -6.010  -1.440
   53   3HB   ALA  19          3HB       ALA  19  -5.505  -6.866  -2.536
   54    H    THR  20           H        THR  20  -3.102  -9.969  -0.708
   55    HA   THR  20           HA       THR  20  -0.983  -8.429   0.516
   56    HB   THR  20           HB       THR  20  -1.060 -11.347  -0.286
   57    HG1  THR  20           HG1      THR  20  -1.164 -10.304   2.357
   58   1HG2  THR  20          1HG2      THR  20   1.209 -10.047   0.024
   59   2HG2  THR  20          2HG2      THR  20   0.990 -11.653   0.720
   60   3HG2  THR  20          3HG2      THR  20   0.825 -10.222   1.736
   61    H    TYR  21           H        TYR  21  -0.061  -7.077  -0.885
   62    HA   TYR  21           HA       TYR  21   0.684  -7.921  -3.556
   63   1HB   TYR  21          1HB       TYR  21   1.395  -5.342  -2.153
   64   2HB   TYR  21          2HB       TYR  21   1.433  -5.657  -3.882
   65    HD1  TYR  21           HD1      TYR  21  -0.416  -4.219  -1.274
   66    HD2  TYR  21           HD2      TYR  21  -0.900  -6.366  -4.920
   67    HE1  TYR  21           HE1      TYR  21  -2.705  -3.345  -1.480
   68    HE2  TYR  21           HE2      TYR  21  -3.189  -5.494  -5.136
   69    HH   TYR  21           HH       TYR  21  -4.580  -3.358  -2.656
   70    H    THR  22           H        THR  22   2.180  -9.552  -3.205
   71    HA   THR  22           HA       THR  22   4.569  -8.951  -1.655
   72    HB   THR  22           HB       THR  22   4.669 -11.465  -3.088
   73    HG1  THR  22           HG1      THR  22   2.528 -11.364  -1.252
   74   1HG2  THR  22          1HG2      THR  22   5.997 -11.176  -1.152
   75   2HG2  THR  22          2HG2      THR  22   4.729 -12.312  -0.689
   76   3HG2  THR  22          3HG2      THR  22   4.621 -10.620  -0.198
   77    H    GLY  23           H        GLY  23   5.584  -7.387  -2.910
   78   1HA   GLY  23          1HA       GLY  23   6.626  -8.354  -5.502
   79   2HA   GLY  23          2HA       GLY  23   6.134  -6.683  -5.257
   80    H    THR  24           H        THR  24   8.675  -7.251  -6.145
   81    HA   THR  24           HA       THR  24  10.326  -6.855  -3.750
   82    HB   THR  24           HB       THR  24  11.972  -7.458  -5.988
   83    HG1  THR  24           HG1      THR  24   9.843  -9.328  -5.597
   84   1HG2  THR  24          1HG2      THR  24  12.719  -9.260  -4.630
   85   2HG2  THR  24          2HG2      THR  24  11.197  -9.312  -3.741
   86   3HG2  THR  24          3HG2      THR  24  12.297  -7.951  -3.527
   87    H    ILE  25           H        ILE  25  10.898  -4.840  -3.444
   88    HA   ILE  25           HA       ILE  25  11.270  -3.005  -5.683
   89    HB   ILE  25           HB       ILE  25  10.116  -1.966  -3.894
   90   1HG1  ILE  25          1HG1      ILE  25  13.019  -1.165  -3.600
   91   2HG1  ILE  25          2HG1      ILE  25  11.897  -0.544  -4.806
   92   1HG2  ILE  25          1HG2      ILE  25  10.328  -2.398  -1.714
   93   2HG2  ILE  25          2HG2      ILE  25  11.213  -3.817  -2.274
   94   3HG2  ILE  25          3HG2      ILE  25  12.091  -2.372  -1.768
   95   1HD1  ILE  25          1HD1      ILE  25  10.689   0.668  -3.222
   96   2HD1  ILE  25          2HD1      ILE  25  11.357  -0.254  -1.874
   97   3HD1  ILE  25          3HD1      ILE  25  12.373   0.890  -2.750
   98    H    GLN  26           H        GLN  26  13.321  -1.852  -5.932
   99    HA   GLN  26           HA       GLN  26  15.527  -3.649  -5.198
  100   1HB   GLN  26          1HB       GLN  26  15.796  -1.636  -7.386
  101   2HB   GLN  26          2HB       GLN  26  16.562  -3.211  -7.206
  102   1HG   GLN  26          1HG       GLN  26  13.674  -3.389  -7.460
  103   2HG   GLN  26          2HG       GLN  26  14.438  -2.612  -8.845
  104   1HE2  GLN  26          1HE2      GLN  26  15.081  -5.383  -6.704
  105   2HE2  GLN  26          2HE2      GLN  26  15.466  -6.487  -7.980
  106    H    GLY  27           H        GLY  27  15.664  -2.573  -3.109
  107   1HA   GLY  27          1HA       GLY  27  17.225  -1.496  -1.799
  108   2HA   GLY  27          2HA       GLY  27  17.985  -0.913  -3.271
  109    H    LYS  28           H        LYS  28  18.310   1.166  -2.678
  110    HA   LYS  28           HA       LYS  28  16.328   2.694  -1.299
  111   1HB   LYS  28          1HB       LYS  28  17.914   4.619  -1.797
  112   2HB   LYS  28          2HB       LYS  28  18.541   3.306  -0.814
  113   1HG   LYS  28          1HG       LYS  28  19.486   2.382  -3.018
  114   2HG   LYS  28          2HG       LYS  28  19.184   4.001  -3.652
  115   1HD   LYS  28          1HD       LYS  28  21.040   3.152  -1.451
  116   2HD   LYS  28          2HD       LYS  28  21.406   4.078  -2.908
  117   1HE   LYS  28          1HE       LYS  28  19.600   5.712  -1.753
  118   2HE   LYS  28          2HE       LYS  28  20.299   4.964  -0.316
  119   1HZ   LYS  28          1HZ       LYS  28  21.592   6.670  -2.335
  120   2HZ   LYS  28          2HZ       LYS  28  22.526   5.565  -1.456
  121   3HZ   LYS  28          3HZ       LYS  28  21.652   6.770  -0.644
  122    H    GLY  29           H        GLY  29  14.958   1.830  -3.312
  123   1HA   GLY  29          1HA       GLY  29  14.719   4.117  -5.160
  124   2HA   GLY  29          2HA       GLY  29  14.167   2.484  -5.518
  125    H    GLU  30           H        GLU  30  12.288   4.134  -5.942
  126    HA   GLU  30           HA       GLU  30  10.519   3.967  -3.612
  127   1HB   GLU  30          1HB       GLU  30  10.816   6.371  -5.424
  128   2HB   GLU  30          2HB       GLU  30   9.560   6.177  -4.210
  129   1HG   GLU  30          1HG       GLU  30  11.139   6.289  -2.443
  130   2HG   GLU  30          2HG       GLU  30  12.497   6.178  -3.566
  131    H    VAL  31           H        VAL  31   8.822   2.789  -4.153
  132    HA   VAL  31           HA       VAL  31   7.656   3.137  -6.826
  133    HB   VAL  31           HB       VAL  31   8.996   1.101  -6.976
  134   1HG1  VAL  31          1HG1      VAL  31   8.827   0.686  -4.435
  135   2HG1  VAL  31          2HG1      VAL  31   7.360  -0.207  -4.837
  136   3HG1  VAL  31          3HG1      VAL  31   8.908  -0.702  -5.519
  137   1HG2  VAL  31          1HG2      VAL  31   6.172   0.134  -6.704
  138   2HG2  VAL  31          2HG2      VAL  31   6.624   1.286  -7.961
  139   3HG2  VAL  31          3HG2      VAL  31   7.390  -0.302  -7.904
  140    H    CYS  32           H        CYS  32   5.453   3.084  -6.862
  141    HA   CYS  32           HA       CYS  32   4.142   3.217  -4.273
  142   1HB   CYS  32          1HB       CYS  32   2.162   3.668  -6.062
  143   2HB   CYS  32          2HB       CYS  32   3.234   4.927  -5.454
  144    H    ILE  33           H        ILE  33   2.638   1.754  -3.528
  145    HA   ILE  33           HA       ILE  33   2.235  -0.649  -5.051
  146    HB   ILE  33           HB       ILE  33   1.667   0.182  -2.305
  147   1HG1  ILE  33          1HG1      ILE  33   3.271  -1.519  -2.727
  148   2HG1  ILE  33          2HG1      ILE  33   1.883  -2.328  -2.008
  149   1HG2  ILE  33          1HG2      ILE  33  -0.250  -1.339  -1.958
  150   2HG2  ILE  33          2HG2      ILE  33  -0.665   0.043  -2.972
  151   3HG2  ILE  33          3HG2      ILE  33  -0.386  -1.537  -3.705
  152   1HD1  ILE  33          1HD1      ILE  33   2.080  -3.757  -3.704
  153   2HD1  ILE  33          2HD1      ILE  33   1.327  -2.492  -4.677
  154   3HD1  ILE  33          3HD1      ILE  33   3.085  -2.651  -4.641
  155    H    ILE  34           H        ILE  34   0.871  -0.908  -6.519
  156    HA   ILE  34           HA       ILE  34  -1.709   0.370  -6.652
  157    HB   ILE  34           HB       ILE  34  -1.049   1.064  -9.116
  158   1HG1  ILE  34          1HG1      ILE  34   1.389   2.197  -8.601
  159   2HG1  ILE  34          2HG1      ILE  34   1.544   0.645  -7.784
  160   1HG2  ILE  34          1HG2      ILE  34  -1.420   2.432  -6.728
  161   2HG2  ILE  34          2HG2      ILE  34   0.041   3.133  -7.424
  162   3HG2  ILE  34          3HG2      ILE  34  -1.455   3.113  -8.355
  163   1HD1  ILE  34          1HD1      ILE  34   1.105   1.208 -10.688
  164   2HD1  ILE  34          2HD1      ILE  34   2.370   0.253  -9.913
  165   3HD1  ILE  34          3HD1      ILE  34   0.719  -0.366  -9.990
  166    H    GLY  35           H        GLY  35  -2.018  -0.169  -9.461
  167   1HA   GLY  35          1HA       GLY  35  -1.175  -2.168 -10.831
  168   2HA   GLY  35          2HA       GLY  35  -1.741  -3.097  -9.448
  169    H    ASN  36           H        ASN  36  -3.283  -4.226 -10.590
  170    HA   ASN  36           HA       ASN  36  -5.489  -2.596 -11.654
  171   1HB   ASN  36          1HB       ASN  36  -4.069  -4.289 -13.140
  172   2HB   ASN  36          2HB       ASN  36  -5.208  -5.447 -12.457
  173   1HD2  ASN  36          1HD2      ASN  36  -4.664  -3.481 -15.001
  174   2HD2  ASN  36          2HD2      ASN  36  -6.297  -3.236 -15.532
  175    H    LYS  37           H        LYS  37  -7.372  -2.759 -10.717
  176    HA   LYS  37           HA       LYS  37  -8.209  -5.169  -9.344
  177   1HB   LYS  37          1HB       LYS  37  -8.377  -4.312  -7.204
  178   2HB   LYS  37          2HB       LYS  37  -6.936  -3.476  -7.750
  179   1HG   LYS  37          1HG       LYS  37  -9.708  -2.295  -7.778
  180   2HG   LYS  37          2HG       LYS  37  -8.523  -2.045  -6.497
  181   1HD   LYS  37          1HD       LYS  37  -7.025  -0.946  -8.039
  182   2HD   LYS  37          2HD       LYS  37  -8.095  -1.314  -9.395
  183   1HE   LYS  37          1HE       LYS  37  -9.873   0.011  -8.142
  184   2HE   LYS  37          2HE       LYS  37  -8.562   0.582  -7.109
  185   1HZ   LYS  37          1HZ       LYS  37  -8.521   0.856 -10.057
  186   2HZ   LYS  37          2HZ       LYS  37  -7.511   1.621  -8.929
  187   3HZ   LYS  37          3HZ       LYS  37  -9.150   2.050  -9.032
  188    H    GLU  38           H        GLU  38  -8.876  -3.696 -11.730
  189    HA   GLU  38           HA       GLU  38 -10.537  -2.710 -12.899
  190   1HB   GLU  38          1HB       GLU  38 -12.073  -3.845 -10.587
  191   2HB   GLU  38          2HB       GLU  38 -12.883  -2.754 -11.704
  192   1HG   GLU  38          1HG       GLU  38 -13.245  -5.091 -12.299
  193   2HG   GLU  38          2HG       GLU  38 -12.372  -4.224 -13.559
  194    H    GLY  39           H        GLY  39 -12.792  -1.246 -11.169
  195   1HA   GLY  39          1HA       GLY  39 -11.426   0.662  -9.620
  196   2HA   GLY  39          2HA       GLY  39 -11.515   1.270 -11.260
  197    H    LYS  40           H        LYS  40 -13.604  -0.083  -8.703
  198    HA   LYS  40           HA       LYS  40 -15.134   2.358  -8.815
  199   1HB   LYS  40          1HB       LYS  40 -17.280   1.434  -9.266
  200   2HB   LYS  40          2HB       LYS  40 -16.207   0.870 -10.536
  201   1HG   LYS  40          1HG       LYS  40 -16.556  -1.267 -10.021
  202   2HG   LYS  40          2HG       LYS  40 -16.372  -0.975  -8.288
  203   1HD   LYS  40          1HD       LYS  40 -18.575  -1.393  -8.186
  204   2HD   LYS  40          2HD       LYS  40 -18.760   0.243  -8.820
  205   1HE   LYS  40          1HE       LYS  40 -18.330  -1.919 -10.792
  206   2HE   LYS  40          2HE       LYS  40 -19.881  -1.903  -9.958
  207   1HZ   LYS  40          1HZ       LYS  40 -19.843   0.597 -10.629
  208   2HZ   LYS  40          2HZ       LYS  40 -20.309  -0.576 -11.757
  209   3HZ   LYS  40          3HZ       LYS  40 -18.745   0.074 -11.812
  210    H    THR  41           H        THR  41 -13.392   1.103  -6.971
  211    HA   THR  41           HA       THR  41 -15.019  -0.002  -4.844
  212    HB   THR  41           HB       THR  41 -12.610   0.263  -3.700
  213    HG1  THR  41           HG1      THR  41 -11.145   0.839  -5.110
  214   1HG2  THR  41          1HG2      THR  41 -13.088  -1.928  -3.745
  215   2HG2  THR  41          2HG2      THR  41 -12.169  -1.971  -5.250
  216   3HG2  THR  41          3HG2      THR  41 -13.924  -1.798  -5.292
  217    H    ARG  42           H        ARG  42 -14.193   0.909  -2.560
  218    HA   ARG  42           HA       ARG  42 -14.573   3.823  -2.630
  219   1HB   ARG  42          1HB       ARG  42 -15.620   1.738  -0.960
  220   2HB   ARG  42          2HB       ARG  42 -14.671   2.833   0.032
  221   1HG   ARG  42          1HG       ARG  42 -17.170   3.345  -1.497
  222   2HG   ARG  42          2HG       ARG  42 -16.748   3.791   0.155
  223   1HD   ARG  42          1HD       ARG  42 -14.896   5.112  -1.454
  224   2HD   ARG  42          2HD       ARG  42 -16.435   5.283  -2.292
  225    HE   ARG  42           HE       ARG  42 -16.246   5.967   0.563
  226   1HH1  ARG  42          1HH1      ARG  42 -16.757   6.914  -2.774
  227   2HH1  ARG  42          2HH1      ARG  42 -17.401   8.485  -2.360
  228   1HH2  ARG  42          1HH2      ARG  42 -17.048   8.044   1.103
  229   2HH2  ARG  42          2HH2      ARG  42 -17.566   9.123  -0.158
  230    H    GLY  43           H        GLY  43 -13.343   5.024  -0.898
  231   1HA   GLY  43          1HA       GLY  43 -10.755   3.782  -0.288
  232   2HA   GLY  43          2HA       GLY  43 -10.787   5.313  -1.151
  233    H    GLY  44           H        GLY  44 -10.917   3.775   1.883
  234   1HA   GLY  44          1HA       GLY  44 -10.730   6.321   3.225
  235   2HA   GLY  44          2HA       GLY  44 -12.240   5.483   3.552
  236    H    GLU  45           H        GLU  45 -11.696   2.955   3.946
  237    HA   GLU  45           HA       GLU  45 -10.218   3.122   6.438
  238   1HB   GLU  45          1HB       GLU  45 -12.469   1.708   5.549
  239   2HB   GLU  45          2HB       GLU  45 -11.235   0.488   5.840
  240   1HG   GLU  45          1HG       GLU  45 -11.805   2.598   7.876
  241   2HG   GLU  45          2HG       GLU  45 -12.818   1.161   7.752
  242    H    LEU  46           H        LEU  46  -8.328   3.484   4.898
  243    HA   LEU  46           HA       LEU  46  -7.131   1.264   3.618
  244   1HB   LEU  46          1HB       LEU  46  -5.037   2.912   4.124
  245   2HB   LEU  46          2HB       LEU  46  -6.117   3.066   2.754
  246    HG   LEU  46           HG       LEU  46  -7.341   4.511   4.834
  247   1HD1  LEU  46          1HD1      LEU  46  -5.403   4.622   6.157
  248   2HD1  LEU  46          2HD1      LEU  46  -4.365   4.891   4.756
  249   3HD1  LEU  46          3HD1      LEU  46  -5.469   6.158   5.293
  250   1HD2  LEU  46          1HD2      LEU  46  -5.656   5.787   2.719
  251   2HD2  LEU  46          2HD2      LEU  46  -7.097   4.872   2.277
  252   3HD2  LEU  46          3HD2      LEU  46  -7.235   6.273   3.338
  253    H    TYR  47           H        TYR  47  -6.699  -0.496   4.785
  254    HA   TYR  47           HA       TYR  47  -4.959  -0.171   7.133
  255   1HB   TYR  47          1HB       TYR  47  -7.291  -1.055   7.608
  256   2HB   TYR  47          2HB       TYR  47  -6.856  -2.476   6.668
  257    HD1  TYR  47           HD1      TYR  47  -4.743  -3.779   7.468
  258    HD2  TYR  47           HD2      TYR  47  -6.886  -1.016   9.890
  259    HE1  TYR  47           HE1      TYR  47  -3.803  -4.828   9.482
  260    HE2  TYR  47           HE2      TYR  47  -5.946  -2.050  11.912
  261    HH   TYR  47           HH       TYR  47  -5.025  -4.323  12.557
  262    H    ALA  48           H        ALA  48  -2.980  -0.494   6.205
  263    HA   ALA  48           HA       ALA  48  -2.549  -3.091   4.894
  264   1HB   ALA  48          1HB       ALA  48  -0.816  -1.166   3.706
  265   2HB   ALA  48          2HB       ALA  48  -2.053  -2.165   2.940
  266   3HB   ALA  48          3HB       ALA  48  -2.477  -0.582   3.594
  267    H    VAL  49           H        VAL  49  -0.999  -4.180   5.902
  268    HA   VAL  49           HA       VAL  49   1.024  -2.690   7.440
  269    HB   VAL  49           HB       VAL  49   0.021  -4.201   8.918
  270   1HG1  VAL  49          1HG1      VAL  49  -0.637  -6.440   8.453
  271   2HG1  VAL  49          2HG1      VAL  49  -1.233  -5.424   7.142
  272   3HG1  VAL  49          3HG1      VAL  49   0.198  -6.425   6.899
  273   1HG2  VAL  49          1HG2      VAL  49   1.745  -5.567   9.635
  274   2HG2  VAL  49          2HG2      VAL  49   2.207  -6.022   7.995
  275   3HG2  VAL  49          3HG2      VAL  49   2.602  -4.415   8.608
  276    H    LEU  50           H        LEU  50   3.234  -2.960   7.009
  277    HA   LEU  50           HA       LEU  50   3.787  -4.554   4.600
  278   1HB   LEU  50          1HB       LEU  50   4.320  -1.839   5.142
  279   2HB   LEU  50          2HB       LEU  50   5.865  -2.660   5.231
  280    HG   LEU  50           HG       LEU  50   4.152  -2.101   2.893
  281   1HD1  LEU  50          1HD1      LEU  50   7.019  -2.753   2.674
  282   2HD1  LEU  50          2HD1      LEU  50   6.093  -1.436   1.956
  283   3HD1  LEU  50          3HD1      LEU  50   6.606  -1.339   3.641
  284   1HD2  LEU  50          1HD2      LEU  50   5.623  -4.162   1.899
  285   2HD2  LEU  50          2HD2      LEU  50   5.128  -4.800   3.467
  286   3HD2  LEU  50          3HD2      LEU  50   3.912  -4.251   2.314
  287    H    HIS  51           H        HIS  51   5.259  -6.100   4.717
  288    HA   HIS  51           HA       HIS  51   6.908  -6.265   7.151
  289   1HB   HIS  51          1HB       HIS  51   6.350  -8.657   5.425
  290   2HB   HIS  51          2HB       HIS  51   6.824  -8.604   7.118
  291    HD1  HIS  51           HD1      HIS  51   4.926  -8.317   8.869
  292    HD2  HIS  51           HD2      HIS  51   3.647  -8.379   4.922
  293    HE1  HIS  51           HE1      HIS  51   2.428  -8.612   8.970
  294    HE2  HIS  51           HE2      HIS  51   1.692  -8.811   6.563
  295    H    SER  52           H        SER  52   8.864  -5.674   6.713
  296    HA   SER  52           HA       SER  52   9.966  -5.656   4.085
  297   1HB   SER  52          1HB       SER  52  10.763  -4.766   6.779
  298   2HB   SER  52          2HB       SER  52  12.094  -5.201   5.709
  299    HG   SER  52           HG       SER  52  10.060  -3.259   5.262
  300    H    THR  53           H        THR  53  10.194  -7.688   3.244
  301    HA   THR  53           HA       THR  53  11.447  -9.760   4.871
  302    HB   THR  53           HB       THR  53  10.674 -10.305   2.059
  303    HG1  THR  53           HG1      THR  53   8.976  -9.132   3.846
  304   1HG2  THR  53          1HG2      THR  53  10.504 -12.420   2.814
  305   2HG2  THR  53          2HG2      THR  53   9.660 -11.930   4.284
  306   3HG2  THR  53          3HG2      THR  53  11.418 -11.812   4.197
  307    H    ASN  54           H        ASN  54  13.572  -8.946   4.933
  308    HA   ASN  54           HA       ASN  54  15.269  -9.821   2.846
  309   1HB   ASN  54          1HB       ASN  54  16.212  -7.650   2.166
  310   2HB   ASN  54          2HB       ASN  54  14.517  -7.787   1.719
  311   1HD2  ASN  54          1HD2      ASN  54  12.964  -6.677   3.016
  312   2HD2  ASN  54          2HD2      ASN  54  13.407  -5.255   3.880
  313    H    VAL  55           H        VAL  55  17.547  -8.435   3.289
  314    HA   VAL  55           HA       VAL  55  18.323  -9.429   5.851
  315    HB   VAL  55           HB       VAL  55  20.000  -7.658   4.079
  316   1HG1  VAL  55          1HG1      VAL  55  21.411  -9.804   5.305
  317   2HG1  VAL  55          2HG1      VAL  55  21.595  -8.070   5.567
  318   3HG1  VAL  55          3HG1      VAL  55  20.444  -8.990   6.537
  319   1HG2  VAL  55          1HG2      VAL  55  20.041 -10.642   3.869
  320   2HG2  VAL  55          2HG2      VAL  55  18.869  -9.706   2.940
  321   3HG2  VAL  55          3HG2      VAL  55  20.598  -9.430   2.714
  322    H    ASN  56           H        ASN  56  18.830  -6.171   4.495
  323    HA   ASN  56           HA       ASN  56  18.803  -5.094   7.204
  324   1HB   ASN  56          1HB       ASN  56  19.428  -2.918   5.933
  325   2HB   ASN  56          2HB       ASN  56  20.632  -4.191   6.067
  326   1HD2  ASN  56          1HD2      ASN  56  18.168  -2.867   3.905
  327   2HD2  ASN  56          2HD2      ASN  56  18.989  -3.287   2.436
  328    H    ALA  57           H        ALA  57  16.556  -5.490   7.471
  329    HA   ALA  57           HA       ALA  57  14.643  -4.416   5.647
  330   1HB   ALA  57          1HB       ALA  57  13.734  -6.252   6.583
  331   2HB   ALA  57          2HB       ALA  57  14.578  -6.026   8.118
  332   3HB   ALA  57          3HB       ALA  57  13.135  -5.077   7.755
  333    H    ASP  58           H        ASP  58  15.648  -2.219   5.858
  334    HA   ASP  58           HA       ASP  58  14.090  -0.707   7.852
  335   1HB   ASP  58          1HB       ASP  58  16.639  -0.459   7.974
  336   2HB   ASP  58          2HB       ASP  58  16.537   0.334   6.407
  337    H    MET  59           H        MET  59  12.290  -0.952   6.333
  338    HA   MET  59           HA       MET  59  12.656   0.718   3.928
  339   1HB   MET  59          1HB       MET  59  11.930  -1.901   3.936
  340   2HB   MET  59          2HB       MET  59  10.353  -1.134   4.033
  341   1HG   MET  59          1HG       MET  59  10.459  -0.339   1.922
  342   2HG   MET  59          2HG       MET  59  12.200  -0.072   1.992
  343   1HE   MET  59          1HE       MET  59   9.428  -2.824   1.877
  344   2HE   MET  59          2HE       MET  59  10.344  -4.255   1.409
  345   3HE   MET  59          3HE       MET  59  10.587  -3.536   3.002
  346    H    THR  60           H        THR  60  10.459   1.699   3.261
  347    HA   THR  60           HA       THR  60   8.891   2.366   5.626
  348    HB   THR  60           HB       THR  60   9.000   4.826   4.594
  349    HG1  THR  60           HG1      THR  60  11.014   3.487   3.371
  350   1HG2  THR  60          1HG2      THR  60  10.606   3.391   6.628
  351   2HG2  THR  60          2HG2      THR  60   9.557   4.798   6.800
  352   3HG2  THR  60          3HG2      THR  60  11.184   4.985   6.149
  353    H    LEU  61           H        LEU  61   6.869   1.859   5.118
  354    HA   LEU  61           HA       LEU  61   5.925   2.250   2.387
  355   1HB   LEU  61          1HB       LEU  61   5.107   0.232   3.151
  356   2HB   LEU  61          2HB       LEU  61   4.939   0.798   4.800
  357    HG   LEU  61           HG       LEU  61   3.017   2.270   3.826
  358   1HD1  LEU  61          1HD1      LEU  61   3.788   0.659   1.558
  359   2HD1  LEU  61          2HD1      LEU  61   2.095   0.411   1.986
  360   3HD1  LEU  61          3HD1      LEU  61   2.690   2.037   1.646
  361   1HD2  LEU  61          1HD2      LEU  61   2.973  -0.662   4.425
  362   2HD2  LEU  61          2HD2      LEU  61   2.414   0.690   5.411
  363   3HD2  LEU  61          3HD2      LEU  61   1.491   0.190   3.996
  364    H    ILE  62           H        ILE  62   5.358   4.278   1.936
  365    HA   ILE  62           HA       ILE  62   4.101   5.813   4.095
  366    HB   ILE  62           HB       ILE  62   4.993   7.781   3.310
  367   1HG1  ILE  62          1HG1      ILE  62   5.470   6.446   0.642
  368   2HG1  ILE  62          2HG1      ILE  62   4.242   7.656   1.002
  369   1HG2  ILE  62          1HG2      ILE  62   6.780   5.509   3.311
  370   2HG2  ILE  62          2HG2      ILE  62   7.392   6.825   2.308
  371   3HG2  ILE  62          3HG2      ILE  62   6.998   7.118   4.002
  372   1HD1  ILE  62          1HD1      ILE  62   6.993   7.991   0.258
  373   2HD1  ILE  62          2HD1      ILE  62   5.688   9.175   0.321
  374   3HD1  ILE  62          3HD1      ILE  62   6.633   8.826   1.769
  375    H    LEU  63           H        LEU  63   2.128   6.296   4.015
  376    HA   LEU  63           HA       LEU  63   0.518   5.813   1.683
  377   1HB   LEU  63          1HB       LEU  63  -0.522   5.292   3.732
  378   2HB   LEU  63          2HB       LEU  63   0.002   6.792   4.475
  379    HG   LEU  63           HG       LEU  63  -1.524   7.861   2.632
  380   1HD1  LEU  63          1HD1      LEU  63  -3.604   6.273   2.550
  381   2HD1  LEU  63          2HD1      LEU  63  -2.301   6.108   1.373
  382   3HD1  LEU  63          3HD1      LEU  63  -2.387   5.012   2.753
  383   1HD2  LEU  63          1HD2      LEU  63  -1.779   7.247   5.353
  384   2HD2  LEU  63          2HD2      LEU  63  -2.673   8.462   4.440
