*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   13-MAY-10   2KXY              
*TITLE     SOLUTION STRUCTURE OF SUR18C FROM STREPTOCOCCUS THERMOPHILUS.         
*TITLE    2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SUR18C               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UNCHARACTERIZED PROTEIN;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SEQUENCE DATABASE RESIDUES 230-321;                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS THERMOPHILUS;                     
*SOURCE   3 ORGANISM_TAXID: 264199;                                              
*SOURCE   4 STRAIN: ATCC BAA-250 / LMG 18311;                                    
*SOURCE   5 GENE: STU1252;                                                       
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET 21-23C                                 
*KEYWDS    BETA STRAND PROTEIN, STRUCTURAL GENOMICS, PSI-2, PROTEIN STRUCTURE    
*KEYWDS   2 INITIATIVE, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, NESG, UNKNOWN  
*KEYWDS   3 FUNCTION                                                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    Y.LIU, H.LEE, R.BELOTE, C.CICCOSANTI, K.HAMILTON, T.ACTON, R.XIAO,    
*AUTHOR   2 J.EVERETT, G.MONTELIONE, J.PRESTEGARD, NORTHEAST STRUCTURAL GENOMICS 
*AUTHOR   3 CONSORTIUM (NESG)                                                    
*REVDAT   1   14-JUL-10 2KXY    0                                                


assign (resid 5 and name c) (resid 6 and name n)
       (resid 6 and name ca) (resid 6 and name c)  1.0 -115.504 98.946 2
assign (resid 6 and name n) (resid 6 and name ca)
       (resid 6 and name c) (resid 7 and name n) 1.0 140.861 39.626 2
assign (resid 7 and name c) (resid 8 and name n)
       (resid 8 and name ca) (resid 8 and name c)  1.0 -131.06 28.784 2
assign (resid 8 and name n) (resid 8 and name ca)
       (resid 8 and name c) (resid 9 and name n) 1.0 151.587 18.548 2
assign (resid 8 and name c) (resid 9 and name n)
       (resid 9 and name ca) (resid 9 and name c)  1.0 -146.591 19.117 2
assign (resid 9 and name n) (resid 9 and name ca)
       (resid 9 and name c) (resid 10 and name n) 1.0 144.332 18.11 2
assign (resid 9 and name c) (resid 10 and name n)
       (resid 10 and name ca) (resid 10 and name c)  1.0 -116.954 23.272 2
assign (resid 10 and name n) (resid 10 and name ca)
       (resid 10 and name c) (resid 11 and name n) 1.0 134.307 19.805 2
assign (resid 10 and name c) (resid 11 and name n)
       (resid 11 and name ca) (resid 11 and name c)  1.0 -121.266 34.054 2
assign (resid 11 and name n) (resid 11 and name ca)
       (resid 11 and name c) (resid 12 and name n) 1.0 131.2 49.127 2
assign (resid 11 and name c) (resid 12 and name n)
       (resid 12 and name ca) (resid 12 and name c)  1.0 -71.026 7.96 2
assign (resid 12 and name n) (resid 12 and name ca)
       (resid 12 and name c) (resid 13 and name n) 1.0 149.775 20.302 2
assign (resid 12 and name c) (resid 13 and name n)
       (resid 13 and name ca) (resid 13 and name c)  1.0 -106.382 94.987 2
assign (resid 13 and name n) (resid 13 and name ca)
       (resid 13 and name c) (resid 14 and name n) 1.0 146.964 45.953 2
assign (resid 13 and name c) (resid 14 and name n)
       (resid 14 and name ca) (resid 14 and name c)  1.0 -129.906 43.227 2
assign (resid 14 and name n) (resid 14 and name ca)
       (resid 14 and name c) (resid 15 and name n) 1.0 146.624 32.706 2
assign (resid 14 and name c) (resid 15 and name n)
       (resid 15 and name ca) (resid 15 and name c)  1.0 -112.041 25.765 2
assign (resid 15 and name n) (resid 15 and name ca)
       (resid 15 and name c) (resid 16 and name n) 1.0 131.149 17.807 2
assign (resid 15 and name c) (resid 16 and name n)
       (resid 16 and name ca) (resid 16 and name c)  1.0 -115.544 36.967 2
assign (resid 16 and name n) (resid 16 and name ca)
       (resid 16 and name c) (resid 17 and name n) 1.0 130.716 22.43 2
assign (resid 16 and name c) (resid 17 and name n)
       (resid 17 and name ca) (resid 17 and name c)  1.0 -93.757 29.561 2
assign (resid 17 and name n) (resid 17 and name ca)
       (resid 17 and name c) (resid 18 and name n) 1.0 123.994 19.468 2
assign (resid 17 and name c) (resid 18 and name n)
       (resid 18 and name ca) (resid 18 and name c)  1.0 -115.798 27.238 2
assign (resid 18 and name n) (resid 18 and name ca)
       (resid 18 and name c) (resid 19 and name n) 1.0 149.172 21.005 2
assign (resid 18 and name c) (resid 19 and name n)
       (resid 19 and name ca) (resid 19 and name c)  1.0 -129.975 111.078 2
assign (resid 19 and name n) (resid 19 and name ca)
       (resid 19 and name c) (resid 20 and name n) 1.0 166.116 27.208 2
assign (resid 19 and name c) (resid 20 and name n)
       (resid 20 and name ca) (resid 20 and name c)  1.0 -112.632 55.651 2
assign (resid 20 and name n) (resid 20 and name ca)
       (resid 20 and name c) (resid 21 and name n) 1.0 136.229 49.777 2
assign (resid 22 and name c) (resid 23 and name n)
       (resid 23 and name ca) (resid 23 and name c)  1.0 -64.885 20.422 2
assign (resid 23 and name n) (resid 23 and name ca)
       (resid 23 and name c) (resid 24 and name n) 1.0 -28.326 18.914 2
assign (resid 23 and name c) (resid 24 and name n)
       (resid 24 and name ca) (resid 24 and name c)  1.0 -89.832 21.935 2
assign (resid 24 and name n) (resid 24 and name ca)
       (resid 24 and name c) (resid 25 and name n) 1.0 -2.086 17.424 2
assign (resid 24 and name c) (resid 25 and name n)
       (resid 25 and name ca) (resid 25 and name c)  1.0 -115.257 52.46 2
assign (resid 25 and name n) (resid 25 and name ca)
       (resid 25 and name c) (resid 26 and name n) 1.0 131.443 38.575 2
assign (resid 25 and name c) (resid 26 and name n)
       (resid 26 and name ca) (resid 26 and name c)  1.0 -99.201 27.035 2
assign (resid 26 and name n) (resid 26 and name ca)
       (resid 26 and name c) (resid 27 and name n) 1.0 -19.195 26.256 2
assign (resid 26 and name c) (resid 27 and name n)
       (resid 27 and name ca) (resid 27 and name c)  1.0 -151.191 45.486 2
assign (resid 27 and name n) (resid 27 and name ca)
       (resid 27 and name c) (resid 28 and name n) 1.0 152.227 44.954 2
assign (resid 27 and name c) (resid 28 and name n)
       (resid 28 and name ca) (resid 28 and name c)  1.0 -133.84 27.926 2
assign (resid 28 and name n) (resid 28 and name ca)
       (resid 28 and name c) (resid 29 and name n) 1.0 133.802 27.459 2
assign (resid 28 and name c) (resid 29 and name n)
       (resid 29 and name ca) (resid 29 and name c)  1.0 -124.203 24.879 2
assign (resid 29 and name n) (resid 29 and name ca)
       (resid 29 and name c) (resid 30 and name n) 1.0 154.414 32.884 2
assign (resid 29 and name c) (resid 30 and name n)
       (resid 30 and name ca) (resid 30 and name c)  1.0 -133.34 24.575 2
assign (resid 30 and name n) (resid 30 and name ca)
       (resid 30 and name c) (resid 31 and name n) 1.0 158.188 20.346 2
assign (resid 30 and name c) (resid 31 and name n)
       (resid 31 and name ca) (resid 31 and name c)  1.0 -141.512 27.718 2
assign (resid 31 and name n) (resid 31 and name ca)
       (resid 31 and name c) (resid 32 and name n) 1.0 150.973 26.199 2
assign (resid 31 and name c) (resid 32 and name n)
       (resid 32 and name ca) (resid 32 and name c)  1.0 -110.982 35.907 2
assign (resid 32 and name n) (resid 32 and name ca)
       (resid 32 and name c) (resid 33 and name n) 1.0 154.607 25.735 2
assign (resid 32 and name c) (resid 33 and name n)
       (resid 33 and name ca) (resid 33 and name c)  1.0 -70.365 19.713 2
assign (resid 33 and name n) (resid 33 and name ca)
       (resid 33 and name c) (resid 34 and name n) 1.0 -21.977 10.727 2
assign (resid 35 and name c) (resid 36 and name n)
       (resid 36 and name ca) (resid 36 and name c)  1.0 -116.604 40.494 2
assign (resid 36 and name n) (resid 36 and name ca)
       (resid 36 and name c) (resid 37 and name n) 1.0 159.075 19.191 2
assign (resid 36 and name c) (resid 37 and name n)
       (resid 37 and name ca) (resid 37 and name c)  1.0 -129.72 21.48 2
assign (resid 37 and name n) (resid 37 and name ca)
       (resid 37 and name c) (resid 38 and name n) 1.0 151.111 18.261 2
assign (resid 37 and name c) (resid 38 and name n)
       (resid 38 and name ca) (resid 38 and name c)  1.0 -103.467 35.589 2
assign (resid 38 and name n) (resid 38 and name ca)
       (resid 38 and name c) (resid 39 and name n) 1.0 138.88 26.486 2
assign (resid 38 and name c) (resid 39 and name n)
       (resid 39 and name ca) (resid 39 and name c)  1.0 -132.165 19.087 2
assign (resid 39 and name n) (resid 39 and name ca)
       (resid 39 and name c) (resid 40 and name n) 1.0 158.413 22.762 2
assign (resid 39 and name c) (resid 40 and name n)
       (resid 40 and name ca) (resid 40 and name c)  1.0 -123.978 24.578 2
assign (resid 40 and name n) (resid 40 and name ca)
       (resid 40 and name c) (resid 41 and name n) 1.0 151.391 14.555 2
assign (resid 40 and name c) (resid 41 and name n)
       (resid 41 and name ca) (resid 41 and name c)  1.0 126.005 98.414 2
assign (resid 41 and name n) (resid 41 and name ca)
       (resid 41 and name c) (resid 42 and name n) 1.0 -179.188 32.17 2
assign (resid 41 and name c) (resid 42 and name n)
       (resid 42 and name ca) (resid 42 and name c)  1.0 -73.651 19.869 2
assign (resid 42 and name n) (resid 42 and name ca)
       (resid 42 and name c) (resid 43 and name n) 1.0 151.48 24.433 2
assign (resid 42 and name c) (resid 43 and name n)
       (resid 43 and name ca) (resid 43 and name c)  1.0 -59.164 7.955 2
assign (resid 43 and name n) (resid 43 and name ca)
       (resid 43 and name c) (resid 44 and name n) 1.0 -38.474 13.726 2
assign (resid 43 and name c) (resid 44 and name n)
       (resid 44 and name ca) (resid 44 and name c)  1.0 -58.557 7.696 2
assign (resid 44 and name n) (resid 44 and name ca)
       (resid 44 and name c) (resid 45 and name n) 1.0 -41.346 13.438 2
assign (resid 44 and name c) (resid 45 and name n)
       (resid 45 and name ca) (resid 45 and name c)  1.0 -66.145 9.969 2
assign (resid 45 and name n) (resid 45 and name ca)
       (resid 45 and name c) (resid 46 and name n) 1.0 -40.348 6.333 2
assign (resid 45 and name c) (resid 46 and name n)
       (resid 46 and name ca) (resid 46 and name c)  1.0 -62.037 11.887 2
assign (resid 46 and name n) (resid 46 and name ca)
       (resid 46 and name c) (resid 47 and name n) 1.0 -44.342 8.837 2
assign (resid 46 and name c) (resid 47 and name n)
       (resid 47 and name ca) (resid 47 and name c)  1.0 -63.324 10.748 2
assign (resid 47 and name n) (resid 47 and name ca)
       (resid 47 and name c) (resid 48 and name n) 1.0 -32.038 13.814 2
assign (resid 47 and name c) (resid 48 and name n)
       (resid 48 and name ca) (resid 48 and name c)  1.0 -92.227 30.898 2
assign (resid 48 and name n) (resid 48 and name ca)
       (resid 48 and name c) (resid 49 and name n) 1.0 -4.609 39.859 2
assign (resid 48 and name c) (resid 49 and name n)
       (resid 49 and name ca) (resid 49 and name c)  1.0 -122.859 52.886 2
assign (resid 49 and name n) (resid 49 and name ca)
       (resid 49 and name c) (resid 50 and name n) 1.0 139.764 47.376 2
assign (resid 51 and name c) (resid 52 and name n)
       (resid 52 and name ca) (resid 52 and name c)  1.0 -102.156 39.565 2
assign (resid 52 and name n) (resid 52 and name ca)
       (resid 52 and name c) (resid 53 and name n) 1.0 125.935 10.52 2
assign (resid 52 and name c) (resid 53 and name n)
       (resid 53 and name ca) (resid 53 and name c)  1.0 -107.487 31.599 2
assign (resid 53 and name n) (resid 53 and name ca)
       (resid 53 and name c) (resid 54 and name n) 1.0 126.134 23.541 2
assign (resid 53 and name c) (resid 54 and name n)
       (resid 54 and name ca) (resid 54 and name c)  1.0 -116.856 36.472 2
assign (resid 54 and name n) (resid 54 and name ca)
       (resid 54 and name c) (resid 55 and name n) 1.0 120.985 25.999 2
assign (resid 54 and name c) (resid 55 and name n)
       (resid 55 and name ca) (resid 55 and name c)  1.0 -68.639 20.148 2
assign (resid 55 and name n) (resid 55 and name ca)
       (resid 55 and name c) (resid 56 and name n) 1.0 144.033 21.367 2
assign (resid 55 and name c) (resid 56 and name n)
       (resid 56 and name ca) (resid 56 and name c)  1.0 -115.696 27.27 2
assign (resid 56 and name n) (resid 56 and name ca)
       (resid 56 and name c) (resid 57 and name n) 1.0 129.208 20.151 2
assign (resid 56 and name c) (resid 57 and name n)
       (resid 57 and name ca) (resid 57 and name c)  1.0 -86.325 24.634 2
assign (resid 57 and name n) (resid 57 and name ca)
       (resid 57 and name c) (resid 58 and name n) 1.0 137.736 50.752 2
assign (resid 57 and name c) (resid 58 and name n)
       (resid 58 and name ca) (resid 58 and name c)  1.0 -99.647 52.387 2
assign (resid 58 and name n) (resid 58 and name ca)
       (resid 58 and name c) (resid 59 and name n) 1.0 0.678999999999998 58.291 2
assign (resid 58 and name c) (resid 59 and name n)
       (resid 59 and name ca) (resid 59 and name c)  1.0 -64.426 16.419 2
assign (resid 59 and name n) (resid 59 and name ca)
       (resid 59 and name c) (resid 60 and name n) 1.0 -23.86 12.505 2
assign (resid 59 and name c) (resid 60 and name n)
       (resid 60 and name ca) (resid 60 and name c)  1.0 -90.863 9.492 2
assign (resid 60 and name n) (resid 60 and name ca)
       (resid 60 and name c) (resid 61 and name n) 1.0 0.792999999999999 12.952 2
assign (resid 60 and name c) (resid 61 and name n)
       (resid 61 and name ca) (resid 61 and name c)  1.0 -106.316 102.453 2
assign (resid 61 and name n) (resid 61 and name ca)
       (resid 61 and name c) (resid 62 and name n) 1.0 148.761 69.445 2
assign (resid 61 and name c) (resid 62 and name n)
       (resid 62 and name ca) (resid 62 and name c)  1.0 -104.779 29.873 2
assign (resid 62 and name n) (resid 62 and name ca)
       (resid 62 and name c) (resid 63 and name n) 1.0 -9.205 26.04 2
assign (resid 62 and name c) (resid 63 and name n)
       (resid 63 and name ca) (resid 63 and name c)  1.0 -138.48 40.793 2
assign (resid 63 and name n) (resid 63 and name ca)
       (resid 63 and name c) (resid 64 and name n) 1.0 144.06 27.679 2
assign (resid 64 and name c) (resid 65 and name n)
       (resid 65 and name ca) (resid 65 and name c)  1.0 -126.24 39.739 2
assign (resid 65 and name n) (resid 65 and name ca)
       (resid 65 and name c) (resid 66 and name n) 1.0 141.916 65.38 2
assign (resid 65 and name c) (resid 66 and name n)
       (resid 66 and name ca) (resid 66 and name c)  1.0 -112.384 39.349 2
assign (resid 66 and name n) (resid 66 and name ca)
       (resid 66 and name c) (resid 67 and name n) 1.0 135.909 27.898 2
assign (resid 66 and name c) (resid 67 and name n)
       (resid 67 and name ca) (resid 67 and name c)  1.0 -139.681 17.307 2
assign (resid 67 and name n) (resid 67 and name ca)
       (resid 67 and name c) (resid 68 and name n) 1.0 142.768 20.567 2
assign (resid 67 and name c) (resid 68 and name n)
       (resid 68 and name ca) (resid 68 and name c)  1.0 -103.835 20.547 2
assign (resid 68 and name n) (resid 68 and name ca)
       (resid 68 and name c) (resid 69 and name n) 1.0 121.683 16.655 2
assign (resid 68 and name c) (resid 69 and name n)
       (resid 69 and name ca) (resid 69 and name c)  1.0 -105.071 28.951 2
assign (resid 69 and name n) (resid 69 and name ca)
       (resid 69 and name c) (resid 70 and name n) 1.0 134.878 33.078 2
assign (resid 69 and name c) (resid 70 and name n)
       (resid 70 and name ca) (resid 70 and name c)  1.0 -91.574 25.888 2
assign (resid 70 and name n) (resid 70 and name ca)
       (resid 70 and name c) (resid 71 and name n) 1.0 137.172 18.059 2
assign (resid 70 and name c) (resid 71 and name n)
       (resid 71 and name ca) (resid 71 and name c)  1.0 -108.79 41.874 2
assign (resid 71 and name n) (resid 71 and name ca)
       (resid 71 and name c) (resid 72 and name n) 1.0 132.289 42.593 2
assign (resid 71 and name c) (resid 72 and name n)
       (resid 72 and name ca) (resid 72 and name c)  1.0 -138.193 24.681 2
assign (resid 72 and name n) (resid 72 and name ca)
       (resid 72 and name c) (resid 73 and name n) 1.0 154.951 12.665 2
assign (resid 72 and name c) (resid 73 and name n)
       (resid 73 and name ca) (resid 73 and name c)  1.0 -122.158 52.676 2
assign (resid 73 and name n) (resid 73 and name ca)
       (resid 73 and name c) (resid 74 and name n) 1.0 138.105 21.706 2
assign (resid 73 and name c) (resid 74 and name n)
       (resid 74 and name ca) (resid 74 and name c)  1.0 -62.522 23.402 2
assign (resid 74 and name n) (resid 74 and name ca)
       (resid 74 and name c) (resid 75 and name n) 1.0 138.495 19.752 2
assign (resid 75 and name c) (resid 76 and name n)
       (resid 76 and name ca) (resid 76 and name c)  1.0 -127.803 26.684 2
assign (resid 76 and name n) (resid 76 and name ca)
       (resid 76 and name c) (resid 77 and name n) 1.0 159.507 10.369 2
assign (resid 76 and name c) (resid 77 and name n)
       (resid 77 and name ca) (resid 77 and name c)  1.0 -132.99 60.359 2
assign (resid 77 and name n) (resid 77 and name ca)
       (resid 77 and name c) (resid 78 and name n) 1.0 139.194 28.375 2
assign (resid 77 and name c) (resid 78 and name n)
       (resid 78 and name ca) (resid 78 and name c)  1.0 -112.759 20.988 2
assign (resid 78 and name n) (resid 78 and name ca)
       (resid 78 and name c) (resid 79 and name n) 1.0 124.134 16.477 2

assign (resid 81 and name c) (resid 82 and name n)
       (resid 82 and name ca) (resid 82 and name c)  1.0 -127.816 29.474 2
assign (resid 82 and name n) (resid 82 and name ca)
       (resid 82 and name c) (resid 83 and name n) 1.0 164.151 21.775 2
assign (resid 82 and name c) (resid 83 and name n)
       (resid 83 and name ca) (resid 83 and name c)  1.0 -141.408 10.393 2
assign (resid 83 and name n) (resid 83 and name ca)
       (resid 83 and name c) (resid 84 and name n) 1.0 149.096 19.802 2
assign (resid 83 and name c) (resid 84 and name n)
       (resid 84 and name ca) (resid 84 and name c)  1.0 -118.246 25.29 2
assign (resid 84 and name n) (resid 84 and name ca)
       (resid 84 and name c) (resid 85 and name n) 1.0 124.866 17.939 2
assign (resid 84 and name c) (resid 85 and name n)
       (resid 85 and name ca) (resid 85 and name c)  1.0 -126.262 23.024 2
assign (resid 85 and name n) (resid 85 and name ca)
       (resid 85 and name c) (resid 86 and name n) 1.0 138.68 22.004 2
assign (resid 85 and name c) (resid 86 and name n)
       (resid 86 and name ca) (resid 86 and name c)  1.0 -102.625 22.244 2
assign (resid 86 and name n) (resid 86 and name ca)
       (resid 86 and name c) (resid 87 and name n) 1.0 126.497 14.961 2
assign (resid 86 and name c) (resid 87 and name n)
       (resid 87 and name ca) (resid 87 and name c)  1.0 -104.306 18.48 2
assign (resid 87 and name n) (resid 87 and name ca)
       (resid 87 and name c) (resid 88 and name n) 1.0 119.465 29.426 2
assign (resid 87 and name c) (resid 88 and name n)
       (resid 88 and name ca) (resid 88 and name c)  1.0 -104.477 26.202 2
assign (resid 88 and name n) (resid 88 and name ca)
       (resid 88 and name c) (resid 89 and name n) 1.0 125.764 24.037 2
assign (resid 88 and name c) (resid 89 and name n)
       (resid 89 and name ca) (resid 89 and name c)  1.0 -110.734 30.292 2
assign (resid 89 and name n) (resid 89 and name ca)
       (resid 89 and name c) (resid 90 and name n) 1.0 123.535 16.743 2
assign (resid 89 and name c) (resid 90 and name n)
       (resid 90 and name ca) (resid 90 and name c)  1.0 -113.339 13.089 2
assign (resid 90 and name n) (resid 90 and name ca)
       (resid 90 and name c) (resid 91 and name n) 1.0 127.983 17.294 2
assign (resid 90 and name c) (resid 91 and name n)
       (resid 91 and name ca) (resid 91 and name c)  1.0 -95.494 42.788 2
assign (resid 91 and name n) (resid 91 and name ca)
       (resid 91 and name c) (resid 92 and name n) 1.0 139.962 24.121 2
assign (resid 91 and name c) (resid 92 and name n)
       (resid 92 and name ca) (resid 92 and name c)  1.0 -97.333 48.513 2
assign (resid 92 and name n) (resid 92 and name ca)
       (resid 92 and name c) (resid 93 and name n) 1.0 131.594 45.981 2
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 6 and name N)
 (resid 6 and name HN) -5.686 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 8 and name N)
 (resid 8 and name HN) -18.49 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 9 and name N)
 (resid 9 and name HN) -21.212 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 10 and name N)
 (resid 10 and name HN) -17.87 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 11 and name N)
 (resid 11 and name HN) -21.464 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 13 and name N)
 (resid 13 and name HN) -8.417 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 14 and name N)
 (resid 14 and name HN) -5.586 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 15 and name N)
 (resid 15 and name HN) -23.066 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 16 and name N)
 (resid 16 and name HN) -25.987 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 17 and name N)
 (resid 17 and name HN) -32.575 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 18 and name N)
 (resid 18 and name HN) -16.193 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 19 and name N)
 (resid 19 and name HN) -2.727 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 20 and name N)
 (resid 20 and name HN) -30.366 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 21 and name N)
 (resid 21 and name HN) -21.751 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 22 and name N)
 (resid 22 and name HN) 8.653 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 23 and name N)
 (resid 23 and name HN) -31.398 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 24 and name N)
 (resid 24 and name HN) -11.197 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 25 and name N)
 (resid 25 and name HN) -13.073 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 26 and name N)
 (resid 26 and name HN) -8.739 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 28 and name N)
 (resid 28 and name HN) -6.425 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 29 and name N)
 (resid 29 and name HN) -3.546 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 30 and name N)
 (resid 30 and name HN) -20.776 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 31 and name N)
 (resid 31 and name HN) -24.084 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 33 and name N)
 (resid 33 and name HN) -27.395 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 34 and name N)
 (resid 34 and name HN) -13.719 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 35 and name N)
 (resid 35 and name HN) -13.507 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 36 and name N)
 (resid 36 and name HN) -11.432 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 37 and name N)
 (resid 37 and name HN) -11.446 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 38 and name N)
 (resid 38 and name HN) -18.358 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 39 and name N)
 (resid 39 and name HN) -27.382 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 40 and name N)
 (resid 40 and name HN) -6.96 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 41 and name N)
 (resid 41 and name HN) -18.312 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 42 and name N)
 (resid 42 and name HN) -11.349 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 44 and name N)
 (resid 44 and name HN) 16.778 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 45 and name N)
 (resid 45 and name HN) 10.495 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 46 and name N)
 (resid 46 and name HN) 34.009 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 47 and name N)
 (resid 47 and name HN) 27.816 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 48 and name N)
 (resid 48 and name HN) -12.094 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 49 and name N)
 (resid 49 and name HN) 23.102 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 50 and name N)
 (resid 50 and name HN) -0.756 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 51 and name N)
 (resid 51 and name HN) -13.647 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 53 and name N)
 (resid 53 and name HN) 9.356 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 54 and name N)
 (resid 54 and name HN) -16.345 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 56 and name N)
 (resid 56 and name HN) -27.109 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 57 and name N)
 (resid 57 and name HN) -13.255 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 58 and name N)
 (resid 58 and name HN) -12.63 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 61 and name N)
 (resid 61 and name HN) -7.804 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 62 and name N)
 (resid 62 and name HN) -24.464 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 63 and name N)
 (resid 63 and name HN) 24.802 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 65 and name N)
 (resid 65 and name HN) -18.457 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 66 and name N)
 (resid 66 and name HN) -20.875 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 67 and name N)
 (resid 67 and name HN) -26.634 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 68 and name N)
 (resid 68 and name HN) -18.334 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 69 and name N)
 (resid 69 and name HN) -20.223 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 71 and name N)
 (resid 71 and name HN) -7.977 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 72 and name N)
 (resid 72 and name HN) 8.576 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 73 and name N)
 (resid 73 and name HN) -1.597 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 75 and name N)
 (resid 75 and name HN) -24.784 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 76 and name N)
 (resid 76 and name HN) 27.562 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 77 and name N)
 (resid 77 and name HN) 4.5 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 79 and name N)
 (resid 79 and name HN) -23.573 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 81 and name N)
 (resid 81 and name HN) -12.309 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 83 and name N)
 (resid 83 and name HN) -10.286 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 84 and name N)
 (resid 84 and name HN) -11.744 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 85 and name N)
 (resid 85 and name HN) -29.668 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 86 and name N)
 (resid 86 and name HN) -13.217 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 87 and name N)
 (resid 87 and name HN) -27.553 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 88 and name N)
 (resid 88 and name HN) 0.632 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 89 and name N)
 (resid 89 and name HN) -12.361 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 90 and name N)
 (resid 90 and name HN) 5.677 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 91 and name N)
 (resid 91 and name HN) -7.739 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 92 and name N)
 (resid 92 and name HN) -23.763 3
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 8 and name N)
 (resid 7 and name C) -4.3065 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 9 and name N)
 (resid 8 and name C) 32.38125 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 10 and name N)
 (resid 9 and name C) -8.75325 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 11 and name N)
 (resid 10 and name C) 12.6885 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 13 and name N)
 (resid 12 and name C) 22.7865 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 14 and name N)
 (resid 13 and name C) -7.656 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 15 and name N)
 (resid 14 and name C) 38.20575 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 16 and name N)
 (resid 15 and name C) -21.0705 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 17 and name N)
 (resid 16 and name C) 22.66275 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 18 and name N)
 (resid 17 and name C) -28.908 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 19 and name N)
 (resid 18 and name C) -0.2145 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 20 and name N)
 (resid 19 and name C) 26.598 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 22 and name N)
 (resid 21 and name C) -11.42625 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 23 and name N)
 (resid 22 and name C) 22.86075 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 24 and name N)
 (resid 23 and name C) -8.93475 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 25 and name N)
 (resid 24 and name C) 30.3765 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 26 and name N)
 (resid 25 and name C) -23.28975 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 27 and name N)
 (resid 26 and name C) 3.88575 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 28 and name N)
 (resid 27 and name C) 40.31775 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 29 and name N)
 (resid 28 and name C) -5.5605 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 30 and name N)
 (resid 29 and name C) 32.175 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 31 and name N)
 (resid 30 and name C) -10.51875 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 33 and name N)
 (resid 32 and name C) -14.817 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 34 and name N)
 (resid 33 and name C) 5.0325 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 35 and name N)
 (resid 34 and name C) -21.351 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 36 and name N)
 (resid 35 and name C) 18.73575 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 37 and name N)
 (resid 36 and name C) 9.1905 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 38 and name N)
 (resid 37 and name C) 3.12675 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 39 and name N)
 (resid 38 and name C) 11.0385 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 40 and name N)
 (resid 39 and name C) -17.48175 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 41 and name N)
 (resid 40 and name C) 22.935 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 42 and name N)
 (resid 41 and name C) -1.70775 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 44 and name N)
 (resid 43 and name C) -9.77625 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 45 and name N)
 (resid 44 and name C) -19.61025 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 47 and name N)
 (resid 46 and name C) 14.29725 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 49 and name N)
 (resid 48 and name C) -9.1245 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 50 and name N)
 (resid 49 and name C) 18.1665 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 51 and name N)
 (resid 50 and name C) -14.157 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 53 and name N)
 (resid 52 and name C) -7.73025 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 54 and name N)
 (resid 53 and name C) 26.829 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 58 and name N)
 (resid 57 and name C) -3.02775 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 60 and name N)
 (resid 59 and name C) -4.4055 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 61 and name N)
 (resid 60 and name C) -25.377 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 62 and name N)
 (resid 61 and name C) 8.1015 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 63 and name N)
 (resid 62 and name C) 14.70975 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 66 and name N)
 (resid 65 and name C) -1.93875 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 67 and name N)
 (resid 66 and name C) 25.76475 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 68 and name N)
 (resid 67 and name C) -9.95775 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 69 and name N)
 (resid 68 and name C) 4.7355 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 71 and name N)
 (resid 70 and name C) 19.23075 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 72 and name N)
 (resid 71 and name C) -7.755 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 73 and name N)
 (resid 72 and name C) 38.42025 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 75 and name N)
 (resid 74 and name C) -2.43375 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 76 and name N)
 (resid 75 and name C) 24.684 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 77 and name N)
 (resid 76 and name C) -6.36075 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 79 and name N)
 (resid 78 and name C) -22.11825 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 81 and name N)
 (resid 80 and name C) -27.6705 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 82 and name N)
 (resid 81 and name C) 8.81925 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 84 and name N)
 (resid 83 and name C) 4.71075 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 85 and name N)
 (resid 84 and name C) 15.279 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 86 and name N)
 (resid 85 and name C) -15.13875 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 87 and name N)
 (resid 86 and name C) 11.29425 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 88 and name N)
 (resid 87 and name C) -24.9645 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 89 and name N)
 (resid 88 and name C) 25.113 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 90 and name N)
 (resid 89 and name C) -13.55475 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 91 and name N)
 (resid 90 and name C) 27.46425 4
assign (resid 500  and name OO )
 (resid 500  and name Z  )
 (resid 500  and name X  )
 (resid 500  and name Y  )
 (resid 92 and name N)
 (resid 91 and name C) -5.1315 4
assign ((residue 46 and name HN)) ((residue 46 and name HG#)) 3.50 1.7 0 
assign ((residue 91 and name HB#)) ((residue 92 and name HN)) 4.14 2.34 0 
assign ((residue 40 and name HB)) ((residue 79 and name HE21)) 5.21 3.41 0 
assign ((residue 40 and name HB)) ((residue 79 and name HE22)) 5.21 3.41 0 
assign ((residue 64 and name HN)) ((residue 91 and name HE22)) 5.59 3.79 0 
assign ((residue 9 and name HE#)) ((residue 10 and name HN)) 5.78 3.98 0 
assign ((residue 20 and name HN)) ((residue 58 and name HG1#)) 6.00 4.2 0 
assign ((residue 20 and name HN)) ((residue 58 and name HG1#)) 6.00 4.2 0 
assign ((residue 22 and name HA)) ((residue 25 and name HN)) 5.14 3.34 0 
assign ((residue 26 and name HN)) ((residue 28 and name HG1#)) 5.74 3.94 0 
assign ((residue 25 and name HB)) ((residue 27 and name HN)) 5.73 3.93 0 
assign ((residue 29 and name HN)) ((residue 88 and name HG#)) 5.38 3.58 0 
assign ((residue 9 and name HB#)) ((residue 39 and name HN)) 4.57 2.77 0 
assign ((residue 45 and name HN)) ((residue 48 and name HN)) 5.25 3.45 0 
assign ((residue 42 and name HA)) ((residue 45 and name HN)) 5.25 3.45 0 
assign ((residue 25 and name HB)) ((residue 91 and name HE22)) 6.00 4.2 0 
assign ((residue 30 and name HN)) ((residue 31 and name HN)) 4.77 2.97 0 
assign ((residue 43 and name HG#)) ((residue 43 and name HE21)) 3.54 1.74 0 
assign ((residue 2 and name HN)) ((residue 2 and name HD1#)) 3.90 2.1 0 
assign ((residue 2 and name HG2#)) ((residue 3 and name HN)) 5.43 3.63 0 
assign ((residue 2 and name HD1#)) ((residue 3 and name HN)) 6.00 4.2 0 
assign ((residue 2 and name HB)) ((residue 3 and name HN)) 5.50 3.7 0 
assign ((residue 3 and name HA)) ((residue 4 and name HN)) 3.38 1.58 0 
assign ((residue 3 and name HB#)) ((residue 4 and name HN)) 4.89 3.09 0 
assign ((residue 4 and name HN)) ((residue 4 and name HB#)) 3.42 1.62 0 
assign ((residue 3 and name HB#)) ((residue 5 and name HN)) 5.99 4.19 0 
assign ((residue 4 and name HA)) ((residue 5 and name HN)) 3.08 1.28 0 
assign ((residue 4 and name HB#)) ((residue 5 and name HN)) 3.55 1.75 0 !+0.1
assign ((residue 5 and name HN)) ((residue 5 and name HD#)) 5.35 3.55 0 
assign ((residue 5 and name HA) or (residue 6 and name HA)) ((residue 6 and name HN)) 2.74 0.94 0 
assign ((residue 6 and name HN)) ((residue 6 and name HB#)) 3.02 1.22 0 
assign ((residue 7 and name HN)) ((residue 8 and name HA)) 5.18 3.38 0 
assign ((residue 7 and name HN)) ((residue 8 and name HB#)) 5.21 3.41 0 
assign ((residue 6 and name HB#)) ((residue 7 and name HN)) 3.07 1.27 0 
assign ((residue 7 and name HN)) ((residue 7 and name HB#)) 3.87 2.07 0 
assign ((residue 6 and name HA)) ((residue 7 and name HN)) 2.81 1.01 0 
assign ((residue 7 and name HN)) ((residue 8 and name HN)) 4.39 2.59 0 !+0.86
assign ((residue 7 and name HN)) ((residue 41 and name HN)) 4.25 2.45 0 !+0.4
assign ((residue 8 and name HN)) ((residue 9 and name HD#)) 4.75 2.95 0 !+0.94
assign ((residue 7 and name HA)) ((residue 8 and name HN)) 2.71 0.91 0 
assign ((residue 8 and name HN)) ((residue 8 and name HB#)) 3.66 1.86 0 
assign ((residue 8 and name HN)) ((residue 9 and name HN)) 4.28 2.48 0 !+0.07
assign ((residue 8 and name HA)) ((residue 9 and name HN)) 3.00 1.2 0 
assign ((residue 8 and name HB#)) ((residue 9 and name HN)) 3.44 1.64 0 
assign ((residue 9 and name HN)) ((residue 9 and name HB#)) 3.82 2.02 0 
assign ((residue 9 and name HN)) ((residue 39 and name HD1#)) 4.36 2.56 0 
assign ((residue 9 and name HN)) ((residue 38 and name HA)) 4.40 2.6 0 
assign ((residue 9 and name HN)) ((residue 38 and name HG#)) 3.68 1.88 0 
assign ((residue 9 and name HN) or (residue 77 and name HN)) ((residue 39 and name HB)) 4.14 2.34 0 !+0.13
assign ((residue 9 and name HN)) ((residue 39 and name HN)) 3.56 1.76 0 
assign ((residue 9 and name HN)) ((residue 40 and name HA)) 4.29 2.49 0 !+0.07
assign ((residue 9 and name HD#)) ((residue 10 and name HN)) 4.77 2.97 0 
assign ((residue 9 and name HG#)) ((residue 10 and name HN)) 3.70 1.9 0 
assign ((residue 9 and name HA)) ((residue 10 and name HN)) 2.90 1.1 0 
assign ((residue 10 and name HN)) ((residue 10 and name HB#)) 3.08 1.28 0 
assign ((residue 10 and name HN)) ((residue 38 and name HA)) 5.25 3.45 0 
assign ((residue 10 and name HN)) ((residue 39 and name HD1#)) 4.79 2.99 0 !+0.27
assign ((residue 11 and name HN)) ((residue 12 and name HA)) 5.37 3.57 0 
assign ((residue 10 and name HB#)) ((residue 11 and name HN)) 3.86 2.06 0 
assign ((residue 10 and name HA)) ((residue 11 and name HN)) 2.99 1.19 0 
assign ((residue 10 and name HN)) ((residue 11 and name HN)) 4.41 2.61 0 !+0.12
assign ((residue 11 and name HN)) ((residue 37 and name HN)) 3.67 1.87 0 
assign ((residue 11 and name HN)) ((residue 38 and name HA)) 4.29 2.49 0 !+0.62
assign ((residue 11 and name HN)) ((residue 39 and name HD1#)) 4.26 2.46 0 !+0.39
assign ((residue 13 and name HN)) ((residue 52 and name HG2#)) 6.29 4.49 0 !+0.7
assign ((residue 12 and name HA)) ((residue 13 and name HN)) 3.14 1.34 0 
assign ((residue 12 and name HB#)) ((residue 13 and name HN)) 3.94 2.14 0 
assign ((residue 12 and name HB#)) ((residue 13 and name HN)) 3.81 2.01 0 
assign ((residue 13 and name HN)) ((residue 13 and name HB)) 3.48 1.68 0 
assign ((residue 13 and name HN)) ((residue 36 and name HA)) 3.79 1.99 0 
assign ((residue 13 and name HN)) ((residue 36 and name HB#)) 6.00 4.2 0 
assign ((residue 13 and name HN)) ((residue 36 and name HB#)) 6.00 4.2 0 
assign ((residue 13 and name HN)) ((residue 37 and name HN)) 5.38 3.58 0 !+0.97
assign ((residue 13 and name HN)) ((residue 52 and name HN)) 5.76 3.96 0 
assign ((residue 13 and name HA)) ((residue 14 and name HN)) 3.02 1.22 0 
assign ((residue 14 and name HN)) ((residue 53 and name HG#)) 5.17 3.37 0 
assign ((residue 13 and name HB)) ((residue 14 and name HN)) 4.14 2.34 0 !+0.17
assign ((residue 13 and name HN)) ((residue 14 and name HN)) 5.02 3.22 0 
assign ((residue 14 and name HN)) ((residue 14 and name HB#)) 3.68 1.88 0 
assign ((residue 14 and name HN)) ((residue 15 and name HN)) 4.50 2.7 0 
assign ((residue 14 and name HN)) ((residue 52 and name HB)) 4.39 2.59 0 
assign ((residue 14 and name HN)) ((residue 53 and name HA)) 3.82 2.02 0 
assign ((residue 14 and name HN)) ((residue 54 and name HN)) 4.28 2.48 0 !+0.24
assign ((residue 14 and name HB#)) ((residue 15 and name HN)) 3.50 1.7 0 
assign ((residue 13 and name HG#)) ((residue 15 and name HN)) 5.70 3.9 0 
assign ((residue 14 and name HG#)) ((residue 15 and name HN)) 4.41 2.61 0 
assign ((residue 15 and name HN)) ((residue 15 and name HB#)) 3.22 1.42 0 
assign ((residue 15 and name HN)) ((residue 15 and name HD#)) 4.77 2.97 0 
assign ((residue 16 and name HN)) ((residue 54 and name HB)) 4.59 2.79 0 !+0.07
assign ((residue 15 and name HB#)) ((residue 16 and name HN)) 3.79 1.99 0 
assign ((residue 15 and name HA)) ((residue 16 and name HN)) 3.06 1.26 0 
assign ((residue 16 and name HN)) ((residue 16 and name HB#)) 3.69 1.89 0 
assign ((residue 16 and name HN)) ((residue 54 and name HN)) 3.73 1.93 0 
assign ((residue 16 and name HN)) ((residue 55 and name HA)) 3.75 1.95 0 
assign ((residue 16 and name HN)) ((residue 55 and name HD#)) 5.12 3.32 0 
assign ((residue 16 and name HN)) ((residue 56 and name HN)) 4.08 2.28 0 !+0.27
assign ((residue 16 and name HA)) ((residue 17 and name HN)) 2.89 1.09 0 
assign ((residue 16 and name HN)) ((residue 17 and name HN)) 4.49 2.69 0 
assign ((residue 17 and name HN)) ((residue 17 and name HB#)) 3.67 1.87 0 
assign ((residue 17 and name HN)) ((residue 17 and name HB#)) 3.67 1.87 0 
assign ((residue 17 and name HN)) ((residue 17 and name HD#)) 4.08 2.28 0 
assign ((residue 17 and name HN)) ((residue 17 and name HD#)) 4.08 2.28 0 
assign ((residue 17 and name HN)) ((residue 18 and name HN)) 4.98 3.18 0 
assign ((residue 17 and name HN)) ((residue 55 and name HA)) 5.74 3.94 0 
assign ((residue 17 and name HA)) ((residue 18 and name HN)) 3.05 1.25 0 
assign ((residue 17 and name HD#)) ((residue 18 and name HN)) 3.80 2 0 
assign ((residue 18 and name HN)) ((residue 18 and name HG#)) 3.53 1.73 0 