  385   3HD2  LEU  63          3HD2      LEU  63  -3.329   6.835   4.619
  386    H    LEU  64           H        LEU  64   0.716   7.226   0.060
  387    HA   LEU  64           HA       LEU  64   0.679  10.087   0.694
  388   1HB   LEU  64          1HB       LEU  64   2.918   9.970   0.305
  389   2HB   LEU  64          2HB       LEU  64   2.780   8.543  -0.703
  390    HG   LEU  64           HG       LEU  64   1.589  10.453  -2.258
  391   1HD1  LEU  64          1HD1      LEU  64   3.620  11.739  -0.508
  392   2HD1  LEU  64          2HD1      LEU  64   3.499  12.233  -2.197
  393   3HD1  LEU  64          3HD1      LEU  64   2.098  12.376  -1.134
  394   1HD2  LEU  64          1HD2      LEU  64   3.964  10.488  -3.330
  395   2HD2  LEU  64          2HD2      LEU  64   4.306   9.245  -2.124
  396   3HD2  LEU  64          3HD2      LEU  64   3.017   9.000  -3.303
  397    H    ARG  65           H        ARG  65   0.132  11.437  -1.169
  398    HA   ARG  65           HA       ARG  65  -0.897  10.198  -3.535
  399   1HB   ARG  65          1HB       ARG  65  -3.179  11.157  -3.324
  400   2HB   ARG  65          2HB       ARG  65  -2.849   9.882  -2.165
  401   1HG   ARG  65          1HG       ARG  65  -3.222  11.227  -0.430
  402   2HG   ARG  65          2HG       ARG  65  -2.240  12.524  -1.117
  403   1HD   ARG  65          1HD       ARG  65  -4.231  12.897  -2.707
  404   2HD   ARG  65          2HD       ARG  65  -5.145  11.924  -1.558
  405    HE   ARG  65           HE       ARG  65  -5.155  13.694  -0.104
  406   1HH1  ARG  65          1HH1      ARG  65  -2.704  14.290  -2.535
  407   2HH1  ARG  65          2HH1      ARG  65  -2.474  15.951  -2.083
  408   1HH2  ARG  65          1HH2      ARG  65  -4.866  15.890   0.474
  409   2HH2  ARG  65          2HH2      ARG  65  -3.718  16.866  -0.409
  410    H    ASN  66           H        ASN  66   0.257  11.477  -4.897
  411    HA   ASN  66           HA       ASN  66  -0.613  14.278  -4.930
  412   1HB   ASN  66          1HB       ASN  66   1.650  14.831  -6.000
  413   2HB   ASN  66          2HB       ASN  66   1.622  14.571  -4.263
  414   1HD2  ASN  66          1HD2      ASN  66   2.546  13.218  -7.351
  415   2HD2  ASN  66          2HD2      ASN  66   3.667  12.064  -6.714
  416    H    VAL  67           H        VAL  67  -2.225  13.591  -6.364
  417    HA   VAL  67           HA       VAL  67  -1.295  12.496  -8.904
  418    HB   VAL  67           HB       VAL  67  -3.088  11.240  -7.977
  419   1HG1  VAL  67          1HG1      VAL  67  -5.221  13.211  -8.043
  420   2HG1  VAL  67          2HG1      VAL  67  -4.781  12.058  -6.783
  421   3HG1  VAL  67          3HG1      VAL  67  -3.963  13.617  -6.876
  422   1HG2  VAL  67          1HG2      VAL  67  -3.193  11.454 -10.369
  423   2HG2  VAL  67          2HG2      VAL  67  -4.837  11.462  -9.728
  424   3HG2  VAL  67          3HG2      VAL  67  -4.080  12.971 -10.238
  425    H    GLY  68           H        GLY  68  -0.972  13.745 -10.553
  426   1HA   GLY  68          1HA       GLY  68  -1.834  15.600 -11.980
  427   2HA   GLY  68          2HA       GLY  68  -2.067  16.492 -10.478
  428    H    GLY  69           H        GLY  69   0.384  15.251  -9.374
  429   1HA   GLY  69          1HA       GLY  69   2.408  16.748 -10.913
  430   2HA   GLY  69          2HA       GLY  69   2.431  16.601  -9.157
  431    H    ASN  70           H        ASN  70   3.919  15.529 -11.822
  432    HA   ASN  70           HA       ASN  70   3.981  12.700 -11.281
  433   1HB   ASN  70          1HB       ASN  70   4.742  14.435 -13.435
  434   2HB   ASN  70          2HB       ASN  70   6.096  13.388 -13.023
  435   1HD2  ASN  70          1HD2      ASN  70   3.953  13.591 -15.230
  436   2HD2  ASN  70          2HD2      ASN  70   3.443  11.947 -15.425
  437    H    GLY  71           H        GLY  71   4.685  13.332  -8.981
  438   1HA   GLY  71          1HA       GLY  71   7.384  12.430  -8.707
  439   2HA   GLY  71          2HA       GLY  71   7.222  14.125  -8.265
  440    H    TRP  72           H        TRP  72   6.429  10.851  -7.426
  441    HA   TRP  72           HA       TRP  72   4.494  11.482  -5.449
  442   1HB   TRP  72          1HB       TRP  72   6.069   8.934  -5.866
  443   2HB   TRP  72          2HB       TRP  72   4.664   9.105  -4.815
  444    HD1  TRP  72           HD1      TRP  72   5.652   8.583  -8.399
  445    HE1  TRP  72           HE1      TRP  72   3.557   8.328  -9.867
  446    HE3  TRP  72           HE3      TRP  72   2.083   9.926  -4.969
  447    HZ2  TRP  72           HZ2      TRP  72   0.763   8.615  -9.601
  448    HZ3  TRP  72           HZ3      TRP  72  -0.295   9.872  -5.661
  449    HH2  TRP  72           HH2      TRP  72  -0.926   9.241  -7.931
  450    H    GLY  73           H        GLY  73   4.879  12.510  -3.686
  451   1HA   GLY  73          1HA       GLY  73   7.558  12.681  -2.590
  452   2HA   GLY  73          2HA       GLY  73   6.156  13.630  -2.132
  453    H    GLU  74           H        GLU  74   7.050  13.229   0.048
  454    HA   GLU  74           HA       GLU  74   6.246  10.606   1.099
  455   1HB   GLU  74          1HB       GLU  74   7.705  12.712   2.669
  456   2HB   GLU  74          2HB       GLU  74   7.645  10.978   2.949
  457   1HG   GLU  74          1HG       GLU  74   8.815  11.860   0.389
  458   2HG   GLU  74          2HG       GLU  74   9.737  12.214   1.849
  459    H    ILE  75           H        ILE  75   4.605  10.379   2.600
  460    HA   ILE  75           HA       ILE  75   3.644  12.821   3.918
  461    HB   ILE  75           HB       ILE  75   1.795  10.651   2.894
  462   1HG1  ILE  75          1HG1      ILE  75   2.251  13.509   2.006
  463   2HG1  ILE  75          2HG1      ILE  75   2.475  12.048   1.054
  464   1HG2  ILE  75          1HG2      ILE  75   0.957  11.477   4.971
  465   2HG2  ILE  75          2HG2      ILE  75   1.268  13.146   4.499
  466   3HG2  ILE  75          3HG2      ILE  75   0.008  12.221   3.684
  467   1HD1  ILE  75          1HD1      ILE  75   0.408  12.233   0.301
  468   2HD1  ILE  75          2HD1      ILE  75  -0.210  12.086   1.947
  469   3HD1  ILE  75          3HD1      ILE  75   0.171  13.677   1.289
  470    H    LYS  76           H        LYS  76   2.209   9.615   4.345
  471    HA   LYS  76           HA       LYS  76   3.245   9.669   7.099
  472   1HB   LYS  76          1HB       LYS  76   0.698   9.303   6.300
  473   2HB   LYS  76          2HB       LYS  76   1.238   7.628   6.326
  474   1HG   LYS  76          1HG       LYS  76   1.722   9.422   8.671
  475   2HG   LYS  76          2HG       LYS  76   0.161   8.637   8.442
  476   1HD   LYS  76          1HD       LYS  76   0.991   6.819   9.423
  477   2HD   LYS  76          2HD       LYS  76   2.106   6.642   8.064
  478   1HE   LYS  76          1HE       LYS  76   3.862   7.375   9.259
  479   2HE   LYS  76          2HE       LYS  76   2.925   8.651  10.032
  480   1HZ   LYS  76          1HZ       LYS  76   3.264   5.842  10.866
  481   2HZ   LYS  76          2HZ       LYS  76   1.906   6.724  11.370
  482   3HZ   LYS  76          3HZ       LYS  76   3.460   7.260  11.775
  483    H    ARG  77           H        ARG  77   5.133   8.689   7.219
  484    HA   ARG  77           HA       ARG  77   5.717   6.362   5.581
  485   1HB   ARG  77          1HB       ARG  77   7.611   7.602   5.554
  486   2HB   ARG  77          2HB       ARG  77   7.235   8.395   7.075
  487   1HG   ARG  77          1HG       ARG  77   7.942   5.588   7.380
  488   2HG   ARG  77          2HG       ARG  77   9.220   6.569   6.663
  489   1HD   ARG  77          1HD       ARG  77   8.085   6.617   9.385
  490   2HD   ARG  77          2HD       ARG  77   9.728   6.941   8.838
  491    HE   ARG  77           HE       ARG  77   7.590   8.921   8.395
  492   1HH1  ARG  77          1HH1      ARG  77  10.671   8.015   9.799
  493   2HH1  ARG  77          2HH1      ARG  77  11.047   9.628  10.329
  494   1HH2  ARG  77          1HH2      ARG  77   8.085  11.036   9.074
  495   2HH2  ARG  77          2HH2      ARG  77   9.573  11.353   9.913
  496    H    ASN  78           H        ASN  78   5.348   4.358   6.274
  497    HA   ASN  78           HA       ASN  78   5.987   3.621   9.025
  498   1HB   ASN  78          1HB       ASN  78   3.323   4.128   8.210
  499   2HB   ASN  78          2HB       ASN  78   3.481   2.382   8.333
  500   1HD2  ASN  78          1HD2      ASN  78   2.648   1.756  10.165
  501   2HD2  ASN  78          2HD2      ASN  78   2.897   2.491  11.709
  502    H    ASP  79           H        ASP  79   7.578   2.073   8.356
  503    HA   ASP  79           HA       ASP  79   6.279  -0.409   7.668
  504   1HB   ASP  79          1HB       ASP  79   6.862   0.232   5.416
  505   2HB   ASP  79          2HB       ASP  79   8.525   0.552   5.900
  506    H    ILE  80           H        ILE  80   6.831  -1.380   9.466
  507    HA   ILE  80           HA       ILE  80   9.189  -2.813   9.145
  508    HB   ILE  80           HB       ILE  80   9.531  -2.437  11.875
  509   1HG1  ILE  80          1HG1      ILE  80   9.374   0.294  10.579
  510   2HG1  ILE  80          2HG1      ILE  80   8.203  -0.337  11.729
  511   1HG2  ILE  80          1HG2      ILE  80  11.549  -0.955  10.768
  512   2HG2  ILE  80          2HG2      ILE  80  11.533  -2.706  10.950
  513   3HG2  ILE  80          3HG2      ILE  80  11.031  -1.975   9.426
  514   1HD1  ILE  80          1HD1      ILE  80   9.656  -0.161  13.507
  515   2HD1  ILE  80          2HD1      ILE  80  11.087  -0.197  12.476
  516   3HD1  ILE  80          3HD1      ILE  80  10.080   1.250  12.537
  517    H    ASP  81           H        ASP  81   7.261  -4.094   8.726
  518    HA   ASP  81           HA       ASP  81   5.917  -5.857   9.267
  519   1HB   ASP  81          1HB       ASP  81   8.073  -6.070  11.015
  520   2HB   ASP  81          2HB       ASP  81   6.672  -6.155  12.075
  521    H    LYS  82           H        LYS  82   4.927  -3.279   9.495
  522    HA   LYS  82           HA       LYS  82   3.033  -3.540  11.715
  523   1HB   LYS  82          1HB       LYS  82   3.384  -1.248  12.469
  524   2HB   LYS  82          2HB       LYS  82   4.853  -2.192  12.630
  525   1HG   LYS  82          1HG       LYS  82   5.843  -1.129  10.750
  526   2HG   LYS  82          2HG       LYS  82   4.322  -0.349  10.315
  527   1HD   LYS  82          1HD       LYS  82   5.696   1.284  11.385
  528   2HD   LYS  82          2HD       LYS  82   4.403   0.854  12.507
  529   1HE   LYS  82          1HE       LYS  82   6.586  -0.912  12.933
  530   2HE   LYS  82          2HE       LYS  82   7.212   0.733  12.895
  531   1HZ   LYS  82          1HZ       LYS  82   6.422  -0.204  15.111
  532   2HZ   LYS  82          2HZ       LYS  82   4.848   0.039  14.526
  533   3HZ   LYS  82          3HZ       LYS  82   5.907   1.355  14.688
  534    HA   PRO  83           HA       PRO  83   0.288  -2.053   8.646
  535   1HB   PRO  83          1HB       PRO  83  -1.905  -1.674  10.132
  536   2HB   PRO  83          2HB       PRO  83  -1.221  -3.284   9.881
  537   1HG   PRO  83          1HG       PRO  83  -1.032  -1.494  12.260
  538   2HG   PRO  83          2HG       PRO  83  -1.201  -3.257  12.188
  539   1HD   PRO  83          1HD       PRO  83   1.180  -1.876  12.602
  540   2HD   PRO  83          2HD       PRO  83   1.047  -3.565  12.082
  541    H    LEU  84           H        LEU  84  -0.157  -0.219   7.650
  542    HA   LEU  84           HA       LEU  84  -0.132   2.292   9.157
  543   1HB   LEU  84          1HB       LEU  84   1.149   1.742   6.893
  544   2HB   LEU  84          2HB       LEU  84  -0.390   2.196   6.189
  545    HG   LEU  84           HG       LEU  84   1.175   3.974   8.057
  546   1HD1  LEU  84          1HD1      LEU  84   1.014   4.555   5.165
  547   2HD1  LEU  84          2HD1      LEU  84   2.299   4.893   6.326
  548   3HD1  LEU  84          3HD1      LEU  84   2.113   3.269   5.669
  549   1HD2  LEU  84          1HD2      LEU  84  -1.452   4.111   6.904
  550   2HD2  LEU  84          2HD2      LEU  84  -0.675   5.202   8.050
  551   3HD2  LEU  84          3HD2      LEU  84  -0.454   5.443   6.319
  552    H    LYS  85           H        LYS  85  -2.160   2.207  10.095
  553    HA   LYS  85           HA       LYS  85  -4.364   2.566   8.181
  554   1HB   LYS  85          1HB       LYS  85  -4.542   0.600   9.805
  555   2HB   LYS  85          2HB       LYS  85  -4.717   1.801  11.078
  556   1HG   LYS  85          1HG       LYS  85  -6.546   2.588   9.157
  557   2HG   LYS  85          2HG       LYS  85  -6.657   0.828   9.165
  558   1HD   LYS  85          1HD       LYS  85  -8.026   1.085  10.914
  559   2HD   LYS  85          2HD       LYS  85  -6.570   1.453  11.842
  560   1HE   LYS  85          1HE       LYS  85  -8.001   3.240  12.302
  561   2HE   LYS  85          2HE       LYS  85  -6.920   3.868  11.062
  562   1HZ   LYS  85          1HZ       LYS  85  -9.250   2.619   9.951
  563   2HZ   LYS  85          2HZ       LYS  85  -8.610   4.167   9.669
  564   3HZ   LYS  85          3HZ       LYS  85  -9.641   3.909  10.985
  565    H    TYR  86           H        TYR  86  -5.190   4.536   8.098
  566    HA   TYR  86           HA       TYR  86  -4.488   6.414  10.245
  567   1HB   TYR  86          1HB       TYR  86  -4.029   6.653   7.562
  568   2HB   TYR  86          2HB       TYR  86  -5.559   7.506   7.726
  569    HD1  TYR  86           HD1      TYR  86  -4.080   7.929  10.804
  570    HD2  TYR  86           HD2      TYR  86  -3.607   9.172   6.765
  571    HE1  TYR  86           HE1      TYR  86  -2.878   9.933  11.567
  572    HE2  TYR  86           HE2      TYR  86  -2.409  11.181   7.518
  573    HH   TYR  86           HH       TYR  86  -1.839  12.432   9.285
  574    H    GLU  87           H        GLU  87  -6.073   7.729  11.149
  575    HA   GLU  87           HA       GLU  87  -8.835   6.931  10.687
  576   1HB   GLU  87          1HB       GLU  87  -8.332   9.224  12.472
  577   2HB   GLU  87          2HB       GLU  87  -9.316   7.794  12.733
  578   1HG   GLU  87          1HG       GLU  87  -6.317   7.827  12.921
  579   2HG   GLU  87          2HG       GLU  87  -7.401   8.043  14.294
  580    H    ASP  88           H        ASP  88  -6.590   9.254   9.707
  581    HA   ASP  88           HA       ASP  88  -8.572  11.182   8.821
  582   1HB   ASP  88          1HB       ASP  88  -6.484  12.067   9.701
  583   2HB   ASP  88          2HB       ASP  88  -5.556  11.118   8.544
  584    H    TYR  89           H        TYR  89  -9.714   9.920   7.348
  585    HA   TYR  89           HA       TYR  89  -8.298   9.493   4.811
  586   1HB   TYR  89          1HB       TYR  89 -10.171   7.685   4.475
  587   2HB   TYR  89          2HB       TYR  89  -8.707   7.290   5.361
  588    HD1  TYR  89           HD1      TYR  89 -12.189   8.520   5.947
  589    HD2  TYR  89           HD2      TYR  89  -8.887   6.289   7.430
  590    HE1  TYR  89           HE1      TYR  89 -13.550   7.794   7.861
  591    HE2  TYR  89           HE2      TYR  89 -10.237   5.558   9.349
  592    HH   TYR  89           HH       TYR  89 -12.154   5.822  10.461
  593    H    TYR  90           H        TYR  90  -9.780  11.766   5.846
  594    HA   TYR  90           HA       TYR  90 -12.036  11.787   3.965
  595   1HB   TYR  90          1HB       TYR  90 -11.676  12.931   6.672
  596   2HB   TYR  90          2HB       TYR  90 -12.500  13.967   5.511
  597    HD1  TYR  90           HD1      TYR  90 -14.801  13.844   5.534
  598    HD2  TYR  90           HD2      TYR  90 -12.565  10.353   6.502
  599    HE1  TYR  90           HE1      TYR  90 -16.897  12.608   5.908
  600    HE2  TYR  90           HE2      TYR  90 -14.652   9.112   6.876
  601    HH   TYR  90           HH       TYR  90 -17.710  10.657   7.079
  602    H    THR  91           H        THR  91 -12.023  14.815   4.449
  603    HA   THR  91           HA       THR  91 -11.336  16.634   3.268
  604    HB   THR  91           HB       THR  91  -8.605  15.440   2.918
  605    HG1  THR  91           HG1      THR  91  -8.573  15.051   5.013
  606   1HG2  THR  91          1HG2      THR  91  -8.936  18.119   4.049
  607   2HG2  THR  91          2HG2      THR  91  -9.648  17.928   2.448
  608   3HG2  THR  91          3HG2      THR  91  -7.938  17.577   2.702
  609    H    SER  92           H        SER  92 -12.776  15.159   1.766
  610    HA   SER  92           HA       SER  92 -13.387  14.801  -0.384
  611   1HB   SER  92          1HB       SER  92 -10.573  15.679  -1.066
  612   2HB   SER  92          2HB       SER  92 -11.824  15.319  -2.256
  613    HG   SER  92           HG       SER  92 -12.869  17.003  -0.496
  614    H    GLY  93           H        GLY  93 -13.580  12.970  -1.556
  615   1HA   GLY  93          1HA       GLY  93 -12.093  10.669  -0.698
  616   2HA   GLY  93          2HA       GLY  93 -13.369  10.699  -1.904
  617    H    LEU  94           H        LEU  94 -10.028  11.789  -1.461
  618    HA   LEU  94           HA       LEU  94  -9.492  11.650  -4.297
  619   1HB   LEU  94          1HB       LEU  94  -8.049  12.557  -1.866
  620   2HB   LEU  94          2HB       LEU  94  -7.071  12.047  -3.228
  621    HG   LEU  94           HG       LEU  94  -9.251  14.004  -3.751
  622   1HD1  LEU  94          1HD1      LEU  94  -6.658  14.672  -2.367
  623   2HD1  LEU  94          2HD1      LEU  94  -7.692  15.856  -3.169
  624   3HD1  LEU  94          3HD1      LEU  94  -8.294  14.962  -1.773
  625   1HD2  LEU  94          1HD2      LEU  94  -6.420  13.823  -4.766
  626   2HD2  LEU  94          2HD2      LEU  94  -7.797  13.029  -5.529
  627   3HD2  LEU  94          3HD2      LEU  94  -7.737  14.789  -5.431
  628    H    SER  95           H        SER  95  -7.622  10.425  -5.120
  629    HA   SER  95           HA       SER  95  -7.589   7.722  -4.097
  630   1HB   SER  95          1HB       SER  95  -5.763   8.458  -6.298
  631   2HB   SER  95          2HB       SER  95  -6.923   7.133  -6.189
  632    HG   SER  95           HG       SER  95  -8.106   8.317  -7.456
  633    H    TRP  96           H        TRP  96  -5.319   6.635  -4.111
  634    HA   TRP  96           HA       TRP  96  -3.299   8.296  -2.837
  635   1HB   TRP  96          1HB       TRP  96  -4.551   5.885  -1.478
  636   2HB   TRP  96          2HB       TRP  96  -3.125   6.737  -0.906
  637    HD1  TRP  96           HD1      TRP  96  -6.921   7.202  -1.290
  638    HE1  TRP  96           HE1      TRP  96  -7.696   8.993   0.382
  639    HE3  TRP  96           HE3      TRP  96  -2.360   8.686   0.470
  640    HZ2  TRP  96           HZ2      TRP  96  -6.520  10.801   2.221
  641    HZ3  TRP  96           HZ3      TRP  96  -2.269  10.445   2.183
  642    HH2  TRP  96           HH2      TRP  96  -4.308  11.483   3.042
  643    H    ILE  97           H        ILE  97  -1.313   6.979  -2.420
  644    HA   ILE  97           HA       ILE  97  -1.198   4.432  -3.860
  645    HB   ILE  97           HB       ILE  97   1.047   4.966  -4.736
  646   1HG1  ILE  97          1HG1      ILE  97   0.884   7.827  -4.679
  647   2HG1  ILE  97          2HG1      ILE  97   0.818   7.194  -3.035
  648   1HG2  ILE  97          1HG2      ILE  97  -0.318   7.133  -6.041
  649   2HG2  ILE  97          2HG2      ILE  97   0.102   5.534  -6.656
  650   3HG2  ILE  97          3HG2      ILE  97  -1.405   5.770  -5.771
  651   1HD1  ILE  97          1HD1      ILE  97   2.906   6.180  -3.222
  652   2HD1  ILE  97          2HD1      ILE  97   2.903   6.289  -4.981
  653   3HD1  ILE  97          3HD1      ILE  97   3.100   7.745  -4.008
  654    H    TRP  98           H        TRP  98   0.149   2.921  -2.885
  655    HA   TRP  98           HA       TRP  98   1.091   3.725  -0.226
  656   1HB   TRP  98          1HB       TRP  98   0.580   1.024  -1.468
  657   2HB   TRP  98          2HB       TRP  98   1.302   1.229   0.125
  658    HD1  TRP  98           HD1      TRP  98  -2.009   1.404  -1.701
  659    HE1  TRP  98           HE1      TRP  98  -3.918   1.727  -0.004
  660    HE3  TRP  98           HE3      TRP  98   0.793   2.305   2.469
  661    HZ2  TRP  98           HZ2      TRP  98  -4.182   2.275   2.765
  662    HZ3  TRP  98           HZ3      TRP  98  -0.357   2.718   4.599
  663    HH2  TRP  98           HH2      TRP  98  -2.793   2.706   4.743
  664    H    LYS  99           H        LYS  99   3.017   4.730  -0.603
  665    HA   LYS  99           HA       LYS  99   4.823   3.744  -2.621
  666   1HB   LYS  99          1HB       LYS  99   4.261   6.223  -1.662
  667   2HB   LYS  99          2HB       LYS  99   5.759   5.869  -0.815
  668   1HG   LYS  99          1HG       LYS  99   6.781   5.332  -3.034
  669   2HG   LYS  99          2HG       LYS  99   5.305   5.945  -3.782
  670   1HD   LYS  99          1HD       LYS  99   6.638   7.825  -3.810
  671   2HD   LYS  99          2HD       LYS  99   5.759   8.048  -2.291
  672   1HE   LYS  99          1HE       LYS  99   7.655   7.067  -1.074
  673   2HE   LYS  99          2HE       LYS  99   8.524   6.865  -2.593
  674   1HZ   LYS  99          1HZ       LYS  99   9.279   8.918  -2.408
  675   2HZ   LYS  99          2HZ       LYS  99   8.480   9.096  -0.922
  676   3HZ   LYS  99          3HZ       LYS  99   7.700   9.543  -2.364
  677    H    ILE 100           H        ILE 100   6.239   2.206  -2.282
  678    HA   ILE 100           HA       ILE 100   7.428   1.804   0.380
  679    HB   ILE 100           HB       ILE 100   7.799   0.099  -2.084
  680   1HG1  ILE 100          1HG1      ILE 100   6.166  -1.203  -0.168
  681   2HG1  ILE 100          2HG1      ILE 100   5.476   0.395  -0.425
  682   1HG2  ILE 100          1HG2      ILE 100   8.379  -1.620  -0.338
  683   2HG2  ILE 100          2HG2      ILE 100   9.526  -0.290  -0.502
  684   3HG2  ILE 100          3HG2      ILE 100   8.382  -0.308   0.841
  685   1HD1  ILE 100          1HD1      ILE 100   6.244  -1.056  -2.858
  686   2HD1  ILE 100          2HD1      ILE 100   4.914  -1.753  -1.932
  687   3HD1  ILE 100          3HD1      ILE 100   4.811  -0.090  -2.509
  688    H    LYS 101           H        LYS 101   9.234   2.790   0.806
  689    HA   LYS 101           HA       LYS 101  11.225   3.045  -1.338
  690   1HB   LYS 101          1HB       LYS 101  11.019   5.274  -1.192
  691   2HB   LYS 101          2HB       LYS 101   9.959   5.145   0.200
  692   1HG   LYS 101          1HG       LYS 101  12.486   4.632   1.221
  693   2HG   LYS 101          2HG       LYS 101  12.732   5.933   0.052
  694   1HD   LYS 101          1HD       LYS 101  10.839   7.152   1.128
  695   2HD   LYS 101          2HD       LYS 101  10.805   5.900   2.370
  696   1HE   LYS 101          1HE       LYS 101  12.388   6.986   3.481
  697   2HE   LYS 101          2HE       LYS 101  13.482   6.743   2.119
  698   1HZ   LYS 101          1HZ       LYS 101  12.766   8.790   1.155
  699   2HZ   LYS 101          2HZ       LYS 101  13.204   9.093   2.768
  700   3HZ   LYS 101          3HZ       LYS 101  11.564   8.999   2.335
  701    H    ASN 102           H        ASN 102  13.267   2.459  -0.790
  702    HA   ASN 102           HA       ASN 102  13.572   1.369   1.938
  703   1HB   ASN 102          1HB       ASN 102  13.268  -0.376   0.258
  704   2HB   ASN 102          2HB       ASN 102  14.616   0.262  -0.675
  705   1HD2  ASN 102          1HD2      ASN 102  15.664  -1.716  -0.598
  706   2HD2  ASN 102          2HD2      ASN 102  16.453  -2.305   0.815
  707    H    ASN 103           H        ASN 103  16.050   0.951   2.399
  708    HA   ASN 103           HA       ASN 103  17.143   3.659   2.129
  709   1HB   ASN 103          1HB       ASN 103  17.214   1.588   4.253
  710   2HB   ASN 103          2HB       ASN 103  18.610   2.652   4.119
  711   1HD2  ASN 103          1HD2      ASN 103  15.351   2.338   5.083
  712   2HD2  ASN 103          2HD2      ASN 103  15.149   3.945   5.701
  713    H    SER 104           H        SER 104  18.206   0.261   1.856
  714    HA   SER 104           HA       SER 104  20.514   1.056   0.316
  715   1HB   SER 104          1HB       SER 104  20.701   0.412   3.213
  716   2HB   SER 104          2HB       SER 104  21.938  -0.275   2.161
  717    HG   SER 104           HG       SER 104  22.830   1.612   2.030
  718    H    SER 105           H        SER 105  21.695  -0.722  -0.557
  719    HA   SER 105           HA       SER 105  22.043  -2.783  -1.422
  720   1HB   SER 105          1HB       SER 105  20.790  -4.272   0.797
  721   2HB   SER 105          2HB       SER 105  22.406  -4.414   0.108
  722    HG   SER 105           HG       SER 105  21.803  -3.335   2.381
  723    H    GLU 106           H        GLU 106  20.803  -3.257  -3.192
  724    HA   GLU 106           HA       GLU 106  17.936  -3.149  -2.818
  725   1HB   GLU 106          1HB       GLU 106  18.748  -3.949  -5.474
  726   2HB   GLU 106          2HB       GLU 106  17.902  -2.502  -4.952
  727   1HG   GLU 106          1HG       GLU 106  19.719  -1.491  -5.782
  728   2HG   GLU 106          2HG       GLU 106  20.375  -1.850  -4.185
  729    H    THR 107           H        THR 107  18.487  -5.294  -1.417
  730    HA   THR 107           HA       THR 107  16.869  -7.069  -3.084
  731    HB   THR 107           HB       THR 107  17.604  -8.337  -0.610
  732    HG1  THR 107           HG1      THR 107  19.750  -7.449  -2.286
  733   1HG2  THR 107          1HG2      THR 107  18.682  -9.905  -2.445
  734   2HG2  THR 107          2HG2      THR 107  17.748  -8.878  -3.537
  735   3HG2  THR 107          3HG2      THR 107  16.932  -9.784  -2.263
  736    H    SER 108           H        SER 108  14.821  -6.074  -2.716
  737    HA   SER 108           HA       SER 108  14.076  -6.097   0.130
  738   1HB   SER 108          1HB       SER 108  12.897  -3.833  -1.257
  739   2HB   SER 108          2HB       SER 108  13.792  -3.887   0.268
  740    HG   SER 108           HG       SER 108  15.686  -4.190  -1.286
  741    H    ASN 109           H        ASN 109  12.718  -7.824  -0.024
  742    HA   ASN 109           HA       ASN 109  10.474  -7.667  -1.889
  743   1HB   ASN 109          1HB       ASN 109  11.691  -9.836  -1.511
  744   2HB   ASN 109          2HB       ASN 109  11.090  -9.827   0.145
  745   1HD2  ASN 109          1HD2      ASN 109   9.647 -11.419   0.212
  746   2HD2  ASN 109          2HD2      ASN 109   8.321 -11.617  -0.874
  747    H    TYR 110           H        TYR 110   8.539  -6.875  -1.281
  748    HA   TYR 110           HA       TYR 110   8.141  -6.465   1.608
  749   1HB   TYR 110          1HB       TYR 110   6.596  -4.596   0.952
  750   2HB   TYR 110          2HB       TYR 110   8.290  -4.319   0.587
  751    HD1  TYR 110           HD1      TYR 110   9.038  -4.015  -1.665
  752    HD2  TYR 110           HD2      TYR 110   4.992  -5.076  -0.890
  753    HE1  TYR 110           HE1      TYR 110   8.456  -3.474  -3.993
  754    HE2  TYR 110           HE2      TYR 110   4.400  -4.542  -3.217
  755    HH   TYR 110           HH       TYR 110   5.322  -3.066  -5.065
  756    H    SER 111           H        SER 111   6.485  -7.433   2.546
  757    HA   SER 111           HA       SER 111   4.402  -8.600   0.845
  758   1HB   SER 111          1HB       SER 111   4.027  -9.394   3.529
  759   2HB   SER 111          2HB       SER 111   4.659 -10.371   2.204
  760    HG   SER 111           HG       SER 111   6.732  -9.771   2.767
  761    H    LEU 112           H        LEU 112   3.006  -6.916   0.471
  762    HA   LEU 112           HA       LEU 112   2.182  -5.264   2.734
  763   1HB   LEU 112          1HB       LEU 112   2.772  -4.509   0.257
  764   2HB   LEU 112          2HB       LEU 112   1.074  -4.872  -0.001
  765    HG   LEU 112           HG       LEU 112   1.627  -3.177   2.345
  766   1HD1  LEU 112          1HD1      LEU 112   1.659  -1.238   0.490
  767   2HD1  LEU 112          2HD1      LEU 112   3.115  -1.898   1.237
  768   3HD1  LEU 112          3HD1      LEU 112   2.597  -2.476  -0.348
  769   1HD2  LEU 112          1HD2      LEU 112  -0.267  -1.903   1.261
  770   2HD2  LEU 112          2HD2      LEU 112  -0.323  -3.189   0.055
  771   3HD2  LEU 112          3HD2      LEU 112  -0.628  -3.558   1.755
  772    H    ASP 113           H        ASP 113   0.616  -6.120   3.937
  773    HA   ASP 113           HA       ASP 113  -1.496  -7.698   2.651
  774   1HB   ASP 113          1HB       ASP 113  -0.894  -7.224   5.585
  775   2HB   ASP 113          2HB       ASP 113  -2.224  -8.204   4.983
  776    H    ALA 114           H        ALA 114  -2.898  -6.266   1.719
  777    HA   ALA 114           HA       ALA 114  -3.881  -4.058   3.400
  778   1HB   ALA 114          1HB       ALA 114  -4.860  -3.614   0.859
  779   2HB   ALA 114          2HB       ALA 114  -3.433  -2.857   1.572
  780   3HB   ALA 114          3HB       ALA 114  -3.260  -4.299   0.570
  781    H    THR 115           H        THR 115  -5.676  -4.546   4.433
  782    HA   THR 115           HA       THR 115  -7.952  -5.468   2.899
  783    HB   THR 115           HB       THR 115  -6.739  -7.495   3.979
  784    HG1  THR 115           HG1      THR 115  -8.707  -7.938   3.170
  785   1HG2  THR 115          1HG2      THR 115  -6.505  -7.545   6.191
  786   2HG2  THR 115          2HG2      THR 115  -8.257  -7.444   6.379
  787   3HG2  THR 115          3HG2      THR 115  -7.290  -5.971   6.321
  788    H    VAL 116           H        VAL 116  -9.901  -4.719   3.729
  789    HA   VAL 116           HA       VAL 116  -9.612  -2.554   5.630
  790    HB   VAL 116           HB       VAL 116 -10.896  -2.128   3.613
  791   1HG1  VAL 116          1HG1      VAL 116 -13.159  -3.849   4.445
  792   2HG1  VAL 116          2HG1      VAL 116 -12.648  -3.344   2.835
  793   3HG1  VAL 116          3HG1      VAL 116 -11.778  -4.627   3.673
  794   1HG2  VAL 116          1HG2      VAL 116 -12.756  -1.039   4.584
  795   2HG2  VAL 116          2HG2      VAL 116 -12.803  -2.177   5.931
  796   3HG2  VAL 116          3HG2      VAL 116 -11.468  -1.033   5.793
  797    H    HIS 117           H        HIS 117 -10.643  -2.417   7.644
  798    HA   HIS 117           HA       HIS 117 -11.671  -5.001   8.611
  799   1HB   HIS 117          1HB       HIS 117 -10.287  -5.022  10.456
  800   2HB   HIS 117          2HB       HIS 117  -9.236  -4.337   9.228
  801    HD1  HIS 117           HD1      HIS 117 -10.164  -1.347   9.420
  802    HD2  HIS 117           HD2      HIS 117  -9.325  -3.813  12.671
  803    HE1  HIS 117           HE1      HIS 117  -9.563   0.191  11.309
  804    HE2  HIS 117           HE2      HIS 117  -8.834  -1.327  13.182
  805    H    ASP 118           H        ASP 118 -12.909  -2.302   7.858
  806    HA   ASP 118           HA       ASP 118 -14.654  -2.202  10.209
  807   1HB   ASP 118          1HB       ASP 118 -12.800  -0.179   9.657
  808   2HB   ASP 118          2HB       ASP 118 -14.343   0.449   9.081
  809    H    ASP 119           H        ASP 119 -14.210  -0.736   6.991
  810    HA   ASP 119           HA       ASP 119 -17.057  -1.188   6.448
  811   1HB   ASP 119          1HB       ASP 119 -15.646   1.053   6.001
  812   2HB   ASP 119          2HB       ASP 119 -15.316   0.227   4.481
  813    H    LYS 120           H        LYS 120 -16.906  -1.367   3.638
  814    HA   LYS 120           HA       LYS 120 -15.186  -3.708   3.163
  815   1HB   LYS 120          1HB       LYS 120 -17.955  -3.723   2.029
  816   2HB   LYS 120          2HB       LYS 120 -16.880  -5.072   2.362
  817   1HG   LYS 120          1HG       LYS 120 -17.812  -3.548   4.708
  818   2HG   LYS 120          2HG       LYS 120 -19.032  -4.484   3.842
  819   1HD   LYS 120          1HD       LYS 120 -18.188  -6.449   4.537
  820   2HD   LYS 120          2HD       LYS 120 -16.517  -5.918   4.315
  821   1HE   LYS 120          1HE       LYS 120 -16.407  -4.968   6.425
  822   2HE   LYS 120          2HE       LYS 120 -18.158  -4.827   6.564
  823   1HZ   LYS 120          1HZ       LYS 120 -18.295  -7.235   6.779
  824   2HZ   LYS 120          2HZ       LYS 120 -17.308  -6.569   7.987
  825   3HZ   LYS 120          3HZ       LYS 120 -16.606  -7.356   6.660
  826    H    GLU 121           H        GLU 121 -14.850  -4.177   0.893
  827    HA   GLU 121           HA       GLU 121 -14.200  -3.597  -1.194
  828   1HB   GLU 121          1HB       GLU 121 -16.438  -1.607  -1.356
  829   2HB   GLU 121          2HB       GLU 121 -15.794  -2.650  -2.614
  830   1HG   GLU 121          1HG       GLU 121 -17.257  -3.732  -0.229
  831   2HG   GLU 121          2HG       GLU 121 -18.088  -3.209  -1.690
  832    H    ASP 122           H        ASP 122 -12.890  -2.260   0.841
  833    HA   ASP 122           HA       ASP 122 -12.597   0.494  -0.119
  834   1HB   ASP 122          1HB       ASP 122 -12.878  -0.325   2.414
  835   2HB   ASP 122          2HB       ASP 122 -11.128  -0.469   2.282
  836    H    SER 123           H        SER 123 -11.120   0.708  -1.659
  837    HA   SER 123           HA       SER 123  -8.440  -0.261  -1.300
  838   1HB   SER 123          1HB       SER 123 -10.015  -1.312  -3.666
  839   2HB   SER 123          2HB       SER 123  -8.324  -1.643  -3.297
  840    HG   SER 123           HG       SER 123  -9.647  -2.320  -1.150
  841    H    ASP 124           H        ASP 124  -7.236   1.399  -1.933
  842    HA   ASP 124           HA       ASP 124  -8.249   3.443  -3.672
  843   1HB   ASP 124          1HB       ASP 124  -5.848   4.330  -3.431
  844   2HB   ASP 124          2HB       ASP 124  -6.816   4.226  -1.965
  845    H    VAL 125           H        VAL 125  -5.002   2.125  -4.062
  846    HA   VAL 125           HA       VAL 125  -3.862   1.275  -5.824
  847    HB   VAL 125           HB       VAL 125  -6.453   0.074  -6.790
  848   1HG1  VAL 125          1HG1      VAL 125  -4.474  -1.799  -7.019
  849   2HG1  VAL 125          2HG1      VAL 125  -5.023  -0.733  -8.313
  850   3HG1  VAL 125          3HG1      VAL 125  -3.609  -0.298  -7.353
  851   1HG2  VAL 125          1HG2      VAL 125  -6.423  -0.413  -4.461
  852   2HG2  VAL 125          2HG2      VAL 125  -5.865  -1.861  -5.299
  853   3HG2  VAL 125          3HG2      VAL 125  -4.703  -0.803  -4.499
  854    H    LEU 126           H        LEU 126  -3.497   3.358  -6.716
  855    HA   LEU 126           HA       LEU 126  -5.119   4.550  -8.692
  856   1HB   LEU 126          1HB       LEU 126  -2.847   5.256  -7.347
  857   2HB   LEU 126          2HB       LEU 126  -2.219   4.958  -8.955
  858    HG   LEU 126           HG       LEU 126  -4.570   6.559  -9.200
  859   1HD1  LEU 126          1HD1      LEU 126  -4.431   7.455  -7.073
  860   2HD1  LEU 126          2HD1      LEU 126  -2.670   7.363  -7.037
  861   3HD1  LEU 126          3HD1      LEU 126  -3.470   8.590  -8.021
  862   1HD2  LEU 126          1HD2      LEU 126  -3.281   7.623 -10.698
  863   2HD2  LEU 126          2HD2      LEU 126  -1.951   7.828  -9.559
  864   3HD2  LEU 126          3HD2      LEU 126  -2.151   6.299 -10.415
  865    H    THR 127           H        THR 127  -4.430   4.842 -11.000
  866    HA   THR 127           HA       THR 127  -4.281   2.219 -12.172
  867    HB   THR 127           HB       THR 127  -4.218   4.475 -14.028
  868    HG1  THR 127           HG1      THR 127  -6.071   4.397 -11.879
  869   1HG2  THR 127          1HG2      THR 127  -5.260   2.876 -15.186
  870   2HG2  THR 127          2HG2      THR 127  -6.662   3.088 -14.138
  871   3HG2  THR 127          3HG2      THR 127  -5.438   1.884 -13.737
  872    H    LYS 128           H        LYS 128  -1.942   2.293 -11.115
  873    HA   LYS 128           HA       LYS 128   0.227   1.836 -11.550
  874   1HB   LYS 128          1HB       LYS 128  -0.607   0.764 -13.593
  875   2HB   LYS 128          2HB       LYS 128  -0.511   2.300 -14.443
  876   1HG   LYS 128          1HG       LYS 128   1.660   2.049 -14.852
  877   2HG   LYS 128          2HG       LYS 128   2.002   1.580 -13.184
  878   1HD   LYS 128          1HD       LYS 128   2.174  -0.557 -13.774
  879   2HD   LYS 128          2HD       LYS 128   0.571  -0.523 -14.511
  880   1HE   LYS 128          1HE       LYS 128   1.390  -0.239 -16.597
  881   2HE   LYS 128          2HE       LYS 128   2.722   0.778 -16.049
  882   1HZ   LYS 128          1HZ       LYS 128   2.756  -2.087 -15.395
  883   2HZ   LYS 128          2HZ       LYS 128   4.049  -1.021 -15.634
  884   3HZ   LYS 128          3HZ       LYS 128   3.170  -1.600 -16.968
  885    H    CYS 129           H        CYS 129   1.613   3.249 -10.771
  886    HA   CYS 129           HA       CYS 129   1.984   5.787 -12.204
  887   1HB   CYS 129          1HB       CYS 129   3.451   6.074  -9.930
  888   2HB   CYS 129          2HB       CYS 129   1.773   6.578 -10.091
  889    HA   PRO 130           HA       PRO 130   5.727   3.712 -13.579
  890   1HB   PRO 130          1HB       PRO 130   6.101   5.951 -15.379
  891   2HB   PRO 130          2HB       PRO 130   5.645   4.290 -15.762
  892   1HG   PRO 130          1HG       PRO 130   3.954   6.417 -16.047
  893   2HG   PRO 130          2HG       PRO 130   3.405   4.761 -15.734
  894   1HD   PRO 130          1HD       PRO 130   3.726   7.044 -13.821
  895   2HD   PRO 130          2HD       PRO 130   2.419   5.845 -13.937
  896    H    VAL 131           H        VAL 131   6.056   4.954 -11.207
  897    HA   VAL 131           HA       VAL 131   8.070   7.041 -11.546
  898    HB   VAL 131           HB       VAL 131   6.111   7.133  -9.836
  899   1HG1  VAL 131          1HG1      VAL 131   7.705   6.113  -7.689
  900   2HG1  VAL 131          2HG1      VAL 131   6.056   5.689  -8.152
  901   3HG1  VAL 131          3HG1      VAL 131   7.424   4.837  -8.873
  902   1HG2  VAL 131          1HG2      VAL 131   7.278   8.690  -8.599
  903   2HG2  VAL 131          2HG2      VAL 131   8.765   7.743  -8.611
  904   3HG2  VAL 131          3HG2      VAL 131   8.247   8.589 -10.070
  Start of MODEL   19
    1   1H    ARG  14          1H        ARG  14  -6.180 -17.510  13.454
    2    HA   ARG  14           HA       ARG  14  -7.915 -17.161  11.126
    3   1HB   ARG  14          1HB       ARG  14  -8.707 -18.380  13.196
    4   2HB   ARG  14          2HB       ARG  14  -8.630 -16.841  14.045
    5   1HG   ARG  14          1HG       ARG  14 -10.152 -16.054  12.045
    6   2HG   ARG  14          2HG       ARG  14 -10.535 -17.775  11.971
    7   1HD   ARG  14          1HD       ARG  14 -12.155 -16.846  13.398
    8   2HD   ARG  14          2HD       ARG  14 -10.989 -17.625  14.467
    9    HE   ARG  14           HE       ARG  14 -11.177 -14.717  13.986
   10   1HH1  ARG  14          1HH1      ARG  14 -10.261 -17.450  16.005
   11   2HH1  ARG  14          2HH1      ARG  14  -9.761 -16.448  17.338
   12   1HH2  ARG  14          1HH2      ARG  14 -10.540 -13.418  15.758
   13   2HH2  ARG  14          2HH2      ARG  14  -9.929 -14.176  17.204
   14    H    ILE  15           H        ILE  15  -7.624 -15.265  10.147
   15    HA   ILE  15           HA       ILE  15  -7.553 -12.821  11.775
   16    HB   ILE  15           HB       ILE  15  -5.831 -12.075   9.862
   17   1HG1  ILE  15          1HG1      ILE  15  -4.690 -14.765  10.419
   18   2HG1  ILE  15          2HG1      ILE  15  -5.960 -14.672   9.204
   19   1HG2  ILE  15          1HG2      ILE  15  -4.196 -12.042  11.499
   20   2HG2  ILE  15          2HG2      ILE  15  -5.684 -12.113  12.441
   21   3HG2  ILE  15          3HG2      ILE  15  -4.723 -13.571  12.199
   22   1HD1  ILE  15          1HD1      ILE  15  -3.301 -14.306   8.746
   23   2HD1  ILE  15          2HD1      ILE  15  -4.605 -13.735   7.704
   24   3HD1  ILE  15          3HD1      ILE  15  -3.883 -12.649   8.890
   25    HA   PRO  16           HA       PRO  16 -10.136 -10.919   8.654
   26   1HB   PRO  16          1HB       PRO  16  -8.058  -8.842   8.215
   27   2HB   PRO  16          2HB       PRO  16  -9.759  -8.656   8.657
   28   1HG   PRO  16          1HG       PRO  16  -7.831  -8.268  10.455
   29   2HG   PRO  16          2HG       PRO  16  -9.352  -9.059  10.906
   30   1HD   PRO  16          1HD       PRO  16  -6.667 -10.265  10.383
   31   2HD   PRO  16          2HD       PRO  16  -7.877 -10.695  11.610
   32    H    ASN  17           H        ASN  17 -10.155 -10.173   6.341
   33    HA   ASN  17           HA       ASN  17  -8.603 -12.043   4.792
   34   1HB   ASN  17          1HB       ASN  17 -11.085 -11.275   4.444
   35   2HB   ASN  17          2HB       ASN  17 -10.351  -9.953   3.543
   36   1HD2  ASN  17          1HD2      ASN  17 -11.780 -11.154   1.916
   37   2HD2  ASN  17          2HD2      ASN  17 -10.978 -12.364   0.969
   38    H    ILE  18           H        ILE  18  -6.494 -11.360   4.905
   39    HA   ILE  18           HA       ILE  18  -5.879  -8.759   3.684
   40    HB   ILE  18           HB       ILE  18  -3.503  -9.367   4.606
   41   1HG1  ILE  18          1HG1      ILE  18  -4.410 -10.521   6.992
   42   2HG1  ILE  18          2HG1      ILE  18  -5.166 -11.469   5.716
   43   1HG2  ILE  18          1HG2      ILE  18  -3.924  -8.058   6.520
   44   2HG2  ILE  18          2HG2      ILE  18  -5.070  -7.511   5.296
   45   3HG2  ILE  18          3HG2      ILE  18  -5.610  -8.575   6.597
   46   1HD1  ILE  18          1HD1      ILE  18  -2.222 -10.880   5.780
   47   2HD1  ILE  18          2HD1      ILE  18  -2.938 -12.297   6.547
   48   3HD1  ILE  18          3HD1      ILE  18  -3.073 -12.075   4.802
   49    H    ALA  19           H        ALA  19  -4.412  -8.615   2.018
   50    HA   ALA  19           HA       ALA  19  -3.596 -11.154   0.755
   51   1HB   ALA  19          1HB       ALA  19  -4.710  -8.651  -0.448
   52   2HB   ALA  19          2HB       ALA  19  -3.621  -9.670  -1.388
   53   3HB   ALA  19          3HB       ALA  19  -5.134 -10.332  -0.771
   54    H    THR  20           H        THR  20  -1.479 -11.402   0.937
   55    HA   THR  20           HA       THR  20   0.222  -9.181   1.582
   56    HB   THR  20           HB       THR  20   1.235 -11.939   0.985
   57    HG1  THR  20           HG1      THR  20  -0.270 -11.065   3.254
   58   1HG2  THR  20          1HG2      THR  20   2.510  -9.712   1.803
   59   2HG2  THR  20          2HG2      THR  20   3.027 -11.340   2.238
   60   3HG2  THR  20          3HG2      THR  20   2.057 -10.393   3.365
   61    H    TYR  21           H        TYR  21   0.507  -7.848  -0.138
   62    HA   TYR  21           HA       TYR  21   1.285  -8.720  -2.757
   63   1HB   TYR  21          1HB       TYR  21   1.642  -6.056  -1.357
   64   2HB   TYR  21          2HB       TYR  21   2.016  -6.341  -3.046
   65    HD1  TYR  21           HD1      TYR  21   0.573  -4.526  -3.707
   66    HD2  TYR  21           HD2      TYR  21  -0.995  -7.863  -1.584
   67    HE1  TYR  21           HE1      TYR  21  -1.701  -3.824  -4.302
   68    HE2  TYR  21           HE2      TYR  21  -3.277  -7.172  -2.183
   69    HH   TYR  21           HH       TYR  21  -4.146  -4.305  -3.033
   70    H    THR  22           H        THR  22   3.197  -9.737  -3.108
   71    HA   THR  22           HA       THR  22   5.462  -8.922  -1.405
   72    HB   THR  22           HB       THR  22   5.681 -11.482  -2.825
   73    HG1  THR  22           HG1      THR  22   3.413 -10.968  -1.573
   74   1HG2  THR  22          1HG2      THR  22   7.125 -10.316  -0.926
   75   2HG2  THR  22          2HG2      THR  22   6.976 -12.071  -1.037
   76   3HG2  THR  22          3HG2      THR  22   5.981 -11.174   0.111
   77    H    GLY  23           H        GLY  23   5.704  -7.181  -3.016
   78   1HA   GLY  23          1HA       GLY  23   6.734  -8.022  -5.623
   79   2HA   GLY  23          2HA       GLY  23   6.352  -6.374  -5.139
   80    H    THR  24           H        THR  24   8.721  -7.019  -6.444
   81    HA   THR  24           HA       THR  24  10.744  -6.901  -4.317
   82    HB   THR  24           HB       THR  24  11.787  -7.225  -7.016
   83    HG1  THR  24           HG1      THR  24   9.792  -8.996  -6.051
   84   1HG2  THR  24          1HG2      THR  24  12.700  -7.738  -4.565
   85   2HG2  THR  24          2HG2      THR  24  13.254  -8.632  -5.981
   86   3HG2  THR  24          3HG2      THR  24  12.018  -9.324  -4.928
   87    H    ILE  25           H        ILE  25  11.747  -5.057  -3.954
   88    HA   ILE  25           HA       ILE  25  11.488  -2.884  -5.924
   89    HB   ILE  25           HB       ILE  25  10.440  -2.489  -3.707
   90   1HG1  ILE  25          1HG1      ILE  25  12.822  -0.723  -4.305
   91   2HG1  ILE  25          2HG1      ILE  25  11.233  -0.594  -5.048
   92   1HG2  ILE  25          1HG2      ILE  25  13.077  -3.331  -2.779
   93   2HG2  ILE  25          2HG2      ILE  25  12.471  -1.871  -1.995
   94   3HG2  ILE  25          3HG2      ILE  25  11.517  -3.355  -1.953
   95   1HD1  ILE  25          1HD1      ILE  25  11.292  -0.463  -2.108
   96   2HD1  ILE  25          2HD1      ILE  25  12.033   0.887  -2.965
   97   3HD1  ILE  25          3HD1      ILE  25  10.349   0.465  -3.274
   98    H    GLN  26           H        GLN  26  13.313  -1.508  -6.275
   99    HA   GLN  26           HA       GLN  26  15.807  -2.935  -6.313
  100   1HB   GLN  26          1HB       GLN  26  14.723  -1.106  -7.975
  101   2HB   GLN  26          2HB       GLN  26  15.745  -0.054  -7.010
  102   1HG   GLN  26          1HG       GLN  26  16.681  -1.072  -9.185
  103   2HG   GLN  26          2HG       GLN  26  17.694  -1.047  -7.742
  104   1HE2  GLN  26          1HE2      GLN  26  18.789  -2.850  -7.469
  105   2HE2  GLN  26          2HE2      GLN  26  18.260  -4.441  -7.903
  106    H    GLY  27           H        GLY  27  17.820  -1.423  -5.770
  107   1HA   GLY  27          1HA       GLY  27  17.733  -1.166  -2.928
  108   2HA   GLY  27          2HA       GLY  27  19.119  -0.863  -3.961
  109    H    LYS  28           H        LYS  28  17.264   0.529  -1.767
  110    HA   LYS  28           HA       LYS  28  16.822   2.644  -1.085
  111   1HB   LYS  28          1HB       LYS  28  18.833   3.736  -3.016
  112   2HB   LYS  28          2HB       LYS  28  18.505   4.219  -1.359
  113   1HG   LYS  28          1HG       LYS  28  19.523   1.483  -1.678
  114   2HG   LYS  28          2HG       LYS  28  20.643   2.765  -2.137
  115   1HD   LYS  28          1HD       LYS  28  20.167   3.835   0.087
  116   2HD   LYS  28          2HD       LYS  28  19.286   2.369   0.524
  117   1HE   LYS  28          1HE       LYS  28  21.324   1.799   1.350
  118   2HE   LYS  28          2HE       LYS  28  21.548   1.241  -0.308
  119   1HZ   LYS  28          1HZ       LYS  28  22.257   3.901  -0.326
  120   2HZ   LYS  28          2HZ       LYS  28  23.308   2.569  -0.379
  121   3HZ   LYS  28          3HZ       LYS  28  22.924   3.286   1.105
  122    H    GLY  29           H        GLY  29  14.980   1.843  -2.815
  123   1HA   GLY  29          1HA       GLY  29  14.580   4.160  -4.608
  124   2HA   GLY  29          2HA       GLY  29  13.997   2.541  -4.970
  125    H    GLU  30           H        GLU  30  12.144   4.323  -5.185
  126    HA   GLU  30           HA       GLU  30  10.363   3.733  -2.972
  127   1HB   GLU  30          1HB       GLU  30   9.618   6.230  -3.041
  128   2HB   GLU  30          2HB       GLU  30  11.004   5.768  -2.067
  129   1HG   GLU  30          1HG       GLU  30  12.500   6.801  -3.450
  130   2HG   GLU  30          2HG       GLU  30  11.461   6.652  -4.866
  131    H    VAL  31           H        VAL  31   8.620   2.927  -3.929
  132    HA   VAL  31           HA       VAL  31   7.931   3.928  -6.627
  133    HB   VAL  31           HB       VAL  31   8.814   1.847  -7.134
  134   1HG1  VAL  31          1HG1      VAL  31   8.902  -0.052  -5.772
  135   2HG1  VAL  31          2HG1      VAL  31   9.127   1.304  -4.666
  136   3HG1  VAL  31          3HG1      VAL  31   7.561   0.498  -4.766
  137   1HG2  VAL  31          1HG2      VAL  31   7.027   1.077  -8.197
  138   2HG2  VAL  31          2HG2      VAL  31   6.508   0.274  -6.714
  139   3HG2  VAL  31          3HG2      VAL  31   5.965   1.915  -7.064
  140    H    CYS  32           H        CYS  32   5.847   4.063  -7.193
  141    HA   CYS  32           HA       CYS  32   3.935   4.368  -5.045
  142   1HB   CYS  32          1HB       CYS  32   2.870   4.842  -7.674
  143   2HB   CYS  32          2HB       CYS  32   3.188   6.000  -6.386
  144    H    ILE  33           H        ILE  33   2.675   2.711  -4.450
  145    HA   ILE  33           HA       ILE  33   1.702   0.867  -6.537