assign ((residue 18 and name HN)) ((residue 19 and name HN)) 4.61 2.81 0 
assign ((residue 18 and name HN)) ((residue 55 and name HA)) 5.06 3.26 0 
assign ((residue 18 and name HN)) ((residue 56 and name HN)) 3.79 1.99 0 !+0.02
assign ((residue 17 and name HA) or (residue 57 and name HA)) ((residue 19 and name HN)) 5.18 3.38 0 
assign ((residue 18 and name HA)) ((residue 19 and name HN)) 3.22 1.42 0 
assign ((residue 18 and name HB)) ((residue 19 and name HN)) 3.80 2.0 0 !+0.61
assign ((residue 18 and name HG#)) ((residue 19 and name HN)) 3.71 1.91 0 
assign ((residue 19 and name HA#)) ((residue 20 and name HN)) 3.10 1.3 0 
assign ((residue 19 and name HA#)) ((residue 20 and name HN)) 3.10 1.3 0 
assign ((residue 20 and name HN)) ((residue 20 and name HB#)) 3.44 1.64 0 
assign ((residue 20 and name HN)) ((residue 20 and name HB#)) 3.44 1.64 0 
assign ((residue 20 and name HN)) ((residue 58 and name HD1#)) 4.76 2.96 0 
assign ((residue 20 and name HB#)) ((residue 21 and name HN)) 3.90 2.1 0 
assign ((residue 20 and name HB#)) ((residue 21 and name HN)) 3.90 2.1 0 
assign ((residue 20 and name HN)) ((residue 21 and name HN)) 4.55 2.75 0 !+0.54
assign ((residue 21 and name HN)) ((residue 21 and name HB#)) 3.09 1.29 0 
assign ((residue 21 and name HN)) ((residue 21 and name HE#)) 4.65 2.85 0 
assign ((residue 21 and name HN)) ((residue 21 and name HG#)) 3.38 1.58 0 
assign ((residue 21 and name HN)) ((residue 22 and name HN)) 4.60 2.8 0 
assign ((residue 21 and name HN)) ((residue 58 and name HD1#)) 3.72 1.92 0 
assign ((residue 21 and name HN)) ((residue 58 and name HG2#)) 6.61 4.81 0 !+1.81
assign ((residue 21 and name HA)) ((residue 22 and name HN)) 3.26 1.46 0 
assign ((residue 21 and name HB#)) ((residue 22 and name HN)) 4.14 2.34 0 
assign ((residue 22 and name HN)) ((residue 25 and name HB)) 4.74 2.94 0 
assign ((residue 22 and name HA)) ((residue 23 and name HN)) 2.91 1.11 0 
assign ((residue 22 and name HN)) ((residue 23 and name HN)) 4.79 2.99 0 
assign ((residue 22 and name HB#)) ((residue 23 and name HN)) 3.30 1.5 0 
assign ((residue 23 and name HN)) ((residue 23 and name HB#)) 3.12 1.32 0 
assign ((residue 23 and name HN)) ((residue 25 and name HN)) 5.18 3.38 0 
assign ((residue 22 and name HA)) ((residue 24 and name HN)) 4.36 2.56 0 
assign ((residue 22 and name HB#)) ((residue 24 and name HN)) 3.47 1.67 0 
assign ((residue 23 and name HN)) ((residue 24 and name HN)) 3.93 2.13 0 
assign ((residue 23 and name HB#)) ((residue 24 and name HN)) 3.77 1.97 0 
assign ((residue 24 and name HN)) ((residue 24 and name HB#)) 3.73 1.93 0 
assign ((residue 24 and name HN)) ((residue 24 and name HB#)) 3.73 1.93 0 
assign ((residue 24 and name HN)) ((residue 24 and name HD21)) 5.18 3.38 0 
assign ((residue 24 and name HN)) ((residue 25 and name HB)) 4.61 2.81 0 !+0.39
assign ((residue 24 and name HN)) ((residue 25 and name HN)) 3.34 1.54 0 
assign ((residue 24 and name HN)) ((residue 24 and name HD22)) 5.18 3.38 0 
assign ((residue 24 and name HD21)) ((residue 62 and name HA)) 4.63 2.83 0 
assign ((residue 24 and name HD22)) ((residue 62 and name HA)) 4.63 2.83 0 
assign ((residue 21 and name HB#)) ((residue 25 and name HN)) 5.01 3.21 0 !+0.39
assign ((residue 22 and name HB#)) ((residue 25 and name HN)) 3.87 2.07 0 
assign ((residue 22 and name HN)) ((residue 25 and name HN)) 5.08 3.28 0 
assign ((residue 24 and name HB#)) ((residue 25 and name HN)) 4.91 3.11 0 
assign ((residue 24 and name HB#)) ((residue 25 and name HN)) 4.91 3.11 0 
assign ((residue 25 and name HN)) ((residue 25 and name HB)) 2.96 1.16 0 
assign ((residue 25 and name HN)) ((residue 26 and name HN)) 4.73 2.93 0 
assign ((residue 25 and name HA)) ((residue 26 and name HN)) 3.28 1.48 0 
assign ((residue 25 and name HB)) ((residue 26 and name HN)) 5.08 3.28 0 
assign ((residue 26 and name HN)) ((residue 90 and name HN)) 4.74 2.94 0 
assign ((residue 26 and name HN)) ((residue 91 and name HA)) 3.93 2.13 0 
assign ((residue 27 and name HN)) ((residue 90 and name HB)) 3.58 1.78 0 
assign ((residue 25 and name HA)) ((residue 27 and name HN)) 4.01 2.21 0 
assign ((residue 27 and name HN)) ((residue 28 and name HG1#)) 4.60 2.8 0 
assign ((residue 26 and name HN)) ((residue 27 and name HN)) 3.03 1.23 0 
assign ((residue 26 and name HB#)) ((residue 27 and name HN)) 3.25 1.45 0 
assign ((residue 27 and name HN)) ((residue 27 and name HB#)) 3.74 1.94 0 
assign ((residue 27 and name HN)) ((residue 28 and name HN)) 4.35 2.55 0 !+0.31
assign ((residue 27 and name HN)) ((residue 90 and name HN)) 3.80 2 0 
assign ((residue 27 and name HN)) ((residue 90 and name HG#)) 4.00 2.2 0 
assign ((residue 28 and name HN)) ((residue 29 and name HA)) 5.20 3.4 0 
assign ((residue 28 and name HN)) ((residue 28 and name HG1#)) 3.90 2.1 0 
assign ((residue 28 and name HN)) ((residue 28 and name HG2#)) 3.97 2.17 0 
assign ((residue 21 and name HE#)) ((residue 28 and name HN)) 5.01 3.21 0 
assign ((residue 27 and name HA)) ((residue 28 and name HN)) 2.85 1.05 0 
assign ((residue 27 and name HB#)) ((residue 28 and name HN)) 3.31 1.51 0 
assign ((residue 28 and name HB)) ((residue 29 and name HN)) 4.64 2.84 0 
assign ((residue 28 and name HG1#)) ((residue 29 and name HN)) 5.13 3.33 0 
assign ((residue 28 and name HA)) ((residue 29 and name HN)) 3.02 1.22 0 
assign ((residue 28 and name HN)) ((residue 29 and name HN)) 4.45 2.65 0 
assign ((residue 28 and name HG2#)) ((residue 29 and name HN)) 3.38 1.58 0 
assign ((residue 29 and name HN)) ((residue 29 and name HB#)) 4.05 2.25 0 
assign ((residue 29 and name HN)) ((residue 89 and name HA)) 4.06 2.26 0 
assign ((residue 28 and name HB)) ((residue 30 and name HN)) 6.54 4.74 0 !+0.54
assign ((residue 28 and name HG2#)) ((residue 30 and name HN)) 4.71 2.91 0 
assign ((residue 30 and name HN)) ((residue 87 and name HD#)) 4.71 2.91 0 !+0.07
assign ((residue 29 and name HA)) ((residue 30 and name HN)) 2.88 1.08 0 
assign ((residue 29 and name HN)) ((residue 30 and name HN)) 4.44 2.64 0 !+0.1
assign ((residue 29 and name HB#)) ((residue 30 and name HN)) 3.28 1.48 0 !+0.1
assign ((residue 31 and name HN)) ((residue 87 and name HG)) 6.00 4.2 0 
assign ((residue 31 and name HN)) ((residue 85 and name HG#)) 3.92 2.12 0 
assign ((residue 31 and name HN)) ((residue 85 and name HB)) 5.79 3.99 0 !+0.4
assign ((residue 30 and name HA)) ((residue 31 and name HN)) 3.05 1.25 0 
assign ((residue 31 and name HN)) ((residue 31 and name HB#)) 4.21 2.41 0 
assign ((residue 31 and name HN)) ((residue 85 and name HA)) 4.55 2.75 0 
assign ((residue 31 and name HN)) ((residue 86 and name HN)) 3.63 1.83 0 
assign ((residue 31 and name HN)) ((residue 87 and name HA)) 4.49 2.69 0 
assign ((residue 31 and name HB#)) ((residue 32 and name HN)) 3.36 1.56 0 
assign ((residue 31 and name HA)) ((residue 32 and name HN)) 3.06 1.26 0 
assign ((residue 32 and name HN)) ((residue 32 and name HB#)) 3.92 2.12 0 
assign ((residue 32 and name HN)) ((residue 32 and name HB#)) 3.92 2.12 0 
assign ((residue 32 and name HA)) ((residue 33 and name HN)) 3.16 1.36 0 
assign ((residue 32 and name HB#)) ((residue 33 and name HN)) 3.75 1.95 0 
assign ((residue 32 and name HB#)) ((residue 33 and name HN)) 3.75 1.95 0 
assign ((residue 33 and name HN)) ((residue 33 and name HB#)) 3.30 1.5 0 
assign ((residue 33 and name HN)) ((residue 83 and name HB)) 5.31 3.51 0 
assign ((residue 33 and name HN)) ((residue 84 and name HB#)) 4.17 2.37 0 
assign ((residue 32 and name HA)) ((residue 34 and name HN)) 4.27 2.47 0 
assign ((residue 34 and name HN)) ((residue 83 and name HG#)) 4.87 3.07 0 
assign ((residue 34 and name HN)) ((residue 85 and name HG#)) 6.00 4.2 0 
assign ((residue 33 and name HA)) ((residue 34 and name HN)) 3.53 1.73 0 !+0.14
assign ((residue 33 and name HN)) ((residue 34 and name HN)) 3.19 1.39 0 
assign ((residue 34 and name HN)) ((residue 34 and name HG#)) 3.45 1.65 0 
assign ((residue 34 and name HN)) ((residue 35 and name HN)) 5.18 3.38 0 
assign ((residue 34 and name HN)) ((residue 83 and name HB)) 4.81 3.01 0 
assign ((residue 34 and name HG#)) ((residue 35 and name HN)) 5.14 3.34 0 
assign ((residue 34 and name HB#)) ((residue 36 and name HN)) 4.76 2.96 0 
assign ((residue 34 and name HB#)) ((residue 36 and name HN)) 4.76 2.96 0 
assign ((residue 34 and name HG#)) ((residue 36 and name HN)) 4.64 2.84 0 !+0.02
assign ((residue 34 and name HA)) ((residue 36 and name HN)) 4.12 2.32 0 !+0.02
assign ((residue 34 and name HD#)) ((residue 36 and name HN)) 5.31 3.51 0 
assign ((residue 35 and name HN)) ((residue 36 and name HN)) 3.59 1.79 0 
assign ((residue 36 and name HN)) ((residue 36 and name HB#)) 3.77 1.97 0 
assign ((residue 36 and name HN)) ((residue 36 and name HB#)) 3.77 1.97 0 
assign ((residue 36 and name HN)) ((residue 37 and name HN)) 4.32 2.52 0 
assign ((residue 10 and name HB#)) ((residue 37 and name HN)) 4.86 3.06 0 
assign ((residue 36 and name HB#)) ((residue 37 and name HN)) 4.00 2.2 0 
assign ((residue 37 and name HN)) ((residue 39 and name HD1#)) 6.46 4.66 0 !+0.77
assign ((residue 10 and name HA)) ((residue 37 and name HN)) 4.53 2.73 0 
assign ((residue 36 and name HA)) ((residue 37 and name HN)) 3.17 1.37 0 
assign ((residue 36 and name HB#)) ((residue 37 and name HN)) 4.00 2.2 0 
assign ((residue 37 and name HN)) ((residue 37 and name HG#)) 4.30 2.5 0 
assign ((residue 37 and name HN)) ((residue 38 and name HN)) 4.81 3.01 0 
assign ((residue 37 and name HG#)) ((residue 38 and name HN)) 3.85 2.05 0 
assign ((residue 10 and name HA)) ((residue 38 and name HN)) 5.47 3.67 0 
assign ((residue 37 and name HA)) ((residue 38 and name HN)) 3.41 1.61 0 
assign ((residue 37 and name HB)) ((residue 38 and name HN)) 3.33 1.53 0 
assign ((residue 37 and name HG#)) ((residue 38 and name HN)) 3.85 2.05 0 
assign ((residue 38 and name HN)) ((residue 38 and name HG#)) 4.03 2.23 0 
assign ((residue 38 and name HN)) ((residue 80 and name HD#)) 4.43 2.63 0 
assign ((residue 10 and name HA)) ((residue 39 and name HN)) 3.95 2.15 0 
assign ((residue 8 and name HB#)) ((residue 39 and name HN)) 4.89 3.09 0 
assign ((residue 10 and name HB#)) ((residue 39 and name HN)) 5.29 3.49 0 !+0.1
assign ((residue 38 and name HA)) ((residue 39 and name HN)) 3.24 1.44 0 
assign ((residue 39 and name HN)) ((residue 39 and name HB)) 3.73 1.93 0 !+0.02
assign ((residue 39 and name HN)) ((residue 39 and name HD1#)) 3.73 1.93 0 !+0.2
assign ((residue 39 and name HN)) ((residue 78 and name HA)) 5.11 3.31 0 !+0.2
assign ((residue 39 and name HG1#)) ((residue 40 and name HN)) 4.95 3.15 0 
assign ((residue 39 and name HA)) ((residue 40 and name HN)) 3.24 1.44 0 
assign ((residue 39 and name HB)) ((residue 40 and name HN)) 3.89 2.09 0 
assign ((residue 39 and name HN)) ((residue 40 and name HN)) 4.93 3.13 0 
assign ((residue 40 and name HN)) ((residue 40 and name HB)) 3.67 1.87 0 
assign ((residue 40 and name HN)) ((residue 76 and name HA)) 4.63 2.83 0 
assign ((residue 40 and name HN)) ((residue 76 and name HG#)) 4.50 2.7 0 
assign ((residue 40 and name HN)) ((residue 77 and name HB)) 4.86 3.06 0 
assign ((residue 40 and name HN)) ((residue 78 and name HA)) 4.20 2.4 0 
assign ((residue 8 and name HA)) ((residue 41 and name HN)) 4.22 2.42 0 !+0.17
assign ((residue 8 and name HB#)) ((residue 41 and name HN)) 5.31 3.51 0 !+0.46
assign ((residue 40 and name HA)) ((residue 41 and name HN)) 2.93 1.13 0 
assign ((residue 41 and name HN)) ((residue 42 and name HN)) 4.34 2.54 0 !+0.12
assign ((residue 41 and name HN)) ((residue 46 and name HG#)) 4.32 2.52 0 !+0.77
assign ((residue 41 and name HN)) ((residue 46 and name HG#)) 4.42 2.62 0 
assign ((residue 41 and name HN)) ((residue 76 and name HG#)) 4.26 2.46 0 !+0.05
assign ((residue 42 and name HN)) ((residue 45 and name HB#)) 3.54 1.74 0 
assign ((residue 41 and name HA#)) ((residue 42 and name HN)) 2.89 1.09 0 
assign ((residue 42 and name HN)) ((residue 43 and name HN)) 4.70 2.9 0 
assign ((residue 42 and name HN)) ((residue 45 and name HN)) 4.80 3 0 
assign ((residue 42 and name HN)) ((residue 46 and name HG#)) 4.69 2.89 0 
assign ((residue 42 and name HN)) ((residue 76 and name HA)) 4.93 3.13 0 
assign ((residue 42 and name HN)) ((residue 76 and name HB)) 5.51 3.71 0 !+0.34
assign ((residue 42 and name HA)) ((residue 43 and name HN)) 3.30 1.5 0 
assign ((residue 42 and name HB#)) ((residue 43 and name HN)) 3.99 2.19 0 
assign ((residue 42 and name HB#)) ((residue 43 and name HN)) 3.99 2.19 0 
assign ((residue 43 and name HN)) ((residue 43 and name HB#)) 3.47 1.67 0 
assign ((residue 43 and name HN)) ((residue 43 and name HB#)) 3.47 1.67 0 
assign ((residue 43 and name HN)) ((residue 43 and name HG#)) 3.94 2.14 0 !+0.09
assign ((residue 43 and name HA)) ((residue 43 and name HE21)) 5.00 3.2 0 
assign ((residue 43 and name HA)) ((residue 43 and name HE22)) 5.00 3.2 0 
assign ((residue 43 and name HG#)) ((residue 43 and name HE22)) 3.54 1.74 0 
assign ((residue 44 and name HN)) ((residue 46 and name HN)) 4.35 2.55 0 
assign ((residue 44 and name HN)) ((residue 45 and name HB#)) 4.77 2.97 0 
assign ((residue 42 and name HA)) ((residue 44 and name HN)) 4.63 2.83 0 
assign ((residue 43 and name HN)) ((residue 44 and name HN)) 3.74 1.94 0 
assign ((residue 44 and name HN)) ((residue 44 and name HG#)) 3.46 1.66 0 
assign ((residue 44 and name HN)) ((residue 45 and name HN)) 3.36 1.56 0 
assign ((residue 45 and name HN)) ((residue 46 and name HG#)) 5.96 4.16 0 
assign ((residue 45 and name HN)) ((residue 49 and name HD1#)) 6.01 4.21 0 !+0.01
assign ((residue 43 and name HN)) ((residue 45 and name HN)) 5.13 3.33 0 
assign ((residue 44 and name HG#)) ((residue 45 and name HN)) 4.01 2.21 0 
assign ((residue 45 and name HN)) ((residue 45 and name HB#)) 2.99 1.19 0 
assign ((residue 45 and name HN)) ((residue 46 and name HN)) 3.32 1.52 0 
assign ((residue 45 and name HN)) ((residue 76 and name HG#)) 4.84 3.04 0 
assign ((residue 46 and name HN)) ((residue 49 and name HD1#)) 4.71 2.91 0 !+0.13
assign ((residue 45 and name HB#)) ((residue 46 and name HN)) 3.52 1.72 0 
assign ((residue 46 and name HN)) ((residue 46 and name HB#)) 3.62 1.82 0 
assign ((residue 46 and name HN)) ((residue 46 and name HB#)) 3.62 1.82 0 
assign ((residue 46 and name HN)) ((residue 48 and name HN)) 5.00 3.2 0 
assign ((residue 46 and name HN)) ((residue 76 and name HG#)) 4.12 2.32 0 
assign ((residue 46 and name HB#)) ((residue 47 and name HN)) 3.77 1.97 0 
assign ((residue 45 and name HB#)) ((residue 47 and name HN)) 4.54 2.74 0 !+0.16
assign ((residue 44 and name HA)) ((residue 47 and name HN)) 3.90 2.1 0 
assign ((residue 46 and name HB#)) ((residue 47 and name HN)) 3.77 1.97 0 
assign ((residue 47 and name HN)) ((residue 49 and name HN)) 4.42 2.62 0 
assign ((residue 48 and name HN)) ((residue 48 and name HB#)) 3.54 1.74 0 
assign ((residue 45 and name HA)) ((residue 48 and name HN)) 4.07 2.27 0 
assign ((residue 46 and name HA)) ((residue 48 and name HN)) 4.66 2.86 0 
assign ((residue 47 and name HN)) ((residue 48 and name HN)) 3.32 1.52 0 
assign ((residue 48 and name HN)) ((residue 48 and name HB#)) 3.54 1.74 0 
assign ((residue 48 and name HN)) ((residue 49 and name HN)) 3.11 1.31 0 
assign ((residue 48 and name HN)) ((residue 49 and name HD1#)) 4.99 3.19 0 !+0.75
assign ((residue 46 and name HA)) ((residue 49 and name HN)) 4.54 2.74 0 
assign ((residue 47 and name HB#)) ((residue 49 and name HN)) 4.96 3.16 0 
assign ((residue 49 and name HN)) ((residue 49 and name HB)) 3.22 1.42 0 
assign ((residue 49 and name HN)) ((residue 49 and name HG1#)) 4.01 2.21 0 
assign ((residue 49 and name HN)) ((residue 49 and name HG1#)) 4.01 2.21 0 
assign ((residue 49 and name HN)) ((residue 49 and name HG2#)) 3.8 2 0 !+0.29
assign ((residue 49 and name HN)) ((residue 50 and name HN)) 4.42 2.62 0 !+0.08
assign ((residue 49 and name HA)) ((residue 50 and name HN)) 3.08 1.28 0 
assign ((residue 49 and name HB)) ((residue 50 and name HN)) 4.69 2.89 0 
assign ((residue 49 and name HG1#)) ((residue 50 and name HN)) 5.11 3.31 0 
assign ((residue 49 and name HG1#)) ((residue 50 and name HN)) 5.11 3.31 0 
assign ((residue 49 and name HG2#)) ((residue 50 and name HN)) 3.63 1.83 0 
assign ((residue 50 and name HN)) ((residue 50 and name HB#)) 3.59 1.79 0 
assign ((residue 11 and name HB)) ((residue 51 and name HN)) 4.58 2.78 0 
assign ((residue 49 and name HB)) ((residue 51 and name HN)) 5.10 3.3 0 
assign ((residue 51 and name HN)) ((residue 52 and name HG1#)) 5.06 3.26 0 
assign ((residue 49 and name HG2#)) ((residue 51 and name HN)) 3.09 1.29 0 
assign ((residue 49 and name HA)) ((residue 51 and name HN)) 3.48 1.68 0 
assign ((residue 50 and name HN)) ((residue 51 and name HN)) 2.87 1.07 0 
assign ((residue 50 and name HB#)) ((residue 51 and name HN)) 3.80 2 0 
assign ((residue 11 and name HB)) ((residue 52 and name HN)) 4.81 3.01 0 
assign ((residue 52 and name HN)) ((residue 52 and name HG1#)) 4.67 2.87 0 
assign ((residue 52 and name HN)) ((residue 52 and name HD1#)) 4.33 2.53 0 
assign ((residue 14 and name HN)) ((residue 52 and name HN)) 4.07 2.27 0 
assign ((residue 51 and name HA)) ((residue 52 and name HN)) 3.07 1.27 0 
assign ((residue 51 and name HB#)) ((residue 52 and name HN)) 3.88 2.08 0 
assign ((residue 51 and name HB#)) ((residue 52 and name HN)) 3.88 2.08 0 
assign ((residue 51 and name HN)) ((residue 52 and name HN)) 4.57 2.77 0 
assign ((residue 52 and name HN)) ((residue 52 and name HB)) 3.56 1.76 0 
assign ((residue 52 and name HN)) ((residue 52 and name HG1#)) 4.02 2.22 0 
assign ((residue 52 and name HN)) ((residue 52 and name HG2#)) 3.85 2.05 0 !+0.1
assign ((residue 52 and name HA)) ((residue 53 and name HN)) 2.93 1.13 0 
assign ((residue 52 and name HB)) ((residue 53 and name HN)) 4.68 2.88 0 
assign ((residue 52 and name HG1#)) ((residue 53 and name HN)) 4.76 2.96 0 !+0.23
assign ((residue 52 and name HD1#) or (residue 13 and name HG#)) ((residue 53 and name HN)) 4.24 2.44 0 
assign ((residue 52 and name HG2#)) ((residue 53 and name HN)) 3.46 1.66 0 
assign ((residue 53 and name HN)) ((residue 53 and name HB)) 3.46 1.66 0 
assign ((residue 53 and name HG#)) ((residue 54 and name HN)) 3.46 1.66 0 
assign ((residue 52 and name HG2#)) ((residue 54 and name HN)) 4.42 2.62 0 !+0.12
assign ((residue 54 and name HN)) ((residue 54 and name HG#)) 4.58 2.78 0 
assign ((residue 53 and name HA)) ((residue 54 and name HN)) 3.05 1.25 0 
assign ((residue 54 and name HN)) ((residue 54 and name HB)) 3.77 1.97 0 
assign ((residue 54 and name HN)) ((residue 55 and name HD#)) 4.34 2.54 0 
assign ((residue 17 and name HA)) ((residue 56 and name HN)) 4.00 2.2 0 
assign ((residue 18 and name HG#)) ((residue 56 and name HN)) 4.23 2.43 0 
assign ((residue 55 and name HA)) ((residue 56 and name HN)) 3.05 1.25 0 
assign ((residue 55 and name HB#)) ((residue 56 and name HN)) 3.99 2.19 0 
assign ((residue 55 and name HB#)) ((residue 56 and name HN)) 3.99 2.19 0 
assign ((residue 55 and name HD#)) ((residue 56 and name HN)) 4.99 3.19 0 !+0.09
assign ((residue 56 and name HN)) ((residue 56 and name HB)) 3.62 1.82 0 
assign ((residue 56 and name HN)) ((residue 56 and name HG#)) 3.98 2.18 0 
assign ((residue 56 and name HN)) ((residue 57 and name HN)) 4.62 2.82 0 
assign ((residue 56 and name HA)) ((residue 57 and name HN)) 2.86 1.06 0 
assign ((residue 56 and name HB)) ((residue 57 and name HN)) 4.63 2.83 0 
assign ((residue 56 and name HG#)) ((residue 57 and name HN)) 4.08 2.28 0 
assign ((residue 56 and name HG#)) ((residue 57 and name HN)) 4.08 2.28 0 
assign ((residue 57 and name HN)) ((residue 57 and name HB#)) 3.33 1.53 0 
assign ((residue 57 and name HN)) ((residue 57 and name HB#)) 3.33 1.53 0 
assign ((residue 57 and name HN)) ((residue 58 and name HN)) 4.53 2.73 0 !+0.19
assign ((residue 57 and name HA)) ((residue 58 and name HN)) 3.17 1.37 0 
assign ((residue 58 and name HN)) ((residue 58 and name HG2#)) 3.87 2.07 0 
assign ((residue 20 and name HN)) ((residue 59 and name HN)) 5.11 3.31 0 !+0.02
assign ((residue 57 and name HA)) ((residue 59 and name HN)) 4.15 2.35 0 
assign ((residue 58 and name HB)) ((residue 59 and name HN)) 4.70 2.9 0 
assign ((residue 58 and name HD1#)) ((residue 59 and name HN)) 4.46 2.66 0 
assign ((residue 58 and name HG2#)) ((residue 59 and name HN)) 4.43 2.63 0 
assign ((residue 59 and name HN)) ((residue 60 and name HN)) 3.93 2.13 0 
assign ((residue 60 and name HN)) ((residue 60 and name HG#)) 4.48 2.68 0 
assign ((residue 58 and name HA)) ((residue 61 and name HN)) 3.93 2.13 0 
assign ((residue 60 and name HN)) ((residue 61 and name HN)) 3.39 1.59 0 
assign ((residue 61 and name HN)) ((residue 61 and name HB)) 3.28 1.48 0 
assign ((residue 62 and name HN)) ((residue 89 and name HG#)) 4.64 2.84 0 
assign ((residue 61 and name HA)) ((residue 62 and name HN)) 3.04 1.24 0 
assign ((residue 61 and name HB)) ((residue 62 and name HN)) 4.43 2.63 0 !+0.09
assign ((residue 61 and name HN)) ((residue 62 and name HN)) 4.48 2.68 0 
assign ((residue 62 and name HN)) ((residue 63 and name HN)) 3.28 1.48 0 
assign ((residue 61 and name HA)) ((residue 63 and name HN)) 3.40 1.6 0 
assign ((residue 63 and name HN)) ((residue 63 and name HB#)) 3.91 2.11 0 
assign ((residue 63 and name HN)) ((residue 63 and name HB#)) 3.91 2.11 0 
assign ((residue 63 and name HN)) ((residue 89 and name HG#)) 3.91 2.11 0 
assign ((residue 63 and name HB#)) ((residue 64 and name HN)) 3.91 2.11 0 
assign ((residue 63 and name HN)) ((residue 64 and name HN)) 4.4 2.6 0 !+0.18
assign ((residue 64 and name HA)) ((residue 65 and name HN)) 2.96 1.16 0 
assign ((residue 65 and name HN)) ((residue 65 and name HB)) 4.20 2.4 0 
assign ((residue 65 and name HN)) ((residue 65 and name HG#)) 3.58 1.78 0 
assign ((residue 65 and name HN)) ((residue 86 and name HA)) 4.87 3.07 0 !+0.09
assign ((residue 65 and name HN)) ((residue 87 and name HN)) 3.85 2.05 0 
assign ((residue 65 and name HA)) ((residue 66 and name HN)) 2.94 1.14 0 
assign ((residue 65 and name HB)) ((residue 66 and name HN)) 4.22 2.42 0 
assign ((residue 65 and name HG#)) ((residue 66 and name HN)) 3.69 1.89 0 
assign ((residue 66 and name HN)) ((residue 66 and name HB#)) 4.20 2.4 0 
assign ((residue 66 and name HN)) ((residue 67 and name HN)) 4.49 2.69 0 
assign ((residue 66 and name HA)) ((residue 67 and name HN)) 3.00 1.2 0 
assign ((residue 67 and name HN)) ((residue 67 and name HB#)) 3.91 2.11 0 
assign ((residue 67 and name HN)) ((residue 67 and name HB#)) 3.91 2.11 0 
assign ((residue 67 and name HN)) ((residue 86 and name HA)) 4.38 2.58 0 !+0.5
assign ((residue 67 and name HB#)) ((residue 68 and name HN)) 3.82 2.02 0 
assign ((residue 67 and name HB#)) ((residue 68 and name HN)) 3.82 2.02 0 
assign ((residue 68 and name HN)) ((residue 68 and name HB)) 3.29 1.49 0 
assign ((residue 68 and name HN)) ((residue 68 and name HG#)) 3.78 1.98 0 
assign ((residue 68 and name HB)) ((residue 69 and name HN)) 4.40 2.6 0 
assign ((residue 68 and name HA)) ((residue 69 and name HN)) 3.07 1.27 0 
assign ((residue 68 and name HN)) ((residue 69 and name HN)) 4.60 2.8 0 
assign ((residue 68 and name HG#)) ((residue 69 and name HN)) 3.57 1.77 0 
assign ((residue 69 and name HN)) ((residue 69 and name HB#)) 3.96 2.16 0 
assign ((residue 69 and name HN)) ((residue 69 and name HB#)) 3.96 2.16 0 
assign ((residue 69 and name HN)) ((residue 82 and name HA)) 4.61 2.81 0 
assign ((residue 69 and name HN)) ((residue 83 and name HN)) 3.57 1.77 0 
assign ((residue 69 and name HN)) ((residue 84 and name HA)) 4.48 2.68 0 !+0.4
assign ((residue 70 and name HN)) ((residue 82 and name HG#)) 5.06 3.26 0 
assign ((residue 70 and name HN)) ((residue 82 and name HA)) 5.46 3.66 0 
assign ((residue 69 and name HA)) ((residue 70 and name HN)) 2.86 1.06 0 
assign ((residue 69 and name HB#)) ((residue 70 and name HN)) 3.94 2.14 0 
assign ((residue 69 and name HB#)) ((residue 70 and name HN)) 3.94 2.14 0 
assign ((residue 69 and name HN)) ((residue 70 and name HN)) 4.68 2.88 0 
assign ((residue 70 and name HN)) ((residue 70 and name HG#)) 4.16 2.36 0 
assign ((residue 70 and name HN)) ((residue 70 and name HB#)) 3.12 1.32 0 
assign ((residue 71 and name HN)) ((residue 71 and name HD#)) 4.16 2.36 0 
assign ((residue 70 and name HA)) ((residue 71 and name HN)) 3.01 1.21 0 
assign ((residue 70 and name HB#)) ((residue 71 and name HN)) 3.99 2.19 0 
assign ((residue 71 and name HN)) ((residue 71 and name HG)) 3.62 1.82 0 
assign ((residue 71 and name HN)) ((residue 81 and name HA)) 4.05 2.25 0 
assign ((residue 71 and name HN)) ((residue 82 and name HA)) 4.18 2.38 0 !+0.26
assign ((residue 71 and name HN)) ((residue 82 and name HN)) 5.40 3.6 0 
assign ((residue 71 and name HB#)) ((residue 72 and name HN)) 3.88 2.08 0 
assign ((residue 72 and name HN)) ((residue 72 and name HB#)) 4.03 2.23 0 
assign ((residue 71 and name HD#)) ((residue 72 and name HN)) 3.79 1.99 0 
assign ((residue 71 and name HA)) ((residue 72 and name HN)) 2.81 1.01 0 
assign ((residue 71 and name HB#)) ((residue 72 and name HN)) 3.88 2.08 0 
assign ((residue 71 and name HN)) ((residue 72 and name HN)) 4.55 2.75 0 !+0.06
assign ((residue 73 and name HN)) ((residue 74 and name HA)) 5.05 3.25 0 
assign ((residue 72 and name HA)) ((residue 73 and name HN)) 2.73 0.93 0 
assign ((residue 72 and name HN)) ((residue 73 and name HN)) 4.39 2.59 0 !+0.43
assign ((residue 72 and name HB#)) ((residue 73 and name HN)) 3.39 1.59 0 
assign ((residue 73 and name HN)) ((residue 73 and name HB#)) 3.45 1.65 0 
assign ((residue 73 and name HN)) ((residue 76 and name HN)) 5.37 3.57 0 !+0.65
assign ((residue 73 and name HN)) ((residue 76 and name HG#)) 4.14 2.34 0 !+0.24
assign ((residue 49 and name HD1#)) ((residue 74 and name HN)) 4.59 2.79 0 !+0.07
assign ((residue 73 and name HA)) ((residue 74 and name HN)) 2.68 0.88 0 
assign ((residue 73 and name HB#)) ((residue 74 and name HN)) 3.20 1.4 0 
assign ((residue 74 and name HN)) ((residue 74 and name HB#)) 2.71 0.91 0 
assign ((residue 74 and name HN)) ((residue 74 and name HG#)) 3.43 1.63 0 
assign ((residue 74 and name HN)) ((residue 75 and name HN)) 4.62 2.82 0 !+0.3
assign ((residue 74 and name HN)) ((residue 76 and name HG#)) 4.39 2.59 0 
assign ((residue 74 and name HB#)) ((residue 75 and name HN)) 3.89 2.09 0 
assign ((residue 45 and name HB#)) ((residue 76 and name HN)) 4.88 3.08 0 
assign ((residue 49 and name HD1#)) ((residue 76 and name HN)) 4.28 2.48 0 !+0.04
assign ((residue 73 and name HB#)) ((residue 76 and name HN)) 4.25 2.45 0 
assign ((residue 74 and name HN)) ((residue 76 and name HN)) 4.95 3.15 0 
assign ((residue 75 and name HN)) ((residue 76 and name HN)) 3.58 1.78 0 
assign ((residue 76 and name HN)) ((residue 76 and name HG#)) 3.12 1.32 0 
assign ((residue 76 and name HN)) ((residue 76 and name HG#)) 3.57 1.77 0 
assign ((residue 76 and name HN)) ((residue 77 and name HN)) 4.44 2.64 0 !+0.37
assign ((residue 39 and name HG2#)) ((residue 77 and name HN)) 5.05 3.25 0 
assign ((residue 39 and name HA)) ((residue 77 and name HN)) 4.57 2.77 0 
assign ((residue 39 and name HB)) ((residue 77 and name HN)) 4.49 2.69 0 
assign ((residue 40 and name HA)) ((residue 77 and name HN)) 5.15 3.35 0 
assign ((residue 40 and name HN)) ((residue 77 and name HN)) 3.72 1.92 0 
assign ((residue 41 and name HA#)) ((residue 77 and name HN)) 4.23 2.43 0 
assign ((residue 76 and name HA)) ((residue 77 and name HN)) 3.26 1.46 0 
assign ((residue 76 and name HB)) ((residue 77 and name HN)) 3.37 1.57 0 
assign ((residue 76 and name HG#)) ((residue 77 and name HN)) 3.72 1.92 0 
assign ((residue 78 and name HN)) ((residue 78 and name HG#)) 3.93 2.13 0 
assign ((residue 77 and name HA)) ((residue 78 and name HN)) 2.88 1.08 0 
!assign ((residue 77 and name HB)) ((residue 78 and name HN)) 3.57 1.77 0
assign ((residue 77 and name HN)) ((residue 78 and name HN)) 4.34 2.54 0 
assign ((residue 78 and name HN)) ((residue 78 and name HB)) 3.19 1.39 0 
assign ((residue 78 and name HN)) ((residue 79 and name HN)) 5.11 3.31 0 
assign ((residue 38 and name HG#)) ((residue 79 and name HN)) 4.72 2.92 0 
assign ((residue 38 and name HB)) ((residue 79 and name HN)) 4.37 2.57 0 
assign ((residue 38 and name HN)) ((residue 79 and name HN)) 4.05 2.25 0 
assign ((residue 39 and name HA)) ((residue 79 and name HN)) 4.26 2.46 0 
assign ((residue 40 and name HN)) ((residue 79 and name HN)) 5.23 3.43 0 !+0.47
assign ((residue 78 and name HA)) ((residue 79 and name HN)) 3.06 1.26 0 
assign ((residue 78 and name HG#)) ((residue 79 and name HN)) 3.75 1.95 0 
assign ((residue 78 and name HG#)) ((residue 79 and name HN)) 3.75 1.95 0 
assign ((residue 81 and name HN)) ((residue 82 and name HG#)) 5.58 3.78 0 
assign ((residue 79 and name HN)) ((residue 81 and name HN)) 5.53 3.73 0 
assign ((residue 37 and name HA)) ((residue 81 and name HN)) 4.95 3.15 0 !+1.35
assign ((residue 80 and name HA)) ((residue 81 and name HN)) 3.38 1.58 0 !+0.12
assign ((residue 80 and name HB#)) ((residue 81 and name HN)) 3.63 1.83 0 !+0.18
assign ((residue 80 and name HG#)) ((residue 81 and name HN)) 4.00 2.2 0 
assign ((residue 81 and name HN)) ((residue 82 and name HA)) 5.4 3.6 0 !+0.27
assign ((residue 81 and name HN)) ((residue 82 and name HN)) 3.00 1.2 0 
assign ((residue 80 and name HA)) ((residue 82 and name HN)) 4.46 2.66 0 
assign ((residue 82 and name HN)) ((residue 83 and name HA)) 5.28 3.48 0 !+0.04
assign ((residue 80 and name HB#)) ((residue 82 and name HN)) 3.45 1.65 0 
assign ((residue 80 and name HG#)) ((residue 82 and name HN)) 4.24 2.44 0 
assign ((residue 71 and name HD#)) ((residue 82 and name HN)) 5.48 3.68 0 
assign ((residue 82 and name HN)) ((residue 83 and name HG#)) 5.09 3.29 0 
assign ((residue 82 and name HN)) ((residue 82 and name HB)) 4.16 2.36 0 
assign ((residue 82 and name HA)) ((residue 83 and name HN)) 3.05 1.25 0 
assign ((residue 82 and name HN)) ((residue 83 and name HN)) 4.60 2.8 0 
assign ((residue 82 and name HG#)) ((residue 83 and name HN)) 3.54 1.74 0 
assign ((residue 83 and name HN)) ((residue 83 and name HG#)) 3.48 1.68 0 
assign ((residue 33 and name HB#)) ((residue 84 and name HN)) 4.94 3.14 0 
assign ((residue 34 and name HN)) ((residue 84 and name HN)) 5.32 3.52 0 
assign ((residue 83 and name HA)) ((residue 84 and name HN)) 3.08 1.28 0 
assign ((residue 83 and name HB)) ((residue 84 and name HN)) 3.48 1.68 0 
assign ((residue 83 and name HN)) ((residue 84 and name HN)) 4.48 2.68 0 
assign ((residue 84 and name HN)) ((residue 84 and name HB#)) 3.18 1.38 0 
assign ((residue 84 and name HN)) ((residue 85 and name HN)) 4.47 2.67 0 !+0.13
assign ((residue 84 and name HB#)) ((residue 85 and name HN)) 3.68 1.88 0 
assign ((residue 66 and name HA)) ((residue 85 and name HN)) 4.80 3 0 
assign ((residue 67 and name HN)) ((residue 85 and name HN)) 3.51 1.71 0 !+0.08
assign ((residue 84 and name HA)) ((residue 85 and name HN)) 3.01 1.21 0 
assign ((residue 84 and name HG#)) ((residue 85 and name HN)) 4.13 2.33 0 
assign ((residue 86 and name HN)) ((residue 87 and name HG)) 5.57 3.77 0 
assign ((residue 30 and name HA)) ((residue 86 and name HN)) 5.35 3.55 0 
assign ((residue 32 and name HA)) ((residue 86 and name HN)) 4.1 2.3 0 !+0.02
assign ((residue 85 and name HA)) ((residue 86 and name HN)) 3.09 1.29 0 
assign ((residue 85 and name HB)) ((residue 86 and name HN)) 4.38 2.58 0 
assign ((residue 85 and name HN)) ((residue 86 and name HN)) 4.31 2.51 0 !+0.05
assign ((residue 85 and name HG#)) ((residue 86 and name HN)) 4.21 2.41 0 
assign ((residue 86 and name HN)) ((residue 86 and name HB#)) 3.42 1.62 0 
assign ((residue 86 and name HB#)) ((residue 86 and name HD21)) 3.89 2.09 0 
assign ((residue 86 and name HB#)) ((residue 86 and name HD22)) 3.89 2.09 0 
assign ((residue 64 and name HA)) ((residue 87 and name HN)) 5.05 3.25 0 !+0.34
assign ((residue 66 and name HA)) ((residue 87 and name HN)) 3.86 2.06 0 
assign ((residue 86 and name HA)) ((residue 87 and name HN)) 2.99 1.19 0 
assign ((residue 86 and name HB#)) ((residue 87 and name HN)) 3.90 2.1 0 
assign ((residue 87 and name HN)) ((residue 87 and name HB#)) 3.82 2.02 0 
assign ((residue 87 and name HN)) ((residue 87 and name HB#)) 3.82 2.02 0 
assign ((residue 87 and name HN)) ((residue 87 and name HG)) 3.81 2.01 0 
assign ((residue 87 and name HN)) ((residue 87 and name HD#)) 3.84 2.04 0 
assign ((residue 87 and name HN)) ((residue 88 and name HN)) 4.2 2.4 0 !+0.33
assign ((residue 31 and name HN)) ((residue 88 and name HN)) 5.35 3.55 0 
assign ((residue 29 and name HB#)) ((residue 88 and name HN)) 5.54 3.74 0 
assign ((residue 28 and name HG2#)) ((residue 88 and name HN)) 4.28 2.48 0 
assign ((residue 30 and name HA)) ((residue 88 and name HN)) 4.03 2.23 0 
assign ((residue 30 and name HN)) ((residue 88 and name HN)) 5.29 3.49 0 
assign ((residue 87 and name HA)) ((residue 88 and name HN)) 3.13 1.33 0 
assign ((residue 87 and name HB#)) ((residue 88 and name HN)) 4.77 2.97 0 
assign ((residue 87 and name HD#)) ((residue 88 and name HN)) 3.97 2.17 0 !+0.16
assign ((residue 88 and name HN)) ((residue 88 and name HB#)) 3.79 1.99 0 
assign ((residue 88 and name HN)) ((residue 88 and name HB#)) 3.79 1.99 0 
assign ((residue 63 and name HN)) ((residue 89 and name HN)) 6.12 4.32 0 !+0.12
assign ((residue 88 and name HA)) ((residue 89 and name HN)) 3.07 1.27 0 
assign ((residue 88 and name HB#)) ((residue 89 and name HN)) 4.63 2.83 0 
assign ((residue 88 and name HG#)) ((residue 89 and name HN)) 4.33 2.53 0 
assign ((residue 64 and name HN)) ((residue 89 and name HN)) 4.48 2.68 0 
assign ((residue 88 and name HN)) ((residue 89 and name HN)) 4.54 2.74 0 !+0.15
assign ((residue 89 and name HN)) ((residue 89 and name HB)) 3.50 1.7 0 
assign ((residue 89 and name HN)) ((residue 90 and name HN)) 4.82 3.02 0 
assign ((residue 28 and name HA)) ((residue 90 and name HN)) 4.04 2.24 0 
assign ((residue 28 and name HN)) ((residue 90 and name HN)) 5.32 3.52 0 !+0.75
assign ((residue 29 and name HN)) ((residue 90 and name HN)) 4.9 3.1 0 !+0.81
assign ((residue 89 and name HA)) ((residue 90 and name HN)) 3.03 1.23 0 
assign ((residue 89 and name HB)) ((residue 90 and name HN)) 4.20 2.4 0 
assign ((residue 90 and name HA)) ((residue 91 and name HN)) 3.03 1.23 0 
assign ((residue 90 and name HN)) ((residue 91 and name HN)) 4.67 2.87 0 
assign ((residue 91 and name HN)) ((residue 91 and name HG#)) 4.09 2.29 0 
assign ((residue 91 and name HN)) ((residue 91 and name HG#)) 4.09 2.29 0 
assign ((residue 91 and name HN)) ((residue 92 and name HN)) 4.79 2.99 0 
assign ((residue 63 and name HA)) ((residue 91 and name HE22)) 3.95 2.15 0 
assign ((residue 63 and name HA)) ((residue 91 and name HE21)) 4.37 2.57 0 
assign ((residue 64 and name HN)) ((residue 91 and name HE21)) 6.00 4.2 0 
assign ((residue 91 and name HE21)) ((residue 92 and name HN)) 6.00 4.2 0 
assign ((residue 24 and name HD21)) ((residue 91 and name HE22)) 4.90 3.1 0 
assign ((residue 24 and name HD22)) ((residue 91 and name HE22)) 4.90 3.1 0 
assign ((residue 26 and name HN)) ((residue 92 and name HN)) 3.83 2.03 0 
assign ((residue 91 and name HA)) ((residue 92 and name HN)) 3.08 1.28 0 
assign ((residue 91 and name HB#)) ((residue 92 and name HN)) 4.14 2.34 0 
assign ((residue 94 and name HN)) ((residue 94 and name HB#)) 3.26 1.46 0 
assign ((residue 93 and name HA)) ((residue 94 and name HN)) 2.87 1.07 0 
assign ((residue 93 and name HD#)) ((residue 94 and name HN)) 4.85 3.05 0 
assign ((residue 94 and name HN)) ((residue 94 and name HG#)) 3.65 1.85 0 
assign ((residue 3 and name HB#)) ((residue 4 and name HB#)) 4.82 3.02 0 
assign ((residue 48 and name HN)) ((residue 48 and name HE#)) 4.90 3.1 0 
assign ((residue 7 and name HB#)) ((residue 43 and name HA)) 5.48 3.68 0 
assign ((residue 7 and name HB#)) ((residue 43 and name HA)) 5.48 3.68 0 
assign ((residue 26 and name HA)) ((residue 90 and name HG#)) 5.21 3.41 0 
assign ((residue 28 and name HN)) ((residue 28 and name HD1#)) 4.39 2.59 0 
assign ((residue 28 and name HD1#)) ((residue 58 and name HB)) 3.45 1.65 0 
assign ((residue 28 and name HA)) ((residue 28 and name HG2#)) 3.11 1.31 0 
assign ((residue 30 and name HA)) ((residue 87 and name HA)) 4.02 2.22 0 
assign ((residue 32 and name HA)) ((residue 85 and name HB)) 5.86 4.06 0 
assign ((residue 10 and name HA)) ((residue 39 and name HD1#)) 4.39 2.59 0 !+0.13
assign ((residue 34 and name HB#)) ((residue 34 and name HD#)) 4.13 2.33 0 
assign ((residue 46 and name HN)) ((residue 46 and name HG#)) 4.16 2.36 0 
assign ((residue 34 and name HB#)) ((residue 34 and name HD#)) 4.13 2.33 0 
assign ((residue 34 and name HD#)) ((residue 83 and name HG#)) 4.38 2.58 0 
assign ((residue 39 and name HA)) ((residue 40 and name HB)) 4.91 3.11 0 
assign ((residue 39 and name HB)) ((residue 76 and name HB)) 4.18 2.38 0 
assign ((residue 46 and name HA)) ((residue 49 and name HD1#)) 3.41 1.61 0 
assign ((residue 44 and name HN)) ((residue 44 and name HB#)) 4.11 2.31 0 
assign ((residue 45 and name HB#)) ((residue 75 and name HA#)) 4.22 2.42 0 
assign ((residue 12 and name HB#)) ((residue 51 and name HB#)) 4.56 2.76 0 
assign ((residue 15 and name HN)) ((residue 15 and name HG)) 4.98 3.18 0 
assign ((residue 15 and name HG)) ((residue 16 and name HN)) 5.51 3.71 0 
assign ((residue 53 and name HA)) ((residue 54 and name HG#)) 3.89 2.09 0 
assign ((residue 55 and name HA)) ((residue 56 and name HB)) 4.72 2.92 0 
assign ((residue 57 and name HA)) ((residue 58 and name HD1#)) 5.19 3.39 0 !+0.11
assign ((residue 16 and name HN)) ((residue 53 and name HG#)) 3.96 2.16 0 !+0.39
assign ((residue 61 and name HN)) ((residue 62 and name HG#)) 4.54 2.74 0 
assign ((residue 70 and name HA)) ((residue 82 and name HA)) 3.76 1.96 0 
assign ((residue 44 and name HA)) ((residue 47 and name HB#)) 4.49 2.69 0 
assign ((residue 66 and name HB#)) ((residue 86 and name HA)) 4.46 2.66 0 
assign ((residue 70 and name HN)) ((residue 70 and name HG#)) 4.16 2.36 0 
assign ((residue 63 and name HN)) ((residue 89 and name HG#)) 3.91 2.11 0 
assign ((residue 8 and name HA)) ((residue 76 and name HG#)) 6.14 4.34 0 !+0.37
assign ((residue 10 and name HA)) ((residue 37 and name HG#)) 6.00 4.2 0 
assign ((residue 40 and name HN)) ((residue 77 and name HG#)) 5.02 3.22 0 
assign ((residue 77 and name HG#)) ((residue 79 and name HN)) 6.00 4.2 0 
assign ((residue 62 and name HN)) ((residue 89 and name HG#)) 4.64 2.84 0 
assign ((residue 37 and name HA)) ((residue 80 and name HG#)) 5.92 4.12 0 
assign ((residue 80 and name HG#)) ((residue 83 and name HG#)) 5.15 3.35 0 
assign ((residue 84 and name HA)) ((residue 85 and name HG#)) 5.27 3.47 0 
assign ((residue 84 and name HG#)) ((residue 84 and name HE#)) 3.15 1.35 0 
assign ((residue 84 and name HN)) ((residue 84 and name HG#)) 3.95 2.15 0 
assign ((residue 84 and name HN)) ((residue 84 and name HG#)) 4.18 2.38 0 
assign ((residue 67 and name HN)) ((residue 85 and name HG#)) 3.94 2.14 0 !+0.25
assign ((residue 87 and name HB#)) ((residue 88 and name HN)) 4.77 2.97 0 
assign ((residue 87 and name HB#)) ((residue 87 and name HD#)) 3.43 1.63 0 
assign ((residue 88 and name HB#)) ((residue 89 and name HN)) 4.63 2.83 0 
assign ((residue 28 and name HN)) ((residue 28 and name HB)) 3.58 1.78 0 
assign ((residue 31 and name HB#)) ((residue 86 and name HB#)) 4.89 3.09 0 
assign ((residue 6 and name HA)) ((residue 6 and name HG#)) 3.90 2.1 0 
assign ((residue 22 and name HN)) ((residue 22 and name HB#)) 3.23 1.43 0 
assign ((residue 38 and name HA)) ((residue 38 and name HG#)) 3.66 1.86 0 
assign ((residue 38 and name HB)) ((residue 39 and name HN)) 4.54 2.74 0 
assign ((residue 39 and name HA)) ((residue 39 and name HG2#)) 3.50 1.7 0 
assign ((residue 49 and name HA)) ((residue 49 and name HG2#)) 3.33 1.53 0 
assign ((residue 52 and name HA)) ((residue 52 and name HD1#)) 3.50 1.7 0 
assign ((residue 52 and name HA)) ((residue 52 and name HG1#)) 4.18 2.38 0 
assign ((residue 55 and name HA)) ((residue 56 and name HG#)) 5.52 3.72 0 
assign ((residue 55 and name HA)) ((residue 56 and name HG#)) 5.52 3.72 0 
assign ((residue 56 and name HA)) ((residue 56 and name HG#)) 3.40 1.6 0 
assign ((residue 56 and name HA)) ((residue 56 and name HG#)) 3.40 1.6 0 
assign ((residue 56 and name HN)) ((residue 56 and name HG#)) 3.98 2.18 0 
assign ((residue 62 and name HG#)) ((residue 63 and name HN)) 4.54 2.74 0 
assign ((residue 74 and name HA)) ((residue 74 and name HG#)) 3.42 1.62 0 
assign ((residue 77 and name HA)) ((residue 77 and name HG#)) 2.99 1.19 0 
assign ((residue 77 and name HN)) ((residue 77 and name HB)) 3.67 1.87 0 
assign ((residue 77 and name HN)) ((residue 77 and name HG#)) 3.77 1.97 0 
assign ((residue 82 and name HA)) ((residue 82 and name HG#)) 3.09 1.29 0 
assign ((residue 82 and name HN)) ((residue 82 and name HG#)) 3.72 1.92 0 
assign ((residue 83 and name HA)) ((residue 83 and name HG#)) 3.52 1.72 0 
assign ((residue 68 and name HG#)) ((residue 83 and name HN)) 3.21 1.41 0 
assign ((residue 83 and name HG#)) ((residue 84 and name HN)) 3.73 1.93 0 
assign ((residue 84 and name HN)) ((residue 84 and name HE#)) 6.00 4.2 0 
assign ((residue 88 and name HN)) ((residue 88 and name HE#)) 6.00 4.2 0 
assign ((residue 85 and name HA)) ((residue 85 and name HG#)) 3.51 1.71 0 
assign ((residue 87 and name HA)) ((residue 87 and name HD#)) 3.16 1.36 0 
assign ((residue 2 and name HA)) ((residue 2 and name HD1#)) 4.26 2.46 0 
assign ((residue 2 and name HA)) ((residue 2 and name HG2#)) 4.07 2.27 0 
assign ((residue 7 and name HN)) ((residue 7 and name HB#)) 3.87 2.07 0 
assign ((residue 7 and name HB#)) ((residue 8 and name HN)) 4.46 2.66 0 
assign ((residue 7 and name HB#)) ((residue 8 and name HN)) 4.46 2.66 0 
assign ((residue 8 and name HA)) ((residue 9 and name HB#)) 4.18 2.38 0 
assign ((residue 8 and name HA)) ((residue 38 and name HG#)) 4.43 2.63 0 
assign ((residue 8 and name HA)) ((residue 40 and name HA)) 3.41 1.61 0 
assign ((residue 8 and name HB#)) ((residue 38 and name HG#)) 3.41 1.61 0 
assign ((residue 11 and name HA)) ((residue 11 and name HB#)) 3.54 1.74 0 
assign ((residue 12 and name HD#)) ((residue 51 and name HA)) 4.15 2.35 0 
assign ((residue 12 and name HD#)) ((residue 51 and name HA)) 4.15 2.35 0 
assign ((residue 11 and name HA)) ((residue 12 and name HD#)) 3.46 1.66 0 
assign ((residue 11 and name HA)) ((residue 12 and name HD#)) 3.46 1.66 0 
assign ((residue 13 and name HA)) ((residue 52 and name HN)) 4.37 2.57 0 