  146    HB   ILE  33           HB       ILE  33   2.275   0.103  -3.669
  147   1HG1  ILE  33          1HG1      ILE  33   4.316   0.678  -5.126
  148   2HG1  ILE  33          2HG1      ILE  33   4.314  -0.879  -4.308
  149   1HG2  ILE  33          1HG2      ILE  33   1.357  -1.886  -4.094
  150   2HG2  ILE  33          2HG2      ILE  33   0.636  -1.109  -5.505
  151   3HG2  ILE  33          3HG2      ILE  33   2.142  -2.011  -5.669
  152   1HD1  ILE  33          1HD1      ILE  33   3.518  -1.905  -6.441
  153   2HD1  ILE  33          2HD1      ILE  33   3.764  -0.340  -7.214
  154   3HD1  ILE  33          3HD1      ILE  33   5.133  -1.203  -6.515
  155    H    ILE  34           H        ILE  34  -0.477   0.486  -6.523
  156    HA   ILE  34           HA       ILE  34  -1.964   0.689  -4.069
  157    HB   ILE  34           HB       ILE  34  -2.216   2.983  -4.693
  158   1HG1  ILE  34          1HG1      ILE  34  -4.682   3.123  -5.160
  159   2HG1  ILE  34          2HG1      ILE  34  -4.676   1.384  -5.428
  160   1HG2  ILE  34          1HG2      ILE  34  -3.512   2.516  -7.292
  161   2HG2  ILE  34          2HG2      ILE  34  -2.444   3.818  -6.765
  162   3HG2  ILE  34          3HG2      ILE  34  -1.767   2.258  -7.233
  163   1HD1  ILE  34          1HD1      ILE  34  -5.389   2.297  -3.133
  164   2HD1  ILE  34          2HD1      ILE  34  -4.289   0.919  -3.194
  165   3HD1  ILE  34          3HD1      ILE  34  -3.661   2.534  -2.864
  166    H    GLY  35           H        GLY  35  -2.044  -1.527  -4.476
  167   1HA   GLY  35          1HA       GLY  35  -3.423  -3.330  -5.095
  168   2HA   GLY  35          2HA       GLY  35  -4.124  -2.324  -6.358
  169    H    ASN  36           H        ASN  36  -3.135  -5.009  -6.665
  170    HA   ASN  36           HA       ASN  36  -0.671  -4.633  -8.199
  171   1HB   ASN  36          1HB       ASN  36  -1.707  -6.756  -6.606
  172   2HB   ASN  36          2HB       ASN  36  -1.571  -7.341  -8.262
  173   1HD2  ASN  36          1HD2      ASN  36  -0.039  -8.443  -6.307
  174   2HD2  ASN  36          2HD2      ASN  36   1.617  -7.987  -6.534
  175    H    LYS  37           H        LYS  37  -0.502  -5.394 -10.378
  176    HA   LYS  37           HA       LYS  37  -2.914  -4.963 -11.908
  177   1HB   LYS  37          1HB       LYS  37  -0.299  -4.448 -12.401
  178   2HB   LYS  37          2HB       LYS  37  -0.488  -5.964 -13.274
  179   1HG   LYS  37          1HG       LYS  37  -0.905  -4.265 -14.837
  180   2HG   LYS  37          2HG       LYS  37  -2.488  -4.910 -14.406
  181   1HD   LYS  37          1HD       LYS  37  -2.218  -2.933 -12.566
  182   2HD   LYS  37          2HD       LYS  37  -1.331  -2.247 -13.927
  183   1HE   LYS  37          1HE       LYS  37  -3.239  -1.715 -14.923
  184   2HE   LYS  37          2HE       LYS  37  -3.725  -3.409 -14.920
  185   1HZ   LYS  37          1HZ       LYS  37  -4.055  -2.243 -12.345
  186   2HZ   LYS  37          2HZ       LYS  37  -5.200  -3.015 -13.328
  187   3HZ   LYS  37          3HZ       LYS  37  -4.898  -1.354 -13.520
  188    H    GLU  38           H        GLU  38  -3.696  -6.948 -10.566
  189    HA   GLU  38           HA       GLU  38  -3.121  -9.431 -12.034
  190   1HB   GLU  38          1HB       GLU  38  -4.410  -9.017  -9.330
  191   2HB   GLU  38          2HB       GLU  38  -4.150 -10.579 -10.094
  192   1HG   GLU  38          1HG       GLU  38  -1.653  -9.461 -10.150
  193   2HG   GLU  38          2HG       GLU  38  -2.303  -8.878  -8.620
  194    H    GLY  39           H        GLY  39  -5.663  -7.218 -11.077
  195   1HA   GLY  39          1HA       GLY  39  -7.765  -6.932 -12.017
  196   2HA   GLY  39          2HA       GLY  39  -7.433  -8.294 -13.081
  197    H    LYS  40           H        LYS  40  -6.845  -8.913  -9.804
  198    HA   LYS  40           HA       LYS  40  -9.521  -9.983  -9.328
  199   1HB   LYS  40          1HB       LYS  40  -8.066 -11.773 -10.338
  200   2HB   LYS  40          2HB       LYS  40  -7.015 -11.632  -8.936
  201   1HG   LYS  40          1HG       LYS  40  -8.512 -13.519  -8.709
  202   2HG   LYS  40          2HG       LYS  40  -8.862 -12.301  -7.483
  203   1HD   LYS  40          1HD       LYS  40 -10.993 -12.563  -8.145
  204   2HD   LYS  40          2HD       LYS  40 -10.522 -11.532  -9.498
  205   1HE   LYS  40          1HE       LYS  40 -10.658 -13.214 -10.980
  206   2HE   LYS  40          2HE       LYS  40  -9.907 -14.369  -9.880
  207   1HZ   LYS  40          1HZ       LYS  40 -11.879 -15.139  -9.236
  208   2HZ   LYS  40          2HZ       LYS  40 -12.524 -14.349 -10.592
  209   3HZ   LYS  40          3HZ       LYS  40 -12.556 -13.592  -9.075
  210    H    THR  41           H        THR  41  -6.332 -10.260  -7.767
  211    HA   THR  41           HA       THR  41  -7.369  -9.723  -5.176
  212    HB   THR  41           HB       THR  41  -4.515  -9.305  -5.402
  213    HG1  THR  41           HG1      THR  41  -4.178 -11.561  -6.176
  214   1HG2  THR  41          1HG2      THR  41  -6.177 -11.517  -4.183
  215   2HG2  THR  41          2HG2      THR  41  -5.636 -10.052  -3.365
  216   3HG2  THR  41          3HG2      THR  41  -4.458 -11.254  -3.893
  217    H    ARG  42           H        ARG  42  -8.414  -7.676  -5.410
  218    HA   ARG  42           HA       ARG  42  -6.574  -5.406  -5.720
  219   1HB   ARG  42          1HB       ARG  42  -9.086  -5.893  -6.859
  220   2HB   ARG  42          2HB       ARG  42  -9.363  -4.655  -5.642
  221   1HG   ARG  42          1HG       ARG  42  -7.159  -4.410  -7.662
  222   2HG   ARG  42          2HG       ARG  42  -8.810  -3.899  -8.014
  223   1HD   ARG  42          1HD       ARG  42  -7.216  -2.916  -5.649
  224   2HD   ARG  42          2HD       ARG  42  -7.292  -2.079  -7.199
  225    HE   ARG  42           HE       ARG  42  -9.388  -2.268  -5.203
  226   1HH1  ARG  42          1HH1      ARG  42  -8.486  -1.341  -8.458
  227   2HH1  ARG  42          2HH1      ARG  42  -9.908  -0.360  -8.703
  228   1HH2  ARG  42          1HH2      ARG  42 -11.243  -0.957  -5.534
  229   2HH2  ARG  42          2HH2      ARG  42 -11.466  -0.159  -7.060
  230    H    GLY  43           H        GLY  43  -5.764  -5.298  -3.663
  231   1HA   GLY  43          1HA       GLY  43  -7.541  -4.985  -1.395
  232   2HA   GLY  43          2HA       GLY  43  -5.788  -4.841  -1.382
  233    H    GLY  44           H        GLY  44  -8.785  -3.182  -2.156
  234   1HA   GLY  44          1HA       GLY  44  -7.305  -0.643  -2.346
  235   2HA   GLY  44          2HA       GLY  44  -8.913  -0.930  -2.999
  236    H    GLU  45           H        GLU  45  -7.129   0.281  -0.427
  237    HA   GLU  45           HA       GLU  45  -9.421   1.325   0.876
  238   1HB   GLU  45          1HB       GLU  45  -8.906  -1.226   1.682
  239   2HB   GLU  45          2HB       GLU  45  -7.911  -0.318   2.813
  240   1HG   GLU  45          1HG       GLU  45  -9.766   0.828   3.689
  241   2HG   GLU  45          2HG       GLU  45 -10.804   0.327   2.354
  242    H    LEU  46           H        LEU  46  -8.219   1.787   3.403
  243    HA   LEU  46           HA       LEU  46  -5.755   3.213   2.674
  244   1HB   LEU  46          1HB       LEU  46  -8.188   4.134   4.016
  245   2HB   LEU  46          2HB       LEU  46  -6.728   4.501   4.912
  246    HG   LEU  46           HG       LEU  46  -6.832   6.396   3.669
  247   1HD1  LEU  46          1HD1      LEU  46  -5.410   6.297   1.710
  248   2HD1  LEU  46          2HD1      LEU  46  -4.765   5.266   2.990
  249   3HD1  LEU  46          3HD1      LEU  46  -5.618   4.547   1.623
  250   1HD2  LEU  46          1HD2      LEU  46  -7.969   6.673   1.612
  251   2HD2  LEU  46          2HD2      LEU  46  -7.999   4.934   1.314
  252   3HD2  LEU  46          3HD2      LEU  46  -8.977   5.624   2.610
  253    H    TYR  47           H        TYR  47  -6.283   0.502   3.770
  254    HA   TYR  47           HA       TYR  47  -4.656   0.757   6.209
  255   1HB   TYR  47          1HB       TYR  47  -6.809  -0.107   6.868
  256   2HB   TYR  47          2HB       TYR  47  -6.788  -1.293   5.566
  257    HD1  TYR  47           HD1      TYR  47  -6.496  -3.456   6.322
  258    HD2  TYR  47           HD2      TYR  47  -4.436  -0.313   8.315
  259    HE1  TYR  47           HE1      TYR  47  -5.466  -5.101   7.838
  260    HE2  TYR  47           HE2      TYR  47  -3.400  -1.944   9.833
  261    HH   TYR  47           HH       TYR  47  -4.115  -5.428   9.565
  262    H    ALA  48           H        ALA  48  -2.691  -0.003   5.977
  263    HA   ALA  48           HA       ALA  48  -2.217  -2.420   4.430
  264   1HB   ALA  48          1HB       ALA  48  -1.041   0.257   3.726
  265   2HB   ALA  48          2HB       ALA  48  -0.260  -1.256   3.272
  266   3HB   ALA  48          3HB       ALA  48  -1.879  -0.887   2.677
  267    H    VAL  49           H        VAL  49  -1.136  -3.665   5.835
  268    HA   VAL  49           HA       VAL  49   0.757  -2.367   7.654
  269    HB   VAL  49           HB       VAL  49  -0.625  -3.744   8.937
  270   1HG1  VAL  49          1HG1      VAL  49  -1.892  -5.225   7.893
  271   2HG1  VAL  49          2HG1      VAL  49  -0.743  -5.393   6.565
  272   3HG1  VAL  49          3HG1      VAL  49  -0.539  -6.347   8.035
  273   1HG2  VAL  49          1HG2      VAL  49   2.088  -4.656   8.477
  274   2HG2  VAL  49          2HG2      VAL  49   1.218  -4.399   9.988
  275   3HG2  VAL  49          3HG2      VAL  49   1.048  -5.925   9.122
  276    H    LEU  50           H        LEU  50   2.696  -2.151   6.885
  277    HA   LEU  50           HA       LEU  50   3.662  -3.844   4.749
  278   1HB   LEU  50          1HB       LEU  50   3.944  -1.246   5.109
  279   2HB   LEU  50          2HB       LEU  50   5.323  -1.734   6.069
  280    HG   LEU  50           HG       LEU  50   5.472  -1.144   3.458
  281   1HD1  LEU  50          1HD1      LEU  50   7.365  -3.198   3.824
  282   2HD1  LEU  50          2HD1      LEU  50   7.585  -1.460   4.024
  283   3HD1  LEU  50          3HD1      LEU  50   7.100  -2.449   5.399
  284   1HD2  LEU  50          1HD2      LEU  50   5.170  -2.852   2.018
  285   2HD2  LEU  50          2HD2      LEU  50   5.622  -4.078   3.201
  286   3HD2  LEU  50          3HD2      LEU  50   4.005  -3.376   3.234
  287    H    HIS  51           H        HIS  51   4.884  -5.574   5.018
  288    HA   HIS  51           HA       HIS  51   6.628  -5.731   7.397
  289   1HB   HIS  51          1HB       HIS  51   5.947  -8.167   5.799
  290   2HB   HIS  51          2HB       HIS  51   6.426  -8.051   7.483
  291    HD1  HIS  51           HD1      HIS  51   4.509  -7.417   9.211
  292    HD2  HIS  51           HD2      HIS  51   3.249  -8.206   5.324
  293    HE1  HIS  51           HE1      HIS  51   2.033  -7.854   9.363
  294    HE2  HIS  51           HE2      HIS  51   1.358  -8.575   7.044
  295    H    SER  52           H        SER  52   8.680  -6.993   6.927
  296    HA   SER  52           HA       SER  52   9.426  -7.031   4.106
  297   1HB   SER  52          1HB       SER  52  11.142  -5.632   6.168
  298   2HB   SER  52          2HB       SER  52  11.461  -5.767   4.437
  299    HG   SER  52           HG       SER  52   9.129  -4.711   4.512
  300    H    THR  53           H        THR  53   9.550  -9.251   4.171
  301    HA   THR  53           HA       THR  53  11.390 -10.416   6.123
  302    HB   THR  53           HB       THR  53   9.212 -11.468   6.068
  303    HG1  THR  53           HG1      THR  53  11.473 -12.911   5.239
  304   1HG2  THR  53          1HG2      THR  53   8.650 -10.925   3.710
  305   2HG2  THR  53          2HG2      THR  53   8.310 -12.599   4.146
  306   3HG2  THR  53          3HG2      THR  53   9.741 -12.208   3.193
  307    H    ASN  54           H        ASN  54  13.193  -9.474   5.020
  308    HA   ASN  54           HA       ASN  54  14.502 -11.288   3.294
  309   1HB   ASN  54          1HB       ASN  54  14.356 -10.348   1.220
  310   2HB   ASN  54          2HB       ASN  54  12.822  -9.755   1.845
  311   1HD2  ASN  54          1HD2      ASN  54  12.871  -7.571   2.827
  312   2HD2  ASN  54          2HD2      ASN  54  13.925  -6.396   2.131
  313    H    VAL  55           H        VAL  55  16.569 -10.014   2.352
  314    HA   VAL  55           HA       VAL  55  18.193  -9.347   4.490
  315    HB   VAL  55           HB       VAL  55  18.813  -8.007   1.916
  316   1HG1  VAL  55          1HG1      VAL  55  21.030  -9.085   2.389
  317   2HG1  VAL  55          2HG1      VAL  55  20.466  -7.942   3.612
  318   3HG1  VAL  55          3HG1      VAL  55  20.338  -9.679   3.900
  319   1HG2  VAL  55          1HG2      VAL  55  18.998 -11.006   2.144
  320   2HG2  VAL  55          2HG2      VAL  55  17.683 -10.179   1.312
  321   3HG2  VAL  55          3HG2      VAL  55  19.341 -10.002   0.735
  322    H    ASN  56           H        ASN  56  18.562  -7.588   5.650
  323    HA   ASN  56           HA       ASN  56  18.399  -5.500   6.485
  324   1HB   ASN  56          1HB       ASN  56  19.778  -5.302   4.252
  325   2HB   ASN  56          2HB       ASN  56  18.368  -4.390   3.709
  326   1HD2  ASN  56          1HD2      ASN  56  18.282  -2.342   4.179
  327   2HD2  ASN  56          2HD2      ASN  56  19.245  -1.527   5.362
  328    H    ALA  57           H        ALA  57  16.143  -6.194   7.008
  329    HA   ALA  57           HA       ALA  57  13.940  -5.199   5.531
  330   1HB   ALA  57          1HB       ALA  57  12.857  -5.442   7.929
  331   2HB   ALA  57          2HB       ALA  57  13.286  -6.852   6.958
  332   3HB   ALA  57          3HB       ALA  57  14.356  -6.313   8.252
  333    H    ASP  58           H        ASP  58  15.085  -3.078   5.182
  334    HA   ASP  58           HA       ASP  58  14.210  -1.143   7.227
  335   1HB   ASP  58          1HB       ASP  58  16.758  -1.414   6.431
  336   2HB   ASP  58          2HB       ASP  58  16.191  -0.348   5.149
  337    H    MET  59           H        MET  59  12.108  -1.332   6.213
  338    HA   MET  59           HA       MET  59  11.941   0.212   3.722
  339   1HB   MET  59          1HB       MET  59  11.362  -2.472   3.908
  340   2HB   MET  59          2HB       MET  59   9.785  -1.725   4.127
  341   1HG   MET  59          1HG       MET  59   9.796  -0.777   2.022
  342   2HG   MET  59          2HG       MET  59  11.549  -0.878   1.877
  343   1HE   MET  59          1HE       MET  59  11.945  -4.824   1.530
  344   2HE   MET  59          2HE       MET  59  12.848  -3.321   1.355
  345   3HE   MET  59          3HE       MET  59  12.105  -3.726   2.902
  346    H    THR  60           H        THR  60  10.649   1.904   3.843
  347    HA   THR  60           HA       THR  60   8.706   2.024   6.053
  348    HB   THR  60           HB       THR  60   9.085   4.634   5.439
  349    HG1  THR  60           HG1      THR  60  10.824   3.912   3.964
  350   1HG2  THR  60          1HG2      THR  60   9.402   4.457   7.648
  351   2HG2  THR  60          2HG2      THR  60  11.101   4.148   7.290
  352   3HG2  THR  60          3HG2      THR  60   9.985   2.801   7.498
  353    H    LEU  61           H        LEU  61   6.650   2.124   5.430
  354    HA   LEU  61           HA       LEU  61   6.029   2.783   2.652
  355   1HB   LEU  61          1HB       LEU  61   5.073   0.741   3.755
  356   2HB   LEU  61          2HB       LEU  61   4.180   1.799   4.829
  357    HG   LEU  61           HG       LEU  61   3.814   2.148   1.889
  358   1HD1  LEU  61          1HD1      LEU  61   3.513  -0.129   1.832
  359   2HD1  LEU  61          2HD1      LEU  61   2.941  -0.203   3.501
  360   3HD1  LEU  61          3HD1      LEU  61   1.887   0.428   2.234
  361   1HD2  LEU  61          1HD2      LEU  61   1.662   2.108   3.956
  362   2HD2  LEU  61          2HD2      LEU  61   2.750   3.493   3.865
  363   3HD2  LEU  61          3HD2      LEU  61   1.775   3.045   2.465
  364    H    ILE  62           H        ILE  62   5.674   4.859   2.229
  365    HA   ILE  62           HA       ILE  62   4.340   6.465   4.295
  366    HB   ILE  62           HB       ILE  62   6.472   7.406   3.640
  367   1HG1  ILE  62          1HG1      ILE  62   5.017   9.423   2.218
  368   2HG1  ILE  62          2HG1      ILE  62   3.994   8.760   3.487
  369   1HG2  ILE  62          1HG2      ILE  62   5.509   6.869   0.914
  370   2HG2  ILE  62          2HG2      ILE  62   6.408   8.369   1.143
  371   3HG2  ILE  62          3HG2      ILE  62   7.141   6.825   1.577
  372   1HD1  ILE  62          1HD1      ILE  62   5.573  10.781   3.960
  373   2HD1  ILE  62          2HD1      ILE  62   5.357   9.510   5.164
  374   3HD1  ILE  62          3HD1      ILE  62   6.794   9.523   4.144
  375    H    LEU  63           H        LEU  63   2.366   6.961   4.079
  376    HA   LEU  63           HA       LEU  63   0.898   6.158   1.739
  377   1HB   LEU  63          1HB       LEU  63  -0.178   5.659   3.757
  378   2HB   LEU  63          2HB       LEU  63   0.207   7.218   4.457
  379    HG   LEU  63           HG       LEU  63  -1.463   8.298   3.115
  380   1HD1  LEU  63          1HD1      LEU  63  -3.000   6.384   1.919
  381   2HD1  LEU  63          2HD1      LEU  63  -1.836   7.416   1.088
  382   3HD1  LEU  63          3HD1      LEU  63  -1.367   5.795   1.602
  383   1HD2  LEU  63          1HD2      LEU  63  -1.962   6.587   5.179
  384   2HD2  LEU  63          2HD2      LEU  63  -3.142   7.697   4.477
  385   3HD2  LEU  63          3HD2      LEU  63  -3.094   6.012   3.952
  386    H    LEU  64           H        LEU  64   0.260   7.419   0.143
  387    HA   LEU  64           HA       LEU  64   1.138  10.231   0.257
  388   1HB   LEU  64          1HB       LEU  64   1.821   7.987  -1.449
  389   2HB   LEU  64          2HB       LEU  64   1.246   9.347  -2.381
  390    HG   LEU  64           HG       LEU  64   2.993  10.762  -1.527
  391   1HD1  LEU  64          1HD1      LEU  64   4.116   8.482   0.014
  392   2HD1  LEU  64          2HD1      LEU  64   4.452  10.207   0.156
  393   3HD1  LEU  64          3HD1      LEU  64   2.917   9.557   0.731
  394   1HD2  LEU  64          1HD2      LEU  64   3.533   8.262  -2.879
  395   2HD2  LEU  64          2HD2      LEU  64   4.158   9.876  -3.201
  396   3HD2  LEU  64          3HD2      LEU  64   4.938   8.855  -1.995
  397    H    ARG  65           H        ARG  65  -0.040  11.765  -0.911
  398    HA   ARG  65           HA       ARG  65  -2.133  11.072  -2.666
  399   1HB   ARG  65          1HB       ARG  65  -4.041  11.481  -1.487
  400   2HB   ARG  65          2HB       ARG  65  -3.048  10.856  -0.187
  401   1HG   ARG  65          1HG       ARG  65  -2.685  13.024   0.701
  402   2HG   ARG  65          2HG       ARG  65  -3.370  13.797  -0.729
  403   1HD   ARG  65          1HD       ARG  65  -5.349  12.054   0.229
  404   2HD   ARG  65          2HD       ARG  65  -4.686  12.861   1.650
  405    HE   ARG  65           HE       ARG  65  -5.130  14.831  -0.256
  406   1HH1  ARG  65          1HH1      ARG  65  -6.982  12.591   1.692
  407   2HH1  ARG  65          2HH1      ARG  65  -8.448  13.525   1.624
  408   1HH2  ARG  65          1HH2      ARG  65  -7.037  16.088  -0.342
  409   2HH2  ARG  65          2HH2      ARG  65  -8.477  15.526   0.465
  410    H    ASN  66           H        ASN  66  -1.544  12.389  -4.186
  411    HA   ASN  66           HA       ASN  66  -1.486  15.251  -3.670
  412   1HB   ASN  66          1HB       ASN  66   0.604  15.573  -4.448
  413   2HB   ASN  66          2HB       ASN  66   0.835  13.835  -4.299
  414   1HD2  ASN  66          1HD2      ASN  66   0.473  12.544  -6.131
  415   2HD2  ASN  66          2HD2      ASN  66   0.624  13.161  -7.732
  416    H    VAL  67           H        VAL  67  -1.620  16.382  -5.834
  417    HA   VAL  67           HA       VAL  67  -4.009  15.996  -6.963
  418    HB   VAL  67           HB       VAL  67  -1.610  16.989  -8.441
  419   1HG1  VAL  67          1HG1      VAL  67  -3.627  18.621  -9.200
  420   2HG1  VAL  67          2HG1      VAL  67  -3.180  17.149 -10.064
  421   3HG1  VAL  67          3HG1      VAL  67  -4.522  17.126  -8.919
  422   1HG2  VAL  67          1HG2      VAL  67  -1.498  18.804  -7.146
  423   2HG2  VAL  67          2HG2      VAL  67  -3.247  19.035  -7.176
  424   3HG2  VAL  67          3HG2      VAL  67  -2.523  17.928  -6.010
  425    H    GLY  68           H        GLY  68  -0.987  14.767  -8.338
  426   1HA   GLY  68          1HA       GLY  68  -1.541  13.901 -10.781
  427   2HA   GLY  68          2HA       GLY  68  -0.652  12.878  -9.669
  428    H    GLY  69           H        GLY  69  -2.470  11.977  -7.963
  429   1HA   GLY  69          1HA       GLY  69  -5.013  11.387  -8.876
  430   2HA   GLY  69          2HA       GLY  69  -3.976  10.056  -9.370
  431    H    ASN  70           H        ASN  70  -3.696  12.029  -6.480
  432    HA   ASN  70           HA       ASN  70  -3.563  11.538  -4.285
  433   1HB   ASN  70          1HB       ASN  70  -5.531   9.533  -5.228
  434   2HB   ASN  70          2HB       ASN  70  -4.777   9.215  -3.669
  435   1HD2  ASN  70          1HD2      ASN  70  -7.533   9.823  -4.179
  436   2HD2  ASN  70          2HD2      ASN  70  -7.891  11.291  -3.339
  437    H    GLY  71           H        GLY  71  -1.464  11.229  -3.956
  438   1HA   GLY  71          1HA       GLY  71  -0.182   8.852  -3.443
  439   2HA   GLY  71          2HA       GLY  71  -0.025   9.083  -5.157
  440    H    TRP  72           H        TRP  72   1.841   9.593  -5.509
  441    HA   TRP  72           HA       TRP  72   3.982  10.432  -4.311
  442   1HB   TRP  72          1HB       TRP  72   3.538  11.941  -6.788
  443   2HB   TRP  72          2HB       TRP  72   4.723  10.689  -6.435
  444    HD1  TRP  72           HD1      TRP  72   4.443   8.663  -7.931
  445    HE1  TRP  72           HE1      TRP  72   2.539   7.490  -9.200
  446    HE3  TRP  72           HE3      TRP  72   0.457  11.451  -6.256
  447    HZ2  TRP  72           HZ2      TRP  72  -0.270   7.660  -9.407
  448    HZ3  TRP  72           HZ3      TRP  72  -1.752  10.838  -6.972
  449    HH2  TRP  72           HH2      TRP  72  -2.142   9.000  -8.510
  450    H    GLY  73           H        GLY  73   3.909  11.811  -2.645
  451   1HA   GLY  73          1HA       GLY  73   4.020  14.375  -2.263
  452   2HA   GLY  73          2HA       GLY  73   2.341  14.284  -2.808
  453    H    GLU  74           H        GLU  74   4.457  13.860  -0.157
  454    HA   GLU  74           HA       GLU  74   3.181  11.559   0.925
  455   1HB   GLU  74          1HB       GLU  74   5.099  13.281   2.458
  456   2HB   GLU  74          2HB       GLU  74   4.850  11.545   2.563
  457   1HG   GLU  74          1HG       GLU  74   6.579  11.273   1.218
  458   2HG   GLU  74          2HG       GLU  74   5.635  12.017  -0.073
  459    H    ILE  75           H        ILE  75   2.085  11.253   2.804
  460    HA   ILE  75           HA       ILE  75   1.345  13.625   4.380
  461    HB   ILE  75           HB       ILE  75  -0.561  11.402   4.555
  462   1HG1  ILE  75          1HG1      ILE  75  -1.153  13.090   2.216
  463   2HG1  ILE  75          2HG1      ILE  75   0.161  11.937   1.981
  464   1HG2  ILE  75          1HG2      ILE  75  -2.167  13.287   4.514
  465   2HG2  ILE  75          2HG2      ILE  75  -0.920  13.437   5.751
  466   3HG2  ILE  75          3HG2      ILE  75  -0.811  14.385   4.269
  467   1HD1  ILE  75          1HD1      ILE  75  -1.493  10.537   1.428
  468   2HD1  ILE  75          2HD1      ILE  75  -1.697  10.370   3.172
  469   3HD1  ILE  75          3HD1      ILE  75  -2.718  11.488   2.267
  470    H    LYS  76           H        LYS  76   0.816  10.111   4.698
  471    HA   LYS  76           HA       LYS  76   1.776  10.350   7.468
  472   1HB   LYS  76          1HB       LYS  76  -0.544   9.249   6.456
  473   2HB   LYS  76          2HB       LYS  76   0.466   7.840   6.752
  474   1HG   LYS  76          1HG       LYS  76   0.825   9.303   9.029
  475   2HG   LYS  76          2HG       LYS  76  -0.863   9.624   8.627
  476   1HD   LYS  76          1HD       LYS  76  -1.500   7.491   9.043
  477   2HD   LYS  76          2HD       LYS  76   0.013   6.810   8.441
  478   1HE   LYS  76          1HE       LYS  76  -0.007   6.374  10.758