assign ((residue 13 and name HG#)) ((residue 15 and name HN)) 5.70 3.9 0 
assign ((residue 15 and name HB#)) ((residue 54 and name HN)) 5.14 3.34 0 
assign ((residue 15 and name HD#)) ((residue 16 and name HN)) 5.40 3.6 0 
assign ((residue 15 and name HA)) ((residue 15 and name HD#)) 3.86 2.06 0 
assign ((residue 15 and name HD#)) ((residue 54 and name HN)) 4.92 3.12 0 
assign ((residue 15 and name HN)) ((residue 15 and name HD#)) 4.77 2.97 0 
assign ((residue 15 and name HD#)) ((residue 16 and name HN)) 5.40 3.6 0 
assign ((residue 15 and name HA)) ((residue 15 and name HD#)) 3.86 2.06 0 
assign ((residue 15 and name HD#)) ((residue 54 and name HN)) 4.92 3.12 0 
assign ((residue 17 and name HA)) ((residue 17 and name HD#)) 4.21 2.41 0 
assign ((residue 17 and name HD#)) ((residue 18 and name HN)) 3.80 2 0 
assign ((residue 17 and name HA)) ((residue 17 and name HD#)) 4.21 2.41 0 
assign ((residue 18 and name HA)) ((residue 18 and name HG#)) 3.31 1.51 0 
assign ((residue 21 and name HA)) ((residue 21 and name HG#)) 3.90 2.1 0 
assign ((residue 22 and name HA)) ((residue 23 and name HB#)) 4.4 2.6 0 !+0.03
assign ((residue 22 and name HB#)) ((residue 25 and name HB)) 3.84 2.04 0 
assign ((residue 23 and name HA)) ((residue 25 and name HN)) 4.88 3.08 0 
assign ((residue 25 and name HA)) ((residue 91 and name HE21)) 4.93 3.13 0 
assign ((residue 26 and name HN)) ((residue 26 and name HB#)) 3.43 1.63 0 
assign ((residue 26 and name HB#)) ((residue 90 and name HB)) 3.19 1.39 0 !+0.04
assign ((residue 26 and name HB#)) ((residue 90 and name HG#)) 3.31 1.51 0 
assign ((residue 26 and name HB#)) ((residue 92 and name HN)) 4.05 2.25 0 
assign ((residue 26 and name HN)) ((residue 28 and name HD1#)) 6.36 4.56 0 !+0.4
assign ((residue 28 and name HD1#)) ((residue 29 and name HN)) 6.00 4.2 0 
assign ((residue 28 and name HD1#)) ((residue 58 and name HN)) 6.00 4.2 0 
assign ((residue 28 and name HD1#)) ((residue 58 and name HA)) 4.11 2.31 0 
assign ((residue 28 and name HA)) ((residue 28 and name HD1#)) 3.87 2.07 0 !+0.16
assign ((residue 14 and name HN)) ((residue 52 and name HG2#)) 4.36 2.56 0 !+0.64
assign ((residue 33 and name HA)) ((residue 33 and name HB#)) 2.96 1.16 0 
assign ((residue 33 and name HB#)) ((residue 34 and name HG#)) 4.21 2.41 0 
assign ((residue 33 and name HB#)) ((residue 34 and name HN)) 4.82 3.02 0 
assign ((residue 34 and name HN)) ((residue 34 and name HB#)) 4.09 2.29 0 
assign ((residue 34 and name HN)) ((residue 34 and name HB#)) 4.09 2.29 0 
assign ((residue 12 and name HA)) ((residue 36 and name HA)) 4.04 2.24 0 
assign ((residue 37 and name HB)) ((residue 79 and name HN)) 5.43 3.63 0 
assign ((residue 10 and name HA)) ((residue 37 and name HG#)) 6.00 4.2 0 
assign ((residue 37 and name HN)) ((residue 37 and name HG#)) 4.30 2.5 0 
assign ((residue 10 and name HA)) ((residue 38 and name HA)) 3.50 1.7 0 
assign ((residue 38 and name HN)) ((residue 38 and name HB)) 3.35 1.55 0 
assign ((residue 38 and name HG#)) ((residue 39 and name HN)) 3.37 1.57 0 
assign ((residue 78 and name HA)) ((residue 39 and name HA)) 3.94 2.14 0 
assign ((residue 39 and name HA)) ((residue 39 and name HD1#)) 4.35 2.55 0 
assign ((residue 39 and name HD1#)) ((residue 46 and name HG#)) 4.18 2.38 0 
assign ((residue 41 and name HA#)) ((residue 76 and name HG#)) 3.82 2.02 0 
assign ((residue 43 and name HA)) ((residue 46 and name HN)) 4.40 2.6 0 
assign ((residue 43 and name HA)) ((residue 46 and name HG#)) 4.11 2.31 0 
assign ((residue 43 and name HA)) ((residue 43 and name HG#)) 3.78 1.98 0 
assign ((residue 44 and name HA)) ((residue 44 and name HG#)) 3.46 1.66 0 
assign ((residue 44 and name HA)) ((residue 47 and name HB#)) 3.56 1.76 0 
assign ((residue 44 and name HN)) ((residue 44 and name HB#)) 4.11 2.31 0 
assign ((residue 45 and name HB#)) ((residue 76 and name HG#)) 3.19 1.39 0 
assign ((residue 45 and name HB#)) ((residue 76 and name HA)) 5.38 3.58 0 
assign ((residue 41 and name HA#)) ((residue 46 and name HG#)) 5.10 3.3 0 
assign ((residue 46 and name HA)) ((residue 46 and name HG#)) 4.07 2.27 0 
assign ((residue 46 and name HA)) ((residue 46 and name HG#)) 4.12 2.32 0 
assign ((residue 46 and name HG#)) ((residue 49 and name HD1#)) 4.04 2.24 0 
assign ((residue 47 and name HB#)) ((residue 48 and name HN)) 4.48 2.68 0 
assign ((residue 47 and name HB#)) ((residue 48 and name HN)) 4.60 2.8 0 
assign ((residue 46 and name HA)) ((residue 49 and name HB)) 4.53 2.73 0 
assign ((residue 49 and name HA)) ((residue 49 and name HD1#)) 3.9 2.1 0 !+0.24
assign ((residue 49 and name HN)) ((residue 49 and name HD1#)) 4.23 2.43 0 
assign ((residue 46 and name HA)) ((residue 49 and name HG2#)) 4.64 2.84 0 
assign ((residue 49 and name HA)) ((residue 50 and name HB#)) 4.50 2.7 0 
assign ((residue 49 and name HG2#)) ((residue 50 and name HB#)) 4.85 3.05 0 
assign ((residue 12 and name HB#)) ((residue 51 and name HA)) 4.88 3.08 0 !+1.36
assign ((residue 14 and name HE#)) ((residue 51 and name HB#)) 4.87 3.07 0 
assign ((residue 12 and name HB#)) ((residue 51 and name HB#)) 4.56 2.76 0 
assign ((residue 14 and name HE#)) ((residue 51 and name HB#)) 4.87 3.07 0 
assign ((residue 52 and name HA)) ((residue 53 and name HA)) 4.72 2.92 0 
assign ((residue 52 and name HA)) ((residue 53 and name HB)) 4.98 3.18 0 
assign ((residue 52 and name HA)) ((residue 52 and name HG1#)) 4.16 2.36 0 
assign ((residue 52 and name HA)) ((residue 52 and name HG2#)) 3.50 1.7 0 
assign ((residue 13 and name HA)) ((residue 52 and name HB)) 3.98 2.18 0 
assign ((residue 52 and name HD1#)) ((residue 72 and name HN)) 5.1 3.3 0 !+0.22
assign ((residue 52 and name HG2#)) ((residue 72 and name HN)) 4.21 2.41 0 !+0.02
assign ((residue 14 and name HB#)) ((residue 53 and name HA)) 4.20 2.4 0 
assign ((residue 54 and name HA)) ((residue 54 and name HG#)) 3.56 1.76 0 
assign ((residue 54 and name HA)) ((residue 55 and name HD#)) 2.99 1.19 0 
assign ((residue 54 and name HG#)) ((residue 55 and name HD#)) 3.94 2.14 0 
assign ((residue 58 and name HA)) ((residue 58 and name HG2#)) 3.28 1.48 0 
assign ((residue 21 and name HA)) ((residue 58 and name HD1#)) 3.10 1.3 0 
assign ((residue 22 and name HN)) ((residue 58 and name HD1#)) 4.16 2.36 0 !+0.05
assign ((residue 58 and name HB)) ((residue 58 and name HD1#)) 3.40 1.6 0 
assign ((residue 58 and name HN)) ((residue 58 and name HD1#)) 3.66 1.86 0 !+0.02
assign ((residue 58 and name HA)) ((residue 61 and name HB)) 4.75 2.95 0 
assign ((residue 60 and name HN)) ((residue 61 and name HB)) 5.40 3.6 0 
assign ((residue 62 and name HA)) ((residue 62 and name HG#)) 2.68 0.88 0 
assign ((residue 62 and name HN)) ((residue 62 and name HG#)) 3.38 1.58 0 
assign ((residue 63 and name HB#)) ((residue 64 and name HN)) 3.91 2.11 0 
assign ((residue 63 and name HN)) ((residue 65 and name HG#)) 4.90 3.1 0 
assign ((residue 65 and name HA)) ((residue 65 and name HG#)) 3.32 1.52 0 
assign ((residue 65 and name HG#)) ((residue 66 and name HA)) 4.34 2.54 0 
assign ((residue 65 and name HG#)) ((residue 87 and name HA)) 5.4 3.6 0 !+0.94
assign ((residue 65 and name HG#)) ((residue 87 and name HN)) 4.28 2.48 0 
assign ((residue 65 and name HG#)) ((residue 88 and name HN) or (residue 67 and name HN)) 4.50 2.7 0 
assign ((residue 66 and name HA)) ((residue 85 and name HG#)) 4.78 2.98 0 
assign ((residue 66 and name HA)) ((residue 86 and name HA)) 3.59 1.79 0 
assign ((residue 66 and name HA)) ((residue 86 and name HB#)) 5.12 3.32 0 
assign ((residue 66 and name HB#)) ((residue 84 and name HB#)) 5.34 3.54 0 
assign ((residue 66 and name HB#)) ((residue 84 and name HB#)) 5.34 3.54 0 
assign ((residue 29 and name HB#)) ((residue 88 and name HG#)) 4.67 2.87 0 
assign ((residue 66 and name HN)) ((residue 66 and name HB#)) 4.20 2.4 0 
assign ((residue 66 and name HB#)) ((residue 86 and name HA)) 4.46 2.66 0 
assign ((residue 71 and name HN)) ((residue 71 and name HD#)) 3.92 2.12 0 
assign ((residue 71 and name HD#)) ((residue 82 and name HA)) 5.96 4.16 0 
assign ((residue 73 and name HA)) ((residue 74 and name HB#)) 4.39 2.59 0 
assign ((residue 49 and name HG2#)) ((residue 73 and name HA)) 5.65 3.85 0 
assign ((residue 49 and name HD1#)) ((residue 73 and name HA)) 5.86 4.06 0 
assign ((residue 73 and name HB#)) ((residue 76 and name HG#)) 2.65 0.85 0 
assign ((residue 49 and name HD1#)) ((residue 73 and name HB#)) 2.71 0.91 0 
assign ((residue 72 and name HN)) ((residue 73 and name HB#)) 4.86 3.06 0 
assign ((residue 74 and name HA)) ((residue 75 and name HN)) 2.99 1.19 0 
assign ((residue 74 and name HA)) ((residue 76 and name HN)) 4.58 2.78 0 
assign ((residue 49 and name HD1#)) ((residue 74 and name HB#)) 5.26 3.46 0 !+0.02
assign ((residue 73 and name HB#)) ((residue 74 and name HB#)) 4.75 2.95 0 
assign ((residue 74 and name HG#)) ((residue 75 and name HA#)) 5.40 3.6 0 
assign ((residue 73 and name HA)) ((residue 74 and name HG#)) 5.10 3.3 0 
assign ((residue 74 and name HB#)) ((residue 74 and name HG#)) 2.51 0.71 0 
assign ((residue 74 and name HG#)) ((residue 75 and name HN)) 4.1 2.3 0 !+0.13
assign ((residue 74 and name HG#)) ((residue 75 and name HA#)) 5.40 3.6 0 
assign ((residue 45 and name HB#)) ((residue 75 and name HA#)) 4.22 2.42 0 
assign ((residue 41 and name HA#)) ((residue 76 and name HA)) 4.08 2.28 0 
assign ((residue 39 and name HA)) ((residue 76 and name HB)) 4.98 3.18 0 
assign ((residue 40 and name HN)) ((residue 76 and name HB)) 4.28 2.48 0 
assign ((residue 39 and name HB)) ((residue 76 and name HG#)) 3.76 1.96 0 
assign ((residue 39 and name HA)) ((residue 76 and name HG#)) 4.93 3.13 0 
assign ((residue 76 and name HA)) ((residue 76 and name HG#)) 4.01 2.21 0 
assign ((residue 76 and name HG#)) ((residue 77 and name HN)) 3.76 1.96 0 
assign ((residue 46 and name HA)) ((residue 76 and name HG#)) 3.85 2.05 0 
assign ((residue 46 and name HG#)) ((residue 76 and name HG#)) 3.95 2.15 0 
assign ((residue 42 and name HN)) ((residue 76 and name HG#)) 3.44 1.64 0 
assign ((residue 76 and name HA)) ((residue 76 and name HG#)) 3.35 1.55 0 
assign ((residue 40 and name HB)) ((residue 77 and name HB)) 3.64 1.84 0 
assign ((residue 76 and name HA)) ((residue 77 and name HG#)) 4.95 3.15 0 
assign ((residue 77 and name HG#)) ((residue 78 and name HN)) 3.22 1.42 0 
assign ((residue 78 and name HN)) ((residue 78 and name HG#)) 3.93 2.13 0 
assign ((residue 80 and name HB#)) ((residue 82 and name HN)) 4.47 2.67 0 
assign ((residue 80 and name HB#)) ((residue 81 and name HN)) 4.31 2.51 0 
assign ((residue 37 and name HA)) ((residue 80 and name HD#)) 5.08 3.28 0 
assign ((residue 38 and name HN)) ((residue 80 and name HD#)) 5.13 3.33 0 
assign ((residue 80 and name HG#)) ((residue 82 and name HN)) 5.25 3.45 0 
assign ((residue 37 and name HA)) ((residue 80 and name HG#)) 5.16 3.36 0 
assign ((residue 80 and name HG#)) ((residue 83 and name HG#)) 4.65 2.85 0 
assign ((residue 71 and name HD#)) ((residue 81 and name HA)) 3.95 2.15 0 
assign ((residue 82 and name HA)) ((residue 83 and name HA)) 4.57 2.77 0 
assign ((residue 71 and name HG)) ((residue 82 and name HA)) 4.67 2.87 0 
assign ((residue 69 and name HN)) ((residue 82 and name HB)) 5.58 3.78 0 
assign ((residue 82 and name HB)) ((residue 83 and name HN)) 3.52 1.72 0 
assign ((residue 74 and name HG#)) ((residue 76 and name HN)) 5.45 3.65 0 !+0.01
assign ((residue 83 and name HN)) ((residue 83 and name HG#)) 3.86 2.06 0 
assign ((residue 69 and name HN)) ((residue 83 and name HG#)) 4.44 2.64 0 
assign ((residue 82 and name HA)) ((residue 83 and name HG#)) 4.61 2.81 0 
assign ((residue 83 and name HG#)) ((residue 84 and name HA)) 5.11 3.31 0 
assign ((residue 32 and name HB#)) ((residue 83 and name HG#)) 4.65 2.85 0 
assign ((residue 32 and name HB#)) ((residue 83 and name HG#)) 4.65 2.85 0 
assign ((residue 34 and name HN)) ((residue 83 and name HG#)) 5.28 3.48 0 
assign ((residue 83 and name HG#)) ((residue 84 and name HN)) 3.69 1.89 0 
assign ((residue 68 and name HA)) ((residue 84 and name HA)) 3.64 1.84 0 
assign ((residue 33 and name HB#)) ((residue 84 and name HB#)) 4.80 3 0 
assign ((residue 84 and name HA)) ((residue 84 and name HG#)) 4.25 2.45 0 
assign ((residue 30 and name HA)) ((residue 85 and name HG#)) 4.71 2.91 0 
assign ((residue 30 and name HB#)) ((residue 85 and name HG#)) 3.58 1.78 0 
assign ((residue 30 and name HB#)) ((residue 85 and name HG#)) 3.58 1.78 0 
assign ((residue 32 and name HA)) ((residue 85 and name HG#)) 4.59 2.79 0 
assign ((residue 85 and name HN)) ((residue 85 and name HG#)) 4.00 2.2 0 
assign ((residue 85 and name HG#)) ((residue 86 and name HN)) 3.45 1.65 0 
assign ((residue 85 and name HN)) ((residue 85 and name HG#)) 3.37 1.57 0 
assign ((residue 87 and name HB#)) ((residue 87 and name HD#)) 3.44 1.64 0 
assign ((residue 87 and name HB#)) ((residue 87 and name HD#)) 3.44 1.64 0 
assign ((residue 31 and name HN)) ((residue 87 and name HD#)) 4.81 3.01 0 
assign ((residue 87 and name HB#)) ((residue 87 and name HD#)) 3.43 1.63 0 
assign ((residue 30 and name HA)) ((residue 87 and name HD#)) 3.82 2.02 0 
assign ((residue 30 and name HB#)) ((residue 87 and name HD#)) 3.18 1.38 0 
assign ((residue 30 and name HB#)) ((residue 87 and name HD#)) 3.18 1.38 0 
assign ((residue 64 and name HN)) ((residue 89 and name HB)) 4.40 2.6 0 
assign ((residue 63 and name HN)) ((residue 89 and name HB)) 5.08 3.28 0 
assign ((residue 89 and name HB)) ((residue 91 and name HE21)) 5.77 3.97 0 
assign ((residue 90 and name HN)) ((residue 90 and name HB)) 3.58 1.78 0 
assign ((residue 90 and name HB)) ((residue 91 and name HN)) 4.32 2.52 0 !+0.01
assign ((residue 90 and name HN)) ((residue 90 and name HG#)) 3.94 2.14 0 
assign ((residue 90 and name HG#)) ((residue 91 and name HN)) 3.55 1.75 0 
assign ((residue 93 and name HA)) ((residue 93 and name HD#)) 4.12 2.32 0 
assign ((residue 93 and name HD#)) ((residue 94 and name HN)) 4.85 3.05 0 
assign ((residue 93 and name HA)) ((residue 93 and name HD#)) 4.12 2.32 0 
assign ((residue 2 and name HN)) ((residue 2 and name HG1#)) 3.88 2.08 0 
assign ((residue 4 and name HA)) ((residue 4 and name HD#)) 3.47 1.67 0 
assign ((residue 4 and name HB#)) ((residue 4 and name HD#)) 2.59 0.79 0 
assign ((residue 4 and name HD#)) ((residue 5 and name HN)) 4.68 2.88 0 
assign ((residue 4 and name HD#)) ((residue 5 and name HD#)) 5.04 3.24 0 !+0.06
assign ((residue 7 and name HN)) ((residue 7 and name HB#)) 3.15 1.35 0 
assign ((residue 7 and name HN)) ((residue 7 and name HD#)) 3.62 1.82 0 
assign ((residue 7 and name HA)) ((residue 7 and name HD#)) 2.89 1.09 0 
assign ((residue 7 and name HB#)) ((residue 8 and name HN)) 3.91 2.11 0 
assign ((residue 7 and name HD#)) ((residue 8 and name HN)) 3.58 1.78 0 
assign ((residue 7 and name HD#)) ((residue 43 and name HN)) 4.60 2.8 0 
assign ((residue 7 and name HD#)) ((residue 43 and name HA)) 4.33 2.53 0 
assign ((residue 7 and name HD#)) ((residue 43 and name HB#)) 4.65 2.85 0 
assign ((residue 7 and name HD#)) ((residue 43 and name HG#)) 4.36 2.56 0 
assign ((residue 7 and name HD#)) ((residue 43 and name HE#)) 4.75 2.95 0 
assign ((residue 7 and name HD#)) ((residue 44 and name HN)) 5.92 4.12 0 
assign ((residue 8 and name HA)) ((residue 40 and name HG#)) 3.88 2.08 0 
assign ((residue 8 and name HB#)) ((residue 40 and name HG#)) 3.65 1.85 0 
assign ((residue 9 and name HN)) ((residue 40 and name HG#)) 4.61 2.81 0 
assign ((residue 10 and name HN)) ((residue 11 and name HG#)) 5.80 4 0 
assign ((residue 10 and name HN)) ((residue 36 and name HB#)) 6.56 4.76 0 !+0.75
assign ((residue 10 and name HA)) ((residue 11 and name HG#)) 4.82 3.02 0 
assign ((residue 10 and name HA)) ((residue 37 and name HG#)) 5.02 3.22 0 
assign ((residue 10 and name HB#)) ((residue 37 and name HG#)) 4.95 3.15 0 
assign ((residue 11 and name HN)) ((residue 12 and name HD#)) 5.36 3.56 0 
assign ((residue 11 and name HN)) ((residue 36 and name HB#)) 4.66 2.86 0 
assign ((residue 11 and name HN)) ((residue 37 and name HG#)) 4.42 2.62 0 
assign ((residue 11 and name HA)) ((residue 12 and name HD#)) 3.02 1.22 0 
assign ((residue 11 and name HB)) ((residue 12 and name HD#)) 4 2.2 0 !+0.82
assign ((residue 11 and name HB)) ((residue 51 and name HB#)) 5.07 3.27 0 
assign ((residue 11 and name HG#)) ((residue 12 and name HD#)) 3.55 1.75 0 
assign ((residue 12 and name HB#)) ((residue 51 and name HB#)) 4.09 2.29 0 !+0.15
assign ((residue 12 and name HB#)) ((residue 51 and name HB#)) 4.14 2.34 0 !+0.25
assign ((residue 12 and name HG#)) ((residue 13 and name HN)) 4.97 3.17 0 
assign ((residue 12 and name HD#)) ((residue 51 and name HA)) 3.64 1.84 0 
assign ((residue 13 and name HN)) ((residue 13 and name HG#)) 3.39 1.59 0 
assign ((residue 13 and name HN)) ((residue 35 and name HA#)) 4.41 2.61 0 
assign ((residue 13 and name HN)) ((residue 36 and name HB#)) 5.16 3.36 0 
assign ((residue 13 and name HA)) ((residue 13 and name HG#)) 3.11 1.31 0 
assign ((residue 13 and name HB)) ((residue 35 and name HA#)) 4.94 3.14 0 
assign ((residue 13 and name HG#)) ((residue 14 and name HN)) 3.39 1.59 0 
assign ((residue 13 and name HG#)) ((residue 15 and name HN)) 4.80 3 0 
assign ((residue 13 and name HG#)) ((residue 36 and name HN)) 4.24 2.44 0 
assign ((residue 13 and name HG#)) ((residue 36 and name HA)) 3.98 2.18 0 
assign ((residue 13 and name HG#)) ((residue 52 and name HN)) 4.61 2.81 0 
assign ((residue 13 and name HG#)) ((residue 52 and name HB)) 3.31 1.51 0 
assign ((residue 13 and name HG#)) ((residue 54 and name HN)) 4.84 3.04 0 
assign ((residue 14 and name HG#)) ((residue 51 and name HB#)) 5.22 3.42 0 
assign ((residue 15 and name HN)) ((residue 15 and name HD#)) 4.07 2.27 0 
assign ((residue 15 and name HA)) ((residue 15 and name HD#)) 3.18 1.38 0 
assign ((residue 15 and name HD#)) ((residue 16 and name HN)) 4.70 2.9 0 
assign ((residue 15 and name HD#)) ((residue 30 and name HN)) 5.84 4.04 0 
assign ((residue 15 and name HD#)) ((residue 30 and name HB#)) 3.89 2.09 0 
assign ((residue 15 and name HD#)) ((residue 31 and name HN)) 5.27 3.47 0 
assign ((residue 15 and name HD#)) ((residue 54 and name HN)) 4.04 2.24 0 !+0.02
assign ((residue 15 and name HD#)) ((residue 54 and name HB)) 3.73 1.93 0 
assign ((residue 15 and name HD#)) ((residue 56 and name HB)) 3.99 2.19 0 !+0.35
assign ((residue 15 and name HD#)) ((residue 56 and name HG#)) 3.80 2 0 
assign ((residue 15 and name HD#)) ((residue 87 and name HD#)) 3.39 1.59 0 
assign ((residue 16 and name HN)) ((residue 55 and name HB#)) 4.80 3 0 
assign ((residue 16 and name HN)) ((residue 56 and name HG#)) 4.63 2.83 0 
assign ((residue 16 and name HA)) ((residue 17 and name HD#)) 5.72 3.92 0 
assign ((residue 17 and name HN)) ((residue 17 and name HB#)) 3.07 1.27 0 
assign ((residue 17 and name HN)) ((residue 17 and name HD#)) 3.45 1.65 0 
assign ((residue 17 and name HA)) ((residue 17 and name HD#)) 3.15 1.35 0 !+0.15
assign ((residue 17 and name HA)) ((residue 56 and name HG#)) 5.10 3.3 0 
assign ((residue 17 and name HB#)) ((residue 18 and name HN)) 4.09 2.29 0 
assign ((residue 17 and name HD#)) ((residue 18 and name HN)) 3.65 1.85 0 !+0.32
assign ((residue 17 and name HD#) or (residue 58 and name HD#)) ((residue 19 and name HN)) 5.28 3.48 0 
assign ((residue 18 and name HB)) ((residue 19 and name HA#)) 4.55 2.75 0 
assign ((residue 18 and name HB)) ((residue 55 and name HB#)) 5.11 3.31 0 
assign ((residue 18 and name HG#)) ((residue 55 and name HB#)) 3.81 2.01 0 
assign ((residue 19 and name HN)) ((residue 20 and name HB#)) 5.97 4.17 0 !+0.47
assign ((residue 19 and name HA#)) ((residue 20 and name HB#)) 4.67 2.87 0 
assign ((residue 19 and name HA#)) ((residue 21 and name HN)) 5.81 4.01 0 
assign ((residue 20 and name HN)) ((residue 20 and name HB#)) 2.88 1.08 0 
assign ((residue 20 and name HN)) ((residue 59 and name HB#)) 4.05 2.25 0 !+0.01
assign ((residue 20 and name HB#)) ((residue 21 and name HN)) 3.32 1.52 0 
assign ((residue 21 and name HA)) ((residue 25 and name HG#)) 4.67 2.87 0 
assign ((residue 22 and name HN)) ((residue 25 and name HG#)) 4.18 2.38 0 
assign ((residue 24 and name HN)) ((residue 24 and name HB#)) 3.20 1.4 0 
assign ((residue 24 and name HN)) ((residue 24 and name HD#)) 4.54 2.74 0 
assign ((residue 24 and name HN)) ((residue 25 and name HG#)) 3.89 2.09 0 
assign ((residue 24 and name HB#)) ((residue 92 and name HN)) 5.01 3.21 0 !+0.05
assign ((residue 24 and name HD#)) ((residue 25 and name HG#)) 4.44 2.64 0 
assign ((residue 24 and name HD#)) ((residue 62 and name HA)) 4.06 2.26 0 
assign ((residue 24 and name HD#)) ((residue 62 and name HG#)) 4.33 2.53 0 
assign ((residue 24 and name HD#)) ((residue 91 and name HB#)) 5.53 3.73 0 
assign ((residue 24 and name HD#)) ((residue 91 and name HG#)) 5.61 3.81 0 
assign ((residue 24 and name HD#)) ((residue 91 and name HE21)) 4.80 3 0 
assign ((residue 24 and name HD#)) ((residue 91 and name HE22)) 4.17 2.37 0 
assign ((residue 25 and name HG#)) ((residue 26 and name HN)) 3.65 1.85 0 
assign ((residue 25 and name HG#)) ((residue 26 and name HB#)) 4.59 2.79 0 
assign ((residue 25 and name HG#)) ((residue 27 and name HN)) 3.40 1.6 0 
assign ((residue 25 and name HG#)) ((residue 91 and name HE21)) 5.36 3.56 0 
assign ((residue 25 and name HG#)) ((residue 91 and name HE22)) 5.92 4.12 0 
assign ((residue 29 and name HN)) ((residue 88 and name HB#)) 4.43 2.63 0 
assign ((residue 30 and name HN)) ((residue 88 and name HB#)) 5.81 4.01 0 
assign ((residue 30 and name HB#)) ((residue 85 and name HG#)) 4.23 2.43 0 
assign ((residue 30 and name HB#)) ((residue 85 and name HG#)) 3.12 1.32 0 
assign ((residue 30 and name HB#)) ((residue 88 and name HN)) 4.52 2.72 0 !+0.13
assign ((residue 31 and name HB#)) ((residue 86 and name HD#)) 5.81 4.01 0 
assign ((residue 32 and name HN)) ((residue 32 and name HB#)) 3.22 1.42 0 
assign ((residue 32 and name HA)) ((residue 86 and name HD#)) 5.71 3.91 0 
assign ((residue 32 and name HB#)) ((residue 33 and name HN)) 3.19 1.39 0 
assign ((residue 32 and name HB#)) ((residue 34 and name HN)) 3.35 1.55 0 
assign ((residue 32 and name HB#)) ((residue 35 and name HA#)) 4.42 2.62 0 
assign ((residue 32 and name HB#)) ((residue 83 and name HG#)) 3.99 2.19 0 
assign ((residue 32 and name HB#)) ((residue 86 and name HN)) 5.57 3.77 0 
assign ((residue 34 and name HB#)) ((residue 34 and name HD#)) 3.26 1.46 0 
assign ((residue 34 and name HB#)) ((residue 36 and name HN)) 4.10 2.3 0 
assign ((residue 36 and name HN)) ((residue 36 and name HB#)) 3.18 1.38 0 !+0.05
assign ((residue 37 and name HN)) ((residue 37 and name HG#)) 3.23 1.43 0 
assign ((residue 37 and name HN)) ((residue 78 and name HG#)) 5.87 4.07 0 
assign ((residue 37 and name HG#)) ((residue 38 and name HN)) 3.32 1.52 0 !+0.03
assign ((residue 37 and name HG#)) ((residue 39 and name HN)) 5.20 3.4 0 
assign ((residue 37 and name HG#)) ((residue 80 and name HG#)) 4.25 2.45 0 
assign ((residue 37 and name HG#)) ((residue 80 and name HG#)) 4.72 2.92 0 
assign ((residue 37 and name HG#)) ((residue 80 and name HD#)) 3.47 1.67 0 
assign ((residue 37 and name HG#)) ((residue 80 and name HD#)) 4.02 2.22 0 
assign ((residue 38 and name HN)) ((residue 78 and name HG#)) 4.81 3.01 0 
assign ((residue 39 and name HA)) ((residue 78 and name HG#)) 4.10 2.3 0 
assign ((residue 40 and name HN)) ((residue 40 and name HG#)) 3.42 1.62 0 
assign ((residue 40 and name HB)) ((residue 79 and name HE#)) 4.40 2.6 0 
assign ((residue 40 and name HG#)) ((residue 41 and name HN)) 3.37 1.57 0 
assign ((residue 40 and name HG#)) ((residue 42 and name HN)) 5.79 3.99 0 
assign ((residue 40 and name HG#)) ((residue 77 and name HN)) 5.52 3.72 0 
assign ((residue 40 and name HG#)) ((residue 77 and name HB)) 3.97 2.17 0 
assign ((residue 40 and name HG#)) ((residue 79 and name HE#)) 4.09 2.29 0 
assign ((residue 42 and name HN)) ((residue 42 and name HB#)) 3.07 1.27 0 
assign ((residue 42 and name HB#)) ((residue 43 and name HN)) 3.41 1.61 0 
assign ((residue 42 and name HB#)) ((residue 44 and name HN)) 3.96 2.16 0 
assign ((residue 42 and name HB#)) ((residue 45 and name HN)) 4.20 2.4 0 
assign ((residue 43 and name HA)) ((residue 43 and name HE#)) 4.34 2.54 0 
assign ((residue 43 and name HB#)) ((residue 44 and name HN)) 2.96 1.16 0 
assign ((residue 43 and name HG#)) ((residue 43 and name HE#)) 2.96 1.16 0 
assign ((residue 43 and name HE#)) ((residue 46 and name HB#)) 4.29 2.49 0 
assign ((residue 43 and name HE#)) ((residue 46 and name HG#)) 5.34 3.54 0 
assign ((residue 44 and name HN)) ((residue 44 and name HB#)) 3.48 1.68 0 
assign ((residue 44 and name HB#)) ((residue 45 and name HN)) 3.64 1.84 0 
assign ((residue 45 and name HB#)) ((residue 75 and name HA#)) 3.59 1.79 0 
assign ((residue 46 and name HN)) ((residue 46 and name HB#)) 3.11 1.31 0 
assign ((residue 46 and name HB#)) ((residue 47 and name HN)) 3.31 1.51 0 
assign ((residue 48 and name HN)) ((residue 48 and name HB#)) 2.87 1.07 0 
assign ((residue 48 and name HN)) ((residue 49 and name HG1#)) 3.96 2.16 0 !+0.55
assign ((residue 48 and name HB#)) ((residue 48 and name HE#)) 5.29 3.49 0 
assign ((residue 49 and name HN)) ((residue 49 and name HG1#)) 3.43 1.63 0 
assign ((residue 49 and name HG2#)) ((residue 49 and name HG1#)) 3.26 1.46 0 
assign ((residue 49 and name HG1#)) ((residue 50 and name HN)) 4.46 2.66 0 
assign ((residue 51 and name HN)) ((residue 51 and name HB#)) 3.70 1.9 0 
assign ((residue 51 and name HB#)) ((residue 52 and name HN)) 3.34 1.54 0 
assign ((residue 55 and name HA)) ((residue 56 and name HG#)) 4.29 2.49 0 
assign ((residue 55 and name HG#)) ((residue 56 and name HN)) 4.86 3.06 0 
assign ((residue 56 and name HN)) ((residue 56 and name HG#)) 3.42 1.62 0 
assign ((residue 56 and name HA)) ((residue 56 and name HG#)) 2.98 1.18 0 
assign ((residue 56 and name HG#)) ((residue 57 and name HN)) 3.41 1.61 0 
assign ((residue 56 and name HG#)) ((residue 57 and name HB#)) 4.51 2.71 0 
assign ((residue 56 and name HG#)) ((residue 58 and name HN)) 4.30 2.5 0 
assign ((residue 56 and name HG#)) ((residue 58 and name HA)) 4.10 2.3 0 
assign ((residue 56 and name HG#)) ((residue 58 and name HB)) 5.55 3.75 0 
assign ((residue 57 and name HN)) ((residue 57 and name HB#)) 2.91 1.11 0 
assign ((residue 57 and name HB#)) ((residue 58 and name HN)) 4.25 2.45 0 
assign ((residue 58 and name HN)) ((residue 58 and name HG1#)) 3.83 2.03 0 
assign ((residue 58 and name HA)) ((residue 61 and name HG#)) 3.63 1.83 0 
assign ((residue 58 and name HG1#)) ((residue 59 and name HN)) 4.57 2.77 0 
assign ((residue 59 and name HN)) ((residue 59 and name HB#)) 3.42 1.62 0 
assign ((residue 59 and name HB#)) ((residue 60 and name HE#)) 4.91 3.11 0 
assign ((residue 60 and name HN)) ((residue 61 and name HG#)) 4.76 2.96 0 
assign ((residue 60 and name HA)) ((residue 60 and name HE#)) 5.39 3.59 0 
assign ((residue 61 and name HG#)) ((residue 62 and name HN)) 3.55 1.75 0 
assign ((residue 61 and name HG#)) ((residue 63 and name HN)) 3.18 1.38 0 
assign ((residue 62 and name HN)) ((residue 89 and name HG#)) 3.97 2.17 0 
assign ((residue 63 and name HN)) ((residue 63 and name HB#)) 3.17 1.37 0 
assign ((residue 63 and name HN)) ((residue 89 and name HG#)) 3.36 1.56 0 
assign ((residue 63 and name HB#)) ((residue 64 and name HN)) 3.12 1.32 0 
assign ((residue 63 and name HB#)) ((residue 65 and name HG#)) 5.24 3.44 0 
assign ((residue 63 and name HB#)) ((residue 91 and name HE22)) 5.81 4.01 0 
assign ((residue 64 and name HN)) ((residue 64 and name HB#)) 3.30 1.5 0 
assign ((residue 64 and name HB#)) ((residue 65 and name HN)) 3.82 2.02 0 
assign ((residue 65 and name HN)) ((residue 87 and name HB#)) 4.15 2.35 0 
assign ((residue 65 and name HG#)) ((residue 67 and name HE#)) 4.21 2.41 0 
assign ((residue 65 and name HG#)) ((residue 87 and name HB#)) 3.43 1.63 0 
assign ((residue 66 and name HN)) ((residue 66 and name HB#)) 3.46 1.66 0 
assign ((residue 66 and name HA)) ((residue 67 and name HB#)) 5.01 3.21 0 
assign ((residue 66 and name HB#)) ((residue 84 and name HB#)) 4.70 2.9 0 
assign ((residue 66 and name HB#)) ((residue 86 and name HD#)) 5.61 3.81 0 
assign ((residue 66 and name HB#)) ((residue 87 and name HN)) 5.22 3.42 0 
assign ((residue 67 and name HN)) ((residue 67 and name HB#)) 3.33 1.53 0 
assign ((residue 67 and name HN)) ((residue 67 and name HE#)) 5.81 4.01 0 
assign ((residue 67 and name HB#)) ((residue 68 and name HN)) 3.34 1.54 0 
assign ((residue 67 and name HB#)) ((residue 69 and name HD#)) 3.62 1.82 0 
assign ((residue 67 and name HG#)) ((residue 67 and name HE#)) 3.37 1.57 0 
assign ((residue 67 and name HE#)) ((residue 69 and name HD#)) 4.13 2.33 0 
assign ((residue 68 and name HN)) ((residue 69 and name HD#)) 4.90 3.1 0 
assign ((residue 69 and name HN)) ((residue 69 and name HB#)) 3.27 1.47 0 
assign ((residue 69 and name HN)) ((residue 69 and name HD#)) 3.72 1.92 0 
assign ((residue 69 and name HB#)) ((residue 70 and name HN)) 3.43 1.63 0 
assign ((residue 69 and name HB#)) ((residue 83 and name HN)) 4.23 2.43 0 !+0.18
assign ((residue 69 and name HB#)) ((residue 83 and name HG#)) 3.16 1.36 0 
assign ((residue 69 and name HD#)) ((residue 70 and name HN)) 3.66 1.86 0 !+0.21
assign ((residue 70 and name HN)) ((residue 70 and name HG#)) 3.59 1.79 0 
assign ((residue 70 and name HA)) ((residue 70 and name HG#)) 3.73 1.93 0 
assign ((residue 71 and name HN)) ((residue 71 and name HB#)) 3.41 1.61 0 
assign ((residue 71 and name HB#)) ((residue 71 and name HD#)) 3.31 1.51 0 
assign ((residue 71 and name HB#)) ((residue 81 and name HA)) 3.60 1.8 0 
assign ((residue 72 and name HN)) ((residue 78 and name HG#)) 4.80 3 0 
assign ((residue 74 and name HA)) ((residue 75 and name HA#)) 4.44 2.64 0 
assign ((residue 74 and name HB#)) ((residue 75 and name HA#)) 5.16 3.36 0 
assign ((residue 74 and name HG#)) ((residue 75 and name HA#)) 5.25 3.45 0 !+0.58
assign ((residue 75 and name HN)) ((residue 75 and name HA#)) 2.56 0.76 0 
assign ((residue 75 and name HA#)) ((residue 76 and name HG#)) 4.35 2.55 0 
assign ((residue 77 and name HG#)) ((residue 79 and name HE#)) 4.46 2.66 0 
assign ((residue 78 and name HN)) ((residue 78 and name HG#)) 3.06 1.26 0 
assign ((residue 78 and name HG#)) ((residue 79 and name HN)) 3.02 1.22 0 
assign ((residue 78 and name HG#)) ((residue 81 and name HN)) 4.67 2.87 0 
assign ((residue 84 and name HB#)) ((residue 86 and name HD#)) 4.97 3.17 0 
assign ((residue 86 and name HN)) ((residue 86 and name HD#)) 4.64 2.84 0 
assign ((residue 86 and name HB#)) ((residue 86 and name HD#)) 3.28 1.48 0 
assign ((residue 87 and name HA)) ((residue 88 and name HB#)) 4.73 2.93 0 
assign ((residue 87 and name HB#)) ((residue 87 and name HD#)) 2.85 1.05 0 
assign ((residue 87 and name HB#)) ((residue 88 and name HN)) 4.11 2.31 0 
assign ((residue 88 and name HN)) ((residue 88 and name HB#)) 3.32 1.52 0 
assign ((residue 88 and name HB#)) ((residue 89 and name HN)) 4.00 2.2 0 
assign ((residue 89 and name HN)) ((residue 89 and name HG#)) 3.48 1.68 0 
assign ((residue 89 and name HG#)) ((residue 90 and name HN)) 3.56 1.76 0 
assign ((residue 89 and name HG#)) ((residue 91 and name HN)) 4.90 3.1 0 
assign ((residue 89 and name HG#)) ((residue 91 and name HG#)) 4.98 3.18 0 
assign ((residue 89 and name HG#)) ((residue 91 and name HE21)) 3.83 2.03 0 
assign ((residue 89 and name HG#)) ((residue 91 and name HE22)) 3.97 2.17 0 
assign ((residue 90 and name HA)) ((residue 91 and name HG#)) 4.53 2.73 0 
assign ((residue 91 and name HN)) ((residue 91 and name HB#)) 3.34 1.54 0 
assign ((residue 91 and name HN)) ((residue 91 and name HG#)) 3.34 1.54 0 
assign ((residue 91 and name HN)) ((residue 93 and name HD#)) 5.92 4.12 0 
assign ((residue 91 and name HB#)) ((residue 91 and name HE21)) 4.05 2.25 0 
assign ((residue 91 and name HB#)) ((residue 91 and name HE22)) 4.27 2.47 0 
assign ((residue 91 and name HB#)) ((residue 92 and name HN)) 3.40 1.6 0 
assign ((residue 92 and name HN)) ((residue 93 and name HD#)) 4.96 3.16 0 
assign ((residue 93 and name HA)) ((residue 93 and name HD#)) 3.02 1.22 0 
assign ((residue 93 and name HB#)) ((residue 94 and name HN)) 3.82 2.02 0 
assign ((residue 93 and name HD#)) ((residue 94 and name HN)) 3.97 2.17 0 !+0.1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           1HT      LYS   1  34.727   4.276  -3.217
    2    H2   LYS   1           2HT      LYS   1  35.665   3.649  -4.486
    3    H3   LYS   1           3HT      LYS   1  36.031   3.247  -2.875
    4    HA   LYS   1           HA       LYS   1  33.725   2.363  -4.514
    5    HB2  LYS   1           2HB      LYS   1  35.820   0.928  -2.857
    6    HB3  LYS   1           1HB      LYS   1  34.527   0.129  -3.755
    7    HG2  LYS   1           2HG      LYS   1  35.409   1.170  -5.866
    8    HG3  LYS   1           1HG      LYS   1  36.762   1.824  -4.942
    9    HD2  LYS   1           2HD      LYS   1  36.094  -1.135  -5.211
   10    HD3  LYS   1           1HD      LYS   1  37.347  -0.300  -6.121
   11    HE2  LYS   1           2HE      LYS   1  38.378   0.338  -3.831
   12    HE3  LYS   1           1HE      LYS   1  37.301  -0.881  -3.141
   13    HZ1  LYS   1           2HZ      LYS   1  39.559  -1.224  -4.971
   14    HZ2  LYS   1           3HZ      LYS   1  38.265  -2.324  -5.057
   15    HZ3  LYS   1           1HZ      LYS   1  39.118  -2.131  -3.604
   16    H    ILE   2           H        ILE   2  33.963   4.114  -1.931
   17    HA   ILE   2           HA       ILE   2  32.840   4.369   0.046
   18    HB   ILE   2           HB       ILE   2  30.887   2.314  -1.061
   19   HG12  ILE   2          2HG1      ILE   2  31.289   3.868  -2.887
   20   HG13  ILE   2          1HG1      ILE   2  29.737   4.274  -2.162
   21   HG21  ILE   2          1HG2      ILE   2  29.228   3.655   0.171
   22   HG22  ILE   2          2HG2      ILE   2  30.500   4.753   0.709
   23   HG23  ILE   2          3HG2      ILE   2  30.495   3.077   1.251
   24   HD11  ILE   2          3HD1      ILE   2  32.365   5.749  -1.933
   25   HD12  ILE   2          1HD1      ILE   2  31.067   6.033  -0.767
   26   HD13  ILE   2          2HD1      ILE   2  30.806   6.357  -2.479
   27    H    SER   3           H        SER   3  34.269   3.508   1.528
   28    HA   SER   3           HA       SER   3  34.780   0.773   1.968
   29    HB2  SER   3           2HB      SER   3  36.238   2.570   2.794
   30    HB3  SER   3           1HB      SER   3  34.976   3.084   3.912
   31    HG   SER   3           HG       SER   3  35.089   0.831   4.694
   32    H    LEU   4           H        LEU   4  32.464   2.982   3.419
   33    HA   LEU   4           HA       LEU   4  31.429   1.168   5.372
   34    HB2  LEU   4           2HB      LEU   4  30.412   3.739   4.125
   35    HB3  LEU   4           1HB      LEU   4  29.383   2.829   5.231
   36    HG   LEU   4           HG       LEU   4  31.074   3.003   7.003
   37   HD11  LEU   4          1HD1      LEU   4  32.732   4.379   4.864
   38   HD12  LEU   4          2HD1      LEU   4  33.152   2.973   5.848
   39   HD13  LEU   4          3HD1      LEU   4  33.071   4.572   6.587
   40   HD21  LEU   4          3HD2      LEU   4  30.922   5.442   7.383
   41   HD22  LEU   4          1HD2      LEU   4  29.399   4.809   6.755
   42   HD23  LEU   4          2HD2      LEU   4  30.500   5.682   5.687
   43    H    ARG   5           H        ARG   5  29.590  -0.069   5.341
   44    HA   ARG   5           HA       ARG   5  28.401  -0.774   2.687
   45    HB2  ARG   5           2HB      ARG   5  29.230  -2.614   4.958
   46    HB3  ARG   5           1HB      ARG   5  28.470  -3.116   3.444
   47    HG2  ARG   5           2HG      ARG   5  30.397  -2.277   2.166
   48    HG3  ARG   5           1HG      ARG   5  31.154  -1.685   3.645
   49    HD2  ARG   5           2HD      ARG   5  32.135  -3.824   3.028
   50    HD3  ARG   5           1HD      ARG   5  31.218  -3.999   4.523
   51    HE   ARG   5           HE       ARG   5  29.544  -4.592   2.300
   52   HH11  ARG   5          1HH2      ARG   5  32.234  -5.861   4.094
   53   HH12  ARG   5          2HH2      ARG   5  31.864  -7.514   3.732
   54   HH21  ARG   5          1HH1      ARG   5  29.064  -6.755   1.837
   55   HH22  ARG   5          2HH1      ARG   5  30.073  -8.018   2.458
   56    H    LYS   6           H        LYS   6  27.332   1.058   4.661
   57    HA   LYS   6           HA       LYS   6  24.823  -0.391   5.385
   58    HB2  LYS   6           2HB      LYS   6  26.341   1.598   7.119
   59    HB3  LYS   6           1HB      LYS   6  24.734   0.955   7.473
   60    HG2  LYS   6           2HG      LYS   6  25.667  -1.343   7.497
   61    HG3  LYS   6           1HG      LYS   6  27.275  -0.684   7.189
   62    HD2  LYS   6           2HD      LYS   6  27.174   0.589   9.298
   63    HD3  LYS   6           1HD      LYS   6  25.553  -0.037   9.607
   64    HE2  LYS   6           2HE      LYS   6  27.239  -1.336  10.852
   65    HE3  LYS   6           1HE      LYS   6  26.450  -2.342   9.637
   66    HZ1  LYS   6           3HZ      LYS   6  28.992  -2.389   9.802
   67    HZ2  LYS   6           1HZ      LYS   6  28.941  -0.891   9.010
   68    HZ3  LYS   6           2HZ      LYS   6  28.289  -2.271   8.260
   69    H    LEU   7           H        LEU   7  23.054   0.634   4.724
   70    HA   LEU   7           HA       LEU   7  22.839   3.469   4.525
   71    HB2  LEU   7           2HB      LEU   7  24.141   2.607   2.389
   72    HB3  LEU   7           1HB      LEU   7  22.578   1.984   1.882
   73    HG   LEU   7           HG       LEU   7  21.741   4.495   2.426
   74   HD11  LEU   7          1HD1      LEU   7  23.459   6.183   2.003
   75   HD12  LEU   7          2HD1      LEU   7  24.688   4.935   1.797
   76   HD13  LEU   7          3HD1      LEU   7  23.955   5.199   3.375
   77   HD21  LEU   7          3HD2      LEU   7  21.674   3.487   0.182
   78   HD22  LEU   7          1HD2      LEU   7  23.393   3.822  -0.032
   79   HD23  LEU   7          2HD2      LEU   7  22.239   5.154   0.090
   80    H    SER   8           H        SER   8  20.733   4.146   4.095
   81    HA   SER   8           HA       SER   8  18.632   2.097   3.832
   82    HB2  SER   8           2HB      SER   8  17.452   2.881   5.812
   83    HB3  SER   8           1HB      SER   8  19.071   2.382   6.280
   84    HG   SER   8           HG       SER   8  17.907   4.733   6.617
   85    H    LYS   9           H        LYS   9  16.717   2.887   3.052
   86    HA   LYS   9           HA       LYS   9  16.433   5.731   2.397
   87    HB2  LYS   9           2HB      LYS   9  16.437   3.490   0.343
   88    HB3  LYS   9           1HB      LYS   9  15.831   5.109   0.003
   89    HG2  LYS   9           2HG      LYS   9  18.694   4.552   0.873
   90    HG3  LYS   9           1HG      LYS   9  18.198   4.664  -0.803
   91    HD2  LYS   9           2HD      LYS   9  17.455   6.982  -0.463
   92    HD3  LYS   9           1HD      LYS   9  17.905   6.906   1.230
   93    HE2  LYS   9           2HE      LYS   9  20.246   6.517   0.625
   94    HE3  LYS   9           1HE      LYS   9  19.817   6.584  -1.087
   95    HZ1  LYS   9           3HZ      LYS   9  18.774   8.840  -0.415
   96    HZ2  LYS   9           1HZ      LYS   9  20.448   8.739  -0.666
   97    HZ3  LYS   9           2HZ      LYS   9  19.827   8.740   0.914
   98    H    SER  10           H        SER  10  14.365   6.186   1.441
   99    HA   SER  10           HA       SER  10  12.205   4.493   2.663
  100    HB2  SER  10           2HB      SER  10  12.279   6.654   3.733
  101    HB3  SER  10           1HB      SER  10  12.388   7.478   2.177
  102    HG   SER  10           HG       SER  10  10.215   6.415   3.491
  103    H    VAL  11           H        VAL  11  10.634   3.777   1.391
  104    HA   VAL  11           HA       VAL  11  10.400   4.744  -1.418
  105    HB   VAL  11           HB       VAL  11   9.803   2.252  -1.916
  106   HG11  VAL  11          1HG1      VAL  11  12.666   3.036  -1.250
  107   HG12  VAL  11          2HG1      VAL  11  11.834   3.370  -2.771
  108   HG13  VAL  11          3HG1      VAL  11  12.182   1.713  -2.314
  109   HG21  VAL  11          3HG2      VAL  11  10.916   0.611  -0.477
  110   HG22  VAL  11          1HG2      VAL  11   9.758   1.510   0.492
  111   HG23  VAL  11          2HG2      VAL  11  11.477   1.878   0.610
  112    HA   PRO  12           HA       PRO  12   6.261   5.312   0.562
  113    HB2  PRO  12           2HB      PRO  12   5.743   6.569  -2.154
  114    HB3  PRO  12           1HB      PRO  12   5.322   7.194  -0.541
  115    HG2  PRO  12           2HG      PRO  12   7.374   8.231  -1.904
  116    HG3  PRO  12           1HG      PRO  12   7.494   7.974  -0.154
  117    HD2  PRO  12           2HD      PRO  12   8.707   6.315  -2.377
  118    HD3  PRO  12           1HD      PRO  12   9.388   6.759  -0.790
  119    H    VAL  13           H        VAL  13   4.393   4.122   0.327
  120    HA   VAL  13           HA       VAL  13   4.397   1.965  -1.674
  121    HB   VAL  13           HB       VAL  13   2.598   1.015  -0.326
  122   HG11  VAL  13          1HG1      VAL  13   3.824   0.731   1.793
  123   HG12  VAL  13          2HG1      VAL  13   4.841   2.111   1.395
  124   HG13  VAL  13          3HG1      VAL  13   4.915   0.648   0.412
  125   HG21  VAL  13          3HG2      VAL  13   1.314   2.966   0.339
  126   HG22  VAL  13          1HG2      VAL  13   2.703   3.664   1.170
  127   HG23  VAL  13          2HG2      VAL  13   1.911   2.232   1.823
  128    H    LYS  14           H        LYS  14   2.934   1.760  -3.278
  129    HA   LYS  14           HA       LYS  14   0.907   3.937  -3.675
  130    HB2  LYS  14           2HB      LYS  14   2.513   2.378  -5.733
  131    HB3  LYS  14           1HB      LYS  14   1.244   3.554  -6.086
  132    HG2  LYS  14           2HG      LYS  14   2.529   5.342  -5.006
  133    HG3  LYS  14           1HG      LYS  14   3.768   4.192  -4.508
  134    HD2  LYS  14           2HD      LYS  14   4.529   5.411  -6.493
  135    HD3  LYS  14           1HD      LYS  14   4.280   3.716  -6.892
  136    HE2  LYS  14           2HE      LYS  14   2.269   4.199  -8.111
  137    HE3  LYS  14           1HE      LYS  14   2.125   5.807  -7.389
  138    HZ1  LYS  14           3HZ      LYS  14   3.858   4.867  -9.541