  479   2HE   LYS  76          2HE       LYS  76   1.100   7.727  10.535
  480   1HZ   LYS  76          1HZ       LYS  76  -1.580   7.694  11.742
  481   2HZ   LYS  76          2HZ       LYS  76  -1.022   9.126  11.020
  482   3HZ   LYS  76          3HZ       LYS  76  -0.156   8.429  12.301
  483    H    ARG  77           H        ARG  77   3.412   9.143   8.262
  484    HA   ARG  77           HA       ARG  77   4.832   7.419   6.349
  485   1HB   ARG  77          1HB       ARG  77   6.077   9.352   7.318
  486   2HB   ARG  77          2HB       ARG  77   5.874   8.642   8.914
  487   1HG   ARG  77          1HG       ARG  77   7.032   6.576   7.916
  488   2HG   ARG  77          2HG       ARG  77   7.529   7.664   6.620
  489   1HD   ARG  77          1HD       ARG  77   8.167   9.121   8.833
  490   2HD   ARG  77          2HD       ARG  77   8.471   7.476   9.392
  491    HE   ARG  77           HE       ARG  77   9.699   8.646   6.973
  492   1HH1  ARG  77          1HH1      ARG  77   9.890   6.683   9.868
  493   2HH1  ARG  77          2HH1      ARG  77  11.507   6.126   9.551
  494   1HH2  ARG  77          1HH2      ARG  77  11.811   7.914   6.524
  495   2HH2  ARG  77          2HH2      ARG  77  12.609   6.835   7.636
  496    H    ASN  78           H        ASN  78   5.234   5.316   6.797
  497    HA   ASN  78           HA       ASN  78   4.599   4.286   9.474
  498   1HB   ASN  78          1HB       ASN  78   2.751   3.366   8.565
  499   2HB   ASN  78          2HB       ASN  78   3.311   3.631   6.922
  500   1HD2  ASN  78          1HD2      ASN  78   2.752   1.398   9.356
  501   2HD2  ASN  78          2HD2      ASN  78   3.454   0.013   8.597
  502    H    ASP  79           H        ASP  79   5.792   2.387  10.069
  503    HA   ASP  79           HA       ASP  79   8.258   2.094   8.500
  504   1HB   ASP  79          1HB       ASP  79   9.370   1.453  10.612
  505   2HB   ASP  79          2HB       ASP  79   8.719   3.088  10.652
  506    H    ILE  80           H        ILE  80   9.274  -0.120   9.940
  507    HA   ILE  80           HA       ILE  80   8.149  -2.099   8.192
  508    HB   ILE  80           HB       ILE  80  10.187  -2.880  10.201
  509   1HG1  ILE  80          1HG1      ILE  80  11.539  -1.656   7.996
  510   2HG1  ILE  80          2HG1      ILE  80  10.466  -0.465   8.725
  511   1HG2  ILE  80          1HG2      ILE  80  10.466  -4.531   8.757
  512   2HG2  ILE  80          2HG2      ILE  80   9.194  -3.841   7.750
  513   3HG2  ILE  80          3HG2      ILE  80  10.876  -3.386   7.481
  514   1HD1  ILE  80          1HD1      ILE  80  12.052  -0.102  10.226
  515   2HD1  ILE  80          2HD1      ILE  80  11.721  -1.710  10.871
  516   3HD1  ILE  80          3HD1      ILE  80  12.984  -1.489   9.659
  517    H    ASP  81           H        ASP  81   7.058  -3.888   8.650
  518    HA   ASP  81           HA       ASP  81   5.548  -5.219   9.663
  519   1HB   ASP  81          1HB       ASP  81   7.815  -5.788  10.883
  520   2HB   ASP  81          2HB       ASP  81   7.000  -5.069  12.270
  521    H    LYS  82           H        LYS  82   4.926  -2.537   9.610
  522    HA   LYS  82           HA       LYS  82   3.357  -2.255  12.094
  523   1HB   LYS  82          1HB       LYS  82   5.351  -0.603  11.612
  524   2HB   LYS  82          2HB       LYS  82   4.205   0.140  10.506
  525   1HG   LYS  82          1HG       LYS  82   2.684  -0.056  12.731
  526   2HG   LYS  82          2HG       LYS  82   4.285   0.155  13.439
  527   1HD   LYS  82          1HD       LYS  82   4.500   2.086  11.705
  528   2HD   LYS  82          2HD       LYS  82   2.736   2.002  11.676
  529   1HE   LYS  82          1HE       LYS  82   2.938   3.482  13.375
  530   2HE   LYS  82          2HE       LYS  82   3.126   2.009  14.324
  531   1HZ   LYS  82          1HZ       LYS  82   5.637   2.752  13.300
  532   2HZ   LYS  82          2HZ       LYS  82   5.133   2.686  14.922
  533   3HZ   LYS  82          3HZ       LYS  82   4.936   4.114  14.034
  534    HA   PRO  83           HA       PRO  83  -0.002  -1.890   9.164
  535   1HB   PRO  83          1HB       PRO  83  -1.827  -1.358  11.298
  536   2HB   PRO  83          2HB       PRO  83  -1.551  -2.892  10.474
  537   1HG   PRO  83          1HG       PRO  83  -0.931  -2.367  13.125
  538   2HG   PRO  83          2HG       PRO  83  -0.244  -3.680  12.155
  539   1HD   PRO  83          1HD       PRO  83   0.927  -1.015  12.841
  540   2HD   PRO  83          2HD       PRO  83   1.725  -2.596  12.684
  541    H    LEU  84           H        LEU  84  -0.210  -0.083   7.997
  542    HA   LEU  84           HA       LEU  84  -0.566   2.479   9.373
  543   1HB   LEU  84          1HB       LEU  84   1.105   2.616   7.706
  544   2HB   LEU  84          2HB       LEU  84   0.135   1.725   6.546
  545    HG   LEU  84           HG       LEU  84  -1.277   4.101   7.285
  546   1HD1  LEU  84          1HD1      LEU  84   1.485   4.646   6.218
  547   2HD1  LEU  84          2HD1      LEU  84   0.229   5.820   6.617
  548   3HD1  LEU  84          3HD1      LEU  84   1.010   4.893   7.898
  549   1HD2  LEU  84          1HD2      LEU  84   0.102   3.528   4.680
  550   2HD2  LEU  84          2HD2      LEU  84  -1.365   2.687   5.178
  551   3HD2  LEU  84          3HD2      LEU  84  -1.384   4.436   4.962
  552    H    LYS  85           H        LYS  85  -2.556   3.275   9.607
  553    HA   LYS  85           HA       LYS  85  -4.604   2.552   7.638
  554   1HB   LYS  85          1HB       LYS  85  -6.170   2.634   9.791
  555   2HB   LYS  85          2HB       LYS  85  -5.410   1.149   9.247
  556   1HG   LYS  85          1HG       LYS  85  -3.612   1.475  10.877
  557   2HG   LYS  85          2HG       LYS  85  -4.395   2.957  11.429
  558   1HD   LYS  85          1HD       LYS  85  -6.307   1.736  12.202
  559   2HD   LYS  85          2HD       LYS  85  -5.708   0.244  11.469
  560   1HE   LYS  85          1HE       LYS  85  -3.638   0.668  13.005
  561   2HE   LYS  85          2HE       LYS  85  -4.765   1.676  13.916
  562   1HZ   LYS  85          1HZ       LYS  85  -4.675  -0.601  14.757
  563   2HZ   LYS  85          2HZ       LYS  85  -5.180  -1.192  13.249
  564   3HZ   LYS  85          3HZ       LYS  85  -6.222  -0.219  14.171
  565    H    TYR  86           H        TYR  86  -5.885   4.180   7.025
  566    HA   TYR  86           HA       TYR  86  -5.894   6.651   8.616
  567   1HB   TYR  86          1HB       TYR  86  -4.621   6.331   6.125
  568   2HB   TYR  86          2HB       TYR  86  -6.101   7.224   5.797
  569    HD1  TYR  86           HD1      TYR  86  -4.607   7.614   9.081
  570    HD2  TYR  86           HD2      TYR  86  -4.674   9.143   5.113
  571    HE1  TYR  86           HE1      TYR  86  -3.515   9.675   9.859
  572    HE2  TYR  86           HE2      TYR  86  -3.588  11.209   5.882
  573    HH   TYR  86           HH       TYR  86  -3.303  12.486   7.932
  574    H    GLU  87           H        GLU  87  -7.761   7.978   8.287
  575    HA   GLU  87           HA       GLU  87 -10.126   6.427   7.608
  576   1HB   GLU  87          1HB       GLU  87  -9.527   8.838   9.201
  577   2HB   GLU  87          2HB       GLU  87 -11.064   8.866   8.348
  578   1HG   GLU  87          1HG       GLU  87 -11.480   6.574   9.393
  579   2HG   GLU  87          2HG       GLU  87 -10.127   6.958  10.457
  580    H    ASP  88           H        ASP  88 -11.925   8.060   6.654
  581    HA   ASP  88           HA       ASP  88 -12.748   8.985   4.754
  582   1HB   ASP  88          1HB       ASP  88 -10.831  10.716   5.671
  583   2HB   ASP  88          2HB       ASP  88 -10.319  10.455   4.006
  584    H    TYR  89           H        TYR  89 -12.723   6.919   3.734
  585    HA   TYR  89           HA       TYR  89 -10.419   6.059   2.244
  586   1HB   TYR  89          1HB       TYR  89 -13.225   4.933   2.187
  587   2HB   TYR  89          2HB       TYR  89 -11.763   4.142   1.612
  588    HD1  TYR  89           HD1      TYR  89  -9.858   3.940   3.489
  589    HD2  TYR  89           HD2      TYR  89 -14.027   4.313   4.245
  590    HE1  TYR  89           HE1      TYR  89  -9.544   2.900   5.695
  591    HE2  TYR  89           HE2      TYR  89 -13.725   3.279   6.454
  592    HH   TYR  89           HH       TYR  89 -11.695   1.507   7.398
  593    H    TYR  90           H        TYR  90 -13.462   7.645   1.531
  594    HA   TYR  90           HA       TYR  90 -12.921   7.337  -1.342
  595   1HB   TYR  90          1HB       TYR  90 -15.220   6.815   0.128
  596   2HB   TYR  90          2HB       TYR  90 -15.563   8.344  -0.673
  597    HD1  TYR  90           HD1      TYR  90 -14.787   8.350  -3.254
  598    HD2  TYR  90           HD2      TYR  90 -15.833   4.906  -0.992
  599    HE1  TYR  90           HE1      TYR  90 -15.301   7.149  -5.332
  600    HE2  TYR  90           HE2      TYR  90 -16.348   3.692  -3.065
  601    HH   TYR  90           HH       TYR  90 -16.366   5.323  -6.185
  602    H    THR  91           H        THR  91 -11.899   9.057  -2.141
  603    HA   THR  91           HA       THR  91 -12.636  11.753  -1.359
  604    HB   THR  91           HB       THR  91 -11.105  12.326  -3.375
  605    HG1  THR  91           HG1      THR  91 -10.283   9.622  -2.944
  606   1HG2  THR  91          1HG2      THR  91  -9.036  11.739  -1.995
  607   2HG2  THR  91          2HG2      THR  91 -10.156  11.026  -0.835
  608   3HG2  THR  91          3HG2      THR  91 -10.257  12.745  -1.216
  609    H    SER  92           H        SER  92 -12.085  10.962  -4.694
  610    HA   SER  92           HA       SER  92 -14.958  11.156  -5.287
  611   1HB   SER  92          1HB       SER  92 -13.583  12.282  -7.481
  612   2HB   SER  92          2HB       SER  92 -14.630  13.115  -6.332
  613    HG   SER  92           HG       SER  92 -12.911  13.776  -5.189
  614    H    GLY  93           H        GLY  93 -12.386   9.226  -5.317
  615   1HA   GLY  93          1HA       GLY  93 -12.966   7.070  -6.556
  616   2HA   GLY  93          2HA       GLY  93 -12.907   8.089  -7.987
  617    H    LEU  94           H        LEU  94 -10.688   9.656  -6.775
  618    HA   LEU  94           HA       LEU  94  -8.502   8.225  -7.850
  619   1HB   LEU  94          1HB       LEU  94  -9.012  10.828  -6.708
  620   2HB   LEU  94          2HB       LEU  94  -7.492  10.187  -6.118
  621    HG   LEU  94           HG       LEU  94  -6.487  10.266  -8.186
  622   1HD1  LEU  94          1HD1      LEU  94  -7.616  10.234 -10.320
  623   2HD1  LEU  94          2HD1      LEU  94  -8.169   8.881  -9.332
  624   3HD1  LEU  94          3HD1      LEU  94  -9.187  10.310  -9.523
  625   1HD2  LEU  94          1HD2      LEU  94  -8.503  12.471  -8.006
  626   2HD2  LEU  94          2HD2      LEU  94  -6.769  12.516  -7.683
  627   3HD2  LEU  94          3HD2      LEU  94  -7.354  12.390  -9.343
  628    H    SER  95           H        SER  95  -7.100   6.836  -6.936
  629    HA   SER  95           HA       SER  95  -7.555   6.134  -4.130
  630   1HB   SER  95          1HB       SER  95  -5.840   4.405  -5.806
  631   2HB   SER  95          2HB       SER  95  -7.151   3.972  -4.706
  632    HG   SER  95           HG       SER  95  -8.446   5.113  -6.522
  633    H    TRP  96           H        TRP  96  -6.067   6.522  -2.631
  634    HA   TRP  96           HA       TRP  96  -3.768   8.089  -3.172
  635   1HB   TRP  96          1HB       TRP  96  -4.200   6.519  -0.618
  636   2HB   TRP  96          2HB       TRP  96  -3.347   8.037  -0.825
  637    HD1  TRP  96           HD1      TRP  96  -6.683   8.218  -2.491
  638    HE1  TRP  96           HE1      TRP  96  -8.347   9.501  -1.007
  639    HE3  TRP  96           HE3      TRP  96  -3.980   8.339   1.843
  640    HZ2  TRP  96           HZ2      TRP  96  -8.494  10.444   1.648
  641    HZ3  TRP  96           HZ3      TRP  96  -4.954   9.449   3.810
  642    HH2  TRP  96           HH2      TRP  96  -7.165  10.478   3.711
  643    H    ILE  97           H        ILE  97  -1.578   7.526  -2.869
  644    HA   ILE  97           HA       ILE  97  -1.090   4.799  -3.785
  645    HB   ILE  97           HB       ILE  97  -0.140   7.293  -4.661
  646   1HG1  ILE  97          1HG1      ILE  97   1.228   5.634  -6.192
  647   2HG1  ILE  97          2HG1      ILE  97   0.229   4.424  -5.391
  648   1HG2  ILE  97          1HG2      ILE  97   1.666   7.312  -3.119
  649   2HG2  ILE  97          2HG2      ILE  97   2.058   5.626  -3.461
  650   3HG2  ILE  97          3HG2      ILE  97   2.324   6.860  -4.694
  651   1HD1  ILE  97          1HD1      ILE  97  -0.678   5.225  -7.547
  652   2HD1  ILE  97          2HD1      ILE  97  -1.770   5.466  -6.183
  653   3HD1  ILE  97          3HD1      ILE  97  -0.856   6.829  -6.833
  654    H    TRP  98           H        TRP  98   0.252   3.386  -2.764
  655    HA   TRP  98           HA       TRP  98   1.449   4.220  -0.227
  656   1HB   TRP  98          1HB       TRP  98   1.747   1.456  -1.363
  657   2HB   TRP  98          2HB       TRP  98   1.700   1.963   0.319
  658    HD1  TRP  98           HD1      TRP  98  -0.397   0.404  -2.291
  659    HE1  TRP  98           HE1      TRP  98  -2.834   0.219  -1.490
  660    HE3  TRP  98           HE3      TRP  98  -0.150   3.461   1.802
  661    HZ2  TRP  98           HZ2      TRP  98  -4.435   1.223   0.592
  662    HZ3  TRP  98           HZ3      TRP  98  -2.185   3.786   3.146
  663    HH2  TRP  98           HH2      TRP  98  -4.278   2.690   2.551
  664    H    LYS  99           H        LYS  99   3.428   5.128  -0.388
  665    HA   LYS  99           HA       LYS  99   5.160   4.258  -2.580
  666   1HB   LYS  99          1HB       LYS  99   4.909   6.672  -2.272
  667   2HB   LYS  99          2HB       LYS  99   5.510   6.538  -0.626
  668   1HG   LYS  99          1HG       LYS  99   7.644   6.487  -1.285
  669   2HG   LYS  99          2HG       LYS  99   7.305   5.405  -2.636
  670   1HD   LYS  99          1HD       LYS  99   6.350   8.207  -2.849
  671   2HD   LYS  99          2HD       LYS  99   8.088   7.927  -2.981
  672   1HE   LYS  99          1HE       LYS  99   6.935   5.959  -4.569
  673   2HE   LYS  99          2HE       LYS  99   5.974   7.402  -4.887
  674   1HZ   LYS  99          1HZ       LYS  99   8.460   6.777  -5.930
  675   2HZ   LYS  99          2HZ       LYS  99   8.733   8.052  -4.849
  676   3HZ   LYS  99          3HZ       LYS  99   7.604   8.232  -6.108
  677    H    ILE 100           H        ILE 100   6.067   2.395  -2.052
  678    HA   ILE 100           HA       ILE 100   7.149   1.895   0.574
  679    HB   ILE 100           HB       ILE 100   7.351   0.309  -1.994
  680   1HG1  ILE 100          1HG1      ILE 100   5.897  -0.851   0.252
  681   2HG1  ILE 100          2HG1      ILE 100   5.194   0.671  -0.283
  682   1HG2  ILE 100          1HG2      ILE 100   8.670  -1.205  -0.997
  683   2HG2  ILE 100          2HG2      ILE 100   9.077   0.121   0.094
  684   3HG2  ILE 100          3HG2      ILE 100   7.842  -1.050   0.552
  685   1HD1  ILE 100          1HD1      ILE 100   5.559  -0.562  -2.651
  686   2HD1  ILE 100          2HD1      ILE 100   5.267  -1.948  -1.601
  687   3HD1  ILE 100          3HD1      ILE 100   4.075  -0.652  -1.703
  688    H    LYS 101           H        LYS 101   8.900   2.971   1.152
  689    HA   LYS 101           HA       LYS 101  11.083   3.258  -0.804
  690   1HB   LYS 101          1HB       LYS 101  10.110   5.374   0.161
  691   2HB   LYS 101          2HB       LYS 101  10.682   4.847   1.737
  692   1HG   LYS 101          1HG       LYS 101  12.774   4.795  -0.278
  693   2HG   LYS 101          2HG       LYS 101  12.066   6.398  -0.065
  694   1HD   LYS 101          1HD       LYS 101  12.438   6.191   2.374
  695   2HD   LYS 101          2HD       LYS 101  13.241   4.645   2.091
  696   1HE   LYS 101          1HE       LYS 101  14.265   6.825   0.439
  697   2HE   LYS 101          2HE       LYS 101  14.467   7.095   2.169
  698   1HZ   LYS 101          1HZ       LYS 101  15.803   5.238   2.392
  699   2HZ   LYS 101          2HZ       LYS 101  16.288   5.844   0.887
  700   3HZ   LYS 101          3HZ       LYS 101  15.241   4.515   0.965
  701    H    ASN 102           H        ASN 102  12.895   2.150  -0.438
  702    HA   ASN 102           HA       ASN 102  13.191   0.893   2.212
  703   1HB   ASN 102          1HB       ASN 102  14.113  -1.051   1.176
  704   2HB   ASN 102          2HB       ASN 102  12.646  -0.651   0.288
  705   1HD2  ASN 102          1HD2      ASN 102  15.000  -2.199  -0.519
  706   2HD2  ASN 102          2HD2      ASN 102  15.574  -1.436  -1.962
  707    H    ASN 103           H        ASN 103  15.470   0.284   2.739
  708    HA   ASN 103           HA       ASN 103  17.375   2.276   1.683
  709   1HB   ASN 103          1HB       ASN 103  16.834   1.383   4.491
  710   2HB   ASN 103          2HB       ASN 103  18.451   1.925   4.052
  711   1HD2  ASN 103          1HD2      ASN 103  15.952   2.954   5.612
  712   2HD2  ASN 103          2HD2      ASN 103  15.884   4.624   5.125
  713    H    SER 104           H        SER 104  16.651  -0.836   1.531
  714    HA   SER 104           HA       SER 104  19.232  -2.010   2.025
  715   1HB   SER 104          1HB       SER 104  17.267  -3.485   0.388
  716   2HB   SER 104          2HB       SER 104  18.130  -3.989   1.844
  717    HG   SER 104           HG       SER 104  16.272  -3.667   2.784
  718    H    SER 105           H        SER 105  20.784  -2.495   0.530
  719    HA   SER 105           HA       SER 105  20.727  -1.052  -1.936
  720   1HB   SER 105          1HB       SER 105  22.911  -2.887  -1.827
  721   2HB   SER 105          2HB       SER 105  22.935  -1.138  -1.591
  722    HG   SER 105           HG       SER 105  23.213  -1.469   0.456
  723    H    GLU 106           H        GLU 106  20.394  -4.415  -0.998
  724    HA   GLU 106           HA       GLU 106  20.515  -5.402  -3.702
  725   1HB   GLU 106          1HB       GLU 106  19.680  -6.780  -1.144
  726   2HB   GLU 106          2HB       GLU 106  19.966  -7.577  -2.684
  727   1HG   GLU 106          1HG       GLU 106  22.325  -6.426  -2.443
  728   2HG   GLU 106          2HG       GLU 106  21.898  -6.457  -0.731
  729    H    THR 107           H        THR 107  18.722  -6.704  -4.610
  730    HA   THR 107           HA       THR 107  16.276  -5.336  -4.713
  731    HB   THR 107           HB       THR 107  16.152  -8.213  -5.320
  732    HG1  THR 107           HG1      THR 107  17.687  -6.923  -7.208
  733   1HG2  THR 107          1HG2      THR 107  15.911  -6.227  -7.467
  734   2HG2  THR 107          2HG2      THR 107  14.819  -5.961  -6.108
  735   3HG2  THR 107          3HG2      THR 107  14.794  -7.498  -6.972
  736    H    SER 108           H        SER 108  15.013  -5.089  -2.990
  737    HA   SER 108           HA       SER 108  14.814  -7.277  -1.050
  738   1HB   SER 108          1HB       SER 108  13.523  -4.772  -0.308
  739   2HB   SER 108          2HB       SER 108  14.785  -5.676   0.538
  740    HG   SER 108           HG       SER 108  16.129  -4.712  -1.343
  741    H    ASN 109           H        ASN 109  12.836  -8.143  -0.458
  742    HA   ASN 109           HA       ASN 109  10.566  -7.350  -2.129
  743   1HB   ASN 109          1HB       ASN 109   9.641  -9.463  -1.848
  744   2HB   ASN 109          2HB       ASN 109  11.360  -9.823  -1.882
  745   1HD2  ASN 109          1HD2      ASN 109  12.188 -10.958  -0.274
  746   2HD2  ASN 109          2HD2      ASN 109  11.383 -11.327   1.219
  747    H    TYR 110           H        TYR 110   8.727  -6.546  -1.289
  748    HA   TYR 110           HA       TYR 110   8.677  -6.141   1.620
  749   1HB   TYR 110          1HB       TYR 110   6.877  -4.422   1.081
  750   2HB   TYR 110          2HB       TYR 110   8.518  -4.004   0.600
  751    HD1  TYR 110           HD1      TYR 110   9.074  -3.646  -1.697
  752    HD2  TYR 110           HD2      TYR 110   5.226  -5.131  -0.652
  753    HE1  TYR 110           HE1      TYR 110   8.301  -3.240  -3.989
  754    HE2  TYR 110           HE2      TYR 110   4.444  -4.736  -2.946
  755    HH   TYR 110           HH       TYR 110   5.323  -2.970  -4.912
  756    H    SER 111           H        SER 111   6.976  -6.886   2.792
  757    HA   SER 111           HA       SER 111   5.031  -8.521   1.322
  758   1HB   SER 111          1HB       SER 111   5.107  -8.765   4.250
  759   2HB   SER 111          2HB       SER 111   5.124 -10.023   3.016
  760    HG   SER 111           HG       SER 111   7.376  -9.394   2.660
  761    H    LEU 112           H        LEU 112   3.599  -6.953   0.735
  762    HA   LEU 112           HA       LEU 112   2.668  -5.051   2.753
  763   1HB   LEU 112          1HB       LEU 112   3.267  -4.161   0.581
  764   2HB   LEU 112          2HB       LEU 112   2.156  -5.258  -0.216
  765    HG   LEU 112           HG       LEU 112   0.253  -4.102   0.767
  766   1HD1  LEU 112          1HD1      LEU 112   0.457  -2.181   2.148
  767   2HD1  LEU 112          2HD1      LEU 112   1.450  -3.447   2.867
  768   3HD1  LEU 112          3HD1      LEU 112   2.209  -2.145   1.951
  769   1HD2  LEU 112          1HD2      LEU 112   1.604  -1.728  -0.194
  770   2HD2  LEU 112          2HD2      LEU 112   1.934  -3.132  -1.209
  771   3HD2  LEU 112          3HD2      LEU 112   0.269  -2.635  -0.907
  772    H    ASP 113           H        ASP 113   1.237  -6.031   4.086
  773    HA   ASP 113           HA       ASP 113  -0.817  -7.778   3.022
  774   1HB   ASP 113          1HB       ASP 113   0.183  -7.048   5.705
  775   2HB   ASP 113          2HB       ASP 113  -1.541  -7.387   5.609
  776    H    ALA 114           H        ALA 114  -2.132  -6.552   1.766
  777    HA   ALA 114           HA       ALA 114  -3.429  -4.215   2.987
  778   1HB   ALA 114          1HB       ALA 114  -4.394  -4.312   0.443
  779   2HB   ALA 114          2HB       ALA 114  -2.961  -3.411   0.938
  780   3HB   ALA 114          3HB       ALA 114  -2.792  -5.020   0.235
  781    H    THR 115           H        THR 115  -5.812  -4.022   2.628
  782    HA   THR 115           HA       THR 115  -7.062  -6.559   3.266
  783    HB   THR 115           HB       THR 115  -9.060  -4.613   3.161
  784    HG1  THR 115           HG1      THR 115  -8.206  -2.795   4.068
  785   1HG2  THR 115          1HG2      THR 115  -7.390  -5.700   5.421
  786   2HG2  THR 115          2HG2      THR 115  -8.987  -6.230   4.895
  787   3HG2  THR 115          3HG2      THR 115  -8.793  -4.663   5.676
  788    H    VAL 116           H        VAL 116  -7.262  -7.737   1.418
  789    HA   VAL 116           HA       VAL 116  -8.127  -6.633  -1.051
  790    HB   VAL 116           HB       VAL 116  -6.824  -8.657  -1.109
  791   1HG1  VAL 116          1HG1      VAL 116  -7.884  -9.486   1.124
  792   2HG1  VAL 116          2HG1      VAL 116  -9.027 -10.299   0.053
  793   3HG1  VAL 116          3HG1      VAL 116  -7.302 -10.651  -0.067
  794   1HG2  VAL 116          1HG2      VAL 116  -7.879  -9.104  -3.009
  795   2HG2  VAL 116          2HG2      VAL 116  -9.023 -10.101  -2.113
  796   3HG2  VAL 116          3HG2      VAL 116  -9.370  -8.395  -2.390
  797    H    HIS 117           H        HIS 117 -10.046  -5.759  -1.271
  798    HA   HIS 117           HA       HIS 117 -12.241  -6.417   0.414
  799   1HB   HIS 117          1HB       HIS 117 -11.667  -4.469  -1.698
  800   2HB   HIS 117          2HB       HIS 117 -13.341  -5.020  -1.686
  801    HD1  HIS 117           HD1      HIS 117 -14.761  -4.460   0.413
  802    HD2  HIS 117           HD2      HIS 117 -10.911  -2.888   0.464
  803    HE1  HIS 117           HE1      HIS 117 -14.733  -2.789   2.294
  804    HE2  HIS 117           HE2      HIS 117 -12.329  -2.036   2.456
  805    H    ASP 118           H        ASP 118 -11.984  -6.586  -3.121
  806    HA   ASP 118           HA       ASP 118 -12.775  -9.262  -3.351
  807   1HB   ASP 118          1HB       ASP 118 -15.063  -8.821  -4.379
  808   2HB   ASP 118          2HB       ASP 118 -14.969  -8.678  -2.628
  809    H    ASP 119           H        ASP 119 -14.147  -9.157  -5.756
  810    HA   ASP 119           HA       ASP 119 -12.047  -8.657  -7.594
  811   1HB   ASP 119          1HB       ASP 119 -13.913 -10.398  -7.734
  812   2HB   ASP 119          2HB       ASP 119 -14.955  -9.087  -8.273
  813    H    LYS 120           H        LYS 120 -11.454  -6.638  -8.133
  814    HA   LYS 120           HA       LYS 120 -13.584  -4.713  -8.713
  815   1HB   LYS 120          1HB       LYS 120 -11.135  -4.349  -7.030
  816   2HB   LYS 120          2HB       LYS 120 -11.820  -2.974  -7.888
  817   1HG   LYS 120          1HG       LYS 120 -13.808  -4.519  -6.414
  818   2HG   LYS 120          2HG       LYS 120 -12.549  -3.830  -5.390
  819   1HD   LYS 120          1HD       LYS 120 -13.938  -2.037  -5.424
  820   2HD   LYS 120          2HD       LYS 120 -13.070  -1.697  -6.921
  821   1HE   LYS 120          1HE       LYS 120 -15.037  -3.338  -7.819
  822   2HE   LYS 120          2HE       LYS 120 -15.863  -2.527  -6.489
  823   1HZ   LYS 120          1HZ       LYS 120 -14.330  -0.835  -8.309
  824   2HZ   LYS 120          2HZ       LYS 120 -15.819  -0.545  -7.549
  825   3HZ   LYS 120          3HZ       LYS 120 -15.753  -1.528  -8.928
  826    H    GLU 121           H        GLU 121 -11.519  -2.679  -9.387
  827    HA   GLU 121           HA       GLU 121 -11.260  -3.697 -12.120
  828   1HB   GLU 121          1HB       GLU 121 -11.053  -0.870 -12.075
  829   2HB   GLU 121          2HB       GLU 121 -12.320  -1.869 -12.768
  830   1HG   GLU 121          1HG       GLU 121 -13.453  -0.452 -11.325
  831   2HG   GLU 121          2HG       GLU 121 -13.297  -1.947 -10.405
  832    H    ASP 122           H        ASP 122  -9.769  -0.687 -11.237
  833    HA   ASP 122           HA       ASP 122  -7.394  -1.734 -12.563
  834   1HB   ASP 122          1HB       ASP 122  -8.763   0.554 -12.962
  835   2HB   ASP 122          2HB       ASP 122  -7.534   1.133 -11.843
  836    H    SER 123           H        SER 123  -5.447  -0.111 -11.831
  837    HA   SER 123           HA       SER 123  -4.971   0.201  -9.069
  838   1HB   SER 123          1HB       SER 123  -3.060  -1.665  -9.213
  839   2HB   SER 123          2HB       SER 123  -4.686  -2.057  -8.656
  840    HG   SER 123           HG       SER 123  -4.146  -3.556 -10.197
  841    H    ASP 124           H        ASP 124  -3.663   1.956  -9.208
  842    HA   ASP 124           HA       ASP 124  -1.999   2.334 -11.538
  843   1HB   ASP 124          1HB       ASP 124  -3.214   4.229 -10.368
  844   2HB   ASP 124          2HB       ASP 124  -2.029   4.080  -9.072
  845    H    VAL 125           H        VAL 125  -0.740   0.430 -11.192
  846    HA   VAL 125           HA       VAL 125   1.412   0.858  -9.236
  847    HB   VAL 125           HB       VAL 125   0.371  -1.159  -8.593
  848   1HG1  VAL 125          1HG1      VAL 125   0.418  -2.914 -10.759
  849   2HG1  VAL 125          2HG1      VAL 125  -0.998  -2.176 -10.012
  850   3HG1  VAL 125          3HG1      VAL 125  -0.230  -1.404 -11.400
  851   1HG2  VAL 125          1HG2      VAL 125   2.842  -1.613 -10.218
  852   2HG2  VAL 125          2HG2      VAL 125   2.644  -1.588  -8.467
  853   3HG2  VAL 125          3HG2      VAL 125   2.046  -2.958  -9.402
  854    H    LEU 126           H        LEU 126   3.315   1.317 -10.063
  855    HA   LEU 126           HA       LEU 126   3.940   0.413 -12.795
  856   1HB   LEU 126          1HB       LEU 126   3.471   2.990 -12.239
  857   2HB   LEU 126          2HB       LEU 126   5.156   2.926 -11.765
  858    HG   LEU 126           HG       LEU 126   4.405   3.604 -14.219
  859   1HD1  LEU 126          1HD1      LEU 126   6.668   3.719 -13.562
  860   2HD1  LEU 126          2HD1      LEU 126   6.794   1.964 -13.428
  861   3HD1  LEU 126          3HD1      LEU 126   6.626   2.717 -15.014
  862   1HD2  LEU 126          1HD2      LEU 126   3.550   1.939 -15.417
  863   2HD2  LEU 126          2HD2      LEU 126   5.108   1.121 -15.306
  864   3HD2  LEU 126          3HD2      LEU 126   3.850   0.787 -14.117
  865    H    THR 127           H        THR 127   5.967  -0.422 -13.091
  866    HA   THR 127           HA       THR 127   7.388  -1.352 -10.830
  867    HB   THR 127           HB       THR 127   8.952  -1.374 -13.273
  868    HG1  THR 127           HG1      THR 127   6.748  -2.924 -13.769
  869   1HG2  THR 127          1HG2      THR 127   7.672  -3.425 -11.480
  870   2HG2  THR 127          2HG2      THR 127   9.383  -3.026 -11.647
  871   3HG2  THR 127          3HG2      THR 127   8.545  -3.880 -12.944
  872    H    LYS 128           H        LYS 128   7.921   0.506  -9.645
  873    HA   LYS 128           HA       LYS 128   9.354   2.067  -8.849
  874   1HB   LYS 128          1HB       LYS 128  11.031   0.384  -9.978
  875   2HB   LYS 128          2HB       LYS 128  11.241   1.687 -11.140
  876   1HG   LYS 128          1HG       LYS 128  11.407   2.721  -8.469
  877   2HG   LYS 128          2HG       LYS 128  12.519   1.364  -8.671
  878   1HD   LYS 128          1HD       LYS 128  12.371   3.891 -10.313
  879   2HD   LYS 128          2HD       LYS 128  13.694   3.358  -9.273
  880   1HE   LYS 128          1HE       LYS 128  14.231   1.562 -10.752
  881   2HE   LYS 128          2HE       LYS 128  12.771   1.832 -11.700
  882   1HZ   LYS 128          1HZ       LYS 128  14.521   2.774 -12.920
  883   2HZ   LYS 128          2HZ       LYS 128  15.191   3.532 -11.559
  884   3HZ   LYS 128          3HZ       LYS 128  13.731   4.095 -12.206
  885    H    CYS 129           H        CYS 129   7.486   3.398  -9.664
  886    HA   CYS 129           HA       CYS 129   7.924   5.035 -11.969
  887   1HB   CYS 129          1HB       CYS 129   6.113   6.441 -10.497
  888   2HB   CYS 129          2HB       CYS 129   5.690   5.122 -11.582
  889    HA   PRO 130           HA       PRO 130  10.753   7.742  -9.834
  890   1HB   PRO 130          1HB       PRO 130  11.377   9.313 -11.924
  891   2HB   PRO 130          2HB       PRO 130  11.953   7.646 -11.806
  892   1HG   PRO 130          1HG       PRO 130   9.702   8.768 -13.418
  893   2HG   PRO 130          2HG       PRO 130  10.888   7.529 -13.861
  894   1HD   PRO 130          1HD       PRO 130   8.314   6.999 -13.025
  895   2HD   PRO 130          2HD       PRO 130   9.666   5.855 -12.907
  896    H    VAL 131           H        VAL 131   8.221   8.310  -9.085
  897    HA   VAL 131           HA       VAL 131   8.185  11.237  -9.267
  898    HB   VAL 131           HB       VAL 131   5.504  10.567  -8.932
  899   1HG1  VAL 131          1HG1      VAL 131   7.187  11.923 -10.895
  900   2HG1  VAL 131          2HG1      VAL 131   5.668  11.316 -11.553
  901   3HG1  VAL 131          3HG1      VAL 131   5.656  12.418 -10.174
  902   1HG2  VAL 131          1HG2      VAL 131   6.664   8.378 -10.207
  903   2HG2  VAL 131          2HG2      VAL 131   4.947   8.766 -10.115
  904   3HG2  VAL 131          3HG2      VAL 131   5.899   9.304 -11.498
  Start of MODEL   20
    1   1H    ARG  14          1H        ARG  14  -8.597 -16.738   9.854
    2    HA   ARG  14           HA       ARG  14  -6.321 -15.820   8.428
    3   1HB   ARG  14          1HB       ARG  14  -6.263 -18.277   7.888
    4   2HB   ARG  14          2HB       ARG  14  -7.841 -18.093   7.132
    5   1HG   ARG  14          1HG       ARG  14  -5.802 -16.210   6.183
    6   2HG   ARG  14          2HG       ARG  14  -5.468 -17.908   5.832
    7   1HD   ARG  14          1HD       ARG  14  -7.950 -17.945   5.040
    8   2HD   ARG  14          2HD       ARG  14  -7.754 -16.197   4.939
    9    HE   ARG  14           HE       ARG  14  -6.231 -16.478   3.184
   10   1HH1  ARG  14          1HH1      ARG  14  -7.338 -19.555   4.435
   11   2HH1  ARG  14          2HH1      ARG  14  -6.853 -20.451   3.026
   12   1HH2  ARG  14          1HH2      ARG  14  -5.585 -17.650   1.330
   13   2HH2  ARG  14          2HH2      ARG  14  -5.832 -19.364   1.269
   14    H    ILE  15           H        ILE  15  -7.065 -13.949   7.719
   15    HA   ILE  15           HA       ILE  15  -9.839 -13.440   7.264
   16    HB   ILE  15           HB       ILE  15  -7.845 -11.575   6.104
   17   1HG1  ILE  15          1HG1      ILE  15  -8.086 -11.939   9.102
   18   2HG1  ILE  15          2HG1      ILE  15  -6.696 -12.436   8.143
   19   1HG2  ILE  15          1HG2      ILE  15  -9.275  -9.908   7.079
   20   2HG2  ILE  15          2HG2      ILE  15 -10.277 -11.109   6.264
   21   3HG2  ILE  15          3HG2      ILE  15 -10.128 -11.129   8.021
   22   1HD1  ILE  15          1HD1      ILE  15  -7.230  -9.921   9.324
   23   2HD1  ILE  15          2HD1      ILE  15  -5.825 -10.423   8.386
   24   3HD1  ILE  15          3HD1      ILE  15  -7.218  -9.708   7.573
   25    HA   PRO  16           HA       PRO  16  -9.888 -15.059   3.145
   26   1HB   PRO  16          1HB       PRO  16 -12.449 -13.689   2.786
   27   2HB   PRO  16          2HB       PRO  16 -12.105 -15.418   2.855
   28   1HG   PRO  16          1HG       PRO  16 -13.421 -14.126   4.829
   29   2HG   PRO  16          2HG       PRO  16 -12.361 -15.513   5.143
   30   1HD   PRO  16          1HD       PRO  16 -11.810 -12.589   5.485
   31   2HD   PRO  16          2HD       PRO  16 -11.382 -13.948   6.548
   32    H    ASN  17           H        ASN  17  -9.772 -11.745   3.879
   33    HA   ASN  17           HA       ASN  17  -9.550 -11.080   1.017
   34   1HB   ASN  17          1HB       ASN  17 -10.510  -9.146   3.126
   35   2HB   ASN  17          2HB       ASN  17 -10.544  -8.938   1.380
   36   1HD2  ASN  17          1HD2      ASN  17 -11.691 -11.109   0.391
   37   2HD2  ASN  17          2HD2      ASN  17 -13.278 -11.356   1.053
   38    H    ILE  18           H        ILE  18  -7.331 -11.888   2.509
   39    HA   ILE  18           HA       ILE  18  -5.907  -9.362   2.922
   40    HB   ILE  18           HB       ILE  18  -3.980 -11.025   3.545
   41   1HG1  ILE  18          1HG1      ILE  18  -6.401 -12.718   4.187
   42   2HG1  ILE  18          2HG1      ILE  18  -5.323 -13.024   2.828
   43   1HG2  ILE  18          1HG2      ILE  18  -4.519  -9.723   5.300
   44   2HG2  ILE  18          2HG2      ILE  18  -6.254  -9.965   5.088
   45   3HG2  ILE  18          3HG2      ILE  18  -5.281 -11.198   5.891
   46   1HD1  ILE  18          1HD1      ILE  18  -3.578 -12.864   4.920
   47   2HD1  ILE  18          2HD1      ILE  18  -4.990 -13.620   5.659
   48   3HD1  ILE  18          3HD1      ILE  18  -4.236 -14.353   4.243
   49    H    ALA  19           H        ALA  19  -5.256  -8.541   1.080
   50    HA   ALA  19           HA       ALA  19  -4.184 -10.285  -1.001
   51   1HB   ALA  19          1HB       ALA  19  -4.904  -8.758  -2.467
   52   2HB   ALA  19          2HB       ALA  19  -5.758  -8.017  -1.114
   53   3HB   ALA  19          3HB       ALA  19  -4.157  -7.435  -1.572
   54    H    THR  20           H        THR  20  -2.269 -10.855   0.074
   55    HA   THR  20           HA       THR  20  -0.405  -8.906   0.990
   56    HB   THR  20           HB       THR  20   0.449 -11.667   0.225
   57    HG1  THR  20           HG1      THR  20  -1.154 -11.035   2.519
   58   1HG2  THR  20          1HG2      THR  20   0.972 -10.048   2.717
   59   2HG2  THR  20          2HG2      THR  20   1.992  -9.991   1.280
   60   3HG2  THR  20          3HG2      THR  20   1.823 -11.497   2.183
   61    H    TYR  21           H        TYR  21   0.189  -7.488  -0.551
   62    HA   TYR  21           HA       TYR  21   1.014  -8.330  -3.179
   63   1HB   TYR  21          1HB       TYR  21   1.206  -5.668  -1.751
   64   2HB   TYR  21          2HB       TYR  21   1.700  -5.926  -3.421
   65    HD1  TYR  21           HD1      TYR  21  -1.074  -5.327  -1.191
   66    HD2  TYR  21           HD2      TYR  21  -0.029  -6.599  -5.116
   67    HE1  TYR  21           HE1      TYR  21  -3.383  -4.923  -1.931
   68    HE2  TYR  21           HE2      TYR  21  -2.336  -6.200  -5.862
   69    HH   TYR  21           HH       TYR  21  -4.723  -4.705  -3.764
   70    H    THR  22           H        THR  22   2.870  -9.292  -3.527
   71    HA   THR  22           HA       THR  22   5.132  -8.663  -1.742
   72    HB   THR  22           HB       THR  22   5.635 -11.144  -2.923
   73    HG1  THR  22           HG1      THR  22   2.909 -10.798  -2.234
   74   1HG2  THR  22          1HG2      THR  22   5.709 -10.017  -0.429
   75   2HG2  THR  22          2HG2      THR  22   6.077 -11.704  -0.793
   76   3HG2  THR  22          3HG2      THR  22   4.462 -11.251  -0.247
   77    H    GLY  23           H        GLY  23   6.707  -7.607  -2.754
   78   1HA   GLY  23          1HA       GLY  23   7.352  -8.353  -5.514
   79   2HA   GLY  23          2HA       GLY  23   6.955  -6.673  -5.191
   80    H    THR  24           H        THR  24   9.438  -7.950  -6.150
   81    HA   THR  24           HA       THR  24  11.289  -7.438  -3.961
   82    HB   THR  24           HB       THR  24  12.452  -7.964  -6.607
   83    HG1  THR  24           HG1      THR  24  11.096 -10.141  -5.387
   84   1HG2  THR  24          1HG2      THR  24  13.494  -9.837  -5.175
   85   2HG2  THR  24          2HG2      THR  24  12.718  -9.027  -3.812
   86   3HG2  THR  24          3HG2      THR  24  13.905  -8.165  -4.792
   87    H    ILE  25           H        ILE  25  10.904  -5.194  -3.760
   88    HA   ILE  25           HA       ILE  25  11.487  -3.332  -5.835
   89    HB   ILE  25           HB       ILE  25  10.246  -2.314  -4.177
   90   1HG1  ILE  25          1HG1      ILE  25  13.021  -1.671  -3.159
   91   2HG1  ILE  25          2HG1      ILE  25  12.319  -0.975  -4.615
   92   1HG2  ILE  25          1HG2      ILE  25  11.682  -2.891  -1.742
   93   2HG2  ILE  25          2HG2      ILE  25   9.982  -3.140  -2.139
   94   3HG2  ILE  25          3HG2      ILE  25  11.176  -4.365  -2.566
   95   1HD1  ILE  25          1HD1      ILE  25  10.436  -0.538  -2.615
   96   2HD1  ILE  25          2HD1      ILE  25  12.001  -0.195  -1.876
   97   3HD1  ILE  25          3HD1      ILE  25  11.516   0.646  -3.348
   98    H    GLN  26           H        GLN  26  13.437  -1.934  -5.926
   99    HA   GLN  26           HA       GLN  26  15.784  -3.522  -5.120
  100   1HB   GLN  26          1HB       GLN  26  15.683  -1.629  -7.458
  101   2HB   GLN  26          2HB       GLN  26  16.923  -2.819  -7.083
  102   1HG   GLN  26          1HG       GLN  26  14.323  -4.044  -7.362
  103   2HG   GLN  26          2HG       GLN  26  14.773  -3.132  -8.801
  104   1HE2  GLN  26          1HE2      GLN  26  17.682  -3.678  -7.975
  105   2HE2  GLN  26          2HE2      GLN  26  17.962  -5.272  -8.585
  106    H    GLY  27           H        GLY  27  15.707  -2.325  -3.090
  107   1HA   GLY  27          1HA       GLY  27  16.835  -0.899  -1.699
  108   2HA   GLY  27          2HA       GLY  27  17.923  -0.634  -3.047
  109    H    LYS  28           H        LYS  28  18.031   1.314  -3.827
  110    HA   LYS  28           HA       LYS  28  16.484   3.461  -2.813
  111   1HB   LYS  28          1HB       LYS  28  18.357   3.369  -5.186
  112   2HB   LYS  28          2HB       LYS  28  17.705   4.837  -4.474
  113   1HG   LYS  28          1HG       LYS  28  19.812   3.007  -3.460
  114   2HG   LYS  28          2HG       LYS  28  19.758   4.769  -3.487
  115   1HD   LYS  28          1HD       LYS  28  17.753   3.428  -1.779
  116   2HD   LYS  28          2HD       LYS  28  19.432   3.301  -1.257
  117   1HE   LYS  28          1HE       LYS  28  18.953   5.985  -2.056
  118   2HE   LYS  28          2HE       LYS  28  17.648   5.492  -0.977
  119   1HZ   LYS  28          1HZ       LYS  28  20.130   4.597   0.041
  120   2HZ   LYS  28          2HZ       LYS  28  19.011   5.662   0.744
  121   3HZ   LYS  28          3HZ       LYS  28  20.219   6.262  -0.282
  122    H    GLY  29           H        GLY  29  14.620   1.822  -3.661
  123   1HA   GLY  29          1HA       GLY  29  13.640   2.931  -6.209
  124   2HA   GLY  29          2HA       GLY  29  13.126   1.402  -5.504
  125    H    GLU  30           H        GLU  30  11.765   3.949  -6.307
  126    HA   GLU  30           HA       GLU  30  10.026   4.119  -3.958
  127   1HB   GLU  30          1HB       GLU  30  10.795   6.583  -5.534
  128   2HB   GLU  30          2HB       GLU  30   9.884   6.507  -4.034
  129   1HG   GLU  30          1HG       GLU  30  12.120   5.438  -3.133
  130   2HG   GLU  30          2HG       GLU  30  12.809   6.324  -4.491
  131    H    VAL  31           H        VAL  31   8.103   3.434  -4.696
  132    HA   VAL  31           HA       VAL  31   7.234   4.354  -7.351
  133    HB   VAL  31           HB       VAL  31   7.165   2.312  -8.326
  134   1HG1  VAL  31          1HG1      VAL  31   8.494   0.763  -6.226
  135   2HG1  VAL  31          2HG1      VAL  31   8.987   1.091  -7.889
  136   3HG1  VAL  31          3HG1      VAL  31   9.299   2.282  -6.628
  137   1HG2  VAL  31          1HG2      VAL  31   6.341   0.238  -7.217
  138   2HG2  VAL  31          2HG2      VAL  31   6.128   1.172  -5.736
  139   3HG2  VAL  31          3HG2      VAL  31   5.197   1.578  -7.176
  140    H    CYS  32           H        CYS  32   4.982   3.918  -7.782
  141    HA   CYS  32           HA       CYS  32   3.342   4.255  -5.367
  142   1HB   CYS  32          1HB       CYS  32   2.020   5.191  -7.701
  143   2HB   CYS  32          2HB       CYS  32   2.649   6.145  -6.359
  144    H    ILE  33           H        ILE  33   2.236   2.384  -4.975
  145    HA   ILE  33           HA       ILE  33   1.115   0.969  -7.309
  146    HB   ILE  33           HB       ILE  33   0.759  -0.952  -5.701
  147   1HG1  ILE  33          1HG1      ILE  33   2.853   0.386  -4.009
  148   2HG1  ILE  33          2HG1      ILE  33   1.138   0.586  -3.667
  149   1HG2  ILE  33          1HG2      ILE  33   2.479  -1.128  -7.314
  150   2HG2  ILE  33          2HG2      ILE  33   3.523  -0.018  -6.424
  151   3HG2  ILE  33          3HG2      ILE  33   3.186  -1.622  -5.774
  152   1HD1  ILE  33          1HD1      ILE  33   2.892  -1.736  -3.265
  153   2HD1  ILE  33          2HD1      ILE  33   1.487  -1.194  -2.348
  154   3HD1  ILE  33          3HD1      ILE  33   1.267  -2.089  -3.852
  155    H    ILE  34           H        ILE  34  -1.064   0.387  -7.324
  156    HA   ILE  34           HA       ILE  34  -2.711   2.253  -5.816
  157    HB   ILE  34           HB       ILE  34  -4.018   0.440  -7.749
  158   1HG1  ILE  34          1HG1      ILE  34  -1.708   1.033  -8.725
  159   2HG1  ILE  34          2HG1      ILE  34  -3.124   1.355  -9.717
  160   1HG2  ILE  34          1HG2      ILE  34  -5.149   2.514  -8.395
  161   2HG2  ILE  34          2HG2      ILE  34  -5.223   2.240  -6.655
  162   3HG2  ILE  34          3HG2      ILE  34  -4.092   3.424  -7.315
  163   1HD1  ILE  34          1HD1      ILE  34  -3.026   3.706  -9.139
  164   2HD1  ILE  34          2HD1      ILE  34  -1.645   3.405  -8.081
  165   3HD1  ILE  34          3HD1      ILE  34  -1.492   3.168  -9.822
  166    H    GLY  35           H        GLY  35  -3.942  -0.840  -6.942
  167   1HA   GLY  35          1HA       GLY  35  -4.791  -2.649  -5.767
  168   2HA   GLY  35          2HA       GLY  35  -4.027  -2.020  -4.312
  169    H    ASN  36           H        ASN  36  -6.162  -0.139  -6.315
  170    HA   ASN  36           HA       ASN  36  -7.928   0.195  -4.003
  171   1HB   ASN  36          1HB       ASN  36  -6.772   2.118  -5.410
  172   2HB   ASN  36          2HB       ASN  36  -8.153   1.868  -6.474
  173   1HD2  ASN  36          1HD2      ASN  36  -7.261   2.551  -3.130
  174   2HD2  ASN  36          2HD2      ASN  36  -8.689   3.464  -2.751
  175    H    LYS  37           H        LYS  37 -10.281   0.801  -4.790
  176    HA   LYS  37           HA       LYS  37 -11.200  -0.920  -6.956
  177   1HB   LYS  37          1HB       LYS  37 -11.187  -2.212  -4.734
  178   2HB   LYS  37          2HB       LYS  37 -12.463  -1.119  -4.218
  179   1HG   LYS  37          1HG       LYS  37 -13.672  -2.908  -4.983
  180   2HG   LYS  37          2HG       LYS  37 -13.627  -1.887  -6.421
  181   1HD   LYS  37          1HD       LYS  37 -12.766  -3.613  -7.529
  182   2HD   LYS  37          2HD       LYS  37 -11.312  -3.448  -6.545
  183   1HE   LYS  37          1HE       LYS  37 -12.868  -4.825  -4.840
  184   2HE   LYS  37          2HE       LYS  37 -13.514  -5.409  -6.375
  185   1HZ   LYS  37          1HZ       LYS  37 -11.608  -6.710  -5.405
  186   2HZ   LYS  37          2HZ       LYS  37 -10.614  -5.385  -5.772
  187   3HZ   LYS  37          3HZ       LYS  37 -11.410  -6.211  -7.014
  188    H    GLU  38           H        GLU  38 -13.088  -0.163  -7.891
  189    HA   GLU  38           HA       GLU  38 -13.772   2.528  -7.561
  190   1HB   GLU  38          1HB       GLU  38 -16.047   1.348  -8.664
  191   2HB   GLU  38          2HB       GLU  38 -14.701   2.062  -9.538
  192   1HG   GLU  38          1HG       GLU  38 -14.575  -0.792  -8.663
  193   2HG   GLU  38          2HG       GLU  38 -15.484  -0.339 -10.103
  194    H    GLY  39           H        GLY  39 -15.108  -0.373  -6.110
  195   1HA   GLY  39          1HA       GLY  39 -17.184   1.059  -4.709
  196   2HA   GLY  39          2HA       GLY  39 -16.715  -0.618  -4.454
  197    H    LYS  40           H        LYS  40 -15.696   2.712  -3.845
  198    HA   LYS  40           HA       LYS  40 -13.724   1.953  -1.907
  199   1HB   LYS  40          1HB       LYS  40 -14.445   4.314  -3.345
  200   2HB   LYS  40          2HB       LYS  40 -14.416   4.697  -1.629
  201   1HG   LYS  40          1HG       LYS  40 -12.189   4.527  -1.498
  202   2HG   LYS  40          2HG       LYS  40 -12.132   3.118  -2.558
  203   1HD   LYS  40          1HD       LYS  40 -11.020   4.803  -3.748
  204   2HD   LYS  40          2HD       LYS  40 -12.631   4.742  -4.464
  205   1HE   LYS  40          1HE       LYS  40 -12.483   6.989  -4.184
  206   2HE   LYS  40          2HE       LYS  40 -13.091   6.573  -2.582
  207   1HZ   LYS  40          1HZ       LYS  40 -11.320   7.880  -2.042
  208   2HZ   LYS  40          2HZ       LYS  40 -10.403   7.418  -3.387
  209   3HZ   LYS  40          3HZ       LYS  40 -10.544   6.368  -2.062
  210    H    THR  41           H        THR  41 -14.920   0.749  -0.390
  211    HA   THR  41           HA       THR  41 -17.141   1.690   1.039
  212    HB   THR  41           HB       THR  41 -15.171  -0.062   2.419
  213    HG1  THR  41           HG1      THR  41 -15.432  -1.720   1.013
  214   1HG2  THR  41          1HG2      THR  41 -18.156  -0.089   1.991
  215   2HG2  THR  41          2HG2      THR  41 -17.286   0.263   3.483
  216   3HG2  THR  41          3HG2      THR  41 -17.276  -1.372   2.824
  217    H    ARG  42           H        ARG  42 -17.356   3.108   2.636
  218    HA   ARG  42           HA       ARG  42 -14.989   4.481   3.618
  219   1HB   ARG  42          1HB       ARG  42 -17.071   5.692   2.881
  220   2HB   ARG  42          2HB       ARG  42 -17.887   5.017   4.284
  221   1HG   ARG  42          1HG       ARG  42 -15.923   6.098   5.602
  222   2HG   ARG  42          2HG       ARG  42 -15.749   7.089   4.153
  223   1HD   ARG  42          1HD       ARG  42 -17.539   8.309   4.669
  224   2HD   ARG  42          2HD       ARG  42 -18.512   6.872   4.984
  225    HE   ARG  42           HE       ARG  42 -17.642   6.881   7.251
  226   1HH1  ARG  42          1HH1      ARG  42 -17.047   9.772   5.368
  227   2HH1  ARG  42          2HH1      ARG  42 -16.940  10.810   6.761
  228   1HH2  ARG  42          1HH2      ARG  42 -17.479   8.215   9.079
  229   2HH2  ARG  42          2HH2      ARG  42 -17.193   9.921   8.887
  230    H    GLY  43           H        GLY  43 -13.987   3.116   5.030
  231   1HA   GLY  43          1HA       GLY  43 -15.567   1.931   7.195
  232   2HA   GLY  43          2HA       GLY  43 -13.899   1.541   6.796
  233    H    GLY  44           H        GLY  44 -12.763   4.043   6.708
  234   1HA   GLY  44          1HA       GLY  44 -12.216   5.905   8.013
  235   2HA   GLY  44          2HA       GLY  44 -13.375   5.374   9.223
  236    H    GLU  45           H        GLU  45 -11.317   2.884   8.187
  237    HA   GLU  45           HA       GLU  45  -9.443   3.425  10.382
  238   1HB   GLU  45          1HB       GLU  45 -11.390   1.442  10.437
  239   2HB   GLU  45          2HB       GLU  45  -9.919   0.585   9.988