  139    HZ2  LYS  14           1HZ      LYS  14   4.483   6.051  -8.500
  140    HZ3  LYS  14           2HZ      LYS  14   3.048   6.349  -9.360
  141    H    LEU  15           H        LEU  15  -1.070   3.147  -3.375
  142    HA   LEU  15           HA       LEU  15  -1.615   0.271  -3.715
  143    HB2  LEU  15           2HB      LEU  15  -3.114   2.614  -2.513
  144    HB3  LEU  15           1HB      LEU  15  -3.976   1.122  -2.893
  145    HG   LEU  15           HG       LEU  15  -2.378  -0.141  -1.448
  146   HD11  LEU  15          1HD1      LEU  15  -0.384   1.204  -1.549
  147   HD12  LEU  15          2HD1      LEU  15  -0.920   1.248   0.123
  148   HD13  LEU  15          3HD1      LEU  15  -1.223   2.629  -0.935
  149   HD21  LEU  15          3HD2      LEU  15  -3.715   2.227  -0.099
  150   HD22  LEU  15          1HD2      LEU  15  -3.221   0.734   0.700
  151   HD23  LEU  15          2HD2      LEU  15  -4.496   0.698  -0.518
  152    H    GLU  16           H        GLU  16  -2.733  -0.573  -5.350
  153    HA   GLU  16           HA       GLU  16  -3.955   1.239  -7.376
  154    HB2  GLU  16           2HB      GLU  16  -1.779   0.128  -8.105
  155    HB3  GLU  16           1HB      GLU  16  -2.586  -1.429  -7.933
  156    HG2  GLU  16           2HG      GLU  16  -2.710  -0.743 -10.271
  157    HG3  GLU  16           1HG      GLU  16  -4.328  -0.649  -9.584
  158    H    LEU  17           H        LEU  17  -6.060   1.001  -7.354
  159    HA   LEU  17           HA       LEU  17  -7.446  -1.120  -6.068
  160    HB2  LEU  17           2HB      LEU  17  -8.488   0.833  -8.160
  161    HB3  LEU  17           1HB      LEU  17  -9.439  -0.037  -6.957
  162    HG   LEU  17           HG       LEU  17  -7.335   2.086  -6.363
  163   HD11  LEU  17          1HD1      LEU  17  -9.273   3.451  -5.665
  164   HD12  LEU  17          2HD1      LEU  17 -10.362   2.150  -6.142
  165   HD13  LEU  17          3HD1      LEU  17  -9.404   2.989  -7.363
  166   HD21  LEU  17          3HD2      LEU  17  -8.450   1.910  -4.001
  167   HD22  LEU  17          1HD2      LEU  17  -7.310   0.654  -4.464
  168   HD23  LEU  17          2HD2      LEU  17  -9.043   0.339  -4.547
  169    H    THR  18           H        THR  18  -7.907  -3.090  -6.811
  170    HA   THR  18           HA       THR  18  -7.933  -3.624  -9.750
  171    HB   THR  18           HB       THR  18  -6.877  -5.501  -7.601
  172    HG1  THR  18           1HG      THR  18  -4.849  -4.956  -8.492
  173   HG21  THR  18          3HG2      THR  18  -5.986  -6.744  -9.548
  174   HG22  THR  18          1HG2      THR  18  -6.757  -5.587 -10.631
  175   HG23  THR  18          2HG2      THR  18  -7.743  -6.636  -9.612
  176    H    GLY  19           H        GLY  19  -9.631  -4.697 -10.442
  177    HA2  GLY  19           2HA      GLY  19 -11.310  -6.448 -10.193
  178    HA3  GLY  19           1HA      GLY  19 -11.538  -5.970  -8.514
  179    H    ASP  20           H        ASP  20 -13.693  -6.164 -10.146
  180    HA   ASP  20           HA       ASP  20 -14.420  -3.570 -11.274
  181    HB2  ASP  20           2HB      ASP  20 -16.045  -6.080 -10.754
  182    HB3  ASP  20           1HB      ASP  20 -16.598  -4.675 -11.664
  183    H    LYS  21           H        LYS  21 -15.654  -2.032 -10.286
  184    HA   LYS  21           HA       LYS  21 -15.857  -1.985  -7.440
  185    HB2  LYS  21           2HB      LYS  21 -17.146  -0.237  -9.567
  186    HB3  LYS  21           1HB      LYS  21 -17.134   0.129  -7.840
  187    HG2  LYS  21           2HG      LYS  21 -14.667   0.153  -7.856
  188    HG3  LYS  21           1HG      LYS  21 -14.666  -0.221  -9.580
  189    HD2  LYS  21           2HD      LYS  21 -15.886   1.888 -10.031
  190    HD3  LYS  21           1HD      LYS  21 -15.863   2.264  -8.308
  191    HE2  LYS  21           2HE      LYS  21 -13.419   1.901 -10.072
  192    HE3  LYS  21           1HE      LYS  21 -14.034   3.439  -9.467
  193    HZ1  LYS  21           3HZ      LYS  21 -12.468   1.442  -8.127
  194    HZ2  LYS  21           1HZ      LYS  21 -13.829   1.915  -7.232
  195    HZ3  LYS  21           2HZ      LYS  21 -12.700   3.081  -7.737
  196    H    ALA  22           H        ALA  22 -17.577  -2.386  -6.116
  197    HA   ALA  22           HA       ALA  22 -19.626  -4.164  -6.975
  198    HB1  ALA  22           1HB      ALA  22 -20.577  -3.459  -4.594
  199    HB2  ALA  22           2HB      ALA  22 -19.038  -2.611  -4.454
  200    HB3  ALA  22           3HB      ALA  22 -19.057  -4.354  -4.684
  201    H    SER  23           H        SER  23 -21.792  -3.831  -7.381
  202    HA   SER  23           HA       SER  23 -22.552  -1.361  -8.597
  203    HB2  SER  23           2HB      SER  23 -24.746  -2.452  -8.880
  204    HB3  SER  23           1HB      SER  23 -23.432  -3.530  -9.340
  205    HG   SER  23           HG       SER  23 -25.310  -3.896  -7.497
  206    H    ASN  24           H        ASN  24 -22.862  -2.632  -5.363
  207    HA   ASN  24           HA       ASN  24 -24.928  -0.691  -4.567
  208    HB2  ASN  24           2HB      ASN  24 -24.769  -1.836  -2.364
  209    HB3  ASN  24           1HB      ASN  24 -25.105  -2.957  -3.682
  210   HD21  ASN  24          1HD2      ASN  24 -22.747  -2.070  -1.236
  211   HD22  ASN  24          2HD2      ASN  24 -21.656  -3.327  -1.572
  212    H    VAL  25           H        VAL  25 -21.717  -0.464  -5.105
  213    HA   VAL  25           HA       VAL  25 -21.227   1.482  -2.874
  214    HB   VAL  25           HB       VAL  25 -19.206  -0.170  -4.431
  215   HG11  VAL  25          1HG1      VAL  25 -18.265   1.980  -3.683
  216   HG12  VAL  25          2HG1      VAL  25 -17.628   0.675  -2.700
  217   HG13  VAL  25          3HG1      VAL  25 -18.901   1.709  -2.059
  218   HG21  VAL  25          3HG2      VAL  25 -20.204  -0.426  -1.571
  219   HG22  VAL  25          1HG2      VAL  25 -18.914  -1.387  -2.296
  220   HG23  VAL  25          2HG2      VAL  25 -20.566  -1.544  -2.882
  221    H    SER  26           H        SER  26 -21.040   3.522  -3.497
  222    HA   SER  26           HA       SER  26 -21.114   4.320  -6.274
  223    HB2  SER  26           2HB      SER  26 -22.265   5.579  -4.495
  224    HB3  SER  26           1HB      SER  26 -20.715   5.955  -3.752
  225    HG   SER  26           HG       SER  26 -20.481   7.480  -5.166
  226    H    SER  27           H        SER  27 -18.753   4.426  -3.641
  227    HA   SER  27           HA       SER  27 -16.501   4.289  -5.445
  228    HB2  SER  27           2HB      SER  27 -17.056   6.692  -5.632
  229    HB3  SER  27           1HB      SER  27 -16.941   6.854  -3.882
  230    HG   SER  27           HG       SER  27 -14.880   6.012  -5.654
  231    H    ILE  28           H        ILE  28 -14.457   4.256  -4.300
  232    HA   ILE  28           HA       ILE  28 -14.628   3.547  -1.400
  233    HB   ILE  28           HB       ILE  28 -13.025   2.049  -3.515
  234   HG12  ILE  28          2HG1      ILE  28 -15.422   1.108  -1.875
  235   HG13  ILE  28          1HG1      ILE  28 -15.550   1.653  -3.545
  236   HG21  ILE  28          1HG2      ILE  28 -11.876   2.057  -1.331
  237   HG22  ILE  28          2HG2      ILE  28 -12.577   0.470  -1.586
  238   HG23  ILE  28          3HG2      ILE  28 -13.375   1.616  -0.514
  239   HD11  ILE  28          3HD1      ILE  28 -13.928  -0.710  -2.563
  240   HD12  ILE  28          1HD1      ILE  28 -13.952  -0.113  -4.224
  241   HD13  ILE  28          2HD1      ILE  28 -15.419  -0.768  -3.504
  242    H    SER  29           H        SER  29 -12.903   4.083  -0.186
  243    HA   SER  29           HA       SER  29 -10.637   5.587  -1.423
  244    HB2  SER  29           2HB      SER  29 -12.288   7.201  -0.515
  245    HB3  SER  29           1HB      SER  29 -12.198   6.404   1.053
  246    HG   SER  29           HG       SER  29 -10.251   7.222   1.367
  247    H    TYR  30           H        TYR  30  -8.784   5.732  -0.010
  248    HA   TYR  30           HA       TYR  30  -8.617   3.778   2.192
  249    HB2  TYR  30           2HB      TYR  30  -6.614   2.734   1.201
  250    HB3  TYR  30           1HB      TYR  30  -8.033   2.494   0.184
  251    HD1  TYR  30           1HD      TYR  30  -4.831   4.339   0.515
  252    HD2  TYR  30           2HD      TYR  30  -8.263   3.644  -1.987
  253    HE1  TYR  30           1HE      TYR  30  -3.689   5.466  -1.372
  254    HE2  TYR  30           2HE      TYR  30  -7.115   4.768  -3.869
  255    HH   TYR  30           HH       TYR  30  -4.794   5.273  -4.574
  256    H    SER  31           H        SER  31  -6.812   4.075   3.526
  257    HA   SER  31           HA       SER  31  -5.133   6.483   3.120
  258    HB2  SER  31           2HB      SER  31  -6.829   6.009   5.593
  259    HB3  SER  31           1HB      SER  31  -5.661   7.310   5.370
  260    HG   SER  31           HG       SER  31  -7.090   7.573   3.310
  261    H    PHE  32           H        PHE  32  -3.508   6.622   4.927
  262    HA   PHE  32           HA       PHE  32  -2.740   4.032   6.127
  263    HB2  PHE  32           2HB      PHE  32  -0.409   4.323   5.177
  264    HB3  PHE  32           1HB      PHE  32  -1.633   3.918   3.974
  265    HD1  PHE  32           2HD      PHE  32   0.304   6.763   5.448
  266    HD2  PHE  32           1HD      PHE  32  -2.158   5.469   2.163
  267    HE1  PHE  32           2HE      PHE  32   0.853   8.835   4.213
  268    HE2  PHE  32           1HE      PHE  32  -1.607   7.543   0.939
  269    HZ   PHE  32           HZ       PHE  32  -0.102   9.228   1.961
  270    H    ASP  33           H        ASP  33  -1.394   4.251   7.897
  271    HA   ASP  33           HA       ASP  33  -1.498   6.772   9.302
  272    HB2  ASP  33           2HB      ASP  33  -0.061   4.190   9.974
  273    HB3  ASP  33           1HB      ASP  33  -0.343   5.532  11.083
  274    H    ARG  34           H        ARG  34   0.955   4.975   7.517
  275    HA   ARG  34           HA       ARG  34   2.860   7.269   7.755
  276    HB2  ARG  34           2HB      ARG  34   3.552   4.312   7.912
  277    HB3  ARG  34           1HB      ARG  34   4.706   5.649   7.923
  278    HG2  ARG  34           2HG      ARG  34   3.680   6.516  10.003
  279    HG3  ARG  34           1HG      ARG  34   2.541   5.169   9.999
  280    HD2  ARG  34           2HD      ARG  34   5.561   4.865  10.118
  281    HD3  ARG  34           1HD      ARG  34   4.484   4.769  11.508
  282    HE   ARG  34           HE       ARG  34   3.565   2.945   9.573
  283   HH11  ARG  34          1HH2      ARG  34   6.288   3.479  11.668
  284   HH12  ARG  34          2HH2      ARG  34   6.665   1.796  11.824
  285   HH21  ARG  34          1HH1      ARG  34   4.070   0.746   9.782
  286   HH22  ARG  34          2HH1      ARG  34   5.412   0.254  10.758
  287    H    GLY  35           H        GLY  35   2.132   4.242   6.019
  288    HA2  GLY  35           2HA      GLY  35   2.272   3.702   3.787
  289    HA3  GLY  35           1HA      GLY  35   2.045   5.418   3.469
  290    H    HIS  36           H        HIS  36   4.751   4.541   5.425
  291    HA   HIS  36           HA       HIS  36   6.662   4.491   3.165
  292    HB2  HIS  36           2HB      HIS  36   6.747   6.446   5.497
  293    HB3  HIS  36           1HB      HIS  36   8.079   6.178   4.368
  294    HD2  HIS  36           2HD      HIS  36   7.977   7.850   2.222
  295    HE1  HIS  36           1HE      HIS  36   3.858   8.767   2.330
  296    HE2  HIS  36           2HE      HIS  36   6.043   9.215   1.114
  297    H    VAL  37           H        VAL  37   8.345   3.184   3.559
  298    HA   VAL  37           HA       VAL  37   8.854   2.164   6.308
  299    HB   VAL  37           HB       VAL  37   7.506   0.478   5.201
  300   HG11  VAL  37          1HG1      VAL  37   7.894   1.201   2.857
  301   HG12  VAL  37          2HG1      VAL  37   8.169  -0.529   3.054
  302   HG13  VAL  37          3HG1      VAL  37   9.538   0.571   2.951
  303   HG21  VAL  37          3HG2      VAL  37  10.379  -0.499   4.990
  304   HG22  VAL  37          1HG2      VAL  37   8.955  -1.410   5.470
  305   HG23  VAL  37          2HG2      VAL  37   9.608  -0.189   6.547
  306    H    THR  38           H        THR  38  10.944   1.185   6.492
  307    HA   THR  38           HA       THR  38  12.981   2.599   4.853
  308    HB   THR  38           HB       THR  38  13.297   1.189   7.543
  309    HG1  THR  38           1HG      THR  38  11.890   3.174   7.307
  310   HG21  THR  38          3HG2      THR  38  15.397   1.447   6.273
  311   HG22  THR  38          1HG2      THR  38  15.370   2.540   7.656
  312   HG23  THR  38          2HG2      THR  38  15.048   3.160   6.039
  313    H    ILE  39           H        ILE  39  14.367   1.477   3.631
  314    HA   ILE  39           HA       ILE  39  14.382  -1.509   3.719
  315    HB   ILE  39           HB       ILE  39  14.790  -1.419   1.284
  316   HG12  ILE  39          2HG1      ILE  39  14.215   1.561   1.530
  317   HG13  ILE  39          1HG1      ILE  39  15.818   0.907   1.247
  318   HG21  ILE  39          1HG2      ILE  39  12.501  -0.835   0.634
  319   HG22  ILE  39          2HG2      ILE  39  12.302   0.142   2.090
  320   HG23  ILE  39          3HG2      ILE  39  12.460  -1.602   2.214
  321   HD11  ILE  39          3HD1      ILE  39  14.871   1.605  -0.858
  322   HD12  ILE  39          1HD1      ILE  39  13.420   0.653  -0.567
  323   HD13  ILE  39          2HD1      ILE  39  14.960  -0.158  -0.841
  324    H    VAL  40           H        VAL  40  16.346  -2.511   3.379
  325    HA   VAL  40           HA       VAL  40  18.797  -0.797   3.414
  326    HB   VAL  40           HB       VAL  40  18.311  -3.233   5.173
  327   HG11  VAL  40          1HG1      VAL  40  20.463  -2.524   6.228
  328   HG12  VAL  40          2HG1      VAL  40  20.630  -1.270   4.999
  329   HG13  VAL  40          3HG1      VAL  40  20.680  -2.970   4.539
  330   HG21  VAL  40          3HG2      VAL  40  18.333  -1.586   7.034
  331   HG22  VAL  40          1HG2      VAL  40  16.987  -1.304   5.933
  332   HG23  VAL  40          2HG2      VAL  40  18.416  -0.272   5.861
  333    H    GLY  41           H        GLY  41  20.354  -1.467   2.092
  334    HA2  GLY  41           2HA      GLY  41  21.116  -4.023   1.375
  335    HA3  GLY  41           1HA      GLY  41  19.846  -3.615   0.225
  336    H    SER  42           H        SER  42  21.508  -3.782  -1.396
  337    HA   SER  42           HA       SER  42  23.740  -1.955  -1.480
  338    HB2  SER  42           2HB      SER  42  22.438  -3.572  -3.690
  339    HB3  SER  42           1HB      SER  42  24.003  -2.765  -3.789
  340    HG   SER  42           HG       SER  42  23.212  -4.971  -2.212
  341    H    GLN  43           H        GLN  43  23.979  -0.138  -2.867
  342    HA   GLN  43           HA       GLN  43  21.735   1.581  -3.000
  343    HB2  GLN  43           2HB      GLN  43  24.104   2.354  -2.824
  344    HB3  GLN  43           1HB      GLN  43  24.385   1.796  -4.470
  345    HG2  GLN  43           2HG      GLN  43  23.959   4.206  -4.485
  346    HG3  GLN  43           1HG      GLN  43  22.625   3.389  -5.282
  347   HE21  GLN  43          1HE2      GLN  43  20.567   3.985  -4.539
  348   HE22  GLN  43          2HE2      GLN  43  20.257   4.717  -3.039
  349    H    GLU  44           H        GLU  44  23.260  -0.562  -5.346
  350    HA   GLU  44           HA       GLU  44  22.043   0.389  -7.694
  351    HB2  GLU  44           2HB      GLU  44  22.872  -2.444  -6.975
  352    HB3  GLU  44           1HB      GLU  44  22.509  -1.877  -8.606
  353    HG2  GLU  44           2HG      GLU  44  24.337  -0.227  -8.449
  354    HG3  GLU  44           1HG      GLU  44  24.704  -0.780  -6.816
  355    H    ALA  45           H        ALA  45  20.951  -2.059  -5.359
  356    HA   ALA  45           HA       ALA  45  18.597  -2.815  -6.747
  357    HB1  ALA  45           1HB      ALA  45  19.154  -2.890  -3.764
  358    HB2  ALA  45           2HB      ALA  45  19.628  -4.135  -4.920
  359    HB3  ALA  45           3HB      ALA  45  17.921  -3.815  -4.625
  360    H    MET  46           H        MET  46  19.250  -0.328  -4.309
  361    HA   MET  46           HA       MET  46  16.555   0.489  -3.892
  362    HB2  MET  46           2HB      MET  46  19.190   1.963  -3.536
  363    HB3  MET  46           1HB      MET  46  17.636   2.606  -3.002
  364    HG2  MET  46           2HG      MET  46  17.312   0.647  -1.545
  365    HG3  MET  46           1HG      MET  46  18.855  -0.017  -2.080
  366    HE1  MET  46           3HE      MET  46  19.855  -0.276   0.141
  367    HE2  MET  46           1HE      MET  46  18.368   0.258   0.934
  368    HE3  MET  46           2HE      MET  46  19.922   0.932   1.421
  369    H    ASP  47           H        ASP  47  19.071   1.579  -6.163
  370    HA   ASP  47           HA       ASP  47  17.645   3.787  -7.229
  371    HB2  ASP  47           2HB      ASP  47  19.797   2.032  -8.458
  372    HB3  ASP  47           1HB      ASP  47  19.252   3.564  -9.139
  373    H    LYS  48           H        LYS  48  17.398   0.349  -7.739
  374    HA   LYS  48           HA       LYS  48  16.036   0.528 -10.301
  375    HB2  LYS  48           2HB      LYS  48  17.461  -1.421  -9.648
  376    HB3  LYS  48           1HB      LYS  48  16.297  -1.807  -8.380
  377    HG2  LYS  48           2HG      LYS  48  14.531  -2.188 -10.040
  378    HG3  LYS  48           1HG      LYS  48  15.584  -1.627 -11.338
  379    HD2  LYS  48           2HD      LYS  48  15.512  -4.066 -11.355
  380    HD3  LYS  48           1HD      LYS  48  17.125  -3.534 -10.891
  381    HE2  LYS  48           2HE      LYS  48  16.750  -4.128  -8.585
  382    HE3  LYS  48           1HE      LYS  48  15.004  -4.273  -8.834
  383    HZ1  LYS  48           3HZ      LYS  48  16.605  -6.349  -8.838
  384    HZ2  LYS  48           1HZ      LYS  48  16.754  -5.936 -10.477
  385    HZ3  LYS  48           2HZ      LYS  48  15.224  -6.278  -9.824
  386    H    ILE  49           H        ILE  49  15.187   0.201  -6.890
  387    HA   ILE  49           HA       ILE  49  12.310  -0.103  -7.480
  388    HB   ILE  49           HB       ILE  49  13.743   0.072  -4.787
  389   HG12  ILE  49          2HG1      ILE  49  12.771  -2.429  -6.260
  390   HG13  ILE  49          1HG1      ILE  49  14.450  -1.909  -6.249
  391   HG21  ILE  49          1HG2      ILE  49  11.330   0.594  -4.665
  392   HG22  ILE  49          2HG2      ILE  49  11.627  -0.985  -3.952
  393   HG23  ILE  49          3HG2      ILE  49  10.954  -0.868  -5.575
  394   HD11  ILE  49          3HD1      ILE  49  14.491  -2.062  -3.778
  395   HD12  ILE  49          1HD1      ILE  49  14.085  -3.608  -4.521
  396   HD13  ILE  49          2HD1      ILE  49  12.819  -2.625  -3.788
  397    H    ASP  50           H        ASP  50  11.167   1.683  -7.863
  398    HA   ASP  50           HA       ASP  50  12.002   4.320  -6.781
  399    HB2  ASP  50           2HB      ASP  50   9.968   3.588  -8.910
  400    HB3  ASP  50           1HB      ASP  50  10.450   5.222  -8.459
  401    H    SER  51           H        SER  51   9.586   1.859  -6.550
  402    HA   SER  51           HA       SER  51   8.437   2.932  -4.165
  403    HB2  SER  51           2HB      SER  51   6.192   3.437  -5.022
  404    HB3  SER  51           1HB      SER  51   7.375   4.469  -5.813
  405    HG   SER  51           HG       SER  51   7.158   3.346  -7.641
  406    H    ILE  52           H        ILE  52   6.638   1.573  -3.388
  407    HA   ILE  52           HA       ILE  52   6.783  -1.222  -4.439
  408    HB   ILE  52           HB       ILE  52   5.884  -0.234  -1.700
  409   HG12  ILE  52          2HG1      ILE  52   8.242   0.323  -1.941
  410   HG13  ILE  52          1HG1      ILE  52   8.107  -1.085  -0.898
  411   HG21  ILE  52          1HG2      ILE  52   4.960  -2.422  -2.308
  412   HG22  ILE  52          2HG2      ILE  52   6.206  -2.630  -1.079
  413   HG23  ILE  52          3HG2      ILE  52   6.564  -3.004  -2.764
  414   HD11  ILE  52          3HD1      ILE  52   9.886  -1.629  -2.332
  415   HD12  ILE  52          1HD1      ILE  52   9.102  -0.922  -3.739
  416   HD13  ILE  52          2HD1      ILE  52   8.534  -2.464  -3.097
  417    H    THR  53           H        THR  53   5.059  -1.855  -5.547
  418    HA   THR  53           HA       THR  53   2.532  -0.380  -5.453
  419    HB   THR  53           HB       THR  53   3.277  -2.887  -7.015
  420    HG1  THR  53           1HG      THR  53   4.226  -0.451  -7.218
  421   HG21  THR  53          3HG2      THR  53   1.107  -0.799  -7.421
  422   HG22  THR  53          1HG2      THR  53   0.847  -2.460  -6.886
  423   HG23  THR  53          2HG2      THR  53   1.452  -2.142  -8.510
  424    H    VAL  54           H        VAL  54   0.786  -1.037  -4.215
  425    HA   VAL  54           HA       VAL  54   0.834  -3.776  -3.039
  426    HB   VAL  54           HB       VAL  54  -0.203  -1.231  -1.750
  427   HG11  VAL  54          1HG1      VAL  54   0.197  -4.057  -0.692
  428   HG12  VAL  54          2HG1      VAL  54  -1.353  -3.281  -1.016
  429   HG13  VAL  54          3HG1      VAL  54  -0.321  -2.671   0.271
  430   HG21  VAL  54          3HG2      VAL  54   2.253  -1.177  -1.925
  431   HG22  VAL  54          1HG2      VAL  54   2.346  -2.802  -1.257
  432   HG23  VAL  54          2HG2      VAL  54   1.769  -1.464  -0.261
  433    HA   PRO  55           HA       PRO  55  -3.137  -3.133  -5.360
  434    HB2  PRO  55           2HB      PRO  55  -3.371  -5.561  -6.579
  435    HB3  PRO  55           1HB      PRO  55  -2.240  -4.329  -7.185
  436    HG2  PRO  55           2HG      PRO  55  -1.659  -6.742  -5.485
  437    HG3  PRO  55           1HG      PRO  55  -0.744  -6.098  -6.866
  438    HD2  PRO  55           2HD      PRO  55  -0.083  -5.612  -4.197
  439    HD3  PRO  55           1HD      PRO  55   0.399  -4.541  -5.532
  440    H    VAL  56           H        VAL  56  -5.203  -3.679  -4.748
  441    HA   VAL  56           HA       VAL  56  -5.631  -5.871  -2.786
  442    HB   VAL  56           HB       VAL  56  -5.227  -3.755  -1.503
  443   HG11  VAL  56          1HG1      VAL  56  -6.737  -1.864  -1.678
  444   HG12  VAL  56          2HG1      VAL  56  -7.758  -2.704  -2.844
  445   HG13  VAL  56          3HG1      VAL  56  -6.129  -2.205  -3.298
  446   HG21  VAL  56          3HG2      VAL  56  -8.149  -4.644  -1.415
  447   HG22  VAL  56          1HG2      VAL  56  -7.231  -3.915  -0.101
  448   HG23  VAL  56          2HG2      VAL  56  -6.819  -5.531  -0.669
  449    H    ASP  57           H        ASP  57  -7.513  -6.885  -3.011
  450    HA   ASP  57           HA       ASP  57  -9.160  -6.345  -5.347
  451    HB2  ASP  57           2HB      ASP  57  -9.428  -8.414  -3.142
  452    HB3  ASP  57           1HB      ASP  57 -10.386  -8.375  -4.619
  453    H    ILE  58           H        ILE  58 -10.933  -5.086  -5.354
  454    HA   ILE  58           HA       ILE  58 -12.137  -4.220  -2.782
  455    HB   ILE  58           HB       ILE  58 -13.102  -2.384  -4.161
  456   HG12  ILE  58          2HG1      ILE  58 -11.312  -3.458  -6.389
  457   HG13  ILE  58          1HG1      ILE  58 -13.055  -3.683  -6.362
  458   HG21  ILE  58          1HG2      ILE  58 -10.987  -1.158  -4.466
  459   HG22  ILE  58          2HG2      ILE  58 -10.084  -2.671  -4.402
  460   HG23  ILE  58          3HG2      ILE  58 -10.938  -2.091  -2.973
  461   HD11  ILE  58          3HD1      ILE  58 -11.622  -1.012  -6.432
  462   HD12  ILE  58          1HD1      ILE  58 -13.368  -1.232  -6.327
  463   HD13  ILE  58          2HD1      ILE  58 -12.498  -1.771  -7.760
  464    H    SER  59           H        SER  59 -12.631  -6.343  -5.354
  465    HA   SER  59           HA       SER  59 -15.397  -6.137  -5.810
  466    HB2  SER  59           2HB      SER  59 -13.652  -8.614  -5.928
  467    HB3  SER  59           1HB      SER  59 -15.231  -8.426  -6.688
  468    HG   SER  59           HG       SER  59 -13.171  -7.974  -7.935
  469    H    GLN  60           H        GLN  60 -13.580  -7.960  -3.368
  470    HA   GLN  60           HA       GLN  60 -15.985  -9.158  -2.199
  471    HB2  GLN  60           2HB      GLN  60 -13.065  -9.222  -1.367
  472    HB3  GLN  60           1HB      GLN  60 -14.354 -10.164  -0.615
  473    HG2  GLN  60           2HG      GLN  60 -14.805 -11.271  -2.781
  474    HG3  GLN  60           1HG      GLN  60 -13.512 -10.338  -3.528
  475   HE21  GLN  60          1HE2      GLN  60 -12.858 -12.803  -3.893
  476   HE22  GLN  60          2HE2      GLN  60 -11.825 -13.454  -2.714
  477    H    VAL  61           H        VAL  61 -14.493  -6.162  -2.016
  478    HA   VAL  61           HA       VAL  61 -15.000  -5.707   0.859
  479    HB   VAL  61           HB       VAL  61 -13.944  -3.803  -1.266
  480   HG11  VAL  61          1HG1      VAL  61 -14.885  -2.627   0.671
  481   HG12  VAL  61          2HG1      VAL  61 -13.131  -2.516   0.718
  482   HG13  VAL  61          3HG1      VAL  61 -13.973  -3.656   1.769
  483   HG21  VAL  61          3HG2      VAL  61 -12.450  -5.769  -0.921
  484   HG22  VAL  61          1HG2      VAL  61 -12.451  -5.450   0.812
  485   HG23  VAL  61          2HG2      VAL  61 -11.723  -4.289  -0.299
  486    H    THR  62           H        THR  62 -17.035  -5.262   1.408
  487    HA   THR  62           HA       THR  62 -18.662  -3.383  -0.245
  488    HB   THR  62           HB       THR  62 -20.634  -4.745   0.217
  489    HG1  THR  62           1HG      THR  62 -18.917  -6.696   1.315
  490   HG21  THR  62          3HG2      THR  62 -18.371  -6.461  -0.861
  491   HG22  THR  62          1HG2      THR  62 -19.286  -5.284  -1.806
  492   HG23  THR  62          2HG2      THR  62 -20.092  -6.708  -1.153
  493    H    GLU  63           H        GLU  63 -17.125  -3.925   2.615
  494    HA   GLU  63           HA       GLU  63 -18.833  -1.983   4.058
  495    HB2  GLU  63           2HB      GLU  63 -17.963  -4.646   5.240
  496    HB3  GLU  63           1HB      GLU  63 -18.754  -3.338   6.121
  497    HG2  GLU  63           2HG      GLU  63 -20.712  -3.524   4.569
  498    HG3  GLU  63           1HG      GLU  63 -19.936  -4.904   3.803
  499    H    ASP  64           H        ASP  64 -17.756  -0.914   5.778
  500    HA   ASP  64           HA       ASP  64 -15.052  -0.265   5.234
  501    HB2  ASP  64           2HB      ASP  64 -16.642   1.279   6.339
  502    HB3  ASP  64           1HB      ASP  64 -16.652   0.247   7.765
  503    H    THR  65           H        THR  65 -13.201  -1.088   5.971
  504    HA   THR  65           HA       THR  65 -12.905  -2.546   8.425
  505    HB   THR  65           HB       THR  65 -14.008  -4.326   7.170
  506    HG1  THR  65           1HG      THR  65 -12.033  -5.750   7.030
  507   HG21  THR  65          3HG2      THR  65 -13.466  -3.489   4.881
  508   HG22  THR  65          1HG2      THR  65 -13.080  -5.197   5.078
  509   HG23  THR  65          2HG2      THR  65 -11.793  -3.995   5.116
  510    H    SER  66           H        SER  66 -10.685  -3.892   8.136
  511    HA   SER  66           HA       SER  66  -8.698  -2.420   6.547
  512    HB2  SER  66           2HB      SER  66  -7.325  -1.834   8.484
  513    HB3  SER  66           1HB      SER  66  -8.918  -1.094   8.644
  514    HG   SER  66           HG       SER  66  -8.924  -2.085  10.497
  515    H    LYS  67           H        LYS  67  -6.825  -3.549   6.245
  516    HA   LYS  67           HA       LYS  67  -6.520  -6.224   7.538
  517    HB2  LYS  67           2HB      LYS  67  -6.492  -5.711   4.545
  518    HB3  LYS  67           1HB      LYS  67  -6.073  -7.239   5.322
  519    HG2  LYS  67           2HG      LYS  67  -8.380  -7.304   6.331
  520    HG3  LYS  67           1HG      LYS  67  -8.790  -5.863   5.404
  521    HD2  LYS  67           2HD      LYS  67  -7.913  -8.526   4.228
  522    HD3  LYS  67           1HD      LYS  67  -9.570  -7.926   4.279
  523    HE2  LYS  67           2HE      LYS  67  -8.925  -7.315   2.093
  524    HE3  LYS  67           1HE      LYS  67  -8.521  -5.836   2.967
  525    HZ1  LYS  67           3HZ      LYS  67  -6.450  -6.117   2.283
  526    HZ2  LYS  67           1HZ      LYS  67  -6.819  -7.615   1.582
  527    HZ3  LYS  67           2HZ      LYS  67  -6.338  -7.536   3.210
  528    H    THR  68           H        THR  68  -4.442  -6.908   7.756
  529    HA   THR  68           HA       THR  68  -2.346  -4.892   7.453
  530    HB   THR  68           HB       THR  68  -2.162  -7.745   8.508
  531    HG1  THR  68           1HG      THR  68  -2.047  -5.835  10.362
  532   HG21  THR  68          3HG2      THR  68  -0.153  -6.838   9.677
  533   HG22  THR  68          1HG2      THR  68  -0.346  -5.320   8.804
  534   HG23  THR  68          2HG2      THR  68   0.033  -6.803   7.926
  535    H    LEU  69           H        LEU  69  -0.866  -4.857   5.872
  536    HA   LEU  69           HA       LEU  69  -0.695  -7.122   3.926
  537    HB2  LEU  69           2HB      LEU  69  -0.363  -4.143   3.403
  538    HB3  LEU  69           1HB      LEU  69  -0.330  -5.434   2.202
  539    HG   LEU  69           HG       LEU  69  -2.744  -4.707   3.922
  540   HD11  LEU  69          1HD1      LEU  69  -2.231  -4.259   0.970
  541   HD12  LEU  69          2HD1      LEU  69  -2.188  -2.996   2.197
  542   HD13  LEU  69          3HD1      LEU  69  -3.701  -3.829   1.836
  543   HD21  LEU  69          3HD2      LEU  69  -2.295  -6.846   1.798
  544   HD22  LEU  69          1HD2      LEU  69  -3.913  -6.215   2.126
  545   HD23  LEU  69          2HD2      LEU  69  -3.012  -7.015   3.401
  546    H    GLU  70           H        GLU  70   1.226  -7.973   3.662
  547    HA   GLU  70           HA       GLU  70   3.594  -6.758   4.960
  548    HB2  GLU  70           2HB      GLU  70   4.599  -9.015   4.608
  549    HB3  GLU  70           1HB      GLU  70   3.125  -9.068   5.571
  550    HG2  GLU  70           2HG      GLU  70   1.836  -9.724   3.558
  551    HG3  GLU  70           1HG      GLU  70   3.312  -9.698   2.603
  552    H    LEU  71           H        LEU  71   5.316  -6.081   3.828
  553    HA   LEU  71           HA       LEU  71   5.183  -6.114   0.837
  554    HB2  LEU  71           2HB      LEU  71   6.692  -4.206   2.664
  555    HB3  LEU  71           1HB      LEU  71   6.431  -4.043   0.926
  556    HG   LEU  71           HG       LEU  71   4.272  -3.951   3.077
  557   HD11  LEU  71          1HD1      LEU  71   5.401  -1.783   1.281
  558   HD12  LEU  71          2HD1      LEU  71   5.718  -1.948   3.009
  559   HD13  LEU  71          3HD1      LEU  71   4.090  -1.585   2.444
  560   HD21  LEU  71          3HD2      LEU  71   3.221  -4.858   1.121
  561   HD22  LEU  71          1HD2      LEU  71   4.122  -3.787   0.042
  562   HD23  LEU  71          2HD2      LEU  71   2.848  -3.149   1.089
  563    H    LYS  72           H        LYS  72   6.805  -6.943  -0.292
  564    HA   LYS  72           HA       LYS  72   9.373  -7.610   1.036
  565    HB2  LYS  72           2HB      LYS  72   7.817  -9.604   1.146
  566    HB3  LYS  72           1HB      LYS  72   7.782  -9.621  -0.615
  567    HG2  LYS  72           2HG      LYS  72  10.230  -9.932  -0.674
  568    HG3  LYS  72           1HG      LYS  72  10.290  -9.873   1.088
  569    HD2  LYS  72           2HD      LYS  72   8.841 -11.882   1.196
  570    HD3  LYS  72           1HD      LYS  72   8.809 -11.945  -0.567
  571    HE2  LYS  72           2HE      LYS  72  11.259 -12.227  -0.611
  572    HE3  LYS  72           1HE      LYS  72  11.307 -12.145   1.152
  573    HZ1  LYS  72           3HZ      LYS  72  10.607 -14.238   1.339
  574    HZ2  LYS  72           1HZ      LYS  72  11.042 -14.408  -0.292
  575    HZ3  LYS  72           2HZ      LYS  72   9.430 -14.070   0.125
  576    H    ALA  73           H        ALA  73  11.106  -7.702  -0.336
  577    HA   ALA  73           HA       ALA  73  10.765  -7.272  -3.227
  578    HB1  ALA  73           1HB      ALA  73  12.172  -5.252  -3.183
  579    HB2  ALA  73           2HB      ALA  73  12.216  -5.311  -1.420
  580    HB3  ALA  73           3HB      ALA  73  10.693  -5.005  -2.253
  581    H    GLU  74           H        GLU  74  12.434  -8.166  -4.351
  582    HA   GLU  74           HA       GLU  74  14.450  -9.680  -2.856
  583    HB2  GLU  74           2HB      GLU  74  13.813  -9.477  -5.819
  584    HB3  GLU  74           1HB      GLU  74  15.006 -10.574  -5.123
  585    HG2  GLU  74           2HG      GLU  74  13.249 -11.639  -3.764
  586    HG3  GLU  74           1HG      GLU  74  12.048 -10.539  -4.435
  587    H    GLY  75           H        GLY  75  16.263  -8.738  -2.262
  588    HA2  GLY  75           2HA      GLY  75  18.465  -8.013  -3.217
  589    HA3  GLY  75           1HA      GLY  75  17.604  -6.736  -4.064
  590    H    VAL  76           H        VAL  76  15.850  -6.558  -1.526
  591    HA   VAL  76           HA       VAL  76  17.754  -5.139   0.280
  592    HB   VAL  76           HB       VAL  76  16.174  -3.271   0.452
  593   HG11  VAL  76          1HG1      VAL  76  17.970  -3.162  -1.248
  594   HG12  VAL  76          2HG1      VAL  76  16.536  -2.291  -1.778
  595   HG13  VAL  76          3HG1      VAL  76  16.888  -3.890  -2.430
  596   HG21  VAL  76          3HG2      VAL  76  14.054  -4.422  -0.057
  597   HG22  VAL  76          1HG2      VAL  76  14.608  -4.758  -1.700
  598   HG23  VAL  76          2HG2      VAL  76  14.277  -3.099  -1.195
  599    H    THR  77           H        THR  77  16.888  -4.789   2.414
  600    HA   THR  77           HA       THR  77  15.024  -6.951   3.270
  601    HB   THR  77           HB       THR  77  16.945  -5.283   4.961
  602    HG1  THR  77           1HG      THR  77  18.276  -6.470   3.794
  603   HG21  THR  77          3HG2      THR  77  15.084  -6.297   6.220
  604   HG22  THR  77          1HG2      THR  77  16.602  -7.108   6.597
  605   HG23  THR  77          2HG2      THR  77  15.446  -7.870   5.507
  606    H    VAL  78           H        VAL  78  12.997  -6.177   3.369
  607    HA   VAL  78           HA       VAL  78  12.473  -3.342   3.994
  608    HB   VAL  78           HB       VAL  78  10.440  -5.552   3.415
  609   HG11  VAL  78          1HG1      VAL  78   9.575  -3.431   4.337
  610   HG12  VAL  78          2HG1      VAL  78   9.063  -3.651   2.670
  611   HG13  VAL  78          3HG1      VAL  78  10.365  -2.533   3.050
  612   HG21  VAL  78          3HG2      VAL  78  12.012  -5.570   1.551
  613   HG22  VAL  78          1HG2      VAL  78  11.955  -3.815   1.431
  614   HG23  VAL  78          2HG2      VAL  78  10.529  -4.768   1.037
  615    H    GLN  79           H        GLN  79  11.876  -2.701   6.034
  616    HA   GLN  79           HA       GLN  79  10.466  -4.546   7.760
  617    HB2  GLN  79           2HB      GLN  79  12.144  -4.285   9.653
  618    HB3  GLN  79           1HB      GLN  79  12.655  -5.316   8.316
  619    HG2  GLN  79           2HG      GLN  79  13.929  -3.449   7.337
  620    HG3  GLN  79           1HG      GLN  79  13.412  -2.398   8.655
  621   HE21  GLN  79          1HE2      GLN  79  15.818  -2.210   9.123
  622   HE22  GLN  79          2HE2      GLN  79  16.561  -3.435  10.032
  623    HA   PRO  80           HA       PRO  80   9.564  -4.461   9.997
  624    HB2  PRO  80           2HB      PRO  80   7.044  -3.771  10.834
  625    HB3  PRO  80           1HB      PRO  80   8.505  -3.269  11.718
  626    HG2  PRO  80           2HG      PRO  80   6.898  -1.689   9.718
  627    HG3  PRO  80           1HG      PRO  80   7.499  -1.188  11.315
  628    HD2  PRO  80           2HD      PRO  80   8.846  -0.522   9.028
  629    HD3  PRO  80           1HD      PRO  80   9.717  -0.886  10.535
  630    H    SER  81           H        SER  81   8.450  -2.682   7.358
  631    HA   SER  81           HA       SER  81   7.356  -3.223   5.419
  632    HB2  SER  81           2HB      SER  81   7.899  -5.314   4.532
  633    HB3  SER  81           1HB      SER  81   9.043  -5.251   5.863
  634    HG   SER  81           HG       SER  81   8.057  -7.128   6.196
  635    H    THR  82           H        THR  82   5.865  -3.078   8.013
  636    HA   THR  82           HA       THR  82   3.332  -4.348   7.091
  637    HB   THR  82           HB       THR  82   2.826  -4.716   9.532
  638    HG1  THR  82           1HG      THR  82   4.156  -3.919  10.926
  639   HG21  THR  82          3HG2      THR  82   3.674  -6.572   8.159
  640   HG22  THR  82          1HG2      THR  82   4.312  -6.677   9.799
  641   HG23  THR  82          2HG2      THR  82   5.324  -6.081   8.492
  642    H    VAL  83           H        VAL  83   1.622  -3.064   7.219
  643    HA   VAL  83           HA       VAL  83   1.605  -0.572   8.766
  644    HB   VAL  83           HB       VAL  83   1.008   0.793   6.730
  645   HG11  VAL  83          1HG1      VAL  83   3.789  -0.437   6.427
  646   HG12  VAL  83          2HG1      VAL  83   3.386   0.715   7.701
  647   HG13  VAL  83          3HG1      VAL  83   3.279   1.197   6.010
  648   HG21  VAL  83          3HG2      VAL  83   1.993  -1.676   5.241
  649   HG22  VAL  83          1HG2      VAL  83   1.624  -0.121   4.497
  650   HG23  VAL  83          2HG2      VAL  83   0.339  -1.064   5.242
  651    H    LYS  84           H        LYS  84  -0.511   0.274   8.989
  652    HA   LYS  84           HA       LYS  84  -2.641  -1.716   8.493
  653    HB2  LYS  84           2HB      LYS  84  -2.287  -0.781  10.800
  654    HB3  LYS  84           1HB      LYS  84  -2.688   0.822  10.185
  655    HG2  LYS  84           2HG      LYS  84  -4.921   0.013   9.502
  656    HG3  LYS  84           1HG      LYS  84  -4.517  -1.609  10.063
  657    HD2  LYS  84           2HD      LYS  84  -4.226  -0.721  12.365
  658    HD3  LYS  84           1HD      LYS  84  -4.667   0.886  11.788
  659    HE2  LYS  84           2HE      LYS  84  -6.875   0.041  11.093
  660    HE3  LYS  84           1HE      LYS  84  -6.438  -1.575  11.646
  661    HZ1  LYS  84           3HZ      LYS  84  -7.534  -0.759  13.460
  662    HZ2  LYS  84           1HZ      LYS  84  -7.013   0.836  13.216
  663    HZ3  LYS  84           2HZ      LYS  84  -5.941  -0.319  13.850
  664    H    VAL  85           H        VAL  85  -4.229  -1.323   7.062
  665    HA   VAL  85           HA       VAL  85  -4.472   1.377   5.797
  666    HB   VAL  85           HB       VAL  85  -4.759  -1.324   4.430
  667   HG11  VAL  85          1HG1      VAL  85  -4.766   1.513   3.349
  668   HG12  VAL  85          2HG1      VAL  85  -6.159   0.440   3.437
  669   HG13  VAL  85          3HG1      VAL  85  -4.827   0.047   2.368
  670   HG21  VAL  85          3HG2      VAL  85  -2.404  -0.887   5.004
  671   HG22  VAL  85          1HG2      VAL  85  -2.515   0.723   4.287
  672   HG23  VAL  85          2HG2      VAL  85  -2.649  -0.710   3.268
  673    H    ASN  86           H        ASN  86  -6.433   2.204   5.963
  674    HA   ASN  86           HA       ASN  86  -8.728   0.472   6.761
  675    HB2  ASN  86           2HB      ASN  86  -8.338   3.481   6.972
  676    HB3  ASN  86           1HB      ASN  86  -9.745   2.578   7.534
  677   HD21  ASN  86          1HD2      ASN  86  -7.545   4.158   9.032
  678   HD22  ASN  86          2HD2      ASN  86  -7.007   3.070  10.218
  679    H    LEU  87           H        LEU  87 -10.190   0.062   5.244
  680    HA   LEU  87           HA       LEU  87 -10.333   1.723   2.772
  681    HB2  LEU  87           2HB      LEU  87 -11.341  -1.111   3.247
  682    HB3  LEU  87           1HB      LEU  87 -11.212  -0.268   1.703
  683    HG   LEU  87           HG       LEU  87  -8.864  -1.053   3.482
  684   HD11  LEU  87          1HD1      LEU  87  -9.843  -2.194   0.843
  685   HD12  LEU  87          2HD1      LEU  87  -9.943  -2.992   2.413
  686   HD13  LEU  87          3HD1      LEU  87  -8.369  -2.681   1.684
  687   HD21  LEU  87          3HD2      LEU  87  -8.225   0.917   2.248
  688   HD22  LEU  87          1HD2      LEU  87  -9.009   0.339   0.775
  689   HD23  LEU  87          2HD2      LEU  87  -7.540  -0.435   1.370
  690    H    LYS  88           H        LYS  88 -11.890   3.231   3.021
  691    HA   LYS  88           HA       LYS  88 -14.311   2.624   4.568
  692    HB2  LYS  88           2HB      LYS  88 -13.119   4.816   4.798
  693    HB3  LYS  88           1HB      LYS  88 -13.478   5.169   3.109
  694    HG2  LYS  88           2HG      LYS  88 -15.902   5.024   3.583
  695    HG3  LYS  88           1HG      LYS  88 -15.549   4.630   5.267
  696    HD2  LYS  88           2HD      LYS  88 -14.424   6.822   5.534
  697    HD3  LYS  88           1HD      LYS  88 -14.792   7.209   3.851
  698    HE2  LYS  88           2HE      LYS  88 -16.456   8.225   5.364
  699    HE3  LYS  88           1HE      LYS  88 -17.209   7.007   4.334
  700    HZ1  LYS  88           3HZ      LYS  88 -17.231   5.459   6.077
  701    HZ2  LYS  88           1HZ      LYS  88 -17.772   6.908   6.774
  702    HZ3  LYS  88           2HZ      LYS  88 -16.177   6.382   7.038
  703    H    VAL  89           H        VAL  89 -16.176   2.033   3.627
  704    HA   VAL  89           HA       VAL  89 -16.386   2.031   0.654
  705    HB   VAL  89           HB       VAL  89 -18.017   0.489   2.721
  706   HG11  VAL  89          1HG1      VAL  89 -19.170   0.798   0.561
  707   HG12  VAL  89          2HG1      VAL  89 -18.662  -0.878   0.746
  708   HG13  VAL  89          3HG1      VAL  89 -17.746   0.211  -0.295
  709   HG21  VAL  89          3HG2      VAL  89 -15.677  -0.230   2.815
  710   HG22  VAL  89          1HG2      VAL  89 -15.612  -0.353   1.057
  711   HG23  VAL  89          2HG2      VAL  89 -16.624  -1.462   1.986
  712    H    THR  90           H        THR  90 -17.848   3.327  -0.294
  713    HA   THR  90           HA       THR  90 -19.681   4.954   1.400
  714    HB   THR  90           HB       THR  90 -18.863   5.346  -1.511
  715    HG1  THR  90           1HG      THR  90 -17.120   6.141  -0.724
  716   HG21  THR  90          3HG2      THR  90 -20.985   6.452  -0.913
  717   HG22  THR  90          1HG2      THR  90 -19.705   7.644  -1.122
  718   HG23  THR  90          2HG2      THR  90 -20.217   7.179   0.498
  719    H    GLN  91           H        GLN  91 -21.744   4.308   1.475
  720    HA   GLN  91           HA       GLN  91 -22.797   2.311  -0.356
  721    HB2  GLN  91           2HB      GLN  91 -24.193   3.883   1.848
  722    HB3  GLN  91           1HB      GLN  91 -24.789   2.418   1.066
  723    HG2  GLN  91           2HG      GLN  91 -22.249   2.625   2.724
  724    HG3  GLN  91           1HG      GLN  91 -23.767   1.918   3.266
  725   HE21  GLN  91          1HE2      GLN  91 -20.779   1.095   2.001
  726   HE22  GLN  91          2HE2      GLN  91 -21.181  -0.401   1.309
  727    H    LYS  92           H        LYS  92 -24.037   2.691  -2.106
  728    HA   LYS  92           HA       LYS  92 -24.290   5.338  -3.143
  729    HB2  LYS  92           2HB      LYS  92 -24.034   3.298  -4.567
  730    HB3  LYS  92           1HB      LYS  92 -25.647   2.778  -4.085
  731    HG2  LYS  92           2HG      LYS  92 -26.620   4.832  -5.063
  732    HG3  LYS  92           1HG      LYS  92 -25.005   5.394  -5.499
  733    HD2  LYS  92           2HD      LYS  92 -24.727   3.418  -6.967
  734    HD3  LYS  92           1HD      LYS  92 -26.346   2.873  -6.530
  735    HE2  LYS  92           2HE      LYS  92 -26.374   4.083  -8.687
  736    HE3  LYS  92           1HE      LYS  92 -27.305   4.951  -7.466
  737    HZ1  LYS  92           3HZ      LYS  92 -25.823   6.419  -8.712
  738    HZ2  LYS  92           1HZ      LYS  92 -24.480   5.523  -8.191
  739    HZ3  LYS  92           2HZ      LYS  92 -25.419   6.379  -7.062
  740    H    LEU  93           H        LEU  93 -26.023   6.708  -3.108
  741    HA   LEU  93           HA       LEU  93 -28.648   5.762  -2.253
  742    HB2  LEU  93           2HB      LEU  93 -27.159   6.381  -0.167
  743    HB3  LEU  93           1HB      LEU  93 -27.396   8.047  -0.678
  744    HG   LEU  93           HG       LEU  93 -30.011   7.307  -0.736
  745   HD11  LEU  93          1HD1      LEU  93 -30.560   5.667   0.984
  746   HD12  LEU  93          2HD1      LEU  93 -28.856   5.450   1.387
  747   HD13  LEU  93          3HD1      LEU  93 -29.468   4.909  -0.174
  748   HD21  LEU  93          3HD2      LEU  93 -28.503   7.896   1.838
  749   HD22  LEU  93          1HD2      LEU  93 -30.246   8.078   1.617
  750   HD23  LEU  93          2HD2      LEU  93 -29.131   9.094   0.705
  751    H    GLU  94           H        GLU  94 -30.151   6.779  -3.384
  752    HA   GLU  94           HA       GLU  94 -29.520   8.816  -5.283
  753    HB2  GLU  94           2HB      GLU  94 -32.202   7.823  -4.259
  754    HB3  GLU  94           1HB      GLU  94 -31.974   8.841  -5.682
  755    HG2  GLU  94           2HG      GLU  94 -30.586   7.081  -6.723
  756    HG3  GLU  94           1HG      GLU  94 -30.810   6.061  -5.305
  757    H    HIS  95           H        HIS  95 -30.514  10.949  -5.346
  758    HA   HIS  95           HA       HIS  95 -31.563  12.153  -2.928
  759    HB2  HIS  95           2HB      HIS  95 -29.700  13.764  -2.649
  760    HB3  HIS  95           1HB      HIS  95 -29.172  12.107  -2.359
  761    HD2  HIS  95           2HD      HIS  95 -28.053  10.963  -4.990
  762    HE1  HIS  95           1HE      HIS  95 -26.476  14.748  -5.991
  763    HE2  HIS  95           2HE      HIS  95 -26.396  12.267  -6.529
  764    H    HIS  96           H        HIS  96 -31.190  14.768  -3.420
  765    HA   HIS  96           HA       HIS  96 -32.965  15.304  -5.574
  766    HB2  HIS  96           2HB      HIS  96 -31.117  17.187  -4.065
  767    HB3  HIS  96           1HB      HIS  96 -32.481  17.673  -5.072
  768    HD2  HIS  96           2HD      HIS  96 -31.860  16.927  -1.425
  769    HE1  HIS  96           1HE      HIS  96 -35.961  16.113  -2.019
  770    HE2  HIS  96           2HE      HIS  96 -34.155  16.458  -0.268
  771    H    HIS  97           H        HIS  97 -32.586  15.813  -7.672
  772    HA   HIS  97           HA       HIS  97 -30.035  15.286  -8.838
  773    HB2  HIS  97           2HB      HIS  97 -32.199  14.929 -10.015
  774    HB3  HIS  97           1HB      HIS  97 -32.457  16.672 -10.055
  775    HD2  HIS  97           2HD      HIS  97 -31.348  17.870 -12.295
  776    HE1  HIS  97           1HE      HIS  97 -28.634  14.804 -13.329
  777    HE2  HIS  97           2HE      HIS  97 -29.555  17.069 -14.017
  778    H    HIS  98           H        HIS  98 -28.516  16.697  -9.689
  779    HA   HIS  98           HA       HIS  98 -28.151  19.193  -8.378
  780    HB2  HIS  98           2HB      HIS  98 -26.838  18.128 -10.904
  781    HB3  HIS  98           1HB      HIS  98 -26.244  19.462  -9.913
  782    HD2  HIS  98           2HD      HIS  98 -25.325  18.637  -7.273
  783    HE1  HIS  98           1HE      HIS  98 -25.092  14.545  -8.287
  784    HE2  HIS  98           2HE      HIS  98 -24.459  16.283  -6.547
  785    H    HIS  99           H        HIS  99 -29.026  21.130  -8.843
  786    HA   HIS  99           HA       HIS  99 -30.862  21.520 -10.974
  787    HB2  HIS  99           2HB      HIS  99 -30.937  22.782  -8.841
  788    HB3  HIS  99           1HB      HIS  99 -29.431  23.593  -9.269
  789    HD2  HIS  99           2HD      HIS  99 -29.842  25.920 -10.710
  790    HE1  HIS  99           1HE      HIS  99 -33.761  25.113 -12.055
  791    HE2  HIS  99           2HE      HIS  99 -31.893  26.831 -12.046
  792    H    HIS 100           H        HIS 100 -27.471  22.472 -10.505
  793    HA   HIS 100           HA       HIS 100 -27.172  24.027 -12.839
  794    HB2  HIS 100           2HB      HIS 100 -25.082  22.351 -11.408
  795    HB3  HIS 100           1HB      HIS 100 -24.760  23.674 -12.529
  796    HD2  HIS 100           2HD      HIS 100 -25.359  23.183  -8.782
  797    HE1  HIS 100           1HE      HIS 100 -25.971  27.293  -9.524
  798    HE2  HIS 100           2HE      HIS 100 -25.675  25.542  -7.709
  Start of MODEL    2
    1    H1   LYS   1           1HT      LYS   1  26.960   4.733   8.956
    2    H2   LYS   1           2HT      LYS   1  27.662   6.268   8.769
    3    H3   LYS   1           3HT      LYS   1  27.959   5.361  10.175
    4    HA   LYS   1           HA       LYS   1  28.667   4.169   7.605
    5    HB2  LYS   1           2HB      LYS   1  30.874   5.334   7.668
    6    HB3  LYS   1           1HB      LYS   1  29.534   6.442   7.370
    7    HG2  LYS   1           2HG      LYS   1  29.517   7.057   9.777
    8    HG3  LYS   1           1HG      LYS   1  30.885   5.981  10.060
    9    HD2  LYS   1           2HD      LYS   1  32.264   7.286   8.493
   10    HD3  LYS   1           1HD      LYS   1  30.902   8.359   8.169
   11    HE2  LYS   1           2HE      LYS   1  32.443   9.351   9.829
   12    HE3  LYS   1           1HE      LYS   1  30.858   9.039  10.538
   13    HZ1  LYS   1           2HZ      LYS   1  31.656   7.106  11.594
   14    HZ2  LYS   1           3HZ      LYS   1  32.818   8.309  11.894
   15    HZ3  LYS   1           1HZ      LYS   1  33.112   7.123  10.717
   16    H    ILE   2           H        ILE   2  28.990   4.729  11.030
   17    HA   ILE   2           HA       ILE   2  31.122   2.940  11.591
   18    HB   ILE   2           HB       ILE   2  28.796   3.743  13.386
   19   HG12  ILE   2          2HG1      ILE   2  31.561   5.024  13.135
   20   HG13  ILE   2          1HG1      ILE   2  30.109   5.685  12.391
   21   HG21  ILE   2          1HG2      ILE   2  30.048   1.817  14.284
   22   HG22  ILE   2          2HG2      ILE   2  30.444   3.243  15.224
   23   HG23  ILE   2          3HG2      ILE   2  31.575   2.652  14.009
   24   HD11  ILE   2          3HD1      ILE   2  30.512   6.820  14.508
   25   HD12  ILE   2          1HD1      ILE   2  30.551   5.278  15.363
   26   HD13  ILE   2          2HD1      ILE   2  29.048   5.847  14.637
   27    H    SER   3           H        SER   3  31.122   0.775  12.148
   28    HA   SER   3           HA       SER   3  30.481  -1.430  12.044
   29    HB2  SER   3           2HB      SER   3  29.118  -0.625  13.986
   30    HB3  SER   3           1HB      SER   3  27.771  -0.371  12.885
   31    HG   SER   3           HG       SER   3  28.199  -2.671  12.283
   32    H    LEU   4           H        LEU   4  30.690  -1.691   9.809
   33    HA   LEU   4           HA       LEU   4  30.028  -2.170   7.671
   34    HB2  LEU   4           2HB      LEU   4  27.320  -2.704   8.941
   35    HB3  LEU   4           1HB      LEU   4  27.907  -3.336   7.405
   36    HG   LEU   4           HG       LEU   4  29.109  -3.927  10.134
   37   HD11  LEU   4          1HD1      LEU   4  27.468  -5.664   8.262
   38   HD12  LEU   4          2HD1      LEU   4  26.925  -5.001   9.804
   39   HD13  LEU   4          3HD1      LEU   4  28.214  -6.203   9.767
   40   HD21  LEU   4          3HD2      LEU   4  30.933  -4.115   8.621
   41   HD22  LEU   4          1HD2      LEU   4  29.925  -4.743   7.315
   42   HD23  LEU   4          2HD2      LEU   4  30.330  -5.762   8.700
   43    H    ARG   5           H        ARG   5  30.131  -0.419   6.512
   44    HA   ARG   5           HA       ARG   5  28.525   1.893   6.742
   45    HB2  ARG   5           2HB      ARG   5  30.141   0.875   4.384
   46    HB3  ARG   5           1HB      ARG   5  29.562   2.528   4.599
   47    HG2  ARG   5           2HG      ARG   5  30.911   2.776   6.635
   48    HG3  ARG   5           1HG      ARG   5  31.447   1.100   6.519
   49    HD2  ARG   5           2HD      ARG   5  33.191   2.530   5.632
   50    HD3  ARG   5           1HD      ARG   5  32.473   1.627   4.299
   51    HE   ARG   5           HE       ARG   5  31.130   4.118   4.625
   52   HH11  ARG   5          1HH2      ARG   5  34.132   2.764   3.505
   53   HH12  ARG   5          2HH2      ARG   5  34.452   4.065   2.408
   54   HH21  ARG   5          1HH1      ARG   5  31.562   5.806   3.198
   55   HH22  ARG   5          2HH1      ARG   5  33.001   5.784   2.235
   56    H    LYS   6           H        LYS   6  26.413   0.713   6.860
   57    HA   LYS   6           HA       LYS   6  25.322  -0.155   4.239
   58    HB2  LYS   6           2HB      LYS   6  24.173  -0.332   7.047
   59    HB3  LYS   6           1HB      LYS   6  23.415  -0.958   5.584
   60    HG2  LYS   6           2HG      LYS   6  25.387  -2.431   5.198
   61    HG3  LYS   6           1HG      LYS   6  26.129  -1.804   6.662
   62    HD2  LYS   6           2HD      LYS   6  25.160  -3.823   7.448
   63    HD3  LYS   6           1HD      LYS   6  23.924  -2.644   7.870
   64    HE2  LYS   6           2HE      LYS   6  22.700  -3.220   5.787
   65    HE3  LYS   6           1HE      LYS   6  23.936  -4.398   5.388
   66    HZ1  LYS   6           3HZ      LYS   6  22.215  -4.431   7.805
   67    HZ2  LYS   6           1HZ      LYS   6  23.419  -5.567   7.436
   68    HZ3  LYS   6           2HZ      LYS   6  22.045  -5.437   6.447
   69    H    LEU   7           H        LEU   7  23.792   0.995   3.191
   70    HA   LEU   7           HA       LEU   7  23.168   3.716   4.146
   71    HB2  LEU   7           2HB      LEU   7  22.571   2.432   1.449
   72    HB3  LEU   7           1HB      LEU   7  22.520   4.150   1.846
   73    HG   LEU   7           HG       LEU   7  25.007   2.394   1.840
   74   HD11  LEU   7          1HD1      LEU   7  24.128   4.611  -0.036
   75   HD12  LEU   7          2HD1      LEU   7  24.162   2.889  -0.415
   76   HD13  LEU   7          3HD1      LEU   7  25.669   3.754  -0.114
   77   HD21  LEU   7          3HD2      LEU   7  24.591   5.322   2.564
   78   HD22  LEU   7          1HD2      LEU   7  26.165   4.716   2.041
   79   HD23  LEU   7          2HD2      LEU   7  25.420   4.068   3.490
   80    H    SER   8           H        SER   8  20.868   4.353   3.227
   81    HA   SER   8           HA       SER   8  18.794   2.347   3.566
   82    HB2  SER   8           2HB      SER   8  17.775   3.323   5.560
   83    HB3  SER   8           1HB      SER   8  19.428   2.838   5.933
   84    HG   SER   8           HG       SER   8  18.462   5.135   6.400
   85    H    LYS   9           H        LYS   9  16.774   3.105   2.959
   86    HA   LYS   9           HA       LYS   9  16.425   5.899   2.162
   87    HB2  LYS   9           2HB      LYS   9  16.318   3.634   0.137
   88    HB3  LYS   9           1HB      LYS   9  15.787   5.287  -0.157
   89    HG2  LYS   9           2HG      LYS   9  18.157   6.051   0.434
   90    HG3  LYS   9           1HG      LYS   9  18.618   4.354   0.452
   91    HD2  LYS   9           2HD      LYS   9  19.186   4.912  -1.754
   92    HD3  LYS   9           1HD      LYS   9  17.549   4.314  -1.986
   93    HE2  LYS   9           2HE      LYS   9  16.706   6.664  -1.893
   94    HE3  LYS   9           1HE      LYS   9  18.366   7.225  -1.728
   95    HZ1  LYS   9           3HZ      LYS   9  17.615   5.463  -3.964
   96    HZ2  LYS   9           1HZ      LYS   9  18.890   6.576  -3.862
   97    HZ3  LYS   9           2HZ      LYS   9  17.295   7.129  -4.052
   98    H    SER  10           H        SER  10  14.264   6.265   1.349
   99    HA   SER  10           HA       SER  10  12.241   4.482   2.644
  100    HB2  SER  10           2HB      SER  10  12.082   7.472   2.147
  101    HB3  SER  10           1HB      SER  10  10.881   6.475   2.971
  102    HG   SER  10           HG       SER  10  12.101   6.462   4.697
  103    H    VAL  11           H        VAL  11  10.596   3.765   1.441
  104    HA   VAL  11           HA       VAL  11  10.246   4.701  -1.368
  105    HB   VAL  11           HB       VAL  11   9.553   2.206  -1.758
  106   HG11  VAL  11          1HG1      VAL  11  12.476   2.890  -1.263
  107   HG12  VAL  11          2HG1      VAL  11  11.578   3.236  -2.741
  108   HG13  VAL  11          3HG1      VAL  11  11.871   1.574  -2.265
  109   HG21  VAL  11          3HG2      VAL  11   9.596   1.562   0.678
  110   HG22  VAL  11          1HG2      VAL  11  11.329   1.858   0.703
  111   HG23  VAL  11          2HG2      VAL  11  10.666   0.574  -0.299
  112    HA   PRO  12           HA       PRO  12   6.188   5.328   0.770
  113    HB2  PRO  12           2HB      PRO  12   5.558   6.499  -1.957
  114    HB3  PRO  12           1HB      PRO  12   5.179   7.159  -0.345
  115    HG2  PRO  12           2HG      PRO  12   7.168   8.209  -1.747
  116    HG3  PRO  12           1HG      PRO  12   7.387   7.905  -0.006
  117    HD2  PRO  12           2HD      PRO  12   8.414   6.249  -2.337
  118    HD3  PRO  12           1HD      PRO  12   9.244   6.723  -0.828
  119    H    VAL  13           H        VAL  13   4.321   4.133   0.674
  120    HA   VAL  13           HA       VAL  13   4.218   1.906  -1.243
  121    HB   VAL  13           HB       VAL  13   2.397   2.488   1.135
  122   HG11  VAL  13          1HG1      VAL  13   1.963   0.038   1.002
  123   HG12  VAL  13          2HG1      VAL  13   2.984  -0.055  -0.433
  124   HG13  VAL  13          3HG1      VAL  13   1.478   0.862  -0.477
  125   HG21  VAL  13          3HG2      VAL  13   4.774   2.309   1.849
  126   HG22  VAL  13          1HG2      VAL  13   4.903   0.765   1.009
  127   HG23  VAL  13          2HG2      VAL  13   3.826   0.934   2.397
  128    H    LYS  14           H        LYS  14   2.822   1.825  -2.911
  129    HA   LYS  14           HA       LYS  14   0.658   3.876  -3.123
  130    HB2  LYS  14           2HB      LYS  14   2.539   4.158  -4.742
  131    HB3  LYS  14           1HB      LYS  14   2.213   2.554  -5.374
  132    HG2  LYS  14           2HG      LYS  14  -0.031   3.226  -6.066
  133    HG3  LYS  14           1HG      LYS  14   0.164   4.810  -5.322
  134    HD2  LYS  14           2HD      LYS  14   2.131   3.917  -7.472
  135    HD3  LYS  14           1HD      LYS  14   0.555   4.538  -7.946
  136    HE2  LYS  14           2HE      LYS  14   2.553   6.042  -6.215
  137    HE3  LYS  14           1HE      LYS  14   2.269   6.324  -7.927
  138    HZ1  LYS  14           3HZ      LYS  14   0.679   7.098  -5.646
  139    HZ2  LYS  14           1HZ      LYS  14  -0.218   6.442  -6.928
  140    HZ3  LYS  14           2HZ      LYS  14   0.779   7.792  -7.194
  141    H    LEU  15           H        LEU  15  -1.320   3.070  -3.198
  142    HA   LEU  15           HA       LEU  15  -1.769   0.153  -3.559
  143    HB2  LEU  15           2HB      LEU  15  -3.613   2.304  -2.452
  144    HB3  LEU  15           1HB      LEU  15  -3.918   0.568  -2.453
  145    HG   LEU  15           HG       LEU  15  -1.633   1.946  -0.988
  146   HD11  LEU  15          1HD1      LEU  15  -3.857   2.442  -0.008
  147   HD12  LEU  15          2HD1      LEU  15  -2.901   1.411   1.057
  148   HD13  LEU  15          3HD1      LEU  15  -4.196   0.711   0.082
  149   HD21  LEU  15          3HD2      LEU  15  -1.581  -0.406   0.187
  150   HD22  LEU  15          1HD2      LEU  15  -0.856  -0.256  -1.404
  151   HD23  LEU  15          2HD2      LEU  15  -2.460  -0.974  -1.232
  152    H    GLU  16           H        GLU  16  -2.702  -0.574  -5.364
  153    HA   GLU  16           HA       GLU  16  -4.084   1.351  -7.191
  154    HB2  GLU  16           2HB      GLU  16  -1.938   0.398  -8.048
  155    HB3  GLU  16           1HB      GLU  16  -2.620  -1.218  -7.900
  156    HG2  GLU  16           2HG      GLU  16  -4.408  -0.627  -9.498
  157    HG3  GLU  16           1HG      GLU  16  -3.782   1.015  -9.607
  158    H    LEU  17           H        LEU  17  -6.204   1.083  -6.913
  159    HA   LEU  17           HA       LEU  17  -7.478  -1.248  -5.937
  160    HB2  LEU  17           2HB      LEU  17  -9.557  -0.122  -6.608
  161    HB3  LEU  17           1HB      LEU  17  -8.475   0.967  -5.753
  162    HG   LEU  17           HG       LEU  17  -7.696   1.366  -8.443
  163   HD11  LEU  17          1HD1      LEU  17 -10.729   1.233  -8.429
  164   HD12  LEU  17          2HD1      LEU  17  -9.698   0.003  -9.144
  165   HD13  LEU  17          3HD1      LEU  17  -9.677   1.644  -9.785
  166   HD21  LEU  17          3HD2      LEU  17  -8.846   3.538  -8.278
  167   HD22  LEU  17          1HD2      LEU  17  -8.038   3.147  -6.760
  168   HD23  LEU  17          2HD2      LEU  17  -9.784   2.949  -6.903
  169    H    THR  18           H        THR  18  -8.070  -3.068  -6.954
  170    HA   THR  18           HA       THR  18  -8.125  -3.183  -9.937
  171    HB   THR  18           HB       THR  18  -7.158  -5.380  -8.067
  172    HG1  THR  18           1HG      THR  18  -5.883  -3.301  -8.449
  173   HG21  THR  18          3HG2      THR  18  -8.061  -6.217 -10.197
  174   HG22  THR  18          1HG2      THR  18  -6.307  -6.375 -10.179
  175   HG23  THR  18          2HG2      THR  18  -7.063  -5.068 -11.087
  176    H    GLY  19           H        GLY  19  -9.850  -4.137 -10.789
  177    HA2  GLY  19           2HA      GLY  19 -11.575  -5.881 -10.759
  178    HA3  GLY  19           1HA      GLY  19 -11.842  -5.544  -9.052
  179    H    ASP  20           H        ASP  20 -13.929  -5.535 -10.847
  180    HA   ASP  20           HA       ASP  20 -14.552  -2.798 -11.676
  181    HB2  ASP  20           2HB      ASP  20 -16.704  -3.789 -12.389
  182    HB3  ASP  20           1HB      ASP  20 -15.332  -4.686 -13.034
  183    H    LYS  21           H        LYS  21 -15.975  -1.420 -10.651
  184    HA   LYS  21           HA       LYS  21 -16.317  -1.657  -7.830
  185    HB2  LYS  21           2HB      LYS  21 -17.631   0.196  -9.850
  186    HB3  LYS  21           1HB      LYS  21 -17.723   0.395  -8.100
  187    HG2  LYS  21           2HG      LYS  21 -15.257   0.584  -7.990
  188    HG3  LYS  21           1HG      LYS  21 -15.167   0.390  -9.742
  189    HD2  LYS  21           2HD      LYS  21 -16.542   2.443 -10.025
  190    HD3  LYS  21           1HD      LYS  21 -16.585   2.642  -8.272
  191    HE2  LYS  21           2HE      LYS  21 -14.089   2.649 -10.001
  192    HE3  LYS  21           1HE      LYS  21 -14.828   4.061  -9.246
  193    HZ1  LYS  21           3HZ      LYS  21 -14.508   2.219  -7.227
  194    HZ2  LYS  21           1HZ      LYS  21 -13.591   3.624  -7.477
  195    HZ3  LYS  21           2HZ      LYS  21 -13.064   2.143  -8.121
  196    H    ALA  22           H        ALA  22 -17.985  -2.464  -6.645
  197    HA   ALA  22           HA       ALA  22 -19.884  -4.207  -7.816
  198    HB1  ALA  22           1HB      ALA  22 -19.949  -2.965  -5.049
  199    HB2  ALA  22           2HB      ALA  22 -19.111  -4.447  -5.488
  200    HB3  ALA  22           3HB      ALA  22 -20.870  -4.370  -5.576
  201    H    SER  23           H        SER  23 -22.319  -3.961  -7.129
  202    HA   SER  23           HA       SER  23 -23.308  -1.584  -8.533
  203    HB2  SER  23           2HB      SER  23 -24.254  -3.798  -9.041
  204    HB3  SER  23           1HB      SER  23 -24.806  -3.950  -7.376
  205    HG   SER  23           HG       SER  23 -25.643  -1.618  -8.187
  206    H    ASN  24           H        ASN  24 -23.032  -2.740  -5.255
  207    HA   ASN  24           HA       ASN  24 -24.988  -0.813  -4.198
  208    HB2  ASN  24           2HB      ASN  24 -24.479  -1.869  -2.032
  209    HB3  ASN  24           1HB      ASN  24 -24.898  -3.073  -3.247
  210   HD21  ASN  24          1HD2      ASN  24 -22.680  -2.467  -0.828
  211   HD22  ASN  24          2HD2      ASN  24 -21.395  -3.419  -1.396
  212    H    VAL  25           H        VAL  25 -21.639  -0.864  -4.909
  213    HA   VAL  25           HA       VAL  25 -20.967   1.171  -2.856
  214    HB   VAL  25           HB       VAL  25 -19.480  -0.830  -3.259
  215   HG11  VAL  25          1HG1      VAL  25 -19.777  -0.714  -5.834
  216   HG12  VAL  25          2HG1      VAL  25 -18.151  -1.038  -5.251
  217   HG13  VAL  25          3HG1      VAL  25 -18.585   0.574  -5.813
  218   HG21  VAL  25          3HG2      VAL  25 -18.206   1.876  -3.813
  219   HG22  VAL  25          1HG2      VAL  25 -17.389   0.456  -3.167
  220   HG23  VAL  25          2HG2      VAL  25 -18.631   1.263  -2.216
  221    H    SER  26           H        SER  26 -20.854   3.276  -3.335
  222    HA   SER  26           HA       SER  26 -21.206   4.196  -6.117
  223    HB2  SER  26           2HB      SER  26 -22.641   5.160  -4.367
  224    HB3  SER  26           1HB      SER  26 -21.218   5.719  -3.492
  225    HG   SER  26           HG       SER  26 -20.793   6.646  -5.805
  226    H    SER  27           H        SER  27 -18.912   4.366  -3.428
  227    HA   SER  27           HA       SER  27 -16.690   4.909  -5.217
  228    HB2  SER  27           2HB      SER  27 -16.042   7.031  -4.185
  229    HB3  SER  27           1HB      SER  27 -17.656   7.183  -4.876
  230    HG   SER  27           HG       SER  27 -16.866   6.916  -2.181
  231    H    ILE  28           H        ILE  28 -14.632   4.840  -4.085
  232    HA   ILE  28           HA       ILE  28 -14.687   3.695  -1.334
  233    HB   ILE  28           HB       ILE  28 -13.038   2.601  -3.653
  234   HG12  ILE  28          2HG1      ILE  28 -15.373   1.332  -2.157
  235   HG13  ILE  28          1HG1      ILE  28 -15.498   2.032  -3.766
  236   HG21  ILE  28          1HG2      ILE  28 -12.431   0.820  -1.982
  237   HG22  ILE  28          2HG2      ILE  28 -13.316   1.713  -0.751
  238   HG23  ILE  28          3HG2      ILE  28 -11.871   2.406  -1.482
  239   HD11  ILE  28          3HD1      ILE  28 -15.228  -0.351  -4.018
  240   HD12  ILE  28          1HD1      ILE  28 -13.819  -0.348  -2.960
  241   HD13  ILE  28          2HD1      ILE  28 -13.732   0.418  -4.547
  242    H    SER  29           H        SER  29 -13.015   4.291  -0.062
  243    HA   SER  29           HA       SER  29 -10.808   5.960  -1.161
  244    HB2  SER  29           2HB      SER  29 -11.082   7.474   0.796
  245    HB3  SER  29           1HB      SER  29 -12.497   7.493  -0.253
  246    HG   SER  29           HG       SER  29 -12.701   7.183   2.183
  247    H    TYR  30           H        TYR  30  -8.957   6.043   0.256
  248    HA   TYR  30           HA       TYR  30  -8.792   4.035   2.415
  249    HB2  TYR  30           2HB      TYR  30  -6.765   3.034   1.419
  250    HB3  TYR  30           1HB      TYR  30  -8.168   2.806   0.377
  251    HD1  TYR  30           1HD      TYR  30  -5.001   4.690   0.817
  252    HD2  TYR  30           2HD      TYR  30  -8.359   3.986  -1.781
  253    HE1  TYR  30           1HE      TYR  30  -3.833   5.872  -1.018
  254    HE2  TYR  30           2HE      TYR  30  -7.181   5.168  -3.614
  255    HH   TYR  30           HH       TYR  30  -5.442   6.616  -4.047
  256    H    SER  31           H        SER  31  -6.965   4.297   3.757
  257    HA   SER  31           HA       SER  31  -5.303   6.716   3.425
  258    HB2  SER  31           2HB      SER  31  -7.292   7.508   4.638
  259    HB3  SER  31           1HB      SER  31  -7.075   6.238   5.840
  260    HG   SER  31           HG       SER  31  -5.927   8.635   5.723
  261    H    PHE  32           H        PHE  32  -3.603   6.831   5.043
  262    HA   PHE  32           HA       PHE  32  -2.898   4.317   6.421
  263    HB2  PHE  32           2HB      PHE  32  -0.608   4.414   5.327
  264    HB3  PHE  32           1HB      PHE  32  -1.918   3.968   4.236
  265    HD1  PHE  32           1HD      PHE  32   0.188   6.858   5.358
  266    HD2  PHE  32           2HD      PHE  32  -2.441   5.353   2.302
  267    HE1  PHE  32           1HE      PHE  32   0.745   8.791   3.925
  268    HE2  PHE  32           2HE      PHE  32  -1.874   7.293   0.873
  269    HZ   PHE  32           HZ       PHE  32  -0.286   9.013   1.683
  270    H    ASP  33           H        ASP  33  -1.579   4.612   8.165
  271    HA   ASP  33           HA       ASP  33  -1.455   7.213   9.340
  272    HB2  ASP  33           2HB      ASP  33  -1.655   5.103  10.640
  273    HB3  ASP  33           1HB      ASP  33  -0.014   4.673  10.169
  274    H    ARG  34           H        ARG  34   0.867   5.208   7.586
  275    HA   ARG  34           HA       ARG  34   2.801   7.473   7.488
  276    HB2  ARG  34           2HB      ARG  34   3.436   4.548   8.014
  277    HB3  ARG  34           1HB      ARG  34   4.640   5.801   7.709
  278    HG2  ARG  34           2HG      ARG  34   3.879   7.035   9.705
  279    HG3  ARG  34           1HG      ARG  34   2.663   5.796  10.017
  280    HD2  ARG  34           2HD      ARG  34   4.448   4.103  10.258
  281    HD3  ARG  34           1HD      ARG  34   5.664   5.343   9.957
  282    HE   ARG  34           HE       ARG  34   4.043   6.190  12.098
  283   HH11  ARG  34          1HH2      ARG  34   6.367   3.725  11.312
  284   HH12  ARG  34          2HH2      ARG  34   6.929   3.557  12.941
  285   HH21  ARG  34          1HH1      ARG  34   4.785   5.961  14.219
  286   HH22  ARG  34          2HH1      ARG  34   6.036   4.820  14.582
  287    H    GLY  35           H        GLY  35   2.015   4.244   6.202
  288    HA2  GLY  35           2HA      GLY  35   2.025   3.413   4.059
  289    HA3  GLY  35           1HA      GLY  35   1.742   5.068   3.529
  290    H    HIS  36           H        HIS  36   4.594   4.340   5.405
  291    HA   HIS  36           HA       HIS  36   6.336   4.034   3.061
  292    HB2  HIS  36           2HB      HIS  36   7.768   5.928   3.686
  293    HB3  HIS  36           1HB      HIS  36   6.138   6.504   3.349
  294    HD2  HIS  36           2HD      HIS  36   5.202   8.145   5.379
  295    HE1  HIS  36           1HE      HIS  36   7.635   6.683   8.505
  296    HE2  HIS  36           2HE      HIS  36   5.848   8.381   7.898
  297    H    VAL  37           H        VAL  37   8.146   2.889   3.558
  298    HA   VAL  37           HA       VAL  37   8.782   2.282   6.408
  299    HB   VAL  37           HB       VAL  37   9.160  -0.081   5.748
  300   HG11  VAL  37          1HG1      VAL  37   7.000   0.592   6.733
  301   HG12  VAL  37          2HG1      VAL  37   6.762  -0.693   5.551
  302   HG13  VAL  37          3HG1      VAL  37   6.376   0.974   5.128
  303   HG21  VAL  37          3HG2      VAL  37   8.245  -0.872   3.566
  304   HG22  VAL  37          1HG2      VAL  37   9.581   0.251   3.333
  305   HG23  VAL  37          2HG2      VAL  37   7.921   0.798   3.108
  306    H    THR  38           H        THR  38  10.986   1.347   6.646
  307    HA   THR  38           HA       THR  38  12.885   2.756   4.855
  308    HB   THR  38           HB       THR  38  13.319   1.507   7.598
  309    HG1  THR  38           1HG      THR  38  11.917   3.289   7.645
  310   HG21  THR  38          3HG2      THR  38  15.035   3.355   5.894
  311   HG22  THR  38          1HG2      THR  38  15.408   1.681   6.312
  312   HG23  THR  38          2HG2      THR  38  15.384   2.918   7.564
  313    H    ILE  39           H        ILE  39  14.256   1.642   3.584
  314    HA   ILE  39           HA       ILE  39  14.427  -1.333   3.840
  315    HB   ILE  39           HB       ILE  39  14.718  -1.370   1.384
  316   HG12  ILE  39          2HG1      ILE  39  14.015   1.591   1.502
  317   HG13  ILE  39          1HG1      ILE  39  15.622   0.984   1.151
  318   HG21  ILE  39          1HG2      ILE  39  12.369  -0.914   0.821
  319   HG22  ILE  39          2HG2      ILE  39  12.203   0.104   2.250
  320   HG23  ILE  39          3HG2      ILE  39  12.467  -1.623   2.421
  321   HD11  ILE  39          3HD1      ILE  39  14.600  -0.278  -0.810
  322   HD12  ILE  39          1HD1      ILE  39  14.578   1.482  -0.949
  323   HD13  ILE  39          2HD1      ILE  39  13.121   0.612  -0.485
  324    H    VAL  40           H        VAL  40  16.389  -2.290   3.529
  325    HA   VAL  40           HA       VAL  40  18.805  -0.548   3.330
  326    HB   VAL  40           HB       VAL  40  18.385  -2.834   5.287
  327   HG11  VAL  40          1HG1      VAL  40  20.579  -2.054   6.210
  328   HG12  VAL  40          2HG1      VAL  40  20.720  -0.931   4.857
  329   HG13  VAL  40          3HG1      VAL  40  20.725  -2.668   4.567
  330   HG21  VAL  40          3HG2      VAL  40  17.109  -0.824   5.924
  331   HG22  VAL  40          1HG2      VAL  40  18.547   0.173   5.716
  332   HG23  VAL  40          2HG2      VAL  40  18.485  -1.032   7.003
  333    H    GLY  41           H        GLY  41  20.367  -1.292   2.017
  334    HA2  GLY  41           2HA      GLY  41  21.119  -3.904   1.473
  335    HA3  GLY  41           1HA      GLY  41  19.895  -3.518   0.275
  336    H    SER  42           H        SER  42  21.676  -3.849  -1.257
  337    HA   SER  42           HA       SER  42  23.925  -2.049  -1.363
  338    HB2  SER  42           2HB      SER  42  23.940  -4.310  -2.387
  339    HB3  SER  42           1HB      SER  42  22.734  -3.778  -3.552
  340    HG   SER  42           HG       SER  42  24.632  -3.419  -4.547
  341    H    GLN  43           H        GLN  43  24.226  -0.269  -2.742
  342    HA   GLN  43           HA       GLN  43  22.037   1.444  -3.099
  343    HB2  GLN  43           2HB      GLN  43  24.457   2.119  -2.935
  344    HB3  GLN  43           1HB      GLN  43  24.686   1.547  -4.582
  345    HG2  GLN  43           2HG      GLN  43  24.332   3.949  -4.666
  346    HG3  GLN  43           1HG      GLN  43  22.897   3.181  -5.326
  347   HE21  GLN  43          1HE2      GLN  43  21.224   4.593  -4.698
  348   HE22  GLN  43          2HE2      GLN  43  20.955   5.099  -3.100
  349    H    GLU  44           H        GLU  44  23.590  -0.782  -5.371
  350    HA   GLU  44           HA       GLU  44  22.325   0.048  -7.738
  351    HB2  GLU  44           2HB      GLU  44  23.305  -2.692  -6.860
  352    HB3  GLU  44           1HB      GLU  44  22.777  -2.337  -8.504
  353    HG2  GLU  44           2HG      GLU  44  25.196  -2.145  -8.403
  354    HG3  GLU  44           1HG      GLU  44  24.514  -0.541  -8.633
  355    H    ALA  45           H        ALA  45  21.348  -2.432  -5.401
  356    HA   ALA  45           HA       ALA  45  18.979  -3.240  -6.714
  357    HB1  ALA  45           1HB      ALA  45  20.042  -4.522  -4.888
  358    HB2  ALA  45           2HB      ALA  45  18.339  -4.210  -4.554
  359    HB3  ALA  45           3HB      ALA  45  19.587  -3.262  -3.742
  360    H    MET  46           H        MET  46  19.624  -0.675  -4.386
  361    HA   MET  46           HA       MET  46  16.931   0.082  -3.875
  362    HB2  MET  46           2HB      MET  46  19.528   1.636  -3.703
  363    HB3  MET  46           1HB      MET  46  17.990   2.205  -3.064
  364    HG2  MET  46           2HG      MET  46  19.142  -0.474  -2.222
  365    HG3  MET  46           1HG      MET  46  19.566   1.016  -1.381
  366    HE1  MET  46           3HE      MET  46  17.094  -0.968   0.898
  367    HE2  MET  46           1HE      MET  46  18.538   0.046   0.960
  368    HE3  MET  46           2HE      MET  46  18.506  -1.393  -0.056
  369    H    ASP  47           H        ASP  47  19.310   1.141  -6.292
  370    HA   ASP  47           HA       ASP  47  17.894   3.326  -7.330
  371    HB2  ASP  47           2HB      ASP  47  20.273   2.845  -7.796
  372    HB3  ASP  47           1HB      ASP  47  19.801   1.441  -8.747
  373    H    LYS  48           H        LYS  48  17.573  -0.141  -7.919
  374    HA   LYS  48           HA       LYS  48  15.939   0.087 -10.272
  375    HB2  LYS  48           2HB      LYS  48  16.373  -2.171  -8.285
  376    HB3  LYS  48           1HB      LYS  48  15.485  -2.333  -9.800
  377    HG2  LYS  48           2HG      LYS  48  17.497  -1.667 -11.064
  378    HG3  LYS  48           1HG      LYS  48  18.395  -1.489  -9.556
  379    HD2  LYS  48           2HD      LYS  48  18.034  -3.888  -9.061
  380    HD3  LYS  48           1HD      LYS  48  17.149  -4.066 -10.575
  381    HE2  LYS  48           2HE      LYS  48  19.169  -3.381 -11.835
  382    HE3  LYS  48           1HE      LYS  48  20.053  -3.217 -10.317
  383    HZ1  LYS  48           3HZ      LYS  48  20.601  -5.339 -10.707
  384    HZ2  LYS  48           1HZ      LYS  48  19.309  -5.601 -11.774
  385    HZ3  LYS  48           2HZ      LYS  48  19.055  -5.691 -10.097
  386    H    ILE  49           H        ILE  49  15.358  -0.215  -6.787
  387    HA   ILE  49           HA       ILE  49  12.447  -0.348  -7.102
  388    HB   ILE  49           HB       ILE  49  14.102  -0.050  -4.555
  389   HG12  ILE  49          2HG1      ILE  49  13.008  -2.632  -5.787
  390   HG13  ILE  49          1HG1      ILE  49  14.683  -2.123  -5.945
  391   HG21  ILE  49          1HG2      ILE  49  12.092  -0.948  -3.451
  392   HG22  ILE  49          2HG2      ILE  49  11.278  -1.109  -5.006
  393   HG23  ILE  49          3HG2      ILE  49  11.651   0.483  -4.370
  394   HD11  ILE  49          3HD1      ILE  49  13.255  -2.686  -3.332
  395   HD12  ILE  49          1HD1      ILE  49  14.916  -2.103  -3.477
  396   HD13  ILE  49          2HD1      ILE  49  14.480  -3.700  -4.093
  397    H    ASP  50           H        ASP  50  11.307   1.441  -7.454
  398    HA   ASP  50           HA       ASP  50  12.207   4.104  -6.419
  399    HB2  ASP  50           2HB      ASP  50  10.424   3.439  -8.782
  400    HB3  ASP  50           1HB      ASP  50  10.910   5.057  -8.277
  401    H    SER  51           H        SER  51   9.775   1.699  -6.354
  402    HA   SER  51           HA       SER  51   8.344   2.888  -4.197
  403    HB2  SER  51           2HB      SER  51   6.170   3.278  -5.369
  404    HB3  SER  51           1HB      SER  51   7.424   4.383  -5.914
  405    HG   SER  51           HG       SER  51   7.638   2.244  -7.412
  406    H    ILE  52           H        ILE  52   6.479   1.555  -3.562
  407    HA   ILE  52           HA       ILE  52   6.657  -1.257  -4.558
  408    HB   ILE  52           HB       ILE  52   5.685  -0.279  -1.841
  409   HG12  ILE  52          2HG1      ILE  52   8.061   0.250  -2.026
  410   HG13  ILE  52          1HG1      ILE  52   7.864  -1.135  -0.966
  411   HG21  ILE  52          1HG2      ILE  52   4.779  -2.463  -2.509
  412   HG22  ILE  52          2HG2      ILE  52   5.965  -2.675  -1.225
  413   HG23  ILE  52          3HG2      ILE  52   6.399  -3.040  -2.892
  414   HD11  ILE  52          3HD1      ILE  52   8.950  -1.053  -3.781
  415   HD12  ILE  52          1HD1      ILE  52   8.357  -2.567  -3.099
  416   HD13  ILE  52          2HD1      ILE  52   9.691  -1.718  -2.334
  417    H    THR  53           H        THR  53   4.968  -1.804  -5.787
  418    HA   THR  53           HA       THR  53   2.323  -0.470  -5.454
  419    HB   THR  53           HB       THR  53   3.389  -2.115  -7.790
  420    HG1  THR  53           1HG      THR  53   4.511  -0.332  -7.988
  421   HG21  THR  53          3HG2      THR  53   1.491  -1.079  -9.005
  422   HG22  THR  53          1HG2      THR  53   0.954  -0.319  -7.509
  423   HG23  THR  53          2HG2      THR  53   0.927  -2.075  -7.668
  424    H    VAL  54           H        VAL  54   0.737  -1.635  -4.496
  425    HA   VAL  54           HA       VAL  54   0.851  -4.611  -4.528
  426    HB   VAL  54           HB       VAL  54  -0.123  -2.853  -2.251
  427   HG11  VAL  54          1HG1      VAL  54   0.298  -5.862  -2.493
  428   HG12  VAL  54          2HG1      VAL  54  -1.249  -5.037  -2.306
  429   HG13  VAL  54          3HG1      VAL  54  -0.081  -5.025  -0.988
  430   HG21  VAL  54          3HG2      VAL  54   2.310  -2.653  -2.499
  431   HG22  VAL  54          1HG2      VAL  54   2.473  -4.407  -2.591
  432   HG23  VAL  54          2HG2      VAL  54   1.942  -3.645  -1.095
  433    HA   PRO  55           HA       PRO  55  -3.292  -3.464  -6.179
  434    HB2  PRO  55           2HB      PRO  55  -4.013  -5.784  -7.388
  435    HB3  PRO  55           1HB      PRO  55  -2.719  -4.770  -8.072
  436    HG2  PRO  55           2HG      PRO  55  -2.458  -7.201  -6.305
  437    HG3  PRO  55           1HG      PRO  55  -1.614  -6.844  -7.831
  438    HD2  PRO  55           2HD      PRO  55  -0.467  -6.355  -5.384
  439    HD3  PRO  55           1HD      PRO  55  -0.115  -5.328  -6.797
  440    H    VAL  56           H        VAL  56  -5.331  -3.654  -5.310
  441    HA   VAL  56           HA       VAL  56  -5.846  -5.743  -3.241
  442    HB   VAL  56           HB       VAL  56  -6.520  -2.780  -3.062
  443   HG11  VAL  56          1HG1      VAL  56  -7.229  -3.404  -0.724
  444   HG12  VAL  56          2HG1      VAL  56  -7.007  -5.101  -1.149
  445   HG13  VAL  56          3HG1      VAL  56  -8.244  -4.140  -1.963
  446   HG21  VAL  56          3HG2      VAL  56  -4.517  -4.477  -1.529
  447   HG22  VAL  56          1HG2      VAL  56  -4.891  -2.785  -1.195
  448   HG23  VAL  56          2HG2      VAL  56  -4.121  -3.233  -2.715
  449    H    ASP  57           H        ASP  57  -7.644  -6.824  -3.615
  450    HA   ASP  57           HA       ASP  57  -9.421  -6.188  -5.799
  451    HB2  ASP  57           2HB      ASP  57  -9.630  -8.267  -3.597
  452    HB3  ASP  57           1HB      ASP  57 -10.675  -8.193  -5.015
  453    H    ILE  58           H        ILE  58 -11.191  -4.917  -5.719
  454    HA   ILE  58           HA       ILE  58 -12.258  -4.011  -3.104
  455    HB   ILE  58           HB       ILE  58 -13.282  -2.180  -4.451
  456   HG12  ILE  58          2HG1      ILE  58 -11.650  -3.293  -6.779
  457   HG13  ILE  58          1HG1      ILE  58 -13.390  -3.491  -6.634
  458   HG21  ILE  58          1HG2      ILE  58 -11.176  -0.979  -4.893
  459   HG22  ILE  58          2HG2      ILE  58 -10.290  -2.502  -4.864
  460   HG23  ILE  58          3HG2      ILE  58 -11.055  -1.897  -3.395
  461   HD11  ILE  58          3HD1      ILE  58 -11.923  -0.845  -6.823
  462   HD12  ILE  58          1HD1      ILE  58 -13.664  -1.025  -6.593
  463   HD13  ILE  58          2HD1      ILE  58 -12.906  -1.590  -8.080
  464    H    SER  59           H        SER  59 -12.987  -6.038  -5.771
  465    HA   SER  59           HA       SER  59 -15.783  -5.791  -5.918
  466    HB2  SER  59           2HB      SER  59 -14.435  -7.016  -7.571
  467    HB3  SER  59           1HB      SER  59 -14.067  -8.248  -6.366
  468    HG   SER  59           HG       SER  59 -15.828  -8.884  -7.629
  469    H    GLN  60           H        GLN  60 -13.758  -7.802  -3.797
  470    HA   GLN  60           HA       GLN  60 -16.050  -9.078  -2.516
  471    HB2  GLN  60           2HB      GLN  60 -13.085  -9.122  -1.857
  472    HB3  GLN  60           1HB      GLN  60 -14.313 -10.150  -1.115
  473    HG2  GLN  60           2HG      GLN  60 -14.851 -11.118  -3.322
  474    HG3  GLN  60           1HG      GLN  60 -13.632 -10.091  -4.075
  475   HE21  GLN  60          1HE2      GLN  60 -13.678 -13.076  -3.956
  476   HE22  GLN  60          2HE2      GLN  60 -12.240 -13.525  -3.174
  477    H    VAL  61           H        VAL  61 -14.585  -6.068  -2.262
  478    HA   VAL  61           HA       VAL  61 -14.910  -5.763   0.655
  479    HB   VAL  61           HB       VAL  61 -14.044  -3.755  -1.458
  480   HG11  VAL  61          1HG1      VAL  61 -13.110  -2.532   0.528
  481   HG12  VAL  61          2HG1      VAL  61 -13.895  -3.707   1.581
  482   HG13  VAL  61          3HG1      VAL  61 -14.867  -2.639   0.571
  483   HG21  VAL  61          3HG2      VAL  61 -12.509  -5.697  -1.290
  484   HG22  VAL  61          1HG2      VAL  61 -12.401  -5.456   0.452
  485   HG23  VAL  61          2HG2      VAL  61 -11.759  -4.238  -0.649
  486    H    THR  62           H        THR  62 -16.978  -5.548   1.285
  487    HA   THR  62           HA       THR  62 -18.739  -3.559  -0.077
  488    HB   THR  62           HB       THR  62 -20.641  -5.041   0.364
  489    HG1  THR  62           1HG      THR  62 -20.315  -6.425   1.897
  490   HG21  THR  62          3HG2      THR  62 -20.094  -6.815  -1.253
  491   HG22  THR  62          1HG2      THR  62 -18.374  -6.486  -1.050
  492   HG23  THR  62          2HG2      THR  62 -19.425  -5.273  -1.784
  493    H    GLU  63           H        GLU  63 -17.041  -4.249   2.635
  494    HA   GLU  63           HA       GLU  63 -18.784  -2.572   4.348
  495    HB2  GLU  63           2HB      GLU  63 -19.211  -4.974   4.905
  496    HB3  GLU  63           1HB      GLU  63 -17.508  -5.158   5.299
  497    HG2  GLU  63           2HG      GLU  63 -17.704  -3.461   7.069