  240   1HG   GLU  45          1HG       GLU  45  -8.857   1.853  11.971
  241   2HG   GLU  45          2HG       GLU  45 -10.522   2.123  12.480
  242    H    LEU  46           H        LEU  46  -7.515   3.650   9.557
  243    HA   LEU  46           HA       LEU  46  -6.790   2.533   6.998
  244   1HB   LEU  46          1HB       LEU  46  -5.172   4.116   8.994
  245   2HB   LEU  46          2HB       LEU  46  -4.665   3.706   7.369
  246    HG   LEU  46           HG       LEU  46  -6.870   5.597   8.178
  247   1HD1  LEU  46          1HD1      LEU  46  -5.346   6.984   6.513
  248   2HD1  LEU  46          2HD1      LEU  46  -4.979   6.860   8.235
  249   3HD1  LEU  46          3HD1      LEU  46  -4.128   5.838   7.075
  250   1HD2  LEU  46          1HD2      LEU  46  -6.119   4.906   5.346
  251   2HD2  LEU  46          2HD2      LEU  46  -7.469   4.142   6.189
  252   3HD2  LEU  46          3HD2      LEU  46  -7.472   5.886   5.914
  253    H    TYR  47           H        TYR  47  -6.774   0.216   7.422
  254    HA   TYR  47           HA       TYR  47  -4.235  -0.480   8.693
  255   1HB   TYR  47          1HB       TYR  47  -5.496  -1.688  10.150
  256   2HB   TYR  47          2HB       TYR  47  -6.875  -1.751   9.058
  257    HD1  TYR  47           HD1      TYR  47  -7.443  -3.802   8.141
  258    HD2  TYR  47           HD2      TYR  47  -3.425  -3.166   9.378
  259    HE1  TYR  47           HE1      TYR  47  -6.898  -6.124   7.546
  260    HE2  TYR  47           HE2      TYR  47  -2.869  -5.480   8.789
  261    HH   TYR  47           HH       TYR  47  -4.137  -7.265   6.917
  262    H    ALA  48           H        ALA  48  -2.794  -0.898   7.272
  263    HA   ALA  48           HA       ALA  48  -3.123  -3.174   5.515
  264   1HB   ALA  48          1HB       ALA  48  -2.609  -2.169   3.486
  265   2HB   ALA  48          2HB       ALA  48  -3.643  -0.943   4.217
  266   3HB   ALA  48          3HB       ALA  48  -1.888  -0.748   4.246
  267    H    VAL  49           H        VAL  49  -1.440  -4.382   6.317
  268    HA   VAL  49           HA       VAL  49   0.754  -2.900   7.543
  269    HB   VAL  49           HB       VAL  49  -0.106  -4.489   9.045
  270   1HG1  VAL  49          1HG1      VAL  49  -1.012  -6.468   8.539
  271   2HG1  VAL  49          2HG1      VAL  49  -0.972  -5.876   6.878
  272   3HG1  VAL  49          3HG1      VAL  49   0.318  -6.923   7.474
  273   1HG2  VAL  49          1HG2      VAL  49   1.860  -5.307   9.722
  274   2HG2  VAL  49          2HG2      VAL  49   2.048  -6.293   8.272
  275   3HG2  VAL  49          3HG2      VAL  49   2.532  -4.598   8.256
  276    H    LEU  50           H        LEU  50   2.739  -2.776   6.731
  277    HA   LEU  50           HA       LEU  50   3.428  -4.568   4.522
  278   1HB   LEU  50          1HB       LEU  50   3.757  -2.063   4.297
  279   2HB   LEU  50          2HB       LEU  50   5.021  -2.205   5.506
  280    HG   LEU  50           HG       LEU  50   5.728  -4.126   3.650
  281   1HD1  LEU  50          1HD1      LEU  50   4.316  -1.873   2.318
  282   2HD1  LEU  50          2HD1      LEU  50   5.762  -2.538   1.563
  283   3HD1  LEU  50          3HD1      LEU  50   4.377  -3.581   1.886
  284   1HD2  LEU  50          1HD2      LEU  50   6.726  -1.305   3.491
  285   2HD2  LEU  50          2HD2      LEU  50   7.062  -2.312   4.897
  286   3HD2  LEU  50          3HD2      LEU  50   7.619  -2.812   3.300
  287    H    HIS  51           H        HIS  51   4.524  -6.293   4.975
  288    HA   HIS  51           HA       HIS  51   6.108  -6.444   7.432
  289   1HB   HIS  51          1HB       HIS  51   5.726  -8.708   5.482
  290   2HB   HIS  51          2HB       HIS  51   6.109  -8.795   7.197
  291    HD1  HIS  51           HD1      HIS  51   4.108  -8.552   8.867
  292    HD2  HIS  51           HD2      HIS  51   3.056  -8.570   4.851
  293    HE1  HIS  51           HE1      HIS  51   1.626  -8.978   8.817
  294    HE2  HIS  51           HE2      HIS  51   1.069  -9.246   6.371
  295    H    SER  52           H        SER  52   8.253  -6.482   7.394
  296    HA   SER  52           HA       SER  52   9.573  -6.322   4.770
  297   1HB   SER  52          1HB       SER  52  10.987  -5.503   7.263
  298   2HB   SER  52          2HB       SER  52  11.079  -4.815   5.645
  299    HG   SER  52           HG       SER  52   8.659  -4.599   7.035
  300    H    THR  53           H        THR  53  10.220  -8.320   4.236
  301    HA   THR  53           HA       THR  53  11.516  -9.990   6.276
  302    HB   THR  53           HB       THR  53  11.171 -11.447   3.876
  303    HG1  THR  53           HG1      THR  53   8.813 -11.178   3.722
  304   1HG2  THR  53          1HG2      THR  53  10.675 -12.904   5.488
  305   2HG2  THR  53          2HG2      THR  53   9.107 -12.118   5.672
  306   3HG2  THR  53          3HG2      THR  53  10.475 -11.597   6.657
  307    H    ASN  54           H        ASN  54  13.619  -9.284   6.281
  308    HA   ASN  54           HA       ASN  54  15.361 -10.158   4.250
  309   1HB   ASN  54          1HB       ASN  54  14.159  -7.817   3.490
  310   2HB   ASN  54          2HB       ASN  54  15.624  -7.231   4.271
  311   1HD2  ASN  54          1HD2      ASN  54  14.285  -8.597   1.504
  312   2HD2  ASN  54          2HD2      ASN  54  15.748  -8.847   0.629
  313    H    VAL  55           H        VAL  55  17.612  -8.997   4.553
  314    HA   VAL  55           HA       VAL  55  18.288  -9.284   7.332
  315    HB   VAL  55           HB       VAL  55  20.149  -8.219   5.221
  316   1HG1  VAL  55          1HG1      VAL  55  21.426  -8.239   7.070
  317   2HG1  VAL  55          2HG1      VAL  55  20.381  -9.385   7.911
  318   3HG1  VAL  55          3HG1      VAL  55  21.559  -9.966   6.732
  319   1HG2  VAL  55          1HG2      VAL  55  20.082 -11.143   5.645
  320   2HG2  VAL  55          2HG2      VAL  55  18.750 -10.459   4.714
  321   3HG2  VAL  55          3HG2      VAL  55  20.412 -10.213   4.184
  322    H    ASN  56           H        ASN  56  18.798  -6.656   4.986
  323    HA   ASN  56           HA       ASN  56  19.284  -4.705   7.028
  324   1HB   ASN  56          1HB       ASN  56  19.068  -3.095   5.013
  325   2HB   ASN  56          2HB       ASN  56  20.393  -4.263   4.991
  326   1HD2  ASN  56          1HD2      ASN  56  17.826  -2.991   3.278
  327   2HD2  ASN  56          2HD2      ASN  56  17.715  -4.203   2.043
  328    H    ALA  57           H        ALA  57  16.559  -6.138   5.865
  329    HA   ALA  57           HA       ALA  57  14.628  -4.765   4.925
  330   1HB   ALA  57          1HB       ALA  57  13.500  -6.491   5.697
  331   2HB   ALA  57          2HB       ALA  57  14.673  -6.744   6.989
  332   3HB   ALA  57          3HB       ALA  57  13.322  -5.636   7.228
  333    H    ASP  58           H        ASP  58  15.124  -2.520   5.127
  334    HA   ASP  58           HA       ASP  58  13.450  -1.371   7.233
  335   1HB   ASP  58          1HB       ASP  58  14.882   0.582   7.434
  336   2HB   ASP  58          2HB       ASP  58  15.827  -0.858   7.763
  337    H    MET  59           H        MET  59  11.975  -1.880   5.396
  338    HA   MET  59           HA       MET  59  12.273  -0.012   3.136
  339   1HB   MET  59          1HB       MET  59  10.800  -2.650   3.352
  340   2HB   MET  59          2HB       MET  59  10.689  -1.581   1.964
  341   1HG   MET  59          1HG       MET  59  12.396  -2.698   1.107
  342   2HG   MET  59          2HG       MET  59  13.409  -1.913   2.317
  343   1HE   MET  59          1HE       MET  59  11.205  -5.649   3.606
  344   2HE   MET  59          2HE       MET  59  10.551  -4.225   2.801
  345   3HE   MET  59          3HE       MET  59  11.273  -5.523   1.849
  346    H    THR  60           H        THR  60  10.820   1.554   2.934
  347    HA   THR  60           HA       THR  60   8.975   1.811   5.152
  348    HB   THR  60           HB       THR  60   9.117   4.011   3.222
  349    HG1  THR  60           HG1      THR  60  11.464   3.238   4.667
  350   1HG2  THR  60          1HG2      THR  60   8.427   5.003   5.099
  351   2HG2  THR  60          2HG2      THR  60  10.053   4.776   5.748
  352   3HG2  THR  60          3HG2      THR  60   8.805   3.565   6.049
  353    H    LEU  61           H        LEU  61   6.942   1.131   4.923
  354    HA   LEU  61           HA       LEU  61   5.558   1.471   2.397
  355   1HB   LEU  61          1HB       LEU  61   4.794  -0.394   3.653
  356   2HB   LEU  61          2HB       LEU  61   4.721   0.536   5.138
  357    HG   LEU  61           HG       LEU  61   2.901   1.901   3.760
  358   1HD1  LEU  61          1HD1      LEU  61   2.776  -0.864   2.574
  359   2HD1  LEU  61          2HD1      LEU  61   1.552   0.392   2.390
  360   3HD1  LEU  61          3HD1      LEU  61   3.164   0.624   1.712
  361   1HD2  LEU  61          1HD2      LEU  61   1.477   1.040   5.259
  362   2HD2  LEU  61          2HD2      LEU  61   1.765  -0.615   4.724
  363   3HD2  LEU  61          3HD2      LEU  61   2.880   0.153   5.854
  364    H    ILE  62           H        ILE  62   5.295   3.556   1.875
  365    HA   ILE  62           HA       ILE  62   4.530   5.333   4.069
  366    HB   ILE  62           HB       ILE  62   6.233   6.603   3.471
  367   1HG1  ILE  62          1HG1      ILE  62   5.902   7.597   0.941
  368   2HG1  ILE  62          2HG1      ILE  62   4.260   7.121   1.369
  369   1HG2  ILE  62          1HG2      ILE  62   6.612   5.456   0.748
  370   2HG2  ILE  62          2HG2      ILE  62   7.809   6.047   1.900
  371   3HG2  ILE  62          3HG2      ILE  62   7.006   4.501   2.176
  372   1HD1  ILE  62          1HD1      ILE  62   6.022   8.890   3.041
  373   2HD1  ILE  62          2HD1      ILE  62   4.774   9.457   1.929
  374   3HD1  ILE  62          3HD1      ILE  62   4.328   8.492   3.336
  375    H    LEU  63           H        LEU  63   2.720   6.305   4.069
  376    HA   LEU  63           HA       LEU  63   0.711   5.758   2.087
  377   1HB   LEU  63          1HB       LEU  63   0.805   6.279   4.771
  378   2HB   LEU  63          2HB       LEU  63   0.174   7.790   4.140
  379    HG   LEU  63           HG       LEU  63  -1.028   5.074   3.670
  380   1HD1  LEU  63          1HD1      LEU  63  -1.983   5.198   5.667
  381   2HD1  LEU  63          2HD1      LEU  63  -1.065   6.668   5.998
  382   3HD1  LEU  63          3HD1      LEU  63  -2.665   6.771   5.261
  383   1HD2  LEU  63          1HD2      LEU  63  -1.675   6.524   1.906
  384   2HD2  LEU  63          2HD2      LEU  63  -3.036   6.431   3.034
  385   3HD2  LEU  63          3HD2      LEU  63  -1.984   7.850   3.030
  386    H    LEU  64           H        LEU  64   0.147   7.086   0.451
  387    HA   LEU  64           HA       LEU  64   1.723   9.532   0.281
  388   1HB   LEU  64          1HB       LEU  64   2.401   7.283  -1.023
  389   2HB   LEU  64          2HB       LEU  64   1.399   8.065  -2.233
  390    HG   LEU  64           HG       LEU  64   2.820   9.975  -2.312
  391   1HD1  LEU  64          1HD1      LEU  64   4.735   8.980  -0.299
  392   2HD1  LEU  64          2HD1      LEU  64   4.296  10.633  -0.733
  393   3HD1  LEU  64          3HD1      LEU  64   3.230   9.678   0.298
  394   1HD2  LEU  64          1HD2      LEU  64   3.589   7.763  -3.352
  395   2HD2  LEU  64          2HD2      LEU  64   4.760   9.075  -3.201
  396   3HD2  LEU  64          3HD2      LEU  64   4.778   7.742  -2.048
  397    H    ARG  65           H        ARG  65   1.303  10.567  -1.812
  398    HA   ARG  65           HA       ARG  65  -1.178  11.911  -1.396
  399   1HB   ARG  65          1HB       ARG  65   1.476  12.395  -2.531
  400   2HB   ARG  65          2HB       ARG  65   0.174  13.440  -3.088
  401   1HG   ARG  65          1HG       ARG  65  -0.313  13.822  -0.593
  402   2HG   ARG  65          2HG       ARG  65   1.284  13.127  -0.316
  403   1HD   ARG  65          1HD       ARG  65   1.209  15.637  -0.452
  404   2HD   ARG  65          2HD       ARG  65   2.348  14.850  -1.544
  405    HE   ARG  65           HE       ARG  65   1.071  15.509  -3.353
  406   1HH1  ARG  65          1HH1      ARG  65  -0.536  16.330  -0.340
  407   2HH1  ARG  65          2HH1      ARG  65  -1.770  17.284  -1.113
  408   1HH2  ARG  65          1HH2      ARG  65  -0.564  16.747  -4.365
  409   2HH2  ARG  65          2HH2      ARG  65  -1.787  17.521  -3.396
  410    H    ASN  66           H        ASN  66  -1.281  13.315  -3.708
  411    HA   ASN  66           HA       ASN  66  -3.291  12.201  -5.169
  412   1HB   ASN  66          1HB       ASN  66  -2.707  13.899  -6.896
  413   2HB   ASN  66          2HB       ASN  66  -2.664  14.570  -5.267
  414   1HD2  ASN  66          1HD2      ASN  66  -0.476  12.996  -7.627
  415   2HD2  ASN  66          2HD2      ASN  66   0.943  13.898  -7.219
  416    H    VAL  67           H        VAL  67  -3.474  11.248  -7.210
  417    HA   VAL  67           HA       VAL  67  -0.993  10.500  -8.581
  418    HB   VAL  67           HB       VAL  67  -1.660   8.426  -7.711
  419   1HG1  VAL  67          1HG1      VAL  67  -4.465   8.522  -8.674
  420   2HG1  VAL  67          2HG1      VAL  67  -3.773   7.703  -7.274
  421   3HG1  VAL  67          3HG1      VAL  67  -4.052   9.445  -7.229
  422   1HG2  VAL  67          1HG2      VAL  67  -1.278   8.535 -10.222
  423   2HG2  VAL  67          2HG2      VAL  67  -2.099   7.101  -9.604
  424   3HG2  VAL  67          3HG2      VAL  67  -3.027   8.380 -10.387
  425    H    GLY  68           H        GLY  68  -0.935  11.330 -10.564
  426   1HA   GLY  68          1HA       GLY  68  -1.742  12.223 -12.570
  427   2HA   GLY  68          2HA       GLY  68  -3.388  11.917 -12.013
  428    H    GLY  69           H        GLY  69  -0.595  13.803 -10.885
  429   1HA   GLY  69          1HA       GLY  69  -2.237  16.204 -10.787
  430   2HA   GLY  69          2HA       GLY  69  -1.687  15.582  -9.236
  431    H    ASN  70           H        ASN  70   0.248  16.229  -8.517
  432    HA   ASN  70           HA       ASN  70   2.130  17.382 -10.462
  433   1HB   ASN  70          1HB       ASN  70   0.580  18.942  -8.842
  434   2HB   ASN  70          2HB       ASN  70   2.025  18.745  -7.853
  435   1HD2  ASN  70          1HD2      ASN  70   0.766  19.898 -10.895
  436   2HD2  ASN  70          2HD2      ASN  70   2.100  20.938 -11.276
  437    H    GLY  71           H        GLY  71   2.827  14.996  -9.875
  438   1HA   GLY  71          1HA       GLY  71   4.816  13.976  -9.205
  439   2HA   GLY  71          2HA       GLY  71   5.167  15.379  -8.209
  440    H    TRP  72           H        TRP  72   5.882  13.510  -6.786
  441    HA   TRP  72           HA       TRP  72   3.599  12.477  -5.231
  442   1HB   TRP  72          1HB       TRP  72   6.165  11.136  -6.053
  443   2HB   TRP  72          2HB       TRP  72   5.258  10.576  -4.651
  444    HD1  TRP  72           HD1      TRP  72   5.485  10.059  -8.279
  445    HE1  TRP  72           HE1      TRP  72   3.453   8.785  -9.174
  446    HE3  TRP  72           HE3      TRP  72   2.489  10.413  -4.186
  447    HZ2  TRP  72           HZ2      TRP  72   0.905   8.012  -8.254
  448    HZ3  TRP  72           HZ3      TRP  72   0.276   9.368  -4.266
  449    HH2  TRP  72           HH2      TRP  72  -0.506   8.207  -6.249
  450    H    GLY  73           H        GLY  73   3.552  13.847  -3.530
  451   1HA   GLY  73          1HA       GLY  73   6.017  14.587  -2.170
  452   2HA   GLY  73          2HA       GLY  73   4.407  15.185  -1.805
  453    H    GLU  74           H        GLU  74   6.763  13.715  -0.356
  454    HA   GLU  74           HA       GLU  74   5.596  11.295   0.644
  455   1HB   GLU  74          1HB       GLU  74   8.119  12.141   0.484
  456   2HB   GLU  74          2HB       GLU  74   7.775  12.709   2.113
  457   1HG   GLU  74          1HG       GLU  74   8.065  10.680   2.929
  458   2HG   GLU  74          2HG       GLU  74   6.857  10.020   1.829
  459    H    ILE  75           H        ILE  75   4.731  10.908   2.727
  460    HA   ILE  75           HA       ILE  75   4.458  13.140   4.536
  461    HB   ILE  75           HB       ILE  75   2.512  13.674   3.431
  462   1HG1  ILE  75          1HG1      ILE  75   1.951  11.903   5.781
  463   2HG1  ILE  75          2HG1      ILE  75   1.808  13.652   5.641
  464   1HG2  ILE  75          1HG2      ILE  75   2.642  11.400   2.141
  465   2HG2  ILE  75          2HG2      ILE  75   1.390  10.925   3.289
  466   3HG2  ILE  75          3HG2      ILE  75   1.136  12.313   2.229
  467   1HD1  ILE  75          1HD1      ILE  75  -0.132  11.531   4.995
  468   2HD1  ILE  75          2HD1      ILE  75  -0.387  13.156   5.633
  469   3HD1  ILE  75          3HD1      ILE  75  -0.093  12.921   3.909
  470    H    LYS  76           H        LYS  76   2.876   9.851   4.227
  471    HA   LYS  76           HA       LYS  76   3.504   9.609   7.101
  472   1HB   LYS  76          1HB       LYS  76   1.119   9.459   6.396
  473   2HB   LYS  76          2HB       LYS  76   1.516   7.995   5.506
  474   1HG   LYS  76          1HG       LYS  76   0.512   7.503   7.675
  475   2HG   LYS  76          2HG       LYS  76   2.159   6.885   7.558
  476   1HD   LYS  76          1HD       LYS  76   2.558   9.383   8.588
  477   2HD   LYS  76          2HD       LYS  76   1.034   8.915   9.344
  478   1HE   LYS  76          1HE       LYS  76   1.994   7.261  10.562
  479   2HE   LYS  76          2HE       LYS  76   3.178   6.880   9.311
  480   1HZ   LYS  76          1HZ       LYS  76   3.290   9.304  11.021
  481   2HZ   LYS  76          2HZ       LYS  76   4.480   8.758   9.947
  482   3HZ   LYS  76          3HZ       LYS  76   4.140   7.874  11.355
  483    H    ARG  77           H        ARG  77   5.338   8.544   7.484
  484    HA   ARG  77           HA       ARG  77   6.010   6.244   5.776
  485   1HB   ARG  77          1HB       ARG  77   7.631   8.124   7.453
  486   2HB   ARG  77          2HB       ARG  77   8.257   6.519   7.099
  487   1HG   ARG  77          1HG       ARG  77   7.901   7.024   4.667
  488   2HG   ARG  77          2HG       ARG  77   7.555   8.689   5.143
  489   1HD   ARG  77          1HD       ARG  77   9.847   8.439   6.422
  490   2HD   ARG  77          2HD       ARG  77  10.121   7.177   5.218
  491    HE   ARG  77           HE       ARG  77   9.781   8.887   3.498
  492   1HH1  ARG  77          1HH1      ARG  77  10.530   9.955   6.756
  493   2HH1  ARG  77          2HH1      ARG  77  11.111  11.514   6.242
  494   1HH2  ARG  77          1HH2      ARG  77  10.531  10.918   2.828
  495   2HH2  ARG  77          2HH2      ARG  77  11.074  12.082   4.002
  496    H    ASN  78           H        ASN  78   5.849   4.248   6.541
  497    HA   ASN  78           HA       ASN  78   6.139   3.686   9.392
  498   1HB   ASN  78          1HB       ASN  78   3.585   3.873   8.125
  499   2HB   ASN  78          2HB       ASN  78   3.896   2.171   8.451
  500   1HD2  ASN  78          1HD2      ASN  78   1.981   2.587   9.834
  501   2HD2  ASN  78          2HD2      ASN  78   2.256   3.133  11.457
  502    H    ASP  79           H        ASP  79   7.596   1.992   9.446
  503    HA   ASP  79           HA       ASP  79   7.233  -0.125   7.467
  504   1HB   ASP  79          1HB       ASP  79   9.584  -0.038   6.776
  505   2HB   ASP  79          2HB       ASP  79   8.690   1.410   6.331
  506    H    ILE  80           H        ILE  80   6.922  -1.728   8.875
  507    HA   ILE  80           HA       ILE  80   9.267  -3.134   9.402
  508    HB   ILE  80           HB       ILE  80   8.377  -3.716  11.879
  509   1HG1  ILE  80          1HG1      ILE  80   8.378  -0.851  12.360
  510   2HG1  ILE  80          2HG1      ILE  80   7.022  -1.336  11.344
  511   1HG2  ILE  80          1HG2      ILE  80  10.367  -1.535  11.297
  512   2HG2  ILE  80          2HG2      ILE  80  10.277  -2.522  12.755
  513   3HG2  ILE  80          3HG2      ILE  80  10.688  -3.268  11.211
  514   1HD1  ILE  80          1HD1      ILE  80   7.690  -2.250  14.120
  515   2HD1  ILE  80          2HD1      ILE  80   6.231  -1.441  13.547
  516   3HD1  ILE  80          3HD1      ILE  80   6.549  -3.113  13.090
  517    H    ASP  81           H        ASP  81   6.493  -3.562  11.350
  518    HA   ASP  81           HA       ASP  81   5.179  -5.268   9.359
  519   1HB   ASP  81          1HB       ASP  81   6.251  -6.435  11.495
  520   2HB   ASP  81          2HB       ASP  81   4.835  -5.774  12.306
  521    H    LYS  82           H        LYS  82   4.683  -2.772   9.201
  522    HA   LYS  82           HA       LYS  82   2.960  -1.849  11.395
  523   1HB   LYS  82          1HB       LYS  82   4.820  -0.558   9.517
  524   2HB   LYS  82          2HB       LYS  82   3.338   0.340   9.815
  525   1HG   LYS  82          1HG       LYS  82   5.278  -0.620  11.908
  526   2HG   LYS  82          2HG       LYS  82   5.108   1.037  11.326
  527   1HD   LYS  82          1HD       LYS  82   2.614   0.720  12.051
  528   2HD   LYS  82          2HD       LYS  82   3.280  -0.566  13.059
  529   1HE   LYS  82          1HE       LYS  82   4.981   1.233  13.807
  530   2HE   LYS  82          2HE       LYS  82   3.809   2.379  13.157
  531   1HZ   LYS  82          1HZ       LYS  82   3.776   1.055  15.632
  532   2HZ   LYS  82          2HZ       LYS  82   2.421   0.551  14.743
  533   3HZ   LYS  82          3HZ       LYS  82   2.678   2.200  15.034
  534    HA   PRO  83           HA       PRO  83  -0.409  -2.219   8.504
  535   1HB   PRO  83          1HB       PRO  83  -2.296  -2.179  10.551
  536   2HB   PRO  83          2HB       PRO  83  -1.501  -3.618   9.915
  537   1HG   PRO  83          1HG       PRO  83  -1.218  -2.502  12.509
  538   2HG   PRO  83          2HG       PRO  83  -0.299  -3.848  11.815
  539   1HD   PRO  83          1HD       PRO  83   0.435  -0.980  12.066
  540   2HD   PRO  83          2HD       PRO  83   1.480  -2.419  12.054
  541    H    LEU  84           H        LEU  84  -0.390  -0.227   7.514
  542    HA   LEU  84           HA       LEU  84  -2.339   1.666   8.636
  543   1HB   LEU  84          1HB       LEU  84   0.444   2.182   7.930
  544   2HB   LEU  84          2HB       LEU  84  -0.659   3.200   7.025
  545    HG   LEU  84           HG       LEU  84   0.003   3.226   9.913
  546   1HD1  LEU  84          1HD1      LEU  84  -0.595   5.696   9.400
  547   2HD1  LEU  84          2HD1      LEU  84   0.896   5.008   8.753
  548   3HD1  LEU  84          3HD1      LEU  84  -0.519   5.178   7.716
  549   1HD2  LEU  84          1HD2      LEU  84  -2.332   4.661   9.870
  550   2HD2  LEU  84          2HD2      LEU  84  -2.749   3.225   8.937
  551   3HD2  LEU  84          3HD2      LEU  84  -2.128   3.060  10.578
  552    H    LYS  85           H        LYS  85  -4.015   1.764   7.261
  553    HA   LYS  85           HA       LYS  85  -3.638   0.945   4.480
  554   1HB   LYS  85          1HB       LYS  85  -5.678   0.347   6.110
  555   2HB   LYS  85          2HB       LYS  85  -6.314   1.828   5.415
  556   1HG   LYS  85          1HG       LYS  85  -5.882   0.796   3.146
  557   2HG   LYS  85          2HG       LYS  85  -5.586  -0.721   4.002
  558   1HD   LYS  85          1HD       LYS  85  -7.900  -0.108   5.134
  559   2HD   LYS  85          2HD       LYS  85  -8.117   0.809   3.642
  560   1HE   LYS  85          1HE       LYS  85  -8.555  -1.043   2.488
  561   2HE   LYS  85          2HE       LYS  85  -7.094  -1.829   3.085
  562   1HZ   LYS  85          1HZ       LYS  85  -9.246  -1.657   5.015
  563   2HZ   LYS  85          2HZ       LYS  85  -8.246  -2.966   4.617
  564   3HZ   LYS  85          3HZ       LYS  85  -9.599  -2.619   3.663
  565    H    TYR  86           H        TYR  86  -5.300   2.236   3.043
  566    HA   TYR  86           HA       TYR  86  -4.829   5.100   3.434
  567   1HB   TYR  86          1HB       TYR  86  -3.918   5.443   1.304
  568   2HB   TYR  86          2HB       TYR  86  -3.110   3.996   1.888
  569    HD1  TYR  86           HD1      TYR  86  -4.227   1.724   1.134
  570    HD2  TYR  86           HD2      TYR  86  -4.803   5.451  -0.820
  571    HE1  TYR  86           HE1      TYR  86  -4.876   0.539  -0.918