  498    HG3  GLU  63           1HG      GLU  63 -19.389  -3.183   6.640
  499    H    ASP  64           H        ASP  64 -17.642  -1.334   5.792
  500    HA   ASP  64           HA       ASP  64 -14.984  -0.598   5.129
  501    HB2  ASP  64           2HB      ASP  64 -15.099   0.804   7.183
  502    HB3  ASP  64           1HB      ASP  64 -16.527   0.994   6.166
  503    H    THR  65           H        THR  65 -13.048  -1.193   5.963
  504    HA   THR  65           HA       THR  65 -12.692  -2.563   8.458
  505    HB   THR  65           HB       THR  65 -13.631  -4.465   7.248
  506    HG1  THR  65           1HG      THR  65 -11.292  -5.545   7.050
  507   HG21  THR  65          3HG2      THR  65 -11.416  -4.024   5.214
  508   HG22  THR  65          1HG2      THR  65 -13.120  -3.657   4.945
  509   HG23  THR  65          2HG2      THR  65 -12.604  -5.324   5.197
  510    H    SER  66           H        SER  66 -10.384  -3.788   8.221
  511    HA   SER  66           HA       SER  66  -8.477  -2.164   6.672
  512    HB2  SER  66           2HB      SER  66  -7.153  -1.589   8.639
  513    HB3  SER  66           1HB      SER  66  -8.792  -0.981   8.858
  514    HG   SER  66           HG       SER  66  -9.069  -2.332  10.450
  515    H    LYS  67           H        LYS  67  -6.598  -3.254   6.208
  516    HA   LYS  67           HA       LYS  67  -6.149  -5.937   7.421
  517    HB2  LYS  67           2HB      LYS  67  -6.227  -5.356   4.439
  518    HB3  LYS  67           1HB      LYS  67  -5.726  -6.874   5.176
  519    HG2  LYS  67           2HG      LYS  67  -7.989  -7.082   6.226
  520    HG3  LYS  67           1HG      LYS  67  -8.470  -5.597   5.417
  521    HD2  LYS  67           2HD      LYS  67  -9.311  -7.258   3.937
  522    HD3  LYS  67           1HD      LYS  67  -7.781  -6.826   3.185
  523    HE2  LYS  67           2HE      LYS  67  -6.710  -8.803   4.226
  524    HE3  LYS  67           1HE      LYS  67  -8.224  -9.198   5.036
  525    HZ1  LYS  67           3HZ      LYS  67  -8.338 -10.505   3.183
  526    HZ2  LYS  67           1HZ      LYS  67  -7.526  -9.391   2.194
  527    HZ3  LYS  67           2HZ      LYS  67  -9.146  -9.117   2.626
  528    H    THR  68           H        THR  68  -4.041  -6.524   7.603
  529    HA   THR  68           HA       THR  68  -2.034  -4.426   7.278
  530    HB   THR  68           HB       THR  68  -1.700  -7.292   8.256
  531    HG1  THR  68           1HG      THR  68  -1.593  -5.452  10.169
  532   HG21  THR  68          3HG2      THR  68   0.023  -4.805   8.569
  533   HG22  THR  68          1HG2      THR  68   0.430  -6.238   7.625
  534   HG23  THR  68          2HG2      THR  68   0.312  -6.342   9.378
  535    H    LEU  69           H        LEU  69  -0.599  -4.299   5.626
  536    HA   LEU  69           HA       LEU  69  -0.538  -6.469   3.570
  537    HB2  LEU  69           2HB      LEU  69   0.139  -3.523   3.235
  538    HB3  LEU  69           1HB      LEU  69  -0.015  -4.733   1.959
  539    HG   LEU  69           HG       LEU  69  -2.253  -3.739   3.771
  540   HD11  LEU  69          1HD1      LEU  69  -1.532  -2.108   2.052
  541   HD12  LEU  69          2HD1      LEU  69  -3.152  -2.722   1.720
  542   HD13  LEU  69          3HD1      LEU  69  -1.774  -3.329   0.802
  543   HD21  LEU  69          3HD2      LEU  69  -2.203  -5.891   1.619
  544   HD22  LEU  69          1HD2      LEU  69  -3.700  -5.061   2.054
  545   HD23  LEU  69          2HD2      LEU  69  -2.838  -5.994   3.263
  546    H    GLU  70           H        GLU  70   1.207  -7.685   3.818
  547    HA   GLU  70           HA       GLU  70   3.698  -6.657   4.967
  548    HB2  GLU  70           2HB      GLU  70   2.961  -9.385   3.841
  549    HB3  GLU  70           1HB      GLU  70   4.482  -8.999   4.650
  550    HG2  GLU  70           2HG      GLU  70   3.245  -8.382   6.695
  551    HG3  GLU  70           1HG      GLU  70   1.722  -8.757   5.893
  552    H    LEU  71           H        LEU  71   5.315  -5.825   3.783
  553    HA   LEU  71           HA       LEU  71   5.267  -6.088   0.813
  554    HB2  LEU  71           2HB      LEU  71   6.861  -4.104   2.482
  555    HB3  LEU  71           1HB      LEU  71   6.521  -4.033   0.755
  556    HG   LEU  71           HG       LEU  71   4.481  -3.774   2.999
  557   HD11  LEU  71          1HD1      LEU  71   5.927  -1.801   2.735
  558   HD12  LEU  71          2HD1      LEU  71   4.282  -1.450   2.212
  559   HD13  LEU  71          3HD1      LEU  71   5.542  -1.742   1.015
  560   HD21  LEU  71          3HD2      LEU  71   4.152  -3.826  -0.026
  561   HD22  LEU  71          1HD2      LEU  71   2.952  -3.083   1.034
  562   HD23  LEU  71          2HD2      LEU  71   3.308  -4.795   1.182
  563    H    LYS  72           H        LYS  72   6.857  -7.065  -0.261
  564    HA   LYS  72           HA       LYS  72   9.402  -7.798   1.101
  565    HB2  LYS  72           2HB      LYS  72   9.254 -10.045   0.043
  566    HB3  LYS  72           1HB      LYS  72   7.955  -9.766   1.202
  567    HG2  LYS  72           2HG      LYS  72   6.429  -9.161  -0.667
  568    HG3  LYS  72           1HG      LYS  72   7.722  -9.494  -1.818
  569    HD2  LYS  72           2HD      LYS  72   7.832 -11.832  -1.038
  570    HD3  LYS  72           1HD      LYS  72   6.537 -11.510   0.115
  571    HE2  LYS  72           2HE      LYS  72   5.012 -10.949  -1.737
  572    HE3  LYS  72           1HE      LYS  72   6.303 -11.243  -2.901
  573    HZ1  LYS  72           3HZ      LYS  72   4.605 -13.108  -2.310
  574    HZ2  LYS  72           1HZ      LYS  72   5.622 -13.349  -0.974
  575    HZ3  LYS  72           2HZ      LYS  72   6.245 -13.484  -2.549
  576    H    ALA  73           H        ALA  73  11.208  -7.732  -0.183
  577    HA   ALA  73           HA       ALA  73  10.962  -7.305  -3.096
  578    HB1  ALA  73           1HB      ALA  73  10.901  -5.047  -2.142
  579    HB2  ALA  73           2HB      ALA  73  12.453  -5.314  -2.935
  580    HB3  ALA  73           3HB      ALA  73  12.331  -5.392  -1.177
  581    H    GLU  74           H        GLU  74  12.609  -8.268  -4.182
  582    HA   GLU  74           HA       GLU  74  14.545  -9.844  -2.664
  583    HB2  GLU  74           2HB      GLU  74  13.944  -9.634  -5.631
  584    HB3  GLU  74           1HB      GLU  74  15.096 -10.770  -4.923
  585    HG2  GLU  74           2HG      GLU  74  13.293 -11.756  -3.551
  586    HG3  GLU  74           1HG      GLU  74  12.139 -10.621  -4.242
  587    H    GLY  75           H        GLY  75  16.432  -9.103  -2.089
  588    HA2  GLY  75           2HA      GLY  75  18.673  -8.484  -2.838
  589    HA3  GLY  75           1HA      GLY  75  17.968  -7.248  -3.865
  590    H    VAL  76           H        VAL  76  16.070  -6.823  -1.373
  591    HA   VAL  76           HA       VAL  76  17.955  -5.281   0.342
  592    HB   VAL  76           HB       VAL  76  16.414  -3.388   0.372
  593   HG11  VAL  76          1HG1      VAL  76  18.164  -3.470  -1.400
  594   HG12  VAL  76          2HG1      VAL  76  16.741  -2.578  -1.917
  595   HG13  VAL  76          3HG1      VAL  76  17.005  -4.224  -2.490
  596   HG21  VAL  76          3HG2      VAL  76  14.740  -5.053  -1.558
  597   HG22  VAL  76          1HG2      VAL  76  14.478  -3.332  -1.272
  598   HG23  VAL  76          2HG2      VAL  76  14.254  -4.484   0.040
  599    H    THR  77           H        THR  77  17.073  -4.795   2.447
  600    HA   THR  77           HA       THR  77  15.121  -6.841   3.401
  601    HB   THR  77           HB       THR  77  17.241  -5.324   4.976
  602    HG1  THR  77           1HG      THR  77  18.506  -6.999   4.653
  603   HG21  THR  77          3HG2      THR  77  15.332  -6.054   6.354
  604   HG22  THR  77          1HG2      THR  77  16.748  -7.042   6.704
  605   HG23  THR  77          2HG2      THR  77  15.459  -7.680   5.686
  606    H    VAL  78           H        VAL  78  13.167  -6.010   3.763
  607    HA   VAL  78           HA       VAL  78  12.821  -3.135   4.448
  608    HB   VAL  78           HB       VAL  78  11.710  -3.896   2.393
  609   HG11  VAL  78          1HG1      VAL  78  10.184  -5.847   4.141
  610   HG12  VAL  78          2HG1      VAL  78  11.457  -6.285   3.009
  611   HG13  VAL  78          3HG1      VAL  78   9.958  -5.580   2.419
  612   HG21  VAL  78          3HG2      VAL  78  10.597  -2.174   3.850
  613   HG22  VAL  78          1HG2      VAL  78   9.671  -3.459   4.607
  614   HG23  VAL  78          2HG2      VAL  78   9.450  -3.112   2.899
  615    H    GLN  79           H        GLN  79  12.009  -2.563   6.399
  616    HA   GLN  79           HA       GLN  79  10.458  -4.422   7.986
  617    HB2  GLN  79           2HB      GLN  79  12.053  -4.320   9.944
  618    HB3  GLN  79           1HB      GLN  79  12.609  -5.284   8.575
  619    HG2  GLN  79           2HG      GLN  79  13.998  -3.417   7.783
  620    HG3  GLN  79           1HG      GLN  79  13.414  -2.400   9.101
  621   HE21  GLN  79          1HE2      GLN  79  16.225  -3.437   8.530
  622   HE22  GLN  79          2HE2      GLN  79  16.682  -4.239   9.954
  623    HA   PRO  80           HA       PRO  80   9.508  -4.372  10.260
  624    HB2  PRO  80           2HB      PRO  80   6.975  -3.635  11.030
  625    HB3  PRO  80           1HB      PRO  80   8.414  -3.140  11.954
  626    HG2  PRO  80           2HG      PRO  80   6.911  -1.579   9.850
  627    HG3  PRO  80           1HG      PRO  80   7.405  -1.055  11.479
  628    HD2  PRO  80           2HD      PRO  80   8.905  -0.400   9.303
  629    HD3  PRO  80           1HD      PRO  80   9.685  -0.807  10.849
  630    H    SER  81           H        SER  81   8.436  -2.521   7.652
  631    HA   SER  81           HA       SER  81   7.491  -3.031   5.647
  632    HB2  SER  81           2HB      SER  81   8.936  -5.211   6.181
  633    HB3  SER  81           1HB      SER  81   7.355  -5.979   6.246
  634    HG   SER  81           HG       SER  81   6.951  -5.139   4.174
  635    H    THR  82           H        THR  82   5.970  -3.626   8.547
  636    HA   THR  82           HA       THR  82   3.367  -4.387   7.350
  637    HB   THR  82           HB       THR  82   2.686  -4.649   9.739
  638    HG1  THR  82           1HG      THR  82   4.711  -3.114  10.158
  639   HG21  THR  82          3HG2      THR  82   3.628  -6.582   8.547
  640   HG22  THR  82          1HG2      THR  82   4.117  -6.603  10.242
  641   HG23  THR  82          2HG2      THR  82   5.256  -6.084   9.002
  642    H    VAL  83           H        VAL  83   1.712  -2.990   7.337
  643    HA   VAL  83           HA       VAL  83   1.786  -0.423   8.781
  644    HB   VAL  83           HB       VAL  83   1.211   0.827   6.662
  645   HG11  VAL  83          1HG1      VAL  83   3.947  -0.509   6.521
  646   HG12  VAL  83          2HG1      VAL  83   3.551   0.806   7.626
  647   HG13  VAL  83          3HG1      VAL  83   3.503   1.073   5.886
  648   HG21  VAL  83          3HG2      VAL  83   2.126  -1.755   5.333
  649   HG22  VAL  83          1HG2      VAL  83   1.799  -0.242   4.492
  650   HG23  VAL  83          2HG2      VAL  83   0.490  -1.100   5.296
  651    H    LYS  84           H        LYS  84  -0.311   0.397   9.142
  652    HA   LYS  84           HA       LYS  84  -2.494  -1.538   8.658
  653    HB2  LYS  84           2HB      LYS  84  -2.301   0.945  10.409
  654    HB3  LYS  84           1HB      LYS  84  -3.703  -0.127  10.313
  655    HG2  LYS  84           2HG      LYS  84  -2.331  -2.015  11.107
  656    HG3  LYS  84           1HG      LYS  84  -0.916  -0.963  11.193
  657    HD2  LYS  84           2HD      LYS  84  -2.056   0.455  12.859
  658    HD3  LYS  84           1HD      LYS  84  -3.485  -0.575  12.769
  659    HE2  LYS  84           2HE      LYS  84  -2.100  -1.166  14.720
  660    HE3  LYS  84           1HE      LYS  84  -2.154  -2.497  13.565
  661    HZ1  LYS  84           3HZ      LYS  84   0.099  -1.486  14.583
  662    HZ2  LYS  84           1HZ      LYS  84  -0.018  -0.586  13.150
  663    HZ3  LYS  84           2HZ      LYS  84   0.012  -2.283  13.086
  664    H    VAL  85           H        VAL  85  -4.028  -1.119   7.192
  665    HA   VAL  85           HA       VAL  85  -4.305   1.625   6.040
  666    HB   VAL  85           HB       VAL  85  -4.513  -1.020   4.552
  667   HG11  VAL  85          1HG1      VAL  85  -5.938   0.764   3.615
  668   HG12  VAL  85          2HG1      VAL  85  -4.587   0.427   2.547
  669   HG13  VAL  85          3HG1      VAL  85  -4.557   1.856   3.579
  670   HG21  VAL  85          3HG2      VAL  85  -2.184  -0.550   5.188
  671   HG22  VAL  85          1HG2      VAL  85  -2.323   1.089   4.554
  672   HG23  VAL  85          2HG2      VAL  85  -2.395  -0.292   3.460
  673    H    ASN  86           H        ASN  86  -6.291   2.403   6.253
  674    HA   ASN  86           HA       ASN  86  -8.548   0.605   6.973
  675    HB2  ASN  86           2HB      ASN  86  -8.263   3.628   7.145
  676    HB3  ASN  86           1HB      ASN  86  -9.655   2.689   7.688
  677   HD21  ASN  86          1HD2      ASN  86  -7.134   4.261   8.997
  678   HD22  ASN  86          2HD2      ASN  86  -6.768   3.240  10.301
  679    H    LEU  87           H        LEU  87  -9.981   0.119   5.438
  680    HA   LEU  87           HA       LEU  87 -10.164   1.760   2.952
  681    HB2  LEU  87           2HB      LEU  87 -10.984  -1.139   3.390
  682    HB3  LEU  87           1HB      LEU  87 -10.892  -0.282   1.851
  683    HG   LEU  87           HG       LEU  87  -8.525  -0.909   3.664
  684   HD11  LEU  87          1HD1      LEU  87  -9.352  -2.106   0.998
  685   HD12  LEU  87          2HD1      LEU  87  -9.469  -2.911   2.562
  686   HD13  LEU  87          3HD1      LEU  87  -7.887  -2.508   1.896
  687   HD21  LEU  87          3HD2      LEU  87  -8.020   1.112   2.424
  688   HD22  LEU  87          1HD2      LEU  87  -8.703   0.448   0.941
  689   HD23  LEU  87          2HD2      LEU  87  -7.197  -0.192   1.597
  690    H    LYS  88           H        LYS  88 -11.789   3.206   3.308
  691    HA   LYS  88           HA       LYS  88 -14.270   2.353   4.639
  692    HB2  LYS  88           2HB      LYS  88 -13.427   5.065   3.550
  693    HB3  LYS  88           1HB      LYS  88 -14.849   4.740   4.537
  694    HG2  LYS  88           2HG      LYS  88 -12.006   4.215   5.483
  695    HG3  LYS  88           1HG      LYS  88 -12.865   5.717   5.796
  696    HD2  LYS  88           2HD      LYS  88 -14.632   4.424   6.996
  697    HD3  LYS  88           1HD      LYS  88 -13.705   2.951   6.745
  698    HE2  LYS  88           2HE      LYS  88 -11.803   3.907   7.978
  699    HE3  LYS  88           1HE      LYS  88 -12.732   5.382   8.256
  700    HZ1  LYS  88           3HZ      LYS  88 -12.906   3.959  10.158
  701    HZ2  LYS  88           1HZ      LYS  88 -13.414   2.652   9.204
  702    HZ3  LYS  88           2HZ      LYS  88 -14.417   4.012   9.384
  703    H    VAL  89           H        VAL  89 -15.992   1.803   3.568
  704    HA   VAL  89           HA       VAL  89 -16.122   2.153   0.617
  705    HB   VAL  89           HB       VAL  89 -16.054  -0.171   1.568
  706   HG11  VAL  89          1HG1      VAL  89 -17.981  -1.077   2.719
  707   HG12  VAL  89          2HG1      VAL  89 -18.798   0.472   2.696
  708   HG13  VAL  89          3HG1      VAL  89 -17.327   0.266   3.649
  709   HG21  VAL  89          3HG2      VAL  89 -17.083   0.245  -0.620
  710   HG22  VAL  89          1HG2      VAL  89 -18.625   0.614   0.154
  711   HG23  VAL  89          2HG2      VAL  89 -17.969  -1.022   0.226
  712    H    THR  90           H        THR  90 -17.816   3.223  -0.281
  713    HA   THR  90           HA       THR  90 -19.748   4.574   1.531
  714    HB   THR  90           HB       THR  90 -19.057   5.126  -1.381
  715    HG1  THR  90           1HG      THR  90 -17.577   6.427  -0.641
  716   HG21  THR  90          3HG2      THR  90 -21.295   5.948  -0.794
  717   HG22  THR  90          1HG2      THR  90 -20.180   7.307  -0.909
  718   HG23  THR  90          2HG2      THR  90 -20.661   6.695   0.671
  719    H    GLN  91           H        GLN  91 -21.753   3.725   1.654
  720    HA   GLN  91           HA       GLN  91 -22.660   1.673  -0.200
  721    HB2  GLN  91           2HB      GLN  91 -24.107   3.038   2.102
  722    HB3  GLN  91           1HB      GLN  91 -24.642   1.584   1.258
  723    HG2  GLN  91           2HG      GLN  91 -22.023   1.820   2.793
  724    HG3  GLN  91           1HG      GLN  91 -23.488   1.084   3.430
  725   HE21  GLN  91          1HE2      GLN  91 -20.590   0.250   2.050
  726   HE22  GLN  91          2HE2      GLN  91 -21.040  -1.218   1.330
  727    H    LYS  92           H        LYS  92 -24.037   1.939  -1.886
  728    HA   LYS  92           HA       LYS  92 -24.540   4.496  -2.969
  729    HB2  LYS  92           2HB      LYS  92 -24.469   2.314  -4.250
  730    HB3  LYS  92           1HB      LYS  92 -26.061   1.933  -3.600
  731    HG2  LYS  92           2HG      LYS  92 -26.980   3.984  -4.642
  732    HG3  LYS  92           1HG      LYS  92 -25.385   4.382  -5.272
  733    HD2  LYS  92           2HD      LYS  92 -25.379   2.269  -6.571
  734    HD3  LYS  92           1HD      LYS  92 -26.991   1.898  -5.956
  735    HE2  LYS  92           2HE      LYS  92 -26.238   4.306  -7.647
  736    HE3  LYS  92           1HE      LYS  92 -27.154   2.902  -8.193
  737    HZ1  LYS  92           3HZ      LYS  92 -28.067   5.198  -6.809
  738    HZ2  LYS  92           1HZ      LYS  92 -28.422   3.803  -5.912
  739    HZ3  LYS  92           2HZ      LYS  92 -28.969   3.944  -7.515
  740    H    LEU  93           H        LEU  93 -26.300   5.848  -2.875
  741    HA   LEU  93           HA       LEU  93 -28.046   5.640  -0.598
  742    HB2  LEU  93           2HB      LEU  93 -27.757   7.593  -2.893
  743    HB3  LEU  93           1HB      LEU  93 -29.099   7.749  -1.763
  744    HG   LEU  93           HG       LEU  93 -27.522   7.955   0.118
  745   HD11  LEU  93          1HD1      LEU  93 -25.048   8.299  -0.448
  746   HD12  LEU  93          2HD1      LEU  93 -25.402   7.615  -2.036
  747   HD13  LEU  93          3HD1      LEU  93 -25.636   6.648  -0.579
  748   HD21  LEU  93          3HD2      LEU  93 -26.600  10.176  -0.484
  749   HD22  LEU  93          1HD2      LEU  93 -28.248   9.992  -1.085
  750   HD23  LEU  93          2HD2      LEU  93 -26.882   9.829  -2.191
  751    H    GLU  94           H        GLU  94 -28.125   3.886  -3.237
  752    HA   GLU  94           HA       GLU  94 -29.706   2.768  -4.491
  753    HB2  GLU  94           2HB      GLU  94 -31.311   3.253  -1.960
  754    HB3  GLU  94           1HB      GLU  94 -31.721   2.079  -3.211
  755    HG2  GLU  94           2HG      GLU  94 -29.593   0.900  -2.826
  756    HG3  GLU  94           1HG      GLU  94 -29.146   2.082  -1.600
  757    H    HIS  95           H        HIS  95 -32.464   2.983  -4.701
  758    HA   HIS  95           HA       HIS  95 -34.037   4.147  -5.916
  759    HB2  HIS  95           2HB      HIS  95 -33.039   6.380  -4.117
  760    HB3  HIS  95           1HB      HIS  95 -34.544   6.422  -5.034
  761    HD2  HIS  95           2HD      HIS  95 -36.555   4.574  -4.078
  762    HE1  HIS  95           1HE      HIS  95 -34.575   3.764  -0.439
  763    HE2  HIS  95           2HE      HIS  95 -36.759   3.500  -1.706
  764    H    HIS  96           H        HIS  96 -32.042   7.040  -5.542
  765    HA   HIS  96           HA       HIS  96 -32.137   7.683  -8.305
  766    HB2  HIS  96           2HB      HIS  96 -30.251   8.689  -6.144
  767    HB3  HIS  96           1HB      HIS  96 -30.520   9.453  -7.711
  768    HD2  HIS  96           2HD      HIS  96 -33.076  10.734  -7.985
  769    HE1  HIS  96           1HE      HIS  96 -34.142  10.357  -3.917
  770    HE2  HIS  96           2HE      HIS  96 -34.764  11.448  -6.124
  771    H    HIS  97           H        HIS  97 -31.012   6.750  -9.917
  772    HA   HIS  97           HA       HIS  97 -28.884   4.888  -9.460
  773    HB2  HIS  97           2HB      HIS  97 -30.441   4.747 -11.397
  774    HB3  HIS  97           1HB      HIS  97 -29.747   6.227 -12.051
  775    HD2  HIS  97           2HD      HIS  97 -27.805   5.597 -13.902
  776    HE1  HIS  97           1HE      HIS  97 -26.468   1.974 -12.196
  777    HE2  HIS  97           2HE      HIS  97 -26.144   3.594 -14.125
  778    H    HIS  98           H        HIS  98 -26.737   5.127 -10.597
  779    HA   HIS  98           HA       HIS  98 -25.310   7.322  -9.554
  780    HB2  HIS  98           2HB      HIS  98 -24.281   5.127 -10.091
  781    HB3  HIS  98           1HB      HIS  98 -24.507   5.448 -11.808
  782    HD2  HIS  98           2HD      HIS  98 -22.385   6.817 -12.947
  783    HE1  HIS  98           1HE      HIS  98 -20.627   8.260  -9.391
  784    HE2  HIS  98           2HE      HIS  98 -20.379   8.131 -11.914
  785    H    HIS  99           H        HIS  99 -26.565   6.666 -12.810
  786    HA   HIS  99           HA       HIS  99 -26.808   7.981 -14.672
  787    HB2  HIS  99           2HB      HIS  99 -28.335   9.173 -13.123
  788    HB3  HIS  99           1HB      HIS  99 -26.998  10.197 -12.604
  789    HD2  HIS  99           2HD      HIS  99 -29.419   9.826 -15.664
  790    HE1  HIS  99           1HE      HIS  99 -26.900  13.132 -16.410
  791    HE2  HIS  99           2HE      HIS  99 -28.944  11.866 -17.225
  792    H    HIS 100           H        HIS 100 -24.780   7.710 -15.602
  793    HA   HIS 100           HA       HIS 100 -22.406   9.030 -14.858
  794    HB2  HIS 100           2HB      HIS 100 -23.253   8.051 -17.604
  795    HB3  HIS 100           1HB      HIS 100 -21.601   8.420 -17.106
  796    HD2  HIS 100           2HD      HIS 100 -24.049   5.459 -17.010
  797    HE1  HIS 100           1HE      HIS 100 -20.886   4.477 -14.391
  798    HE2  HIS 100           2HE      HIS 100 -22.933   3.572 -15.590
  Start of MODEL    3
    1    H1   LYS   1           1HT      LYS   1  20.123   6.515  12.790
    2    H2   LYS   1           2HT      LYS   1  18.611   7.262  12.579
    3    H3   LYS   1           3HT      LYS   1  19.657   7.788  13.811
    4    HA   LYS   1           HA       LYS   1  19.608   8.480  11.014
    5    HB2  LYS   1           2HB      LYS   1  20.881   9.661  13.511
    6    HB3  LYS   1           1HB      LYS   1  20.829  10.464  11.941
    7    HG2  LYS   1           2HG      LYS   1  18.355  10.399  11.988
    8    HG3  LYS   1           1HG      LYS   1  18.407   9.604  13.562
    9    HD2  LYS   1           2HD      LYS   1  19.600  11.575  14.503
   10    HD3  LYS   1           1HD      LYS   1  19.498  12.368  12.931
   11    HE2  LYS   1           2HE      LYS   1  17.136  11.488  14.622
   12    HE3  LYS   1           1HE      LYS   1  17.691  13.149  14.414
   13    HZ1  LYS   1           2HZ      LYS   1  17.359  12.791  11.972
   14    HZ2  LYS   1           3HZ      LYS   1  15.936  12.826  12.899
   15    HZ3  LYS   1           1HZ      LYS   1  16.557  11.345  12.357
   16    H    ILE   2           H        ILE   2  20.867   7.001   9.878
   17    HA   ILE   2           HA       ILE   2  23.804   7.131  10.337
   18    HB   ILE   2           HB       ILE   2  23.954   4.718   9.749
   19   HG12  ILE   2          2HG1      ILE   2  20.915   4.715  10.065
   20   HG13  ILE   2          1HG1      ILE   2  21.735   4.603   8.514
   21   HG21  ILE   2          1HG2      ILE   2  22.152   5.280  12.133
   22   HG22  ILE   2          2HG2      ILE   2  23.907   5.462  12.126
   23   HG23  ILE   2          3HG2      ILE   2  23.186   3.868  11.930
   24   HD11  ILE   2          3HD1      ILE   2  22.892   2.535   9.313
   25   HD12  ILE   2          1HD1      ILE   2  21.138   2.370   9.242
   26   HD13  ILE   2          2HD1      ILE   2  21.937   2.616  10.794
   27    H    SER   3           H        SER   3  25.053   6.531   8.418
   28    HA   SER   3           HA       SER   3  23.779   6.495   5.822
   29    HB2  SER   3           2HB      SER   3  25.330   8.973   6.632
   30    HB3  SER   3           1HB      SER   3  24.684   8.633   5.028
   31    HG   SER   3           HG       SER   3  22.594   8.534   6.053
   32    H    LEU   4           H        LEU   4  26.615   6.673   7.835
   33    HA   LEU   4           HA       LEU   4  28.580   6.266   5.811
   34    HB2  LEU   4           2HB      LEU   4  28.864   7.049   8.282
   35    HB3  LEU   4           1HB      LEU   4  28.841   5.344   8.694
   36    HG   LEU   4           HG       LEU   4  30.726   5.224   6.723
   37   HD11  LEU   4          1HD1      LEU   4  30.561   7.649   6.204
   38   HD12  LEU   4          2HD1      LEU   4  32.176   7.194   6.738
   39   HD13  LEU   4          3HD1      LEU   4  31.085   8.024   7.846
   40   HD21  LEU   4          3HD2      LEU   4  31.106   4.497   9.053
   41   HD22  LEU   4          1HD2      LEU   4  31.323   6.176   9.550
   42   HD23  LEU   4          2HD2      LEU   4  32.485   5.419   8.460
   43    H    ARG   5           H        ARG   5  29.494   4.373   5.014
   44    HA   ARG   5           HA       ARG   5  29.505   2.194   4.266
   45    HB2  ARG   5           2HB      ARG   5  28.875   1.731   7.202
   46    HB3  ARG   5           1HB      ARG   5  29.301   0.439   6.079
   47    HG2  ARG   5           2HG      ARG   5  31.472   1.508   5.636
   48    HG3  ARG   5           1HG      ARG   5  31.054   2.831   6.718
   49    HD2  ARG   5           2HD      ARG   5  32.472   1.210   7.893
   50    HD3  ARG   5           1HD      ARG   5  30.858   1.229   8.600
   51    HE   ARG   5           HE       ARG   5  30.981  -0.753   6.571
   52   HH11  ARG   5          1HH2      ARG   5  32.168  -0.043   9.755
   53   HH12  ARG   5          2HH2      ARG   5  32.282  -1.704  10.229
   54   HH21  ARG   5          1HH1      ARG   5  31.126  -2.928   7.197
   55   HH22  ARG   5          2HH1      ARG   5  31.691  -3.336   8.783
   56    H    LYS   6           H        LYS   6  27.052   1.486   6.700
   57    HA   LYS   6           HA       LYS   6  25.323   0.195   4.861
   58    HB2  LYS   6           2HB      LYS   6  24.758   1.317   7.627
   59    HB3  LYS   6           1HB      LYS   6  23.692   0.221   6.744
   60    HG2  LYS   6           2HG      LYS   6  25.478  -1.485   6.690
   61    HG3  LYS   6           1HG      LYS   6  26.550  -0.392   7.570
   62    HD2  LYS   6           2HD      LYS   6  24.935  -0.366   9.467
   63    HD3  LYS   6           1HD      LYS   6  23.910  -1.504   8.589
   64    HE2  LYS   6           2HE      LYS   6  26.770  -2.007   9.474
   65    HE3  LYS   6           1HE      LYS   6  25.323  -2.705  10.205
   66    HZ1  LYS   6           3HZ      LYS   6  26.742  -3.546   7.901
   67    HZ2  LYS   6           1HZ      LYS   6  25.129  -3.205   7.501
   68    HZ3  LYS   6           2HZ      LYS   6  25.480  -4.327   8.727
   69    H    LEU   7           H        LEU   7  23.711   0.960   3.622
   70    HA   LEU   7           HA       LEU   7  23.033   3.861   3.713
   71    HB2  LEU   7           2HB      LEU   7  22.756   1.919   1.387
   72    HB3  LEU   7           1HB      LEU   7  22.545   3.670   1.343
   73    HG   LEU   7           HG       LEU   7  25.146   2.203   1.938
   74   HD11  LEU   7          1HD1      LEU   7  25.864   3.100  -0.250
   75   HD12  LEU   7          2HD1      LEU   7  24.267   3.813  -0.484
   76   HD13  LEU   7          3HD1      LEU   7  24.451   2.059  -0.424
   77   HD21  LEU   7          3HD2      LEU   7  24.452   5.170   1.878
   78   HD22  LEU   7          1HD2      LEU   7  26.105   4.606   1.619
   79   HD23  LEU   7          2HD2      LEU   7  25.298   4.267   3.138
   80    H    SER   8           H        SER   8  20.899   4.452   3.407
   81    HA   SER   8           HA       SER   8  18.779   2.433   3.487
   82    HB2  SER   8           2HB      SER   8  19.296   2.664   5.862
   83    HB3  SER   8           1HB      SER   8  19.205   4.418   5.735
   84    HG   SER   8           HG       SER   8  17.019   4.186   5.154
   85    H    LYS   9           H        LYS   9  16.833   3.217   2.809
   86    HA   LYS   9           HA       LYS   9  16.450   6.077   2.267
   87    HB2  LYS   9           2HB      LYS   9  16.526   3.969   0.080
   88    HB3  LYS   9           1HB      LYS   9  15.842   5.577  -0.130
   89    HG2  LYS   9           2HG      LYS   9  18.068   6.563   0.479
   90    HG3  LYS   9           1HG      LYS   9  18.723   4.939   0.585
   91    HD2  LYS   9           2HD      LYS   9  19.348   5.565  -1.596
   92    HD3  LYS   9           1HD      LYS   9  17.879   4.639  -1.877
   93    HE2  LYS   9           2HE      LYS   9  16.579   6.736  -2.068
   94    HE3  LYS   9           1HE      LYS   9  18.024   7.676  -1.697
   95    HZ1  LYS   9           3HZ      LYS   9  17.630   7.572  -4.069
   96    HZ2  LYS   9           1HZ      LYS   9  17.666   5.877  -4.030
   97    HZ3  LYS   9           2HZ      LYS   9  19.072   6.763  -3.673
   98    H    SER  10           H        SER  10  14.301   6.443   1.340
   99    HA   SER  10           HA       SER  10  12.288   4.598   2.541
  100    HB2  SER  10           2HB      SER  10  12.048   7.558   1.930
  101    HB3  SER  10           1HB      SER  10  10.855   6.549   2.745
  102    HG   SER  10           HG       SER  10  11.979   6.688   4.516
  103    H    VAL  11           H        VAL  11  10.685   3.816   1.328
  104    HA   VAL  11           HA       VAL  11  10.376   4.640  -1.517
  105    HB   VAL  11           HB       VAL  11   9.922   2.093  -1.892
  106   HG11  VAL  11          1HG1      VAL  11  12.324   1.668  -2.291
  107   HG12  VAL  11          2HG1      VAL  11  12.742   3.067  -1.308
  108   HG13  VAL  11          3HG1      VAL  11  11.877   3.280  -2.828
  109   HG21  VAL  11          3HG2      VAL  11   9.952   1.521   0.579
  110   HG22  VAL  11          1HG2      VAL  11  11.667   1.914   0.606
  111   HG23  VAL  11          2HG2      VAL  11  11.079   0.575  -0.376
  112    HA   PRO  12           HA       PRO  12   6.257   4.907   0.599
  113    HB2  PRO  12           2HB      PRO  12   5.672   6.365  -1.996
  114    HB3  PRO  12           1HB      PRO  12   5.223   6.821  -0.335
  115    HG2  PRO  12           2HG      PRO  12   7.208   8.095  -1.526
  116    HG3  PRO  12           1HG      PRO  12   7.402   7.572   0.166
  117    HD2  PRO  12           2HD      PRO  12   8.490   6.226  -2.338
  118    HD3  PRO  12           1HD      PRO  12   9.318   6.577  -0.793
  119    H    VAL  13           H        VAL  13   4.409   3.708   0.284
  120    HA   VAL  13           HA       VAL  13   4.395   1.790  -1.983
  121    HB   VAL  13           HB       VAL  13   4.313   0.870   0.319
  122   HG11  VAL  13          1HG1      VAL  13   1.593   2.220   0.551
  123   HG12  VAL  13          2HG1      VAL  13   3.052   2.755   1.374
  124   HG13  VAL  13          3HG1      VAL  13   2.364   1.183   1.748
  125   HG21  VAL  13          3HG2      VAL  13   1.711   0.467  -1.214
  126   HG22  VAL  13          1HG2      VAL  13   2.410  -0.640  -0.041
  127   HG23  VAL  13          2HG2      VAL  13   3.236  -0.345  -1.568
  128    H    LYS  14           H        LYS  14   2.692   1.630  -3.368
  129    HA   LYS  14           HA       LYS  14   0.519   3.681  -3.198
  130    HB2  LYS  14           2HB      LYS  14   1.980   2.596  -5.632
  131    HB3  LYS  14           1HB      LYS  14   0.577   3.665  -5.693
  132    HG2  LYS  14           2HG      LYS  14   1.831   5.381  -4.419
  133    HG3  LYS  14           1HG      LYS  14   3.238   4.318  -4.376
  134    HD2  LYS  14           2HD      LYS  14   3.366   4.353  -6.835
  135    HD3  LYS  14           1HD      LYS  14   1.935   5.383  -6.905
  136    HE2  LYS  14           2HE      LYS  14   3.990   6.730  -7.117
  137    HE3  LYS  14           1HE      LYS  14   3.133   7.134  -5.629
  138    HZ1  LYS  14           3HZ      LYS  14   4.687   6.099  -4.340
  139    HZ2  LYS  14           1HZ      LYS  14   5.680   6.637  -5.605
  140    HZ3  LYS  14           2HZ      LYS  14   5.164   5.019  -5.561
  141    H    LEU  15           H        LEU  15  -1.493   2.918  -3.334
  142    HA   LEU  15           HA       LEU  15  -1.939   0.005  -3.717
  143    HB2  LEU  15           2HB      LEU  15  -3.794   2.147  -2.608
  144    HB3  LEU  15           1HB      LEU  15  -4.084   0.407  -2.604
  145    HG   LEU  15           HG       LEU  15  -1.806   1.807  -1.146
  146   HD11  LEU  15          1HD1      LEU  15  -4.013   2.293  -0.152
  147   HD12  LEU  15          2HD1      LEU  15  -3.077   1.232   0.902
  148   HD13  LEU  15          3HD1      LEU  15  -4.375   0.566  -0.092
  149   HD21  LEU  15          3HD2      LEU  15  -1.714  -0.538   0.029
  150   HD22  LEU  15          1HD2      LEU  15  -1.018  -0.405  -1.577
  151   HD23  LEU  15          2HD2      LEU  15  -2.616  -1.124  -1.368
  152    H    GLU  16           H        GLU  16  -2.879  -0.718  -5.508
  153    HA   GLU  16           HA       GLU  16  -4.195   1.208  -7.389
  154    HB2  GLU  16           2HB      GLU  16  -2.753  -1.412  -7.933
  155    HB3  GLU  16           1HB      GLU  16  -3.547  -0.411  -9.149
  156    HG2  GLU  16           2HG      GLU  16  -2.032   1.462  -8.612
  157    HG3  GLU  16           1HG      GLU  16  -1.241   0.478  -7.384
  158    H    LEU  17           H        LEU  17  -6.356   1.012  -7.183
  159    HA   LEU  17           HA       LEU  17  -7.682  -1.312  -6.160
  160    HB2  LEU  17           2HB      LEU  17  -8.874   1.003  -7.739
  161    HB3  LEU  17           1HB      LEU  17  -9.731  -0.088  -6.648
  162    HG   LEU  17           HG       LEU  17  -7.553   1.880  -5.844
  163   HD11  LEU  17          1HD1      LEU  17  -9.676   2.971  -6.455
  164   HD12  LEU  17          2HD1      LEU  17  -9.400   3.081  -4.716
  165   HD13  LEU  17          3HD1      LEU  17 -10.549   1.905  -5.353
  166   HD21  LEU  17          3HD2      LEU  17  -9.144  -0.164  -4.241
  167   HD22  LEU  17          1HD2      LEU  17  -8.434   1.257  -3.470
  168   HD23  LEU  17          2HD2      LEU  17  -7.398   0.089  -4.267
  169    H    THR  18           H        THR  18  -8.257  -3.103  -7.213
  170    HA   THR  18           HA       THR  18  -8.582  -3.074 -10.182
  171    HB   THR  18           HB       THR  18  -7.538  -5.306 -10.256
  172    HG1  THR  18           1HG      THR  18  -7.531  -6.285  -8.405
  173   HG21  THR  18          3HG2      THR  18  -5.757  -3.291  -8.845
  174   HG22  THR  18          1HG2      THR  18  -6.142  -3.246 -10.565
  175   HG23  THR  18          2HG2      THR  18  -5.229  -4.599  -9.902
  176    H    GLY  19           H        GLY  19 -10.162  -4.356 -10.987
  177    HA2  GLY  19           2HA      GLY  19 -11.751  -6.203 -10.779
  178    HA3  GLY  19           1HA      GLY  19 -11.992  -5.773  -9.089
  179    H    ASP  20           H        ASP  20 -14.196  -6.009 -10.627
  180    HA   ASP  20           HA       ASP  20 -15.024  -3.408 -11.702
  181    HB2  ASP  20           2HB      ASP  20 -17.166  -4.573 -12.139
  182    HB3  ASP  20           1HB      ASP  20 -15.797  -5.454 -12.810
  183    H    LYS  21           H        LYS  21 -16.168  -1.891 -10.581
  184    HA   LYS  21           HA       LYS  21 -16.431  -2.035  -7.755
  185    HB2  LYS  21           2HB      LYS  21 -17.715  -0.170  -9.784
  186    HB3  LYS  21           1HB      LYS  21 -17.760   0.079  -8.038
  187    HG2  LYS  21           2HG      LYS  21 -15.284   0.142  -7.990
  188    HG3  LYS  21           1HG      LYS  21 -15.247  -0.083  -9.740
  189    HD2  LYS  21           2HD      LYS  21 -16.499   2.026 -10.042
  190    HD3  LYS  21           1HD      LYS  21 -16.543   2.253  -8.294
  191    HE2  LYS  21           2HE      LYS  21 -14.071   2.326  -8.240
  192    HE3  LYS  21           1HE      LYS  21 -14.030   2.110  -9.991
  193    HZ1  LYS  21           3HZ      LYS  21 -15.606   4.163  -9.936
  194    HZ2  LYS  21           1HZ      LYS  21 -13.927   4.372  -9.819
  195    HZ3  LYS  21           2HZ      LYS  21 -14.888   4.436  -8.420
  196    H    ALA  22           H        ALA  22 -18.114  -2.666  -6.470
  197    HA   ALA  22           HA       ALA  22 -20.176  -4.319  -7.569
  198    HB1  ALA  22           1HB      ALA  22 -19.247  -4.689  -5.311
  199    HB2  ALA  22           2HB      ALA  22 -20.998  -4.491  -5.269
  200    HB3  ALA  22           3HB      ALA  22 -19.951  -3.168  -4.772
  201    H    SER  23           H        SER  23 -22.489  -3.956  -6.715
  202    HA   SER  23           HA       SER  23 -23.459  -1.510  -7.988
  203    HB2  SER  23           2HB      SER  23 -24.860  -3.911  -6.807
  204    HB3  SER  23           1HB      SER  23 -25.695  -2.571  -7.592
  205    HG   SER  23           HG       SER  23 -24.465  -3.017  -9.463
  206    H    ASN  24           H        ASN  24 -22.903  -2.640  -4.740
  207    HA   ASN  24           HA       ASN  24 -24.716  -0.710  -3.491
  208    HB2  ASN  24           2HB      ASN  24 -24.558  -2.915  -2.514
  209    HB3  ASN  24           1HB      ASN  24 -22.804  -2.819  -2.463
  210   HD21  ASN  24          1HD2      ASN  24 -21.860  -1.904  -0.635
  211   HD22  ASN  24          2HD2      ASN  24 -22.731  -1.171   0.611
  212    H    VAL  25           H        VAL  25 -21.389  -0.914  -4.468
  213    HA   VAL  25           HA       VAL  25 -20.546   1.266  -2.651
  214    HB   VAL  25           HB       VAL  25 -19.162  -0.825  -2.986
  215   HG11  VAL  25          1HG1      VAL  25 -18.395   0.356  -5.685
  216   HG12  VAL  25          2HG1      VAL  25 -19.592  -0.920  -5.525
  217   HG13  VAL  25          3HG1      VAL  25 -17.932  -1.207  -5.015
  218   HG21  VAL  25          3HG2      VAL  25 -17.862   1.808  -3.765
  219   HG22  VAL  25          1HG2      VAL  25 -17.016   0.391  -3.145
  220   HG23  VAL  25          2HG2      VAL  25 -18.160   1.248  -2.118
  221    H    SER  26           H        SER  26 -20.416   3.324  -3.313
  222    HA   SER  26           HA       SER  26 -20.773   3.990  -6.194
  223    HB2  SER  26           2HB      SER  26 -22.426   4.941  -4.649
  224    HB3  SER  26           1HB      SER  26 -21.137   5.677  -3.702
  225    HG   SER  26           HG       SER  26 -21.250   7.257  -5.071
  226    H    SER  27           H        SER  27 -18.611   4.261  -3.468
  227    HA   SER  27           HA       SER  27 -16.413   5.118  -5.153
  228    HB2  SER  27           2HB      SER  27 -17.466   7.292  -4.676
  229    HB3  SER  27           1HB      SER  27 -17.416   6.947  -2.951
  230    HG   SER  27           HG       SER  27 -15.569   8.107  -4.319
  231    H    ILE  28           H        ILE  28 -14.387   4.944  -4.080
  232    HA   ILE  28           HA       ILE  28 -14.401   3.592  -1.421
  233    HB   ILE  28           HB       ILE  28 -12.728   2.827  -3.846
  234   HG12  ILE  28          2HG1      ILE  28 -14.889   1.232  -2.402
  235   HG13  ILE  28          1HG1      ILE  28 -15.186   2.119  -3.894
  236   HG21  ILE  28          1HG2      ILE  28 -11.450   2.490  -1.771
  237   HG22  ILE  28          2HG2      ILE  28 -11.992   0.921  -2.333
  238   HG23  ILE  28          3HG2      ILE  28 -12.835   1.711  -1.005
  239   HD11  ILE  28          3HD1      ILE  28 -13.194  -0.132  -3.543
  240   HD12  ILE  28          1HD1      ILE  28 -13.441   0.779  -5.031
  241   HD13  ILE  28          2HD1      ILE  28 -14.735  -0.237  -4.390
  242    H    SER  29           H        SER  29 -12.928   4.324  -0.038
  243    HA   SER  29           HA       SER  29 -10.685   6.056  -0.954
  244    HB2  SER  29           2HB      SER  29 -11.139   7.492   1.073
  245    HB3  SER  29           1HB      SER  29 -12.398   7.591  -0.157
  246    HG   SER  29           HG       SER  29 -13.166   7.282   2.020
  247    H    TYR  30           H        TYR  30  -8.909   6.068   0.479
  248    HA   TYR  30           HA       TYR  30  -8.844   4.135   2.694
  249    HB2  TYR  30           2HB      TYR  30  -6.869   2.983   1.766
  250    HB3  TYR  30           1HB      TYR  30  -8.280   2.769   0.734
  251    HD1  TYR  30           1HD      TYR  30  -5.029   4.535   1.084
  252    HD2  TYR  30           2HD      TYR  30  -8.399   3.816  -1.493
  253    HE1  TYR  30           1HE      TYR  30  -3.801   5.548  -0.815
  254    HE2  TYR  30           2HE      TYR  30  -7.162   4.829  -3.387
  255    HH   TYR  30           HH       TYR  30  -3.788   5.868  -3.035
  256    H    SER  31           H        SER  31  -6.923   4.300   3.974
  257    HA   SER  31           HA       SER  31  -5.210   6.677   3.577
  258    HB2  SER  31           2HB      SER  31  -7.109   7.518   4.890
  259    HB3  SER  31           1HB      SER  31  -6.901   6.211   6.051
  260    HG   SER  31           HG       SER  31  -4.751   7.045   6.385
  261    H    PHE  32           H        PHE  32  -3.503   6.750   5.274
  262    HA   PHE  32           HA       PHE  32  -2.791   4.153   6.487
  263    HB2  PHE  32           2HB      PHE  32  -0.469   4.388   5.424
  264    HB3  PHE  32           1HB      PHE  32  -1.761   3.926   4.319
  265    HD1  PHE  32           1HD      PHE  32   0.200   6.874   5.558
  266    HD2  PHE  32           2HD      PHE  32  -2.314   5.342   2.419
  267    HE1  PHE  32           1HE      PHE  32   0.690   8.870   4.185
  268    HE2  PHE  32           2HE      PHE  32  -1.816   7.345   1.055
  269    HZ   PHE  32           HZ       PHE  32  -0.316   9.108   1.935
  270    H    ASP  33           H        ASP  33  -1.294   4.341   8.163
  271    HA   ASP  33           HA       ASP  33  -1.322   6.801   9.623
  272    HB2  ASP  33           2HB      ASP  33   0.319   4.275  10.003
  273    HB3  ASP  33           1HB      ASP  33   0.207   5.584  11.178
  274    H    ARG  34           H        ARG  34   1.008   5.239   7.489
  275    HA   ARG  34           HA       ARG  34   2.576   7.715   7.300
  276    HB2  ARG  34           2HB      ARG  34   4.712   6.515   7.741
  277    HB3  ARG  34           1HB      ARG  34   3.669   6.584   9.161