  572    HE2  TYR  86           HE2      TYR  86  -5.460   4.278  -2.875
  573    HH   TYR  86           HH       TYR  86  -4.834   1.126  -3.464
  574    H    GLU  87           H        GLU  87  -6.494   6.296   3.113
  575    HA   GLU  87           HA       GLU  87  -8.299   6.299   1.060
  576   1HB   GLU  87          1HB       GLU  87  -8.968   4.219   2.892
  577   2HB   GLU  87          2HB       GLU  87 -10.141   5.511   3.116
  578   1HG   GLU  87          1HG       GLU  87  -9.685   3.736   0.790
  579   2HG   GLU  87          2HG       GLU  87 -11.191   4.338   1.478
  580    H    ASP  88           H        ASP  88 -10.256   7.723   1.672
  581    HA   ASP  88           HA       ASP  88  -9.128   9.959   3.062
  582   1HB   ASP  88          1HB       ASP  88 -10.712   9.997   1.025
  583   2HB   ASP  88          2HB       ASP  88 -12.002   9.801   2.208
  584    H    TYR  89           H        TYR  89  -9.242  10.398   5.109
  585    HA   TYR  89           HA       TYR  89 -10.997   8.949   6.884
  586   1HB   TYR  89          1HB       TYR  89  -8.516  10.223   7.140
  587   2HB   TYR  89          2HB       TYR  89  -9.624  11.208   8.087
  588    HD1  TYR  89           HD1      TYR  89 -11.009  10.046   9.888
  589    HD2  TYR  89           HD2      TYR  89  -7.679   8.203   7.985
  590    HE1  TYR  89           HE1      TYR  89 -10.837   8.449  11.748
  591    HE2  TYR  89           HE2      TYR  89  -7.499   6.600   9.842
  592    HH   TYR  89           HH       TYR  89  -9.738   5.858  11.865
  593    H    TYR  90           H        TYR  90 -11.204  11.677   4.972
  594    HA   TYR  90           HA       TYR  90 -13.331  12.831   6.651
  595   1HB   TYR  90          1HB       TYR  90 -11.142  14.055   5.119
  596   2HB   TYR  90          2HB       TYR  90 -12.713  14.792   4.827
  597    HD1  TYR  90           HD1      TYR  90 -12.652  13.415   8.068
  598    HD2  TYR  90           HD2      TYR  90 -11.296  16.769   5.831
  599    HE1  TYR  90           HE1      TYR  90 -12.426  14.703  10.148
  600    HE2  TYR  90           HE2      TYR  90 -11.068  18.068   7.907
  601    HH   TYR  90           HH       TYR  90 -10.679  17.418  10.457
  602    H    THR  91           H        THR  91 -14.251  14.518   4.472
  603    HA   THR  91           HA       THR  91 -15.538  12.466   2.791
  604    HB   THR  91           HB       THR  91 -17.129  14.845   2.978
  605    HG1  THR  91           HG1      THR  91 -16.594  13.613   5.502
  606   1HG2  THR  91          1HG2      THR  91 -18.134  12.534   4.421
  607   2HG2  THR  91          2HG2      THR  91 -17.477  12.092   2.844
  608   3HG2  THR  91          3HG2      THR  91 -18.753  13.304   2.959
  609    H    SER  92           H        SER  92 -13.255  13.457   1.777
  610    HA   SER  92           HA       SER  92 -14.048  15.666  -0.004
  611   1HB   SER  92          1HB       SER  92 -11.279  15.245  -0.242
  612   2HB   SER  92          2HB       SER  92 -12.088  16.569   0.595
  613    HG   SER  92           HG       SER  92 -11.422  14.044   1.741
  614    H    GLY  93           H        GLY  93 -12.614  12.444   0.099
  615   1HA   GLY  93          1HA       GLY  93 -12.709  10.821  -1.594
  616   2HA   GLY  93          2HA       GLY  93 -13.306  12.045  -2.708
  617    H    LEU  94           H        LEU  94 -10.412  11.795  -0.681
  618    HA   LEU  94           HA       LEU  94  -8.825  12.966  -2.789
  619   1HB   LEU  94          1HB       LEU  94  -8.709  13.163  -0.102
  620   2HB   LEU  94          2HB       LEU  94  -7.508  11.912  -0.361
  621    HG   LEU  94           HG       LEU  94  -6.620  13.646  -2.169
  622   1HD1  LEU  94          1HD1      LEU  94  -7.909  15.420  -0.101
  623   2HD1  LEU  94          2HD1      LEU  94  -6.874  15.933  -1.435
  624   3HD1  LEU  94          3HD1      LEU  94  -8.458  15.233  -1.767
  625   1HD2  LEU  94          1HD2      LEU  94  -6.146  13.713   0.803
  626   2HD2  LEU  94          2HD2      LEU  94  -5.250  12.803  -0.412
  627   3HD2  LEU  94          3HD2      LEU  94  -5.138  14.563  -0.369
  628    H    SER  95           H        SER  95  -6.739  12.031  -3.409
  629    HA   SER  95           HA       SER  95  -6.931   9.116  -3.710
  630   1HB   SER  95          1HB       SER  95  -4.952  10.143  -5.449
  631   2HB   SER  95          2HB       SER  95  -6.544   9.519  -5.882
  632    HG   SER  95           HG       SER  95  -7.291  11.505  -6.088
  633    H    TRP  96           H        TRP  96  -5.391   7.848  -2.899
  634    HA   TRP  96           HA       TRP  96  -2.922   9.044  -1.841
  635   1HB   TRP  96          1HB       TRP  96  -4.210   6.751  -0.398
  636   2HB   TRP  96          2HB       TRP  96  -3.143   7.992   0.236
  637    HD1  TRP  96           HD1      TRP  96  -6.812   7.728  -1.021
  638    HE1  TRP  96           HE1      TRP  96  -8.249   9.301   0.413
  639    HE3  TRP  96           HE3      TRP  96  -3.125   9.770   1.871
  640    HZ2  TRP  96           HZ2      TRP  96  -7.871  11.159   2.510
  641    HZ3  TRP  96           HZ3      TRP  96  -3.747  11.432   3.574
  642    HH2  TRP  96           HH2      TRP  96  -6.072  12.108   3.887
  643    H    ILE  97           H        ILE  97  -1.078   7.817  -2.257
  644    HA   ILE  97           HA       ILE  97  -1.633   5.131  -3.394
  645    HB   ILE  97           HB       ILE  97  -0.323   7.212  -4.626
  646   1HG1  ILE  97          1HG1      ILE  97   0.400   5.347  -6.241
  647   2HG1  ILE  97          2HG1      ILE  97  -0.388   4.249  -5.114
  648   1HG2  ILE  97          1HG2      ILE  97   1.623   6.676  -3.080
  649   2HG2  ILE  97          2HG2      ILE  97   1.820   5.203  -4.036
  650   3HG2  ILE  97          3HG2      ILE  97   1.959   6.786  -4.807
  651   1HD1  ILE  97          1HD1      ILE  97  -1.585   6.332  -6.874
  652   2HD1  ILE  97          2HD1      ILE  97  -2.050   4.645  -6.645
  653   3HD1  ILE  97          3HD1      ILE  97  -2.419   5.839  -5.400
  654    H    TRP  98           H        TRP  98  -0.121   3.415  -2.950
  655    HA   TRP  98           HA       TRP  98   1.313   3.698  -0.433
  656   1HB   TRP  98          1HB       TRP  98   0.930   1.379  -2.327
  657   2HB   TRP  98          2HB       TRP  98   1.996   1.301  -0.931
  658    HD1  TRP  98           HD1      TRP  98  -0.982  -0.146  -1.701
  659    HE1  TRP  98           HE1      TRP  98  -2.643  -0.298   0.249
  660    HE3  TRP  98           HE3      TRP  98   1.030   3.426   1.421
  661    HZ2  TRP  98           HZ2      TRP  98  -3.055   0.934   2.734
  662    HZ3  TRP  98           HZ3      TRP  98  -0.077   3.855   3.535
  663    HH2  TRP  98           HH2      TRP  98  -2.071   2.633   4.178
  664    H    LYS  99           H        LYS  99   3.333   4.484  -0.412
  665    HA   LYS  99           HA       LYS  99   4.945   4.224  -2.838
  666   1HB   LYS  99          1HB       LYS  99   4.818   6.428  -1.657
  667   2HB   LYS  99          2HB       LYS  99   5.651   5.688  -0.295
  668   1HG   LYS  99          1HG       LYS  99   7.576   5.212  -1.718
  669   2HG   LYS  99          2HG       LYS  99   6.743   5.941  -3.092
  670   1HD   LYS  99          1HD       LYS  99   6.621   7.859  -1.071
  671   2HD   LYS  99          2HD       LYS  99   8.256   7.196  -0.975
  672   1HE   LYS  99          1HE       LYS  99   8.074   7.487  -3.626
  673   2HE   LYS  99          2HE       LYS  99   6.952   8.756  -3.134
  674   1HZ   LYS  99          1HZ       LYS  99   9.830   8.499  -2.485
  675   2HZ   LYS  99          2HZ       LYS  99   8.803   9.523  -1.601
  676   3HZ   LYS  99          3HZ       LYS  99   9.035   9.782  -3.261
  677    H    ILE 100           H        ILE 100   6.097   2.467  -3.042
  678    HA   ILE 100           HA       ILE 100   7.258   1.147  -0.709
  679    HB   ILE 100           HB       ILE 100   7.764   0.383  -3.577
  680   1HG1  ILE 100          1HG1      ILE 100   5.316   0.537  -3.287
  681   2HG1  ILE 100          2HG1      ILE 100   5.843  -1.130  -3.486
  682   1HG2  ILE 100          1HG2      ILE 100   9.166  -0.706  -1.984
  683   2HG2  ILE 100          2HG2      ILE 100   7.786  -1.110  -0.963
  684   3HG2  ILE 100          3HG2      ILE 100   7.970  -1.874  -2.543
  685   1HD1  ILE 100          1HD1      ILE 100   5.237   0.155  -0.832
  686   2HD1  ILE 100          2HD1      ILE 100   4.099  -0.823  -1.759
  687   3HD1  ILE 100          3HD1      ILE 100   5.580  -1.548  -1.139
  688    H    LYS 101           H        LYS 101   8.897   2.229   0.092
  689    HA   LYS 101           HA       LYS 101  11.017   3.116  -1.748
  690   1HB   LYS 101          1HB       LYS 101   9.882   5.090  -0.981
  691   2HB   LYS 101          2HB       LYS 101   9.901   4.522   0.682
  692   1HG   LYS 101          1HG       LYS 101  12.559   4.548   0.083
  693   2HG   LYS 101          2HG       LYS 101  11.960   5.920  -0.854
  694   1HD   LYS 101          1HD       LYS 101  10.685   6.391   1.449
  695   2HD   LYS 101          2HD       LYS 101  12.088   5.526   2.081
  696   1HE   LYS 101          1HE       LYS 101  12.776   7.748   2.109
  697   2HE   LYS 101          2HE       LYS 101  13.467   7.131   0.606
  698   1HZ   LYS 101          1HZ       LYS 101  11.573   8.080  -0.592
  699   2HZ   LYS 101          2HZ       LYS 101  12.444   9.272   0.250
  700   3HZ   LYS 101          3HZ       LYS 101  10.961   8.716   0.862
  701    H    ASN 102           H        ASN 102  13.066   2.582  -1.175
  702    HA   ASN 102           HA       ASN 102  13.465   1.437   1.507
  703   1HB   ASN 102          1HB       ASN 102  13.220  -0.353  -0.211
  704   2HB   ASN 102          2HB       ASN 102  14.599   0.318  -1.057
  705   1HD2  ASN 102          1HD2      ASN 102  15.492  -1.790  -0.811
  706   2HD2  ASN 102          2HD2      ASN 102  16.332  -2.180   0.640
  707    H    ASN 103           H        ASN 103  15.819   1.353   2.112
  708    HA   ASN 103           HA       ASN 103  17.075   3.865   1.187
  709   1HB   ASN 103          1HB       ASN 103  17.289   2.656   3.949
  710   2HB   ASN 103          2HB       ASN 103  17.832   4.254   3.435
  711   1HD2  ASN 103          1HD2      ASN 103  15.244   2.365   4.570
  712   2HD2  ASN 103          2HD2      ASN 103  14.044   3.621   4.616
  713    H    SER 104           H        SER 104  17.624   0.542   2.110
  714    HA   SER 104           HA       SER 104  20.476   0.876   2.373
  715   1HB   SER 104          1HB       SER 104  19.942  -1.830   2.467
  716   2HB   SER 104          2HB       SER 104  19.945  -0.738   3.855
  717    HG   SER 104           HG       SER 104  17.830  -0.850   3.965
  718    H    SER 105           H        SER 105  21.305  -1.637   1.380
  719    HA   SER 105           HA       SER 105  21.667  -1.161  -1.393
  720   1HB   SER 105          1HB       SER 105  22.161  -3.781   0.039
  721   2HB   SER 105          2HB       SER 105  22.997  -3.137  -1.378
  722    HG   SER 105           HG       SER 105  23.573  -1.338   0.169
  723    H    GLU 106           H        GLU 106  21.007  -2.951  -3.044
  724    HA   GLU 106           HA       GLU 106  18.138  -2.942  -2.528
  725   1HB   GLU 106          1HB       GLU 106  17.978  -3.009  -5.016
  726   2HB   GLU 106          2HB       GLU 106  18.807  -1.612  -4.335
  727   1HG   GLU 106          1HG       GLU 106  20.957  -2.610  -4.880
  728   2HG   GLU 106          2HG       GLU 106  20.136  -4.011  -5.569
  729    H    THR 107           H        THR 107  18.856  -5.128  -1.293
  730    HA   THR 107           HA       THR 107  17.262  -6.859  -3.050
  731    HB   THR 107           HB       THR 107  17.916  -8.205  -0.597
  732    HG1  THR 107           HG1      THR 107  20.250  -7.773  -2.124
  733   1HG2  THR 107          1HG2      THR 107  17.856  -9.908  -2.039
  734   2HG2  THR 107          2HG2      THR 107  19.209  -9.245  -2.956
  735   3HG2  THR 107          3HG2      THR 107  17.559  -8.733  -3.323
  736    H    SER 108           H        SER 108  15.205  -5.943  -2.715
  737    HA   SER 108           HA       SER 108  14.424  -5.841   0.118
  738   1HB   SER 108          1HB       SER 108  12.928  -3.868  -1.253
  739   2HB   SER 108          2HB       SER 108  14.148  -3.629  -0.005
  740    HG   SER 108           HG       SER 108  14.743  -3.968  -2.756
  741    H    ASN 109           H        ASN 109  12.885  -7.238   0.477
  742    HA   ASN 109           HA       ASN 109  10.837  -7.657  -1.593
  743   1HB   ASN 109          1HB       ASN 109  12.144  -9.666  -1.349
  744   2HB   ASN 109          2HB       ASN 109  12.007  -9.608   0.402
  745   1HD2  ASN 109          1HD2      ASN 109  11.223 -11.701   0.368
  746   2HD2  ASN 109          2HD2      ASN 109   9.581 -12.047  -0.058
  747    H    TYR 110           H        TYR 110   9.004  -6.706  -1.014
  748    HA   TYR 110           HA       TYR 110   8.421  -6.446   1.856
  749   1HB   TYR 110          1HB       TYR 110   7.116  -4.508   1.366
  750   2HB   TYR 110          2HB       TYR 110   8.631  -4.333   0.491
  751    HD1  TYR 110           HD1      TYR 110   8.671  -4.369  -1.950
  752    HD2  TYR 110           HD2      TYR 110   5.019  -4.884   0.176
  753    HE1  TYR 110           HE1      TYR 110   7.418  -3.989  -4.026
  754    HE2  TYR 110           HE2      TYR 110   3.755  -4.506  -1.897
  755    HH   TYR 110           HH       TYR 110   4.712  -4.836  -4.726
  756    H    SER 111           H        SER 111   6.530  -7.154   2.698
  757    HA   SER 111           HA       SER 111   4.614  -8.392   0.832
  758   1HB   SER 111          1HB       SER 111   4.645  -9.155   3.722
  759   2HB   SER 111          2HB       SER 111   4.224 -10.124   2.308
  760    HG   SER 111           HG       SER 111   6.764  -9.470   2.058
  761    H    LEU 112           H        LEU 112   3.146  -6.813   0.519
  762    HA   LEU 112           HA       LEU 112   2.246  -5.220   2.806
  763   1HB   LEU 112          1HB       LEU 112   2.714  -3.907   0.891
  764   2HB   LEU 112          2HB       LEU 112   1.837  -4.998  -0.165
  765    HG   LEU 112           HG       LEU 112  -0.279  -4.296   1.004
  766   1HD1  LEU 112          1HD1      LEU 112   1.025  -3.412   3.018
  767   2HD1  LEU 112          2HD1      LEU 112   1.311  -1.974   2.037
  768   3HD1  LEU 112          3HD1      LEU 112  -0.338  -2.455   2.436
  769   1HD2  LEU 112          1HD2      LEU 112  -0.112  -3.315  -1.049
  770   2HD2  LEU 112          2HD2      LEU 112  -0.085  -1.879  -0.024
  771   3HD2  LEU 112          3HD2      LEU 112   1.421  -2.527  -0.673
  772    H    ASP 113           H        ASP 113   0.727  -6.173   4.009
  773    HA   ASP 113           HA       ASP 113  -1.275  -7.896   2.762
  774   1HB   ASP 113          1HB       ASP 113  -0.179  -7.543   5.456
  775   2HB   ASP 113          2HB       ASP 113  -1.930  -7.714   5.441
  776    H    ALA 114           H        ALA 114  -2.504  -6.395   1.615
  777    HA   ALA 114           HA       ALA 114  -3.872  -4.335   3.190
  778   1HB   ALA 114          1HB       ALA 114  -3.467  -3.089   1.388
  779   2HB   ALA 114          2HB       ALA 114  -2.963  -4.497   0.450
  780   3HB   ALA 114          3HB       ALA 114  -4.671  -4.060   0.540
  781    H    THR 115           H        THR 115  -6.096  -4.269   3.364
  782    HA   THR 115           HA       THR 115  -7.380  -6.851   3.036
  783    HB   THR 115           HB       THR 115  -9.184  -5.000   4.168
  784    HG1  THR 115           HG1      THR 115  -6.988  -4.811   5.821
  785   1HG2  THR 115          1HG2      THR 115  -9.176  -7.242   4.897
  786   2HG2  THR 115          2HG2      THR 115  -8.587  -6.318   6.279
  787   3HG2  THR 115          3HG2      THR 115  -7.450  -7.206   5.261
  788    H    VAL 116           H        VAL 116  -7.693  -6.878   0.797
  789    HA   VAL 116           HA       VAL 116 -10.092  -5.426  -0.028
  790    HB   VAL 116           HB       VAL 116  -8.918  -5.413  -2.408
  791   1HG1  VAL 116          1HG1      VAL 116  -9.463  -3.493  -0.422
  792   2HG1  VAL 116          2HG1      VAL 116  -7.883  -3.094  -1.099
  793   3HG1  VAL 116          3HG1      VAL 116  -9.285  -3.241  -2.158
  794   1HG2  VAL 116          1HG2      VAL 116  -6.643  -5.454  -0.467
  795   2HG2  VAL 116          2HG2      VAL 116  -6.809  -6.276  -2.019
  796   3HG2  VAL 116          3HG2      VAL 116  -6.515  -4.538  -1.969
  797    H    HIS 117           H        HIS 117 -11.490  -6.690  -1.159
  798    HA   HIS 117           HA       HIS 117 -10.891  -9.484  -1.392
  799   1HB   HIS 117          1HB       HIS 117 -13.136  -8.913  -0.792
  800   2HB   HIS 117          2HB       HIS 117 -13.305  -7.845  -2.180
  801    HD1  HIS 117           HD1      HIS 117 -14.675  -8.831  -3.977
  802    HD2  HIS 117           HD2      HIS 117 -12.628 -11.746  -1.819
  803    HE1  HIS 117           HE1      HIS 117 -15.311 -11.035  -5.024
  804    HE2  HIS 117           HE2      HIS 117 -13.936 -12.764  -3.808
  805    H    ASP 118           H        ASP 118  -9.551 -10.137  -2.949
  806    HA   ASP 118           HA       ASP 118  -9.470  -8.898  -5.542
  807   1HB   ASP 118          1HB       ASP 118  -7.404  -9.820  -4.835
  808   2HB   ASP 118          2HB       ASP 118  -8.149 -11.342  -4.365
  809    H    ASP 119           H        ASP 119 -10.925  -9.247  -7.072
  810    HA   ASP 119           HA       ASP 119 -12.572 -11.649  -7.019
  811   1HB   ASP 119          1HB       ASP 119 -13.721  -9.608  -7.612
  812   2HB   ASP 119          2HB       ASP 119 -12.535  -9.242  -8.860
  813    H    LYS 120           H        LYS 120 -10.409  -9.997  -9.273
  814    HA   LYS 120           HA       LYS 120  -8.763 -12.207  -9.686
  815   1HB   LYS 120          1HB       LYS 120 -11.104 -12.279 -11.319
  816   2HB   LYS 120          2HB       LYS 120  -9.725 -11.928 -12.353
  817   1HG   LYS 120          1HG       LYS 120 -10.330 -14.361 -10.756
  818   2HG   LYS 120          2HG       LYS 120  -9.717 -14.213 -12.404
  819   1HD   LYS 120          1HD       LYS 120  -7.735 -14.775 -11.512
  820   2HD   LYS 120          2HD       LYS 120  -7.687 -13.109 -10.938
  821   1HE   LYS 120          1HE       LYS 120  -9.151 -14.300  -8.980
  822   2HE   LYS 120          2HE       LYS 120  -8.080 -15.621  -9.450
  823   1HZ   LYS 120          1HZ       LYS 120  -7.448 -13.073  -8.158
  824   2HZ   LYS 120          2HZ       LYS 120  -6.312 -13.674  -9.273
  825   3HZ   LYS 120          3HZ       LYS 120  -6.758 -14.606  -7.937
  826    H    GLU 121           H        GLU 121  -8.242  -9.689  -9.008
  827    HA   GLU 121           HA       GLU 121  -7.187  -8.391 -11.418
  828   1HB   GLU 121          1HB       GLU 121  -6.472  -6.647  -9.573
  829   2HB   GLU 121          2HB       GLU 121  -8.119  -6.686 -10.182
  830   1HG   GLU 121          1HG       GLU 121  -7.839  -8.458  -7.938
  831   2HG   GLU 121          2HG       GLU 121  -7.276  -6.840  -7.526
  832    H    ASP 122           H        ASP 122  -6.228  -9.567  -8.233
  833    HA   ASP 122           HA       ASP 122  -4.345 -10.517  -7.427
  834   1HB   ASP 122          1HB       ASP 122  -4.479 -12.077  -9.241
  835   2HB   ASP 122          2HB       ASP 122  -3.767 -10.920 -10.360
  836    H    SER 123           H        SER 123  -3.070  -8.863 -10.328
  837    HA   SER 123           HA       SER 123  -1.100  -7.591  -8.550
  838   1HB   SER 123          1HB       SER 123  -0.766  -8.423 -11.443
  839   2HB   SER 123          2HB       SER 123   0.464  -7.639 -10.451
  840    HG   SER 123           HG       SER 123  -0.705 -10.213 -10.029
  841    H    ASP 124           H        ASP 124  -2.309  -5.694  -8.228
  842    HA   ASP 124           HA       ASP 124  -2.933  -4.040 -10.542
  843   1HB   ASP 124          1HB       ASP 124  -4.285  -4.166  -8.308
  844   2HB   ASP 124          2HB       ASP 124  -3.050  -3.074  -7.694
  845    H    VAL 125           H        VAL 125  -0.316  -4.760 -10.416
  846    HA   VAL 125           HA       VAL 125   1.062  -2.221  -9.877
  847    HB   VAL 125           HB       VAL 125   2.283  -4.945  -9.366
  848   1HG1  VAL 125          1HG1      VAL 125   3.761  -2.995 -10.037
  849   2HG1  VAL 125          2HG1      VAL 125   3.321  -2.264  -8.496
  850   3HG1  VAL 125          3HG1      VAL 125   4.168  -3.809  -8.527
  851   1HG2  VAL 125          1HG2      VAL 125   2.021  -3.289  -7.020
  852   2HG2  VAL 125          2HG2      VAL 125   0.446  -3.630  -7.737
  853   3HG2  VAL 125          3HG2      VAL 125   1.514  -4.959  -7.281
  854    H    LEU 126           H        LEU 126   1.422  -1.548 -11.923
  855    HA   LEU 126           HA       LEU 126   2.913  -3.309 -13.703
  856   1HB   LEU 126          1HB       LEU 126   0.199  -3.107 -13.997
  857   2HB   LEU 126          2HB       LEU 126   0.766  -1.842 -15.071
  858    HG   LEU 126           HG       LEU 126   2.383  -3.892 -15.816
  859   1HD1  LEU 126          1HD1      LEU 126  -0.263  -5.232 -15.465
  860   2HD1  LEU 126          2HD1      LEU 126   1.314  -5.940 -15.808
  861   3HD1  LEU 126          3HD1      LEU 126   0.960  -5.315 -14.199
  862   1HD2  LEU 126          1HD2      LEU 126  -0.318  -3.049 -16.818
  863   2HD2  LEU 126          2HD2      LEU 126   1.271  -2.566 -17.408
  864   3HD2  LEU 126          3HD2      LEU 126   0.696  -4.210 -17.676
  865    H    THR 127           H        THR 127   3.397  -1.993 -15.805
  866    HA   THR 127           HA       THR 127   4.572  -0.299 -16.737
  867    HB   THR 127           HB       THR 127   3.218   1.767 -15.063
  868    HG1  THR 127           HG1      THR 127   1.333   0.840 -15.410
  869   1HG2  THR 127          1HG2      THR 127   3.008   2.903 -17.200
  870   2HG2  THR 127          2HG2      THR 127   3.583   1.467 -18.047
  871   3HG2  THR 127          3HG2      THR 127   4.672   2.355 -16.982
  872    H    LYS 128           H        LYS 128   4.936   2.304 -15.031
  873    HA   LYS 128           HA       LYS 128   6.805   1.391 -13.018
  874   1HB   LYS 128          1HB       LYS 128   8.327   3.304 -14.376
  875   2HB   LYS 128          2HB       LYS 128   8.645   1.581 -14.278
  876   1HG   LYS 128          1HG       LYS 128   6.850   1.659 -16.309
  877   2HG   LYS 128          2HG       LYS 128   7.682   3.200 -16.521
  878   1HD   LYS 128          1HD       LYS 128   8.803   1.494 -17.816
  879   2HD   LYS 128          2HD       LYS 128   9.843   2.004 -16.485
  880   1HE   LYS 128          1HE       LYS 128  10.077  -0.215 -16.165
  881   2HE   LYS 128          2HE       LYS 128   8.542  -0.049 -15.317
  882   1HZ   LYS 128          1HZ       LYS 128   7.991  -1.715 -16.718
  883   2HZ   LYS 128          2HZ       LYS 128   9.115  -1.272 -17.899
  884   3HZ   LYS 128          3HZ       LYS 128   7.648  -0.432 -17.774
  885    H    CYS 129           H        CYS 129   7.735   3.290 -11.815
  886    HA   CYS 129           HA       CYS 129   5.865   5.564 -11.900
  887   1HB   CYS 129          1HB       CYS 129   6.494   3.735  -9.694
  888   2HB   CYS 129          2HB       CYS 129   6.632   5.436  -9.264
  889    HA   PRO 130           HA       PRO 130   9.816   7.627 -12.323
  890   1HB   PRO 130          1HB       PRO 130   8.256  10.058 -12.678
  891   2HB   PRO 130          2HB       PRO 130   9.246   9.191 -13.855
  892   1HG   PRO 130          1HG       PRO 130   6.533   9.303 -13.995
  893   2HG   PRO 130          2HG       PRO 130   7.480   7.940 -14.615
  894   1HD   PRO 130          1HD       PRO 130   5.959   8.183 -12.046
  895   2HD   PRO 130          2HD       PRO 130   6.085   6.802 -13.156
  896    H    VAL 131           H        VAL 131   9.761   7.153  -9.851
  897    HA   VAL 131           HA       VAL 131   9.818   9.769  -8.502
  898    HB   VAL 131           HB       VAL 131   9.420   7.448  -6.731
  899   1HG1  VAL 131          1HG1      VAL 131   7.556   9.552  -6.336
  900   2HG1  VAL 131          2HG1      VAL 131   8.954   9.116  -5.353
  901   3HG1  VAL 131          3HG1      VAL 131   9.131  10.262  -6.682
  902   1HG2  VAL 131          1HG2      VAL 131   7.566   7.936  -8.918
  903   2HG2  VAL 131          2HG2      VAL 131   7.660   6.578  -7.796
  904   3HG2  VAL 131          3HG2      VAL 131   6.797   8.047  -7.334