  278    HG2  ARG  34           2HG      ARG  34   2.865   4.268   8.646
  279    HG3  ARG  34           1HG      ARG  34   3.997   4.203   7.297
  280    HD2  ARG  34           2HD      ARG  34   4.811   4.664  10.182
  281    HD3  ARG  34           1HD      ARG  34   4.898   3.114   9.349
  282    HE   ARG  34           HE       ARG  34   6.270   5.000   7.788
  283   HH11  ARG  34          1HH2      ARG  34   6.486   3.450  10.888
  284   HH12  ARG  34          2HH2      ARG  34   8.214   3.537  10.958
  285   HH21  ARG  34          1HH1      ARG  34   8.527   5.111   7.885
  286   HH22  ARG  34          2HH1      ARG  34   9.369   4.478   9.259
  287    H    GLY  35           H        GLY  35   2.050   4.377   6.270
  288    HA2  GLY  35           2HA      GLY  35   2.234   3.374   4.214
  289    HA3  GLY  35           1HA      GLY  35   1.865   4.964   3.559
  290    H    HIS  36           H        HIS  36   4.710   4.493   5.532
  291    HA   HIS  36           HA       HIS  36   6.498   4.345   3.170
  292    HB2  HIS  36           2HB      HIS  36   6.941   6.302   5.467
  293    HB3  HIS  36           1HB      HIS  36   7.860   6.176   3.964
  294    HD2  HIS  36           2HD      HIS  36   5.811   8.807   5.066
  295    HE1  HIS  36           1HE      HIS  36   3.926   7.969   1.388
  296    HE2  HIS  36           2HE      HIS  36   4.176   9.689   3.234
  297    H    VAL  37           H        VAL  37   8.242   3.055   3.531
  298    HA   VAL  37           HA       VAL  37   8.854   2.114   6.298
  299    HB   VAL  37           HB       VAL  37   9.257  -0.155   5.324
  300   HG11  VAL  37          1HG1      VAL  37   6.885  -0.776   5.129
  301   HG12  VAL  37          2HG1      VAL  37   6.445   0.913   4.878
  302   HG13  VAL  37          3HG1      VAL  37   7.103   0.391   6.430
  303   HG21  VAL  37          3HG2      VAL  37   9.619   0.514   2.967
  304   HG22  VAL  37          1HG2      VAL  37   7.944   1.050   2.854
  305   HG23  VAL  37          2HG2      VAL  37   8.311  -0.659   3.077
  306    H    THR  38           H        THR  38  11.039   1.254   6.503
  307    HA   THR  38           HA       THR  38  12.964   2.742   4.802
  308    HB   THR  38           HB       THR  38  13.360   1.463   7.539
  309    HG1  THR  38           1HG      THR  38  11.869   3.156   7.627
  310   HG21  THR  38          3HG2      THR  38  14.998   3.477   5.959
  311   HG22  THR  38          1HG2      THR  38  15.453   1.802   6.271
  312   HG23  THR  38          2HG2      THR  38  15.347   2.951   7.603
  313    H    ILE  39           H        ILE  39  14.407   1.668   3.572
  314    HA   ILE  39           HA       ILE  39  14.589  -1.313   3.781
  315    HB   ILE  39           HB       ILE  39  15.029  -1.275   1.328
  316   HG12  ILE  39          2HG1      ILE  39  14.211   1.655   1.485
  317   HG13  ILE  39          1HG1      ILE  39  15.867   1.129   1.247
  318   HG21  ILE  39          1HG2      ILE  39  12.720  -1.611   2.254
  319   HG22  ILE  39          2HG2      ILE  39  12.709  -0.891   0.657
  320   HG23  ILE  39          3HG2      ILE  39  12.422   0.109   2.080
  321   HD11  ILE  39          3HD1      ILE  39  13.559   0.495  -0.599
  322   HD12  ILE  39          1HD1      ILE  39  15.242   0.032  -0.845
  323   HD13  ILE  39          2HD1      ILE  39  14.777   1.734  -0.873
  324    H    VAL  40           H        VAL  40  16.569  -2.257   3.580
  325    HA   VAL  40           HA       VAL  40  18.985  -0.506   3.471
  326    HB   VAL  40           HB       VAL  40  18.528  -2.787   5.434
  327   HG11  VAL  40          1HG1      VAL  40  20.826  -0.822   5.080
  328   HG12  VAL  40          2HG1      VAL  40  20.894  -2.564   4.819
  329   HG13  VAL  40          3HG1      VAL  40  20.661  -1.929   6.443
  330   HG21  VAL  40          3HG2      VAL  40  17.166  -0.822   6.014
  331   HG22  VAL  40          1HG2      VAL  40  18.576   0.226   5.856
  332   HG23  VAL  40          2HG2      VAL  40  18.507  -0.976   7.146
  333    H    GLY  41           H        GLY  41  20.567  -1.269   2.195
  334    HA2  GLY  41           2HA      GLY  41  21.368  -3.868   1.716
  335    HA3  GLY  41           1HA      GLY  41  20.122  -3.559   0.512
  336    H    SER  42           H        SER  42  21.814  -3.816  -1.088
  337    HA   SER  42           HA       SER  42  24.053  -2.007  -1.239
  338    HB2  SER  42           2HB      SER  42  24.409  -2.977  -3.444
  339    HB3  SER  42           1HB      SER  42  24.006  -4.265  -2.311
  340    HG   SER  42           HG       SER  42  22.846  -3.881  -4.535
  341    H    GLN  43           H        GLN  43  24.330  -0.274  -2.720
  342    HA   GLN  43           HA       GLN  43  22.098   1.448  -2.976
  343    HB2  GLN  43           2HB      GLN  43  24.691   1.956  -2.940
  344    HB3  GLN  43           1HB      GLN  43  24.592   1.766  -4.685
  345    HG2  GLN  43           2HG      GLN  43  22.986   3.728  -3.000
  346    HG3  GLN  43           1HG      GLN  43  24.334   4.131  -4.056
  347   HE21  GLN  43          1HE2      GLN  43  21.096   4.423  -4.009
  348   HE22  GLN  43          2HE2      GLN  43  20.737   4.205  -5.653
  349    H    GLU  44           H        GLU  44  23.642  -0.797  -5.222
  350    HA   GLU  44           HA       GLU  44  22.373  -0.007  -7.597
  351    HB2  GLU  44           2HB      GLU  44  23.322  -2.760  -6.729
  352    HB3  GLU  44           1HB      GLU  44  22.856  -2.341  -8.376
  353    HG2  GLU  44           2HG      GLU  44  25.261  -2.176  -8.242
  354    HG3  GLU  44           1HG      GLU  44  24.628  -0.540  -8.351
  355    H    ALA  45           H        ALA  45  21.440  -2.614  -5.353
  356    HA   ALA  45           HA       ALA  45  19.045  -3.310  -6.680
  357    HB1  ALA  45           1HB      ALA  45  19.741  -3.597  -3.742
  358    HB2  ALA  45           2HB      ALA  45  20.139  -4.755  -5.010
  359    HB3  ALA  45           3HB      ALA  45  18.453  -4.461  -4.588
  360    H    MET  46           H        MET  46  19.715  -1.003  -4.091
  361    HA   MET  46           HA       MET  46  17.006  -0.298  -3.540
  362    HB2  MET  46           2HB      MET  46  19.660   1.092  -3.048
  363    HB3  MET  46           1HB      MET  46  18.123   1.742  -2.475
  364    HG2  MET  46           2HG      MET  46  17.738  -0.190  -1.070
  365    HG3  MET  46           1HG      MET  46  19.074  -1.071  -1.800
  366    HE1  MET  46           3HE      MET  46  19.210   2.876  -0.630
  367    HE2  MET  46           1HE      MET  46  19.252   2.474   1.087
  368    HE3  MET  46           2HE      MET  46  17.902   1.945   0.094
  369    H    ASP  47           H        ASP  47  19.459   1.028  -5.750
  370    HA   ASP  47           HA       ASP  47  18.078   3.337  -6.536
  371    HB2  ASP  47           2HB      ASP  47  20.471   2.899  -6.989
  372    HB3  ASP  47           1HB      ASP  47  20.021   1.644  -8.136
  373    H    LYS  48           H        LYS  48  17.812  -0.018  -7.655
  374    HA   LYS  48           HA       LYS  48  16.255   0.542  -9.997
  375    HB2  LYS  48           2HB      LYS  48  16.631  -1.965  -8.323
  376    HB3  LYS  48           1HB      LYS  48  15.729  -1.932  -9.838
  377    HG2  LYS  48           2HG      LYS  48  17.728  -1.154 -11.041
  378    HG3  LYS  48           1HG      LYS  48  18.644  -1.129  -9.537
  379    HD2  LYS  48           2HD      LYS  48  18.298  -3.568  -9.284
  380    HD3  LYS  48           1HD      LYS  48  17.389  -3.591 -10.795
  381    HE2  LYS  48           2HE      LYS  48  19.381  -2.791 -12.014
  382    HE3  LYS  48           1HE      LYS  48  20.292  -2.752 -10.505
  383    HZ1  LYS  48           3HZ      LYS  48  19.235  -5.253 -10.558
  384    HZ2  LYS  48           1HZ      LYS  48  20.827  -4.844 -10.975
  385    HZ3  LYS  48           2HZ      LYS  48  19.642  -4.978 -12.185
  386    H    ILE  49           H        ILE  49  15.528  -0.078  -6.611
  387    HA   ILE  49           HA       ILE  49  12.629  -0.219  -7.047
  388    HB   ILE  49           HB       ILE  49  14.194  -0.112  -4.431
  389   HG12  ILE  49          2HG1      ILE  49  13.106  -2.575  -5.884
  390   HG13  ILE  49          1HG1      ILE  49  14.791  -2.085  -5.954
  391   HG21  ILE  49          1HG2      ILE  49  11.730   0.436  -4.285
  392   HG22  ILE  49          2HG2      ILE  49  12.144  -1.050  -3.446
  393   HG23  ILE  49          3HG2      ILE  49  11.374  -1.117  -5.029
  394   HD11  ILE  49          3HD1      ILE  49  14.501  -3.789  -4.231
  395   HD12  ILE  49          1HD1      ILE  49  13.269  -2.814  -3.434
  396   HD13  ILE  49          2HD1      ILE  49  14.940  -2.257  -3.484
  397    H    ASP  50           H        ASP  50  11.444   1.560  -7.242
  398    HA   ASP  50           HA       ASP  50  12.268   4.127  -5.936
  399    HB2  ASP  50           2HB      ASP  50  12.420   4.152  -8.417
  400    HB3  ASP  50           1HB      ASP  50  10.713   3.732  -8.515
  401    H    SER  51           H        SER  51   9.872   1.693  -6.252
  402    HA   SER  51           HA       SER  51   8.239   2.780  -4.182
  403    HB2  SER  51           2HB      SER  51   6.181   3.156  -5.537
  404    HB3  SER  51           1HB      SER  51   7.454   4.299  -5.944
  405    HG   SER  51           HG       SER  51   6.466   2.107  -7.388
  406    H    ILE  52           H        ILE  52   6.230   1.390  -3.901
  407    HA   ILE  52           HA       ILE  52   6.575  -1.366  -5.004
  408    HB   ILE  52           HB       ILE  52   5.852  -0.603  -2.153
  409   HG12  ILE  52          2HG1      ILE  52   8.329  -1.993  -3.271
  410   HG13  ILE  52          1HG1      ILE  52   8.285  -0.303  -2.780
  411   HG21  ILE  52          1HG2      ILE  52   5.980  -3.096  -1.781
  412   HG22  ILE  52          2HG2      ILE  52   6.172  -3.314  -3.517
  413   HG23  ILE  52          3HG2      ILE  52   4.674  -2.653  -2.867
  414   HD11  ILE  52          3HD1      ILE  52   9.208  -1.600  -0.966
  415   HD12  ILE  52          1HD1      ILE  52   7.843  -2.712  -1.008
  416   HD13  ILE  52          2HD1      ILE  52   7.606  -1.046  -0.483
  417    H    THR  53           H        THR  53   4.793  -2.119  -5.958
  418    HA   THR  53           HA       THR  53   2.179  -0.738  -5.559
  419    HB   THR  53           HB       THR  53   2.826  -0.693  -7.878
  420    HG1  THR  53           1HG      THR  53   0.667  -1.593  -7.126
  421   HG21  THR  53          3HG2      THR  53   3.418  -2.710  -9.140
  422   HG22  THR  53          1HG2      THR  53   3.258  -3.694  -7.692
  423   HG23  THR  53          2HG2      THR  53   4.541  -2.492  -7.803
  424    H    VAL  54           H        VAL  54   0.512  -1.802  -4.662
  425    HA   VAL  54           HA       VAL  54   0.631  -4.762  -4.304
  426    HB   VAL  54           HB       VAL  54  -0.227  -2.726  -2.210
  427   HG11  VAL  54          1HG1      VAL  54  -0.199  -4.729  -0.711
  428   HG12  VAL  54          2HG1      VAL  54   0.156  -5.747  -2.106
  429   HG13  VAL  54          3HG1      VAL  54  -1.385  -4.896  -2.004
  430   HG21  VAL  54          3HG2      VAL  54   1.857  -3.426  -1.032
  431   HG22  VAL  54          1HG2      VAL  54   2.206  -2.623  -2.560
  432   HG23  VAL  54          2HG2      VAL  54   2.318  -4.379  -2.438
  433    HA   PRO  55           HA       PRO  55  -3.422  -3.462  -6.243
  434    HB2  PRO  55           2HB      PRO  55  -3.348  -6.410  -6.942
  435    HB3  PRO  55           1HB      PRO  55  -3.803  -5.032  -7.971
  436    HG2  PRO  55           2HG      PRO  55  -1.444  -6.174  -8.323
  437    HG3  PRO  55           1HG      PRO  55  -1.556  -4.397  -8.309
  438    HD2  PRO  55           2HD      PRO  55  -0.653  -6.224  -6.052
  439    HD3  PRO  55           1HD      PRO  55   0.099  -4.717  -6.642
  440    H    VAL  56           H        VAL  56  -5.456  -3.667  -5.366
  441    HA   VAL  56           HA       VAL  56  -5.948  -5.731  -3.265
  442    HB   VAL  56           HB       VAL  56  -6.727  -2.792  -3.151
  443   HG11  VAL  56          1HG1      VAL  56  -7.426  -3.397  -0.804
  444   HG12  VAL  56          2HG1      VAL  56  -7.138  -5.092  -1.196
  445   HG13  VAL  56          3HG1      VAL  56  -8.402  -4.194  -2.036
  446   HG21  VAL  56          3HG2      VAL  56  -4.665  -4.378  -1.579
  447   HG22  VAL  56          1HG2      VAL  56  -5.117  -2.701  -1.265
  448   HG23  VAL  56          2HG2      VAL  56  -4.321  -3.130  -2.774
  449    H    ASP  57           H        ASP  57  -7.745  -6.837  -3.596
  450    HA   ASP  57           HA       ASP  57  -9.518  -6.275  -5.827
  451    HB2  ASP  57           2HB      ASP  57  -9.634  -8.379  -3.637
  452    HB3  ASP  57           1HB      ASP  57 -10.687  -8.338  -5.049
  453    H    ILE  58           H        ILE  58 -11.273  -4.974  -5.711
  454    HA   ILE  58           HA       ILE  58 -12.373  -4.170  -3.082
  455    HB   ILE  58           HB       ILE  58 -13.464  -2.358  -4.403
  456   HG12  ILE  58          2HG1      ILE  58 -11.812  -3.415  -6.741
  457   HG13  ILE  58          1HG1      ILE  58 -13.547  -3.649  -6.598
  458   HG21  ILE  58          1HG2      ILE  58 -10.462  -2.614  -4.812
  459   HG22  ILE  58          2HG2      ILE  58 -11.249  -2.006  -3.358
  460   HG23  ILE  58          3HG2      ILE  58 -11.371  -1.105  -4.865
  461   HD11  ILE  58          3HD1      ILE  58 -12.106  -0.993  -6.809
  462   HD12  ILE  58          1HD1      ILE  58 -13.836  -1.167  -6.515
  463   HD13  ILE  58          2HD1      ILE  58 -13.137  -1.737  -8.030
  464    H    SER  59           H        SER  59 -13.003  -6.284  -5.645
  465    HA   SER  59           HA       SER  59 -15.798  -6.111  -5.907
  466    HB2  SER  59           2HB      SER  59 -14.369  -7.394  -7.445
  467    HB3  SER  59           1HB      SER  59 -14.016  -8.550  -6.165
  468    HG   SER  59           HG       SER  59 -16.259  -8.243  -7.725
  469    H    GLN  60           H        GLN  60 -13.802  -7.948  -3.611
  470    HA   GLN  60           HA       GLN  60 -16.119  -9.191  -2.339
  471    HB2  GLN  60           2HB      GLN  60 -13.723 -10.194  -2.703
  472    HB3  GLN  60           1HB      GLN  60 -13.254  -9.236  -1.308
  473    HG2  GLN  60           2HG      GLN  60 -13.829 -11.421  -0.457
  474    HG3  GLN  60           1HG      GLN  60 -15.180 -10.377  -0.033
  475   HE21  GLN  60          1HE2      GLN  60 -14.255 -12.224  -3.004
  476   HE22  GLN  60          2HE2      GLN  60 -15.772 -12.965  -3.185
  477    H    VAL  61           H        VAL  61 -14.678  -6.169  -2.185
  478    HA   VAL  61           HA       VAL  61 -15.055  -5.736   0.712
  479    HB   VAL  61           HB       VAL  61 -14.145  -3.813  -1.461
  480   HG11  VAL  61          1HG1      VAL  61 -15.005  -2.626   0.511
  481   HG12  VAL  61          2HG1      VAL  61 -13.249  -2.516   0.492
  482   HG13  VAL  61          3HG1      VAL  61 -14.048  -3.654   1.577
  483   HG21  VAL  61          3HG2      VAL  61 -12.606  -5.738  -1.205
  484   HG22  VAL  61          1HG2      VAL  61 -12.544  -5.457   0.536
  485   HG23  VAL  61          2HG2      VAL  61 -11.875  -4.263  -0.577
  486    H    THR  62           H        THR  62 -17.149  -5.531   1.265
  487    HA   THR  62           HA       THR  62 -18.852  -3.553  -0.184
  488    HB   THR  62           HB       THR  62 -20.776  -5.018   0.148
  489    HG1  THR  62           1HG      THR  62 -20.648  -6.570   1.527
  490   HG21  THR  62          3HG2      THR  62 -19.430  -5.295  -1.919
  491   HG22  THR  62          1HG2      THR  62 -20.155  -6.819  -1.409
  492   HG23  THR  62          2HG2      THR  62 -18.447  -6.512  -1.105
  493    H    GLU  63           H        GLU  63 -17.266  -4.207   2.589
  494    HA   GLU  63           HA       GLU  63 -19.054  -2.499   4.192
  495    HB2  GLU  63           2HB      GLU  63 -19.669  -4.860   4.692
  496    HB3  GLU  63           1HB      GLU  63 -18.020  -5.149   5.225
  497    HG2  GLU  63           2HG      GLU  63 -18.266  -3.441   6.986
  498    HG3  GLU  63           1HG      GLU  63 -19.891  -3.071   6.421
  499    H    ASP  64           H        ASP  64 -17.973  -1.303   5.713
  500    HA   ASP  64           HA       ASP  64 -15.308  -0.550   5.329
  501    HB2  ASP  64           2HB      ASP  64 -16.898  -0.421   7.917
  502    HB3  ASP  64           1HB      ASP  64 -15.435   0.498   7.570
  503    H    THR  65           H        THR  65 -13.346  -1.303   6.009
  504    HA   THR  65           HA       THR  65 -12.988  -3.016   8.282
  505    HB   THR  65           HB       THR  65 -13.970  -4.697   6.799
  506    HG1  THR  65           1HG      THR  65 -12.205  -5.282   8.132
  507   HG21  THR  65          3HG2      THR  65 -13.395  -3.568   4.638
  508   HG22  THR  65          1HG2      THR  65 -12.955  -5.275   4.655
  509   HG23  THR  65          2HG2      THR  65 -11.713  -4.046   4.870
  510    H    SER  66           H        SER  66 -10.693  -4.205   7.860
  511    HA   SER  66           HA       SER  66  -8.766  -2.431   6.510
  512    HB2  SER  66           2HB      SER  66  -7.442  -2.148   8.606
  513    HB3  SER  66           1HB      SER  66  -9.014  -1.361   8.698
  514    HG   SER  66           HG       SER  66  -8.691  -4.024   9.552
  515    H    LYS  67           H        LYS  67  -6.785  -3.406   6.126
  516    HA   LYS  67           HA       LYS  67  -6.328  -6.172   7.083
  517    HB2  LYS  67           2HB      LYS  67  -5.829  -6.888   4.711
  518    HB3  LYS  67           1HB      LYS  67  -7.528  -6.539   5.023
  519    HG2  LYS  67           2HG      LYS  67  -7.334  -4.340   3.980
  520    HG3  LYS  67           1HG      LYS  67  -5.595  -4.535   3.795
  521    HD2  LYS  67           2HD      LYS  67  -6.679  -4.985   1.656
  522    HD3  LYS  67           1HD      LYS  67  -5.982  -6.475   2.281
  523    HE2  LYS  67           2HE      LYS  67  -8.139  -7.352   2.868
  524    HE3  LYS  67           1HE      LYS  67  -8.905  -5.763   2.759
  525    HZ1  LYS  67           3HZ      LYS  67  -9.101  -7.482   0.832
  526    HZ2  LYS  67           1HZ      LYS  67  -7.584  -6.865   0.387
  527    HZ3  LYS  67           2HZ      LYS  67  -8.922  -5.826   0.498
  528    H    THR  68           H        THR  68  -4.235  -6.775   7.184
  529    HA   THR  68           HA       THR  68  -2.214  -4.648   7.033
  530    HB   THR  68           HB       THR  68  -2.043  -5.976   9.020
  531    HG1  THR  68           1HG      THR  68  -0.095  -5.640   7.643
  532   HG21  THR  68          3HG2      THR  68  -2.122  -8.420   7.218
  533   HG22  THR  68          1HG2      THR  68  -3.382  -7.915   8.344
  534   HG23  THR  68          2HG2      THR  68  -1.819  -8.448   8.950
  535    H    LEU  69           H        LEU  69  -0.724  -4.454   5.463
  536    HA   LEU  69           HA       LEU  69  -0.554  -6.536   3.323
  537    HB2  LEU  69           2HB      LEU  69  -0.047  -3.544   3.123
  538    HB3  LEU  69           1HB      LEU  69  -0.050  -4.704   1.791
  539    HG   LEU  69           HG       LEU  69  -2.441  -3.975   3.524
  540   HD11  LEU  69          1HD1      LEU  69  -1.798  -3.323   0.626
  541   HD12  LEU  69          2HD1      LEU  69  -1.774  -2.180   1.969
  542   HD13  LEU  69          3HD1      LEU  69  -3.296  -2.908   1.460
  543   HD21  LEU  69          3HD2      LEU  69  -3.678  -5.276   1.608
  544   HD22  LEU  69          1HD2      LEU  69  -2.860  -6.217   2.846
  545   HD23  LEU  69          2HD2      LEU  69  -2.101  -5.992   1.269
  546    H    GLU  70           H        GLU  70   1.316  -7.589   3.273
  547    HA   GLU  70           HA       GLU  70   3.684  -6.570   4.648
  548    HB2  GLU  70           2HB      GLU  70   4.662  -8.773   4.063
  549    HB3  GLU  70           1HB      GLU  70   3.128  -8.923   4.916
  550    HG2  GLU  70           2HG      GLU  70   1.977  -9.243   2.711
  551    HG3  GLU  70           1HG      GLU  70   3.547  -9.200   1.915
  552    H    LEU  71           H        LEU  71   5.414  -5.669   3.709
  553    HA   LEU  71           HA       LEU  71   5.534  -5.448   0.727
  554    HB2  LEU  71           2HB      LEU  71   6.749  -3.550   2.776
  555    HB3  LEU  71           1HB      LEU  71   6.581  -3.294   1.037
  556    HG   LEU  71           HG       LEU  71   4.312  -3.484   3.063
  557   HD11  LEU  71          1HD1      LEU  71   5.571  -1.371   3.162
  558   HD12  LEU  71          2HD1      LEU  71   3.966  -1.096   2.493
  559   HD13  LEU  71          3HD1      LEU  71   5.368  -1.153   1.425
  560   HD21  LEU  71          3HD2      LEU  71   2.893  -2.731   1.074
  561   HD22  LEU  71          1HD2      LEU  71   3.456  -4.390   0.994
  562   HD23  LEU  71          2HD2      LEU  71   4.257  -3.143   0.035
  563    H    LYS  72           H        LYS  72   7.044  -6.739  -0.086
  564    HA   LYS  72           HA       LYS  72   9.688  -7.012   1.259
  565    HB2  LYS  72           2HB      LYS  72   8.013  -9.226   0.022
  566    HB3  LYS  72           1HB      LYS  72   9.680  -9.410   0.573
  567    HG2  LYS  72           2HG      LYS  72   8.996  -8.791   2.867
  568    HG3  LYS  72           1HG      LYS  72   7.328  -8.602   2.320
  569    HD2  LYS  72           2HD      LYS  72   7.299 -10.999   1.639
  570    HD3  LYS  72           1HD      LYS  72   8.947 -11.175   2.244
  571    HE2  LYS  72           2HE      LYS  72   6.530 -10.375   3.898
  572    HE3  LYS  72           1HE      LYS  72   7.319 -11.952   3.924
  573    HZ1  LYS  72           3HZ      LYS  72   9.375 -10.822   4.617
  574    HZ2  LYS  72           1HZ      LYS  72   8.119 -10.634   5.740
  575    HZ3  LYS  72           2HZ      LYS  72   8.526  -9.353   4.701
  576    H    ALA  73           H        ALA  73  11.420  -7.337  -0.153
  577    HA   ALA  73           HA       ALA  73  10.989  -7.251  -3.067
  578    HB1  ALA  73           1HB      ALA  73  12.487  -5.286  -3.296
  579    HB2  ALA  73           2HB      ALA  73  12.521  -5.124  -1.539
  580    HB3  ALA  73           3HB      ALA  73  11.013  -4.882  -2.415
  581    H    GLU  74           H        GLU  74  12.696  -8.129  -4.210
  582    HA   GLU  74           HA       GLU  74  14.609  -9.707  -2.663
  583    HB2  GLU  74           2HB      GLU  74  14.039  -9.517  -5.640
  584    HB3  GLU  74           1HB      GLU  74  15.183 -10.647  -4.912
  585    HG2  GLU  74           2HG      GLU  74  13.375 -11.634  -3.562
  586    HG3  GLU  74           1HG      GLU  74  12.220 -10.497  -4.251
  587    H    GLY  75           H        GLY  75  16.489  -8.952  -2.070
  588    HA2  GLY  75           2HA      GLY  75  18.740  -8.333  -2.849
  589    HA3  GLY  75           1HA      GLY  75  18.019  -7.061  -3.819
  590    H    VAL  76           H        VAL  76  16.126  -6.674  -1.347
  591    HA   VAL  76           HA       VAL  76  18.019  -5.232   0.445
  592    HB   VAL  76           HB       VAL  76  16.485  -3.313   0.497
  593   HG11  VAL  76          1HG1      VAL  76  16.954  -2.442  -1.761
  594   HG12  VAL  76          2HG1      VAL  76  17.281  -4.079  -2.333
  595   HG13  VAL  76          3HG1      VAL  76  18.343  -3.331  -1.141
  596   HG21  VAL  76          3HG2      VAL  76  14.948  -4.845  -1.641
  597   HG22  VAL  76          1HG2      VAL  76  14.649  -3.159  -1.217
  598   HG23  VAL  76          2HG2      VAL  76  14.352  -4.427  -0.033
  599    H    THR  77           H        THR  77  17.066  -4.736   2.549
  600    HA   THR  77           HA       THR  77  15.153  -6.848   3.432
  601    HB   THR  77           HB       THR  77  17.072  -5.144   5.076
  602    HG1  THR  77           1HG      THR  77  17.574  -7.140   3.465
  603   HG21  THR  77          3HG2      THR  77  15.436  -7.616   5.757
  604   HG22  THR  77          1HG2      THR  77  15.154  -5.989   6.380
  605   HG23  THR  77          2HG2      THR  77  16.621  -6.859   6.820
  606    H    VAL  78           H        VAL  78  13.112  -6.077   3.474
  607    HA   VAL  78           HA       VAL  78  12.572  -3.230   4.005
  608    HB   VAL  78           HB       VAL  78  10.544  -5.438   3.434
  609   HG11  VAL  78          1HG1      VAL  78  10.503  -2.435   2.952
  610   HG12  VAL  78          2HG1      VAL  78   9.644  -3.278   4.239
  611   HG13  VAL  78          3HG1      VAL  78   9.202  -3.558   2.556
  612   HG21  VAL  78          3HG2      VAL  78  10.713  -4.785   1.037
  613   HG22  VAL  78          1HG2      VAL  78  12.203  -5.512   1.627
  614   HG23  VAL  78          2HG2      VAL  78  12.095  -3.770   1.426
  615    H    GLN  79           H        GLN  79  11.958  -2.486   5.981
  616    HA   GLN  79           HA       GLN  79  10.614  -4.278   7.876
  617    HB2  GLN  79           2HB      GLN  79  12.234  -3.642   9.706
  618    HB3  GLN  79           1HB      GLN  79  12.908  -4.704   8.468
  619    HG2  GLN  79           2HG      GLN  79  13.941  -2.775   7.341
  620    HG3  GLN  79           1HG      GLN  79  13.245  -1.684   8.538
  621   HE21  GLN  79          1HE2      GLN  79  16.138  -2.949   7.810
  622   HE22  GLN  79          2HE2      GLN  79  16.783  -3.183   9.362
  623    HA   PRO  80           HA       PRO  80   9.711  -4.011  10.105
  624    HB2  PRO  80           2HB      PRO  80   7.180  -3.476  10.975
  625    HB3  PRO  80           1HB      PRO  80   8.589  -2.659  11.689
  626    HG2  PRO  80           2HG      PRO  80   6.757  -1.662   9.509
  627    HG3  PRO  80           1HG      PRO  80   7.265  -0.827  10.998
  628    HD2  PRO  80           2HD      PRO  80   8.529  -0.340   8.630
  629    HD3  PRO  80           1HD      PRO  80   9.441  -0.371  10.158
  630    H    SER  81           H        SER  81   8.604  -2.793   7.275
  631    HA   SER  81           HA       SER  81   7.514  -3.594   5.436
  632    HB2  SER  81           2HB      SER  81   9.141  -5.354   5.442
  633    HB3  SER  81           1HB      SER  81   8.365  -6.172   6.783
  634    HG   SER  81           HG       SER  81   7.996  -6.691   4.312
  635    H    THR  82           H        THR  82   5.954  -3.165   8.013
  636    HA   THR  82           HA       THR  82   3.450  -4.472   7.105
  637    HB   THR  82           HB       THR  82   2.854  -4.814   9.537
  638    HG1  THR  82           1HG      THR  82   4.461  -3.341  10.317
  639   HG21  THR  82          3HG2      THR  82   3.669  -6.696   8.163
  640   HG22  THR  82          1HG2      THR  82   4.217  -6.843   9.833
  641   HG23  THR  82          2HG2      THR  82   5.334  -6.286   8.587
  642    H    VAL  83           H        VAL  83   1.727  -3.160   7.198
  643    HA   VAL  83           HA       VAL  83   1.747  -0.637   8.716
  644    HB   VAL  83           HB       VAL  83   1.093   0.677   6.675
  645   HG11  VAL  83          1HG1      VAL  83   3.462   0.665   7.549
  646   HG12  VAL  83          2HG1      VAL  83   3.348   0.995   5.823
  647   HG13  VAL  83          3HG1      VAL  83   3.845  -0.598   6.379
  648   HG21  VAL  83          3HG2      VAL  83   1.988  -1.839   5.212
  649   HG22  VAL  83          1HG2      VAL  83   1.638  -0.293   4.439
  650   HG23  VAL  83          2HG2      VAL  83   0.351  -1.186   5.243
  651    H    LYS  84           H        LYS  84  -0.384   0.279   8.901
  652    HA   LYS  84           HA       LYS  84  -2.562  -1.701   8.494
  653    HB2  LYS  84           2HB      LYS  84  -2.302   0.702  10.329
  654    HB3  LYS  84           1HB      LYS  84  -3.750  -0.298  10.212
  655    HG2  LYS  84           2HG      LYS  84  -1.066  -1.581  10.844
  656    HG3  LYS  84           1HG      LYS  84  -1.995  -0.814  12.124
  657    HD2  LYS  84           2HD      LYS  84  -3.915  -2.296  11.633
  658    HD3  LYS  84           1HD      LYS  84  -3.001  -3.075  10.349
  659    HE2  LYS  84           2HE      LYS  84  -2.908  -4.403  12.424
  660    HE3  LYS  84           1HE      LYS  84  -1.307  -3.811  11.980
  661    HZ1  LYS  84           3HZ      LYS  84  -1.219  -2.460  13.753
  662    HZ2  LYS  84           1HZ      LYS  84  -2.382  -3.512  14.400
  663    HZ3  LYS  84           2HZ      LYS  84  -2.866  -2.053  13.675
  664    H    VAL  85           H        VAL  85  -4.146  -1.270   7.161
  665    HA   VAL  85           HA       VAL  85  -4.498   1.476   6.038
  666    HB   VAL  85           HB       VAL  85  -4.670  -1.138   4.506
  667   HG11  VAL  85          1HG1      VAL  85  -4.781   0.367   2.522
  668   HG12  VAL  85          2HG1      VAL  85  -4.835   1.755   3.608
  669   HG13  VAL  85          3HG1      VAL  85  -6.154   0.589   3.598
  670   HG21  VAL  85          3HG2      VAL  85  -2.339  -0.631   5.104
  671   HG22  VAL  85          1HG2      VAL  85  -2.525   1.014   4.495
  672   HG23  VAL  85          2HG2      VAL  85  -2.594  -0.354   3.384
  673    H    ASN  86           H        ASN  86  -6.475   2.220   6.299
  674    HA   ASN  86           HA       ASN  86  -8.727   0.375   6.952
  675    HB2  ASN  86           2HB      ASN  86  -9.828   2.442   7.791
  676    HB3  ASN  86           1HB      ASN  86  -8.306   2.116   8.613
  677   HD21  ASN  86          1HD2      ASN  86  -6.710   3.736   8.542
  678   HD22  ASN  86          2HD2      ASN  86  -6.830   5.143   7.600
  679    H    LEU  87           H        LEU  87 -10.206   0.009   5.425
  680    HA   LEU  87           HA       LEU  87 -10.341   1.738   3.002
  681    HB2  LEU  87           2HB      LEU  87 -11.339  -1.114   3.394
  682    HB3  LEU  87           1HB      LEU  87 -11.235  -0.226   1.873
  683    HG   LEU  87           HG       LEU  87  -8.864  -1.039   3.603
  684   HD11  LEU  87          1HD1      LEU  87  -9.964  -2.958   2.495
  685   HD12  LEU  87          2HD1      LEU  87  -8.383  -2.637   1.781
  686   HD13  LEU  87          3HD1      LEU  87  -9.848  -2.127   0.943
  687   HD21  LEU  87          3HD2      LEU  87  -8.234   0.958   2.400
  688   HD22  LEU  87          1HD2      LEU  87  -9.045   0.419   0.930
  689   HD23  LEU  87          2HD2      LEU  87  -7.566  -0.373   1.477
  690    H    LYS  88           H        LYS  88 -11.951   3.203   3.201
  691    HA   LYS  88           HA       LYS  88 -14.402   2.545   4.713
  692    HB2  LYS  88           2HB      LYS  88 -13.441   5.135   3.450
  693    HB3  LYS  88           1HB      LYS  88 -14.875   4.949   4.458
  694    HG2  LYS  88           2HG      LYS  88 -13.434   4.186   6.334
  695    HG3  LYS  88           1HG      LYS  88 -12.010   4.415   5.314
  696    HD2  LYS  88           2HD      LYS  88 -12.543   6.819   5.099
  697    HD3  LYS  88           1HD      LYS  88 -13.967   6.597   6.115
  698    HE2  LYS  88           2HE      LYS  88 -12.525   5.855   7.981
  699    HE3  LYS  88           1HE      LYS  88 -11.098   6.078   6.966
  700    HZ1  LYS  88           3HZ      LYS  88 -11.931   7.957   8.568
  701    HZ2  LYS  88           1HZ      LYS  88 -12.953   8.323   7.264
  702    HZ3  LYS  88           2HZ      LYS  88 -11.268   8.330   7.047
  703    H    VAL  89           H        VAL  89 -16.186   1.923   3.653
  704    HA   VAL  89           HA       VAL  89 -16.314   2.077   0.702
  705    HB   VAL  89           HB       VAL  89 -18.342   0.524   1.162
  706   HG11  VAL  89          1HG1      VAL  89 -16.919  -1.452   1.556
  707   HG12  VAL  89          2HG1      VAL  89 -15.599  -0.401   2.065
  708   HG13  VAL  89          3HG1      VAL  89 -16.169  -0.356   0.398
  709   HG21  VAL  89          3HG2      VAL  89 -18.528  -0.479   3.323
  710   HG22  VAL  89          1HG2      VAL  89 -18.532   1.244   3.598
  711   HG23  VAL  89          2HG2      VAL  89 -17.078   0.306   3.903
  712    H    THR  90           H        THR  90 -17.798   3.298  -0.347
  713    HA   THR  90           HA       THR  90 -19.518   5.139   1.238
  714    HB   THR  90           HB       THR  90 -18.766   5.246  -1.715
  715    HG1  THR  90           1HG      THR  90 -17.426   5.934   0.554
  716   HG21  THR  90          3HG2      THR  90 -19.501   7.611  -1.498
  717   HG22  THR  90          1HG2      THR  90 -20.009   7.289   0.158
  718   HG23  THR  90          2HG2      THR  90 -20.820   6.485  -1.185
  719    H    GLN  91           H        GLN  91 -21.579   4.462   1.477
  720    HA   GLN  91           HA       GLN  91 -22.758   2.434  -0.244
  721    HB2  GLN  91           2HB      GLN  91 -24.006   4.069   2.000
  722    HB3  GLN  91           1HB      GLN  91 -24.675   2.608   1.276
  723    HG2  GLN  91           2HG      GLN  91 -22.028   2.758   2.763
  724    HG3  GLN  91           1HG      GLN  91 -23.534   2.153   3.445
  725   HE21  GLN  91          1HE2      GLN  91 -20.717   0.994   2.285
  726   HE22  GLN  91          2HE2      GLN  91 -21.252  -0.447   1.566
  727    H    LYS  92           H        LYS  92 -24.026   2.792  -1.981
  728    HA   LYS  92           HA       LYS  92 -24.340   5.296  -3.177
  729    HB2  LYS  92           2HB      LYS  92 -26.144   4.143  -4.553
  730    HB3  LYS  92           1HB      LYS  92 -24.596   3.309  -4.517
  731    HG2  LYS  92           2HG      LYS  92 -25.387   1.759  -2.809
  732    HG3  LYS  92           1HG      LYS  92 -26.912   2.619  -2.657
  733    HD2  LYS  92           2HD      LYS  92 -26.115   1.511  -5.377
  734    HD3  LYS  92           1HD      LYS  92 -26.786   0.422  -4.169
  735    HE2  LYS  92           2HE      LYS  92 -28.148   2.958  -5.127
  736    HE3  LYS  92           1HE      LYS  92 -28.540   1.329  -5.674
  737    HZ1  LYS  92           3HZ      LYS  92 -29.279   2.667  -3.262
  738    HZ2  LYS  92           1HZ      LYS  92 -28.563   1.161  -2.953
  739    HZ3  LYS  92           2HZ      LYS  92 -29.928   1.261  -3.961
  740    H    LEU  93           H        LEU  93 -25.860   6.884  -3.130
  741    HA   LEU  93           HA       LEU  93 -27.820   6.848  -0.925
  742    HB2  LEU  93           2HB      LEU  93 -27.044   9.172  -2.717
  743    HB3  LEU  93           1HB      LEU  93 -27.869   9.250  -1.160
  744    HG   LEU  93           HG       LEU  93 -25.004   8.336  -1.630
  745   HD11  LEU  93          1HD1      LEU  93 -26.129  10.819  -0.298
  746   HD12  LEU  93          2HD1      LEU  93 -25.315  10.762  -1.862
  747   HD13  LEU  93          3HD1      LEU  93 -24.421  10.394  -0.388
  748   HD21  LEU  93          3HD2      LEU  93 -25.768   7.078   0.254
  749   HD22  LEU  93          1HD2      LEU  93 -26.699   8.434   0.897
  750   HD23  LEU  93          2HD2      LEU  93 -24.936   8.455   0.958
  751    H    GLU  94           H        GLU  94 -27.757   6.149  -4.124
  752    HA   GLU  94           HA       GLU  94 -30.584   5.944  -4.370
  753    HB2  GLU  94           2HB      GLU  94 -30.313   8.405  -4.696
  754    HB3  GLU  94           1HB      GLU  94 -29.228   8.090  -6.047
  755    HG2  GLU  94           2HG      GLU  94 -31.027   6.937  -7.251
  756    HG3  GLU  94           1HG      GLU  94 -32.108   7.150  -5.881
  757    H    HIS  95           H        HIS  95 -31.195   4.764  -6.216
  758    HA   HIS  95           HA       HIS  95 -29.177   3.040  -7.312
  759    HB2  HIS  95           2HB      HIS  95 -31.513   2.307  -6.880
  760    HB3  HIS  95           1HB      HIS  95 -32.078   3.392  -8.147
  761    HD2  HIS  95           2HD      HIS  95 -30.520  -0.145  -7.799
  762    HE1  HIS  95           1HE      HIS  95 -30.637   0.746 -11.924
  763    HE2  HIS  95           2HE      HIS  95 -30.232  -1.090 -10.216
  764    H    HIS  96           H        HIS  96 -28.036   3.244  -9.146
  765    HA   HIS  96           HA       HIS  96 -28.944   4.633 -11.475
  766    HB2  HIS  96           2HB      HIS  96 -28.385   6.597 -10.047
  767    HB3  HIS  96           1HB      HIS  96 -26.743   5.983  -9.865
  768    HD2  HIS  96           2HD      HIS  96 -25.037   6.621 -11.984
  769    HE1  HIS  96           1HE      HIS  96 -27.963   8.179 -14.598
  770    HE2  HIS  96           2HE      HIS  96 -25.470   7.838 -14.254
  771    H    HIS  97           H        HIS  97 -28.347   2.661 -12.415
  772    HA   HIS  97           HA       HIS  97 -25.782   1.457 -12.171
  773    HB2  HIS  97           2HB      HIS  97 -26.457   0.191 -14.204
  774    HB3  HIS  97           1HB      HIS  97 -27.728   0.205 -12.982
  775    HD2  HIS  97           2HD      HIS  97 -27.147   1.451 -16.622
  776    HE1  HIS  97           1HE      HIS  97 -30.952   2.825 -15.416
  777    HE2  HIS  97           2HE      HIS  97 -29.374   2.578 -17.390
  778    H    HIS  98           H        HIS  98 -23.966   1.591 -13.492
  779    HA   HIS  98           HA       HIS  98 -23.875   3.300 -15.832
  780    HB2  HIS  98           2HB      HIS  98 -23.761   4.979 -14.001
  781    HB3  HIS  98           1HB      HIS  98 -22.360   4.144 -13.333
  782    HD2  HIS  98           2HD      HIS  98 -19.965   5.048 -14.392
  783    HE1  HIS  98           1HE      HIS  98 -21.506   6.898 -17.859
  784    HE2  HIS  98           2HE      HIS  98 -19.401   6.476 -16.505
  785    H    HIS  99           H        HIS  99 -22.190   2.755 -17.132
  786    HA   HIS  99           HA       HIS  99 -19.805   1.420 -16.169
  787    HB2  HIS  99           2HB      HIS  99 -20.191  -0.664 -17.463
  788    HB3  HIS  99           1HB      HIS  99 -21.365  -0.474 -16.162
  789    HD2  HIS  99           2HD      HIS  99 -21.343  -0.934 -19.977
  790    HE1  HIS  99           1HE      HIS  99 -25.251   0.296 -18.952
  791    HE2  HIS  99           2HE      HIS  99 -23.799  -0.641 -20.813
  792    H    HIS 100           H        HIS 100 -18.292   0.978 -17.933
  793    HA   HIS 100           HA       HIS 100 -18.094   3.127 -19.749
  794    HB2  HIS 100           2HB      HIS 100 -16.216   1.819 -20.734
  795    HB3  HIS 100           1HB      HIS 100 -16.127   1.897 -18.975
  796    HD2  HIS 100           2HD      HIS 100 -16.219  -0.776 -21.721
  797    HE1  HIS 100           1HE      HIS 100 -17.114  -2.771 -18.109
  798    HE2  HIS 100           2HE      HIS 100 -16.512  -3.094 -20.554
  Start of MODEL    4
    1    H1   LYS   1           1HT      LYS   1  29.838  -6.358  -4.166
    2    H2   LYS   1           2HT      LYS   1  29.767  -6.938  -2.569
    3    H3   LYS   1           3HT      LYS   1  30.355  -7.935  -3.812
    4    HA   LYS   1           HA       LYS   1  32.204  -7.123  -2.538
    5    HB2  LYS   1           2HB      LYS   1  31.898  -5.752  -5.236
    6    HB3  LYS   1           1HB      LYS   1  33.430  -5.946  -4.378
    7    HG2  LYS   1           2HG      LYS   1  33.165  -8.401  -4.449
    8    HG3  LYS   1           1HG      LYS   1  31.636  -8.214  -5.309
    9    HD2  LYS   1           2HD      LYS   1  32.812  -7.076  -7.164
   10    HD3  LYS   1           1HD      LYS   1  34.343  -7.259  -6.308
   11    HE2  LYS   1           2HE      LYS   1  34.096  -9.714  -6.383
   12    HE3  LYS   1           1HE      LYS   1  32.564  -9.535  -7.239
   13    HZ1  LYS   1           2HZ      LYS   1  34.645  -8.042  -8.483
   14    HZ2  LYS   1           3HZ      LYS   1  33.623  -9.226  -9.144
   15    HZ3  LYS   1           1HZ      LYS   1  35.057  -9.686  -8.363
   16    H    ILE   2           H        ILE   2  30.720  -4.330  -4.216
   17    HA   ILE   2           HA       ILE   2  31.850  -2.423  -2.380
   18    HB   ILE   2           HB       ILE   2  29.524  -1.972  -4.306
   19   HG12  ILE   2          2HG1      ILE   2  31.273  -3.044  -5.615
   20   HG13  ILE   2          1HG1      ILE   2  31.292  -1.327  -5.988
   21   HG21  ILE   2          1HG2      ILE   2  30.421   0.322  -4.383
   22   HG22  ILE   2          2HG2      ILE   2  31.695  -0.128  -3.253
   23   HG23  ILE   2          3HG2      ILE   2  30.012  -0.136  -2.732
   24   HD11  ILE   2          3HD1      ILE   2  33.255  -2.912  -4.321
   25   HD12  ILE   2          1HD1      ILE   2  33.170  -1.157  -4.184
   26   HD13  ILE   2          2HD1      ILE   2  33.579  -1.903  -5.724
   27    H    SER   3           H        SER   3  30.998  -1.644  -0.523
   28    HA   SER   3           HA       SER   3  28.159  -1.749   0.098
   29    HB2  SER   3           2HB      SER   3  30.124  -3.388   1.727
   30    HB3  SER   3           1HB      SER   3  28.419  -3.142   2.104
   31    HG   SER   3           HG       SER   3  27.890  -4.522   0.576
   32    H    LEU   4           H        LEU   4  31.239  -1.669   1.847
   33    HA   LEU   4           HA       LEU   4  32.163  -0.159   3.292
   34    HB2  LEU   4           2HB      LEU   4  31.867   1.216   1.098
   35    HB3  LEU   4           1HB      LEU   4  30.512   1.987   1.907
   36    HG   LEU   4           HG       LEU   4  32.383   2.306   3.889
   37   HD11  LEU   4          1HD1      LEU   4  34.037   2.382   1.342
   38   HD12  LEU   4          2HD1      LEU   4  34.150   1.136   2.583
   39   HD13  LEU   4          3HD1      LEU   4  34.586   2.801   2.966
   40   HD21  LEU   4          3HD2      LEU   4  32.178   4.090   1.435
   41   HD22  LEU   4          1HD2      LEU   4  32.838   4.583   2.995
   42   HD23  LEU   4          2HD2      LEU   4  31.132   4.159   2.852
   43    H    ARG   5           H        ARG   5  30.387   2.410   3.823
   44    HA   ARG   5           HA       ARG   5  29.348   1.558   6.335
   45    HB2  ARG   5           2HB      ARG   5  28.761   4.043   4.690
   46    HB3  ARG   5           1HB      ARG   5  28.275   3.818   6.372
   47    HG2  ARG   5           2HG      ARG   5  30.632   3.582   7.043
   48    HG3  ARG   5           1HG      ARG   5  31.139   3.772   5.366
   49    HD2  ARG   5           2HD      ARG   5  31.374   5.905   6.538
   50    HD3  ARG   5           1HD      ARG   5  30.101   6.034   5.324
   51    HE   ARG   5           HE       ARG   5  28.962   5.255   7.799
   52   HH11  ARG   5          1HH2      ARG   5  30.479   7.976   6.249
   53   HH12  ARG   5          2HH2      ARG   5  29.634   9.149   7.201
   54   HH21  ARG   5          1HH1      ARG   5  27.867   6.798   9.032
   55   HH22  ARG   5          2HH1      ARG   5  28.161   8.485   8.771
   56    H    LYS   6           H        LYS   6  27.170   1.391   6.992
   57    HA   LYS   6           HA       LYS   6  25.484  -0.051   5.218
   58    HB2  LYS   6           2HB      LYS   6  24.776   1.297   7.845
   59    HB3  LYS   6           1HB      LYS   6  23.851   0.023   7.052
   60    HG2  LYS   6           2HG      LYS   6  26.732  -0.337   7.984
   61    HG3  LYS   6           1HG      LYS   6  25.339  -0.763   8.967
   62    HD2  LYS   6           2HD      LYS   6  24.599  -2.361   7.192
   63    HD3  LYS   6           1HD      LYS   6  26.042  -1.976   6.264
   64    HE2  LYS   6           2HE      LYS   6  26.397  -4.025   7.562
   65    HE3  LYS   6           1HE      LYS   6  27.476  -2.742   8.107
   66    HZ1  LYS   6           3HZ      LYS   6  25.621  -4.176   9.611
   67    HZ2  LYS   6           1HZ      LYS   6  25.060  -2.576   9.529
   68    HZ3  LYS   6           2HZ      LYS   6  26.619  -2.898  10.120
   69    H    LEU   7           H        LEU   7  23.773   0.533   4.027
   70    HA   LEU   7           HA       LEU   7  23.143   3.429   3.734
   71    HB2  LEU   7           2HB      LEU   7  22.854   1.209   1.665
   72    HB3  LEU   7           1HB      LEU   7  22.667   2.943   1.399
   73    HG   LEU   7           HG       LEU   7  25.243   1.522   2.180
   74   HD11  LEU   7          1HD1      LEU   7  25.996   2.153  -0.081
   75   HD12  LEU   7          2HD1      LEU   7  24.417   2.867  -0.411
   76   HD13  LEU   7          3HD1      LEU   7  24.562   1.127  -0.155
   77   HD21  LEU   7          3HD2      LEU   7  25.426   3.703   3.142
   78   HD22  LEU   7          1HD2      LEU   7  24.595   4.472   1.792
   79   HD23  LEU   7          2HD2      LEU   7  26.238   3.865   1.596
   80    H    SER   8           H        SER   8  20.990   3.981   3.418
   81    HA   SER   8           HA       SER   8  18.867   2.014   3.593
   82    HB2  SER   8           2HB      SER   8  19.326   2.045   5.952
   83    HB3  SER   8           1HB      SER   8  19.526   3.795   5.956
   84    HG   SER   8           HG       SER   8  17.385   4.048   5.742
   85    H    LYS   9           H        LYS   9  16.957   2.849   2.950
   86    HA   LYS   9           HA       LYS   9  16.614   5.754   2.603
   87    HB2  LYS   9           2HB      LYS   9  16.708   3.805   0.263
   88    HB3  LYS   9           1HB      LYS   9  16.054   5.439   0.156
   89    HG2  LYS   9           2HG      LYS   9  18.270   6.344   0.876
   90    HG3  LYS   9           1HG      LYS   9  18.914   4.709   0.885
   91    HD2  LYS   9           2HD      LYS   9  18.445   4.458  -1.490
   92    HD3  LYS   9           1HD      LYS   9  17.757   6.080  -1.545
   93    HE2  LYS   9           2HE      LYS   9  20.076   6.130  -2.352
   94    HE3  LYS   9           1HE      LYS   9  19.962   7.001  -0.824
   95    HZ1  LYS   9           3HZ      LYS   9  21.519   5.646  -0.047
   96    HZ2  LYS   9           1HZ      LYS   9  21.481   4.695  -1.450
   97    HZ3  LYS   9           2HZ      LYS   9  20.421   4.356  -0.173
   98    H    SER  10           H        SER  10  14.472   6.225   1.708
   99    HA   SER  10           HA       SER  10  12.401   4.237   2.556
  100    HB2  SER  10           2HB      SER  10  12.324   7.260   2.834
  101    HB3  SER  10           1HB      SER  10  11.052   6.137   3.310
  102    HG   SER  10           HG       SER  10  13.393   5.370   4.373
  103    H    VAL  11           H        VAL  11  10.753   3.890   1.115
  104    HA   VAL  11           HA       VAL  11  10.677   5.522  -1.381
  105    HB   VAL  11           HB       VAL  11   9.977   3.382  -2.534
  106   HG11  VAL  11          1HG1      VAL  11  12.310   4.181  -2.639
  107   HG12  VAL  11          2HG1      VAL  11  12.256   2.421  -2.593
  108   HG13  VAL  11          3HG1      VAL  11  12.679   3.326  -1.142
  109   HG21  VAL  11          3HG2      VAL  11  10.422   1.247  -1.363
  110   HG22  VAL  11          1HG2      VAL  11   9.193   2.165  -0.506
  111   HG23  VAL  11          2HG2      VAL  11  10.844   2.124   0.104
  112    HA   PRO  12           HA       PRO  12   6.369   6.009  -0.195
  113    HB2  PRO  12           2HB      PRO  12   5.246   6.953  -2.485
  114    HB3  PRO  12           1HB      PRO  12   6.451   7.914  -1.593
  115    HG2  PRO  12           2HG      PRO  12   6.888   6.115  -3.976
  116    HG3  PRO  12           1HG      PRO  12   7.408   7.804  -3.754
  117    HD2  PRO  12           2HD      PRO  12   9.124   5.735  -3.265
  118    HD3  PRO  12           1HD      PRO  12   9.153   7.208  -2.262
  119    H    VAL  13           H        VAL  13   4.536   4.759  -0.128
  120    HA   VAL  13           HA       VAL  13   4.401   2.369  -1.897
  121    HB   VAL  13           HB       VAL  13   2.977   2.870   0.753
  122   HG11  VAL  13          1HG1      VAL  13   3.386   0.361  -0.934
  123   HG12  VAL  13          2HG1      VAL  13   1.855   1.203  -0.691
  124   HG13  VAL  13          3HG1      VAL  13   2.635   0.392   0.663
  125   HG21  VAL  13          3HG2      VAL  13   4.680   1.317   1.693
  126   HG22  VAL  13          1HG2      VAL  13   5.419   2.793   1.075
  127   HG23  VAL  13          2HG2      VAL  13   5.511   1.304   0.137
  128    H    LYS  14           H        LYS  14   2.701   2.107  -3.248
  129    HA   LYS  14           HA       LYS  14   0.382   3.992  -3.082
  130    HB2  LYS  14           2HB      LYS  14   1.884   3.087  -5.563
  131    HB3  LYS  14           1HB      LYS  14   0.387   4.022  -5.567
  132    HG2  LYS  14           2HG      LYS  14   1.511   5.831  -4.306
  133    HG3  LYS  14           1HG      LYS  14   3.011   4.899  -4.306
  134    HD2  LYS  14           2HD      LYS  14   3.041   4.955  -6.782
  135    HD3  LYS  14           1HD      LYS  14   1.548   5.894  -6.773
  136    HE2  LYS  14           2HE      LYS  14   2.682   7.699  -5.524
  137    HE3  LYS  14           1HE      LYS  14   4.177   6.763  -5.528
  138    HZ1  LYS  14           3HZ      LYS  14   4.635   7.491  -7.552
  139    HZ2  LYS  14           1HZ      LYS  14   3.273   8.499  -7.486
  140    HZ3  LYS  14           2HZ      LYS  14   3.144   6.940  -8.149
  141    H    LEU  15           H        LEU  15  -1.578   3.156  -3.688
  142    HA   LEU  15           HA       LEU  15  -1.773   0.182  -3.885
  143    HB2  LEU  15           2HB      LEU  15  -3.868   2.148  -2.869
  144    HB3  LEU  15           1HB      LEU  15  -3.921   0.387  -2.776
  145    HG   LEU  15           HG       LEU  15  -1.943   2.206  -1.341
  146   HD11  LEU  15          1HD1      LEU  15  -4.220   2.257  -0.401
  147   HD12  LEU  15          2HD1      LEU  15  -3.119   1.427   0.696
  148   HD13  LEU  15          3HD1      LEU  15  -4.234   0.494  -0.306
  149   HD21  LEU  15          3HD2      LEU  15  -1.381  -0.022  -0.114
  150   HD22  LEU  15          1HD2      LEU  15  -0.739   0.186  -1.737
  151   HD23  LEU  15          2HD2      LEU  15  -2.161  -0.828  -1.476
  152    H    GLU  16           H        GLU  16  -2.892  -0.690  -5.549
  153    HA   GLU  16           HA       GLU  16  -4.195   1.163  -7.514
  154    HB2  GLU  16           2HB      GLU  16  -2.028   0.114  -8.285
  155    HB3  GLU  16           1HB      GLU  16  -2.779  -1.466  -8.110
  156    HG2  GLU  16           2HG      GLU  16  -2.955  -0.787 -10.445
  157    HG3  GLU  16           1HG      GLU  16  -4.566  -0.735  -9.746
  158    H    LEU  17           H        LEU  17  -6.348   0.925  -7.259
  159    HA   LEU  17           HA       LEU  17  -7.562  -1.449  -6.197
  160    HB2  LEU  17           2HB      LEU  17  -8.581   1.114  -7.449
  161    HB3  LEU  17           1HB      LEU  17  -9.707  -0.201  -7.118
  162    HG   LEU  17           HG       LEU  17  -9.096  -0.181  -4.743
  163   HD11  LEU  17          1HD1      LEU  17  -7.615   1.732  -3.908
  164   HD12  LEU  17          2HD1      LEU  17  -7.108   1.951  -5.583
  165   HD13  LEU  17          3HD1      LEU  17  -6.792   0.423  -4.753
  166   HD21  LEU  17          3HD2      LEU  17 -10.893   1.321  -5.517
  167   HD22  LEU  17          1HD2      LEU  17  -9.708   2.596  -5.806
  168   HD23  LEU  17          2HD2      LEU  17 -10.019   2.037  -4.163
  169    H    THR  18           H        THR  18  -8.239  -3.168  -7.197
  170    HA   THR  18           HA       THR  18  -8.511  -3.235 -10.178
  171    HB   THR  18           HB       THR  18  -7.508  -5.487 -10.162
  172    HG1  THR  18           1HG      THR  18  -6.276  -5.456  -7.837
  173   HG21  THR  18          3HG2      THR  18  -5.182  -4.801  -9.734
  174   HG22  THR  18          1HG2      THR  18  -5.758  -3.398  -8.835
  175   HG23  THR  18          2HG2      THR  18  -6.067  -3.521 -10.566
  176    H    GLY  19           H        GLY  19 -10.153  -4.445 -10.959
  177    HA2  GLY  19           2HA      GLY  19 -11.792  -6.257 -10.712
  178    HA3  GLY  19           1HA      GLY  19 -12.004  -5.794  -9.027
  179    H    ASP  20           H        ASP  20 -14.232  -5.992 -10.481
  180    HA   ASP  20           HA       ASP  20 -15.000  -3.386 -11.601
  181    HB2  ASP  20           2HB      ASP  20 -17.164  -4.508 -12.018
  182    HB3  ASP  20           1HB      ASP  20 -15.817  -5.427 -12.681
  183    H    LYS  21           H        LYS  21 -16.114  -1.835 -10.492
  184    HA   LYS  21           HA       LYS  21 -16.376  -1.964  -7.661
  185    HB2  LYS  21           2HB      LYS  21 -17.591  -0.058  -9.696
  186    HB3  LYS  21           1HB      LYS  21 -17.620   0.195  -7.949
  187    HG2  LYS  21           2HG      LYS  21 -15.159   0.182  -7.894
  188    HG3  LYS  21           1HG      LYS  21 -15.109  -0.088  -9.635
  189    HD2  LYS  21           2HD      LYS  21 -16.285   2.064  -9.996
  190    HD3  LYS  21           1HD      LYS  21 -16.316   2.334  -8.252
  191    HE2  LYS  21           2HE      LYS  21 -13.821   2.049  -9.959
  192    HE3  LYS  21           1HE      LYS  21 -14.438   3.554  -9.274
  193    HZ1  LYS  21           3HZ      LYS  21 -14.323   1.935  -7.123
  194    HZ2  LYS  21           1HZ      LYS  21 -13.123   3.052  -7.557
  195    HZ3  LYS  21           2HZ      LYS  21 -12.968   1.422  -8.010
  196    H    ALA  22           H        ALA  22 -18.053  -2.602  -6.397
  197    HA   ALA  22           HA       ALA  22 -20.199  -4.131  -7.494
  198    HB1  ALA  22           1HB      ALA  22 -19.819  -3.007  -4.707
  199    HB2  ALA  22           2HB      ALA  22 -19.272  -4.584  -5.266
  200    HB3  ALA  22           3HB      ALA  22 -20.998  -4.237  -5.157
  201    H    SER  23           H        SER  23 -22.361  -3.674  -7.648
  202    HA   SER  23           HA       SER  23 -23.103  -1.034  -8.375
  203    HB2  SER  23           2HB      SER  23 -24.839  -3.422  -7.714
  204    HB3  SER  23           1HB      SER  23 -25.400  -1.947  -8.500
  205    HG   SER  23           HG       SER  23 -23.175  -2.917  -9.693
  206    H    ASN  24           H        ASN  24 -22.949  -2.594  -5.287
  207    HA   ASN  24           HA       ASN  24 -24.894  -0.870  -3.966
  208    HB2  ASN  24           2HB      ASN  24 -24.686  -3.132  -3.156
  209    HB3  ASN  24           1HB      ASN  24 -22.936  -3.002  -3.060
  210   HD21  ASN  24          1HD2      ASN  24 -22.022  -2.078  -1.184
  211   HD22  ASN  24          2HD2      ASN  24 -22.945  -1.554   0.130
  212    H    VAL  25           H        VAL  25 -21.521  -0.840  -4.744
  213    HA   VAL  25           HA       VAL  25 -20.959   1.343  -2.793
  214    HB   VAL  25           HB       VAL  25 -19.039  -0.382  -4.394
  215   HG11  VAL  25          1HG1      VAL  25 -17.359   0.542  -2.782
  216   HG12  VAL  25          2HG1      VAL  25 -18.596   1.622  -2.146
  217   HG13  VAL  25          3HG1      VAL  25 -18.045   1.790  -3.813
  218   HG21  VAL  25          3HG2      VAL  25 -19.902  -0.514  -1.481
  219   HG22  VAL  25          1HG2      VAL  25 -18.610  -1.479  -2.194
  220   HG23  VAL  25          2HG2      VAL  25 -20.277  -1.702  -2.719
  221    H    SER  26           H        SER  26 -20.774   3.350  -3.508
  222    HA   SER  26           HA       SER  26 -20.894   3.981  -6.368
  223    HB2  SER  26           2HB      SER  26 -22.318   5.204  -4.782
  224    HB3  SER  26           1HB      SER  26 -20.892   5.754  -3.907
  225    HG   SER  26           HG       SER  26 -20.302   6.465  -6.233
  226    H    SER  27           H        SER  27 -18.713   4.414  -3.597
  227    HA   SER  27           HA       SER  27 -16.391   4.665  -5.353
  228    HB2  SER  27           2HB      SER  27 -17.198   6.986  -5.230
  229    HB3  SER  27           1HB      SER  27 -17.187   6.904  -3.471
  230    HG   SER  27           HG       SER  27 -15.194   7.512  -5.086
  231    H    ILE  28           H        ILE  28 -14.385   4.665  -4.149
  232    HA   ILE  28           HA       ILE  28 -14.550   3.564  -1.378
  233    HB   ILE  28           HB       ILE  28 -12.786   2.509  -3.627
  234   HG12  ILE  28          2HG1      ILE  28 -15.116   1.168  -2.184
  235   HG13  ILE  28          1HG1      ILE  28 -15.254   1.890  -3.781
  236   HG21  ILE  28          1HG2      ILE  28 -11.672   2.330  -1.415
  237   HG22  ILE  28          2HG2      ILE  28 -12.206   0.736  -1.914
  238   HG23  ILE  28          3HG2      ILE  28 -13.132   1.634  -0.718
  239   HD11  ILE  28          3HD1      ILE  28 -14.902  -0.496  -4.029
  240   HD12  ILE  28          1HD1      ILE  28 -13.466  -0.420  -3.011
  241   HD13  ILE  28          2HD1      ILE  28 -13.462   0.353  -4.595
  242    H    SER  29           H        SER  29 -12.959   4.193  -0.022
  243    HA   SER  29           HA       SER  29 -10.772   5.962  -1.012
  244    HB2  SER  29           2HB      SER  29 -12.495   6.388   1.450
  245    HB3  SER  29           1HB      SER  29 -11.116   7.376   0.968
  246    HG   SER  29           HG       SER  29 -12.644   8.440  -0.044
  247    H    TYR  30           H        TYR  30  -8.885   5.939   0.293
  248    HA   TYR  30           HA       TYR  30  -8.682   3.883   2.410
  249    HB2  TYR  30           2HB      TYR  30  -6.675   2.913   1.332
  250    HB3  TYR  30           1HB      TYR  30  -8.118   2.689   0.344
  251    HD1  TYR  30           1HD      TYR  30  -4.939   4.572   0.672
  252    HD2  TYR  30           2HD      TYR  30  -8.422   3.920  -1.772
  253    HE1  TYR  30           1HE      TYR  30  -3.865   5.798  -1.195
  254    HE2  TYR  30           2HE      TYR  30  -7.336   5.144  -3.636
  255    HH   TYR  30           HH       TYR  30  -4.712   7.110  -3.259
  256    H    SER  31           H        SER  31  -6.812   4.093   3.693
  257    HA   SER  31           HA       SER  31  -5.156   6.515   3.379
  258    HB2  SER  31           2HB      SER  31  -6.839   6.000   5.854
  259    HB3  SER  31           1HB      SER  31  -5.673   7.305   5.641
  260    HG   SER  31           HG       SER  31  -8.206   7.310   4.991
  261    H    PHE  32           H        PHE  32  -3.457   6.592   5.059
  262    HA   PHE  32           HA       PHE  32  -2.732   4.007   6.282
  263    HB2  PHE  32           2HB      PHE  32  -0.437   4.185   5.235
  264    HB3  PHE  32           1HB      PHE  32  -1.722   3.828   4.081
  265    HD1  PHE  32           1HD      PHE  32   0.394   6.591   5.462
  266    HD2  PHE  32           2HD      PHE  32  -2.253   5.388   2.287
  267    HE1  PHE  32           1HE      PHE  32   0.983   8.629   4.191
  268    HE2  PHE  32           2HE      PHE  32  -1.651   7.434   1.025
  269    HZ   PHE  32           HZ       PHE  32  -0.034   9.050   1.975
  270    H    ASP  33           H        ASP  33  -1.471   4.229   8.079
  271    HA   ASP  33           HA       ASP  33  -1.359   6.809   9.350
  272    HB2  ASP  33           2HB      ASP  33  -0.252   5.551  11.190
  273    HB3  ASP  33           1HB      ASP  33  -1.745   4.779  10.659
  274    H    ARG  34           H        ARG  34   0.954   4.713   7.695
  275    HA   ARG  34           HA       ARG  34   3.068   6.804   7.893
  276    HB2  ARG  34           2HB      ARG  34   3.378   3.779   7.867
  277    HB3  ARG  34           1HB      ARG  34   4.707   4.936   7.900
  278    HG2  ARG  34           2HG      ARG  34   2.580   4.801  10.081
  279    HG3  ARG  34           1HG      ARG  34   4.084   3.893  10.165
  280    HD2  ARG  34           2HD      ARG  34   5.353   6.026   9.989
  281    HD3  ARG  34           1HD      ARG  34   3.839   6.913  10.022
  282    HE   ARG  34           HE       ARG  34   3.930   5.220  12.274
  283   HH11  ARG  34          1HH2      ARG  34   5.470   8.035  10.926
  284   HH12  ARG  34          2HH2      ARG  34   5.845   8.734  12.467
  285   HH21  ARG  34          1HH1      ARG  34   4.420   6.164  14.297
  286   HH22  ARG  34          2HH1      ARG  34   5.253   7.680  14.359
  287    H    GLY  35           H        GLY  35   2.161   3.894   6.063
  288    HA2  GLY  35           2HA      GLY  35   2.235   3.419   3.817
  289    HA3  GLY  35           1HA      GLY  35   1.956   5.139   3.564
  290    H    HIS  36           H        HIS  36   4.766   4.291   5.382
  291    HA   HIS  36           HA       HIS  36   6.569   4.302   3.048
  292    HB2  HIS  36           2HB      HIS  36   6.817   6.260   5.367
  293    HB3  HIS  36           1HB      HIS  36   7.941   6.091   4.015
  294    HD2  HIS  36           2HD      HIS  36   5.102   8.345   4.881
  295    HE1  HIS  36           1HE      HIS  36   4.882   7.994   0.681
  296    HE2  HIS  36           2HE      HIS  36   4.051   9.304   2.690
  297    H    VAL  37           H        VAL  37   8.311   3.021   3.406
  298    HA   VAL  37           HA       VAL  37   8.947   2.106   6.174
  299    HB   VAL  37           HB       VAL  37   9.248  -0.191   5.271
  300   HG11  VAL  37          1HG1      VAL  37   7.126   0.456   6.362
  301   HG12  VAL  37          2HG1      VAL  37   6.842  -0.714   5.082
  302   HG13  VAL  37          3HG1      VAL  37   6.483   0.985   4.808
  303   HG21  VAL  37          3HG2      VAL  37   7.991   0.989   2.758
  304   HG22  VAL  37          1HG2      VAL  37   8.273  -0.728   3.036
  305   HG23  VAL  37          2HG2      VAL  37   9.636   0.373   2.892
  306    H    THR  38           H        THR  38  11.111   1.122   6.316
  307    HA   THR  38           HA       THR  38  13.031   2.568   4.571
  308    HB   THR  38           HB       THR  38  13.467   1.250   7.281
  309    HG1  THR  38           1HG      THR  38  12.064   3.012   7.430
  310   HG21  THR  38          3HG2      THR  38  15.515   2.653   7.283
  311   HG22  THR  38          1HG2      THR  38  15.142   3.185   5.647
  312   HG23  THR  38          2HG2      THR  38  15.531   1.493   5.959
  313    H    ILE  39           H        ILE  39  14.490   1.470   3.362
  314    HA   ILE  39           HA       ILE  39  14.486  -1.516   3.422
  315    HB   ILE  39           HB       ILE  39  14.957  -1.406   1.006
  316   HG12  ILE  39          2HG1      ILE  39  14.502   1.589   1.295
  317   HG13  ILE  39          1HG1      ILE  39  16.065   0.860   0.989
  318   HG21  ILE  39          1HG2      ILE  39  12.580  -1.486   1.898
  319   HG22  ILE  39          2HG2      ILE  39  12.705  -0.794   0.286
  320   HG23  ILE  39          3HG2      ILE  39  12.493   0.258   1.688
  321   HD11  ILE  39          3HD1      ILE  39  13.644   0.853  -0.816
  322   HD12  ILE  39          1HD1      ILE  39  15.077  -0.134  -1.116
  323   HD13  ILE  39          2HD1      ILE  39  15.197   1.628  -1.108
  324    H    VAL  40           H        VAL  40  16.470  -2.547   3.107
  325    HA   VAL  40           HA       VAL  40  18.913  -0.838   3.342
  326    HB   VAL  40           HB       VAL  40  18.052  -1.942   5.527
  327   HG11  VAL  40          1HG1      VAL  40  19.231  -4.484   4.381
  328   HG12  VAL  40          2HG1      VAL  40  17.514  -4.113   4.305
  329   HG13  VAL  40          3HG1      VAL  40  18.311  -4.271   5.874
  330   HG21  VAL  40          3HG2      VAL  40  20.378  -2.604   6.204
  331   HG22  VAL  40          1HG2      VAL  40  20.346  -1.079   5.315
  332   HG23  VAL  40          2HG2      VAL  40  20.855  -2.563   4.505
  333    H    GLY  41           H        GLY  41  20.547  -1.408   2.020
  334    HA2  GLY  41           2HA      GLY  41  21.361  -3.905   1.204
  335    HA3  GLY  41           1HA      GLY  41  20.156  -3.430   0.014
  336    H    SER  42           H        SER  42  21.893  -3.524  -1.503
  337    HA   SER  42           HA       SER  42  24.073  -1.604  -1.373
  338    HB2  SER  42           2HB      SER  42  24.333  -3.756  -2.539
  339    HB3  SER  42           1HB      SER  42  23.057  -3.308  -3.668
  340    HG   SER  42           HG       SER  42  25.304  -1.650  -3.239
  341    H    GLN  43           H        GLN  43  24.347   0.140  -2.912
  342    HA   GLN  43           HA       GLN  43  22.091   1.823  -3.118
  343    HB2  GLN  43           2HB      GLN  43  24.490   2.568  -3.037
  344    HB3  GLN  43           1HB      GLN  43  24.698   1.976  -4.681
  345    HG2  GLN  43           2HG      GLN  43  24.287   4.375  -4.762
  346    HG3  GLN  43           1HG      GLN  43  22.880   3.558  -5.423
  347   HE21  GLN  43          1HE2      GLN  43  24.082   4.931  -2.313
  348   HE22  GLN  43          2HE2      GLN  43  22.547   5.412  -1.772
  349    H    GLU  44           H        GLU  44  23.603  -0.423  -5.381
  350    HA   GLU  44           HA       GLU  44  22.277   0.369  -7.735
  351    HB2  GLU  44           2HB      GLU  44  23.268  -2.376  -6.903
  352    HB3  GLU  44           1HB      GLU  44  22.822  -1.918  -8.548
  353    HG2  GLU  44           2HG      GLU  44  24.572  -0.179  -8.545
  354    HG3  GLU  44           1HG      GLU  44  25.015  -0.617  -6.898
  355    H    ALA  45           H        ALA  45  21.373  -2.021  -5.244
  356    HA   ALA  45           HA       ALA  45  19.013  -2.941  -6.507
  357    HB1  ALA  45           1HB      ALA  45  20.129  -4.134  -4.662
  358    HB2  ALA  45           2HB      ALA  45  18.434  -3.819  -4.283
  359    HB3  ALA  45           3HB      ALA  45  19.703  -2.828  -3.557
  360    H    MET  46           H        MET  46  19.632  -0.297  -4.231
  361    HA   MET  46           HA       MET  46  16.904   0.417  -3.791
  362    HB2  MET  46           2HB      MET  46  19.486   1.997  -3.506
  363    HB3  MET  46           1HB      MET  46  17.911   2.597  -2.987
  364    HG2  MET  46           2HG      MET  46  17.666   0.672  -1.463
  365    HG3  MET  46           1HG      MET  46  19.229   0.051  -1.989
  366    HE1  MET  46           3HE      MET  46  20.088  -0.149   0.300
  367    HE2  MET  46           1HE      MET  46  18.641   0.495   1.085
  368    HE3  MET  46           2HE      MET  46  20.230   1.124   1.507
  369    H    ASP  47           H        ASP  47  19.331   1.447  -6.172
  370    HA   ASP  47           HA       ASP  47  17.935   3.603  -7.292
  371    HB2  ASP  47           2HB      ASP  47  19.879   1.662  -8.580
  372    HB3  ASP  47           1HB      ASP  47  19.395   3.209  -9.274
  373    H    LYS  48           H        LYS  48  17.602   0.111  -7.804
  374    HA   LYS  48           HA       LYS  48  15.994   0.318 -10.190
  375    HB2  LYS  48           2HB      LYS  48  16.475  -1.936  -8.208
  376    HB3  LYS  48           1HB      LYS  48  15.558  -2.117  -9.704
  377    HG2  LYS  48           2HG      LYS  48  17.531  -1.436 -11.013
  378    HG3  LYS  48           1HG      LYS  48  18.455  -1.226  -9.528
  379    HD2  LYS  48           2HD      LYS  48  18.133  -3.633  -8.998
  380    HD3  LYS  48           1HD      LYS  48  17.243  -3.833 -10.509
  381    HE2  LYS  48           2HE      LYS  48  20.138  -2.951 -10.253
  382    HE3  LYS  48           1HE      LYS  48  19.581  -4.532 -10.806
  383    HZ1  LYS  48           3HZ      LYS  48  19.376  -1.920 -12.145
  384    HZ2  LYS  48           1HZ      LYS  48  18.253  -3.139 -12.504
  385    HZ3  LYS  48           2HZ      LYS  48  19.909  -3.409 -12.769
  386    H    ILE  49           H        ILE  49  15.384  -0.050  -6.715
  387    HA   ILE  49           HA       ILE  49  12.493  -0.246  -7.046
  388    HB   ILE  49           HB       ILE  49  14.131   0.203  -4.507
  389   HG12  ILE  49          2HG1      ILE  49  13.057  -2.435  -5.630
  390   HG13  ILE  49          1HG1      ILE  49  14.731  -1.925  -5.792
  391   HG21  ILE  49          1HG2      ILE  49  11.294  -0.825  -4.955
  392   HG22  ILE  49          2HG2      ILE  49  11.714   0.739  -4.268
  393   HG23  ILE  49          3HG2      ILE  49  12.094  -0.732  -3.389
  394   HD11  ILE  49          3HD1      ILE  49  14.505  -3.433  -3.872
  395   HD12  ILE  49          1HD1      ILE  49  13.274  -2.385  -3.169
  396   HD13  ILE  49          2HD1      ILE  49  14.934  -1.814  -3.319
  397    H    ASP  50           H        ASP  50  11.305   1.509  -7.512
  398    HA   ASP  50           HA       ASP  50  12.132   4.226  -6.577
  399    HB2  ASP  50           2HB      ASP  50  12.047   3.907  -9.048
  400    HB3  ASP  50           1HB      ASP  50  10.353   3.447  -8.916
  401    H    SER  51           H        SER  51   9.716   1.758  -6.545
  402    HA   SER  51           HA       SER  51   8.257   2.963  -4.395
  403    HB2  SER  51           2HB      SER  51   6.134   3.357  -5.539
  404    HB3  SER  51           1HB      SER  51   7.390   4.350  -6.271
  405    HG   SER  51           HG       SER  51   7.030   3.333  -8.068
  406    H    ILE  52           H        ILE  52   6.425   1.651  -3.726
  407    HA   ILE  52           HA       ILE  52   6.635  -1.201  -4.571
  408    HB   ILE  52           HB       ILE  52   5.770  -0.048  -1.898
  409   HG12  ILE  52          2HG1      ILE  52   8.319  -1.554  -2.656
  410   HG13  ILE  52          1HG1      ILE  52   8.242   0.189  -2.421
  411   HG21  ILE  52          1HG2      ILE  52   4.662  -2.202  -2.419
  412   HG22  ILE  52          2HG2      ILE  52   5.868  -2.452  -1.174
  413   HG23  ILE  52          3HG2      ILE  52   6.214  -2.916  -2.837
  414   HD11  ILE  52          3HD1      ILE  52   7.646  -1.919  -0.337
  415   HD12  ILE  52          1HD1      ILE  52   7.452  -0.185  -0.092
  416   HD13  ILE  52          2HD1      ILE  52   9.051  -0.864  -0.385
  417    H    THR  53           H        THR  53   4.913  -1.893  -5.665
  418    HA   THR  53           HA       THR  53   2.311  -0.464  -5.535
  419    HB   THR  53           HB       THR  53   3.224  -2.644  -7.470
  420    HG1  THR  53           1HG      THR  53   4.495  -0.789  -7.669
  421   HG21  THR  53          3HG2      THR  53   0.948  -0.637  -7.580
  422   HG22  THR  53          1HG2      THR  53   0.766  -2.368  -7.296
  423   HG23  THR  53          2HG2      THR  53   1.357  -1.786  -8.849
  424    H    VAL  54           H        VAL  54   0.590  -1.421  -4.494
  425    HA   VAL  54           HA       VAL  54   0.700  -4.330  -3.884
  426    HB   VAL  54           HB       VAL  54  -0.163  -2.159  -1.949
  427   HG11  VAL  54          1HG1      VAL  54   0.269  -5.156  -1.632
  428   HG12  VAL  54          2HG1      VAL  54  -1.274  -4.307  -1.560
  429   HG13  VAL  54          3HG1      VAL  54  -0.066  -4.047  -0.304
  430   HG21  VAL  54          3HG2      VAL  54   2.440  -3.736  -2.114
  431   HG22  VAL  54          1HG2      VAL  54   1.953  -2.760  -0.731
  432   HG23  VAL  54          2HG2      VAL  54   2.248  -1.989  -2.281
  433    HA   PRO  55           HA       PRO  55  -3.397  -3.056  -5.641
  434    HB2  PRO  55           2HB      PRO  55  -3.939  -5.192  -7.221
  435    HB3  PRO  55           1HB      PRO  55  -2.735  -3.975  -7.707
  436    HG2  PRO  55           2HG      PRO  55  -2.275  -6.670  -6.442
  437    HG3  PRO  55           1HG      PRO  55  -1.432  -5.926  -7.819
  438    HD2  PRO  55           2HD      PRO  55  -0.431  -5.876  -5.232
  439    HD3  PRO  55           1HD      PRO  55  -0.049  -4.612  -6.427
  440    H    VAL  56           H        VAL  56  -5.454  -3.533  -4.930
  441    HA   VAL  56           HA       VAL  56  -5.859  -5.948  -3.229
  442    HB   VAL  56           HB       VAL  56  -6.700  -3.100  -2.550
  443   HG11  VAL  56          1HG1      VAL  56  -7.397  -4.197  -0.364
  444   HG12  VAL  56          2HG1      VAL  56  -7.121  -5.764  -1.125
  445   HG13  VAL  56          3HG1      VAL  56  -8.381  -4.695  -1.742
  446   HG21  VAL  56          3HG2      VAL  56  -4.634  -4.952  -1.299
  447   HG22  VAL  56          1HG2      VAL  56  -5.111  -3.378  -0.657
  448   HG23  VAL  56          2HG2      VAL  56  -4.292  -3.482  -2.215
  449    H    ASP  57           H        ASP  57  -7.642  -7.017  -3.698
  450    HA   ASP  57           HA       ASP  57  -9.390  -6.233  -5.832
  451    HB2  ASP  57           2HB      ASP  57 -10.619  -8.297  -5.257
  452    HB3  ASP  57           1HB      ASP  57  -8.887  -8.591  -5.374
  453    H    ILE  58           H        ILE  58 -11.177  -4.988  -5.708
  454    HA   ILE  58           HA       ILE  58 -12.288  -4.250  -3.068
  455    HB   ILE  58           HB       ILE  58 -13.392  -2.424  -4.363
  456   HG12  ILE  58          2HG1      ILE  58 -11.675  -3.380  -6.694
  457   HG13  ILE  58          1HG1      ILE  58 -13.405  -3.663  -6.590
  458   HG21  ILE  58          1HG2      ILE  58 -11.350  -1.102  -4.724
  459   HG22  ILE  58          2HG2      ILE  58 -10.383  -2.577  -4.751
  460   HG23  ILE  58          3HG2      ILE  58 -11.188  -2.075  -3.265
  461   HD11  ILE  58          3HD1      ILE  58 -12.051  -0.957  -6.670
  462   HD12  ILE  58          1HD1      ILE  58 -13.782  -1.211  -6.457
  463   HD13  ILE  58          2HD1      ILE  58 -12.996  -1.694  -7.959
  464    H    SER  59           H        SER  59 -12.905  -6.253  -5.741
  465    HA   SER  59           HA       SER  59 -15.688  -6.096  -6.004
  466    HB2  SER  59           2HB      SER  59 -13.910  -8.526  -6.323
  467    HB3  SER  59           1HB      SER  59 -15.537  -8.345  -6.976
  468    HG   SER  59           HG       SER  59 -13.172  -7.422  -7.923
  469    H    GLN  60           H        GLN  60 -13.716  -7.961  -3.710
  470    HA   GLN  60           HA       GLN  60 -16.038  -9.251  -2.495
  471    HB2  GLN  60           2HB      GLN  60 -13.588 -10.185  -2.805
  472    HB3  GLN  60           1HB      GLN  60 -13.207  -9.248  -1.367
  473    HG2  GLN  60           2HG      GLN  60 -13.763 -11.464  -0.589
  474    HG3  GLN  60           1HG      GLN  60 -15.157 -10.462  -0.205
  475   HE21  GLN  60          1HE2      GLN  60 -13.954 -12.897  -2.536
  476   HE22  GLN  60          2HE2      GLN  60 -15.494 -13.382  -3.063
  477    H    VAL  61           H        VAL  61 -14.613  -6.212  -2.277
  478    HA   VAL  61           HA       VAL  61 -15.112  -5.816   0.609
  479    HB   VAL  61           HB       VAL  61 -14.051  -3.872  -1.477
  480   HG11  VAL  61          1HG1      VAL  61 -14.086  -3.785   1.564
  481   HG12  VAL  61          2HG1      VAL  61 -14.974  -2.718   0.477
  482   HG13  VAL  61          3HG1      VAL  61 -13.220  -2.637   0.541
  483   HG21  VAL  61          3HG2      VAL  61 -12.560  -5.831  -1.196
  484   HG22  VAL  61          1HG2      VAL  61 -12.566  -5.586   0.550
  485   HG23  VAL  61          2HG2      VAL  61 -11.830  -4.383  -0.509
  486    H    THR  62           H        THR  62 -17.136  -5.373   1.176
  487    HA   THR  62           HA       THR  62 -18.773  -3.465  -0.431
  488    HB   THR  62           HB       THR  62 -20.743  -4.852  -0.002
  489    HG1  THR  62           1HG      THR  62 -20.500  -6.063   1.700
  490   HG21  THR  62          3HG2      THR  62 -20.193  -6.744  -1.470
  491   HG22  THR  62          1HG2      THR  62 -18.473  -6.503  -1.158
  492   HG23  THR  62          2HG2      THR  62 -19.385  -5.288  -2.052
  493    H    GLU  63           H        GLU  63 -17.187  -3.931   2.355
  494    HA   GLU  63           HA       GLU  63 -18.866  -2.042   3.836
  495    HB2  GLU  63           2HB      GLU  63 -18.894  -3.489   5.867
  496    HB3  GLU  63           1HB      GLU  63 -19.818  -4.176   4.533
  497    HG2  GLU  63           2HG      GLU  63 -17.910  -5.635   3.947
  498    HG3  GLU  63           1HG      GLU  63 -16.977  -4.965   5.282
  499    H    ASP  64           H        ASP  64 -17.801  -1.223   5.767
  500    HA   ASP  64           HA       ASP  64 -15.109  -0.496   5.284
  501    HB2  ASP  64           2HB      ASP  64 -16.719  -0.376   7.858
  502    HB3  ASP  64           1HB      ASP  64 -15.195   0.465   7.575
  503    H    THR  65           H        THR  65 -13.201  -1.299   6.026
  504    HA   THR  65           HA       THR  65 -12.967  -3.218   8.158
  505    HB   THR  65           HB       THR  65 -13.830  -4.775   6.498
  506    HG1  THR  65           1HG      THR  65 -12.322  -5.900   7.445
  507   HG21  THR  65          3HG2      THR  65 -13.322  -3.431   4.476
  508   HG22  THR  65          1HG2      THR  65 -12.735  -5.085   4.322
  509   HG23  THR  65          2HG2      THR  65 -11.607  -3.781   4.681
  510    H    SER  66           H        SER  66 -10.683  -4.111   8.225
  511    HA   SER  66           HA       SER  66  -8.662  -2.446   6.877
  512    HB2  SER  66           2HB      SER  66  -8.882  -2.592   9.902
  513    HB3  SER  66           1HB      SER  66  -7.600  -1.801   8.989
  514    HG   SER  66           HG       SER  66  -9.973  -0.841   9.705
  515    H    LYS  67           H        LYS  67  -6.753  -3.483   6.621
  516    HA   LYS  67           HA       LYS  67  -6.192  -5.980   8.093
  517    HB2  LYS  67           2HB      LYS  67  -5.766  -7.190   5.918
  518    HB3  LYS  67           1HB      LYS  67  -7.464  -6.818   6.215
  519    HG2  LYS  67           2HG      LYS  67  -7.294  -4.824   4.765
  520    HG3  LYS  67           1HG      LYS  67  -5.597  -5.194   4.455
  521    HD2  LYS  67           2HD      LYS  67  -6.239  -7.344   3.441
  522    HD3  LYS  67           1HD      LYS  67  -7.938  -7.013   3.784
  523    HE2  LYS  67           2HE      LYS  67  -7.851  -5.024   2.330
  524    HE3  LYS  67           1HE      LYS  67  -6.151  -5.336   1.990
  525    HZ1  LYS  67           3HZ      LYS  67  -7.790  -7.634   1.551
  526    HZ2  LYS  67           1HZ      LYS  67  -6.675  -6.887   0.514
  527    HZ3  LYS  67           2HZ      LYS  67  -8.274  -6.315   0.596
  528    H    THR  68           H        THR  68  -4.083  -6.532   8.206
  529    HA   THR  68           HA       THR  68  -2.165  -4.403   7.623
  530    HB   THR  68           HB       THR  68  -1.642  -7.157   8.818
  531    HG1  THR  68           1HG      THR  68  -1.748  -5.942  10.786
  532   HG21  THR  68          3HG2      THR  68   0.347  -6.006   9.779
  533   HG22  THR  68          1HG2      THR  68  -0.073  -4.548   8.886
  534   HG23  THR  68          2HG2      THR  68   0.395  -6.011   8.019
  535    H    LEU  69           H        LEU  69  -0.663  -4.402   6.032
  536    HA   LEU  69           HA       LEU  69  -0.607  -6.681   4.098
  537    HB2  LEU  69           2HB      LEU  69  -0.090  -3.729   3.580
  538    HB3  LEU  69           1HB      LEU  69  -0.147  -5.014   2.371
  539    HG   LEU  69           HG       LEU  69  -2.467  -4.089   4.112
  540   HD11  LEU  69          1HD1      LEU  69  -3.416  -3.226   2.026
  541   HD12  LEU  69          2HD1      LEU  69  -2.025  -3.813   1.120
  542   HD13  LEU  69          3HD1      LEU  69  -1.826  -2.511   2.291
  543   HD21  LEU  69          3HD2      LEU  69  -2.209  -6.367   2.113
  544   HD22  LEU  69          1HD2      LEU  69  -3.771  -5.604   2.394
  545   HD23  LEU  69          2HD2      LEU  69  -2.936  -6.387   3.720
  546    H    GLU  70           H        GLU  70   1.248  -7.708   3.908
  547    HA   GLU  70           HA       GLU  70   3.687  -6.631   5.151
  548    HB2  GLU  70           2HB      GLU  70   4.567  -8.922   4.794
  549    HB3  GLU  70           1HB      GLU  70   3.069  -8.920   5.721
  550    HG2  GLU  70           2HG      GLU  70   1.813  -9.438   3.605
  551    HG3  GLU  70           1HG      GLU  70   3.350  -9.566   2.760
  552    H    LEU  71           H        LEU  71   5.364  -5.865   4.012
  553    HA   LEU  71           HA       LEU  71   5.254  -5.946   1.025
  554    HB2  LEU  71           2HB      LEU  71   6.853  -4.031   2.768
  555    HB3  LEU  71           1HB      LEU  71   6.489  -3.879   1.048
  556    HG   LEU  71           HG       LEU  71   4.490  -3.719   3.343
  557   HD11  LEU  71          1HD1      LEU  71   4.258  -1.366   2.625
  558   HD12  LEU  71          2HD1      LEU  71   5.482  -1.623   1.381
  559   HD13  LEU  71          3HD1      LEU  71   5.920  -1.726   3.083
  560   HD21  LEU  71          3HD2      LEU  71   3.304  -4.697   1.478
  561   HD22  LEU  71          1HD2      LEU  71   4.076  -3.607   0.328
  562   HD23  LEU  71          2HD2      LEU  71   2.891  -2.994   1.481
  563    H    LYS  72           H        LYS  72   6.779  -7.019  -0.057
  564    HA   LYS  72           HA       LYS  72   9.361  -7.722   1.273
  565    HB2  LYS  72           2HB      LYS  72   7.572  -9.538  -0.387
  566    HB3  LYS  72           1HB      LYS  72   9.205  -9.942   0.144
  567    HG2  LYS  72           2HG      LYS  72   8.507  -9.691   2.502
  568    HG3  LYS  72           1HG      LYS  72   6.870  -9.292   1.979
  569    HD2  LYS  72           2HD      LYS  72   6.650 -11.503   0.919
  570    HD3  LYS  72           1HD      LYS  72   8.298 -11.909   1.395
  571    HE2  LYS  72           2HE      LYS  72   6.667 -12.881   2.970
  572    HE3  LYS  72           1HE      LYS  72   7.675 -11.678   3.774
  573    HZ1  LYS  72           3HZ      LYS  72   5.169 -11.578   4.143
  574    HZ2  LYS  72           1HZ      LYS  72   5.080 -10.948   2.572
  575    HZ3  LYS  72           2HZ      LYS  72   5.967 -10.127   3.766
  576    H    ALA  73           H        ALA  73  11.138  -7.589  -0.014
  577    HA   ALA  73           HA       ALA  73  10.840  -7.018  -2.910
  578    HB1  ALA  73           1HB      ALA  73  10.952  -4.822  -1.875
  579    HB2  ALA  73           2HB      ALA  73  12.532  -5.155  -2.585
  580    HB3  ALA  73           3HB      ALA  73  12.289  -5.327  -0.848
  581    H    GLU  74           H        GLU  74  12.516  -7.799  -4.124
  582    HA   GLU  74           HA       GLU  74  14.260  -9.741  -2.816
  583    HB2  GLU  74           2HB      GLU  74  13.857  -9.024  -5.732
  584    HB3  GLU  74           1HB      GLU  74  14.849 -10.363  -5.153
  585    HG2  GLU  74           2HG      GLU  74  11.899 -10.055  -4.507
  586    HG3  GLU  74           1HG      GLU  74  12.513 -11.035  -5.830
  587    H    GLY  75           H        GLY  75  16.282  -9.614  -2.456
  588    HA2  GLY  75           2HA      GLY  75  18.545  -9.012  -2.785
  589    HA3  GLY  75           1HA      GLY  75  18.048  -7.663  -3.796
  590    H    VAL  76           H        VAL  76  16.016  -7.154  -1.417
  591    HA   VAL  76           HA       VAL  76  17.928  -5.861   0.479
  592    HB   VAL  76           HB       VAL  76  16.639  -3.821   0.485
  593   HG11  VAL  76          1HG1      VAL  76  18.312  -4.101  -1.349
  594   HG12  VAL  76          2HG1      VAL  76  17.002  -3.013  -1.794
  595   HG13  VAL  76          3HG1      VAL  76  17.026  -4.665  -2.410
  596   HG21  VAL  76          3HG2      VAL  76  14.699  -5.295  -1.359
  597   HG22  VAL  76          1HG2      VAL  76  14.670  -3.541  -1.147
  598   HG23  VAL  76          2HG2      VAL  76  14.350  -4.599   0.224
  599    H    THR  77           H        THR  77  16.821  -5.276   2.558
  600    HA   THR  77           HA       THR  77  14.703  -7.272   3.276
  601    HB   THR  77           HB       THR  77  16.683  -5.982   5.219
  602    HG1  THR  77           1HG      THR  77  18.039  -7.218   4.165
  603   HG21  THR  77          3HG2      THR  77  14.955  -8.472   5.407
  604   HG22  THR  77          1HG2      THR  77  14.610  -6.931   6.194
  605   HG23  THR  77          2HG2      THR  77  16.035  -7.862   6.661
  606    H    VAL  78           H        VAL  78  12.789  -6.253   3.387
  607    HA   VAL  78           HA       VAL  78  12.624  -3.384   4.039
  608    HB   VAL  78           HB       VAL  78  10.332  -5.328   3.454
  609   HG11  VAL  78          1HG1      VAL  78  10.611  -2.321   3.111
  610   HG12  VAL  78          2HG1      VAL  78   9.724  -3.128   4.405
  611   HG13  VAL  78          3HG1      VAL  78   9.178  -3.276   2.736
  612   HG21  VAL  78          3HG2      VAL  78  10.501  -4.530   1.075
  613   HG22  VAL  78          1HG2      VAL  78  11.872  -5.516   1.577
  614   HG23  VAL  78          2HG2      VAL  78  12.038  -3.771   1.474
  615    H    GLN  79           H        GLN  79  12.006  -2.652   6.061
  616    HA   GLN  79           HA       GLN  79  10.481  -4.371   7.818
  617    HB2  GLN  79           2HB      GLN  79  12.275  -4.054   9.722
  618    HB3  GLN  79           1HB      GLN  79  12.482  -5.343   8.542
  619    HG2  GLN  79           2HG      GLN  79  14.584  -4.120   8.888
  620    HG3  GLN  79           1HG      GLN  79  14.022  -3.942   7.233
  621   HE21  GLN  79          1HE2      GLN  79  14.580  -1.864   6.602
  622   HE22  GLN  79          2HE2      GLN  79  14.301  -0.460   7.516
  623    HA   PRO  80           HA       PRO  80   9.692  -4.204  10.149
  624    HB2  PRO  80           2HB      PRO  80   7.221  -3.407  11.039
  625    HB3  PRO  80           1HB      PRO  80   8.721  -2.909  11.858
  626    HG2  PRO  80           2HG      PRO  80   7.099  -1.386   9.814
  627    HG3  PRO  80           1HG      PRO  80   7.743  -0.811  11.371
  628    HD2  PRO  80           2HD      PRO  80   9.048  -0.288   9.028
  629    HD3  PRO  80           1HD      PRO  80   9.953  -0.607  10.525
  630    H    SER  81           H        SER  81   8.514  -2.491   7.518
  631    HA   SER  81           HA       SER  81   7.339  -3.021   5.645
  632    HB2  SER  81           2HB      SER  81   7.728  -5.165   4.767
  633    HB3  SER  81           1HB      SER  81   9.044  -4.966   5.904
  634    HG   SER  81           HG       SER  81   7.032  -6.765   5.884
  635    H    THR  82           H        THR  82   5.909  -2.879   8.275
  636    HA   THR  82           HA       THR  82   3.366  -4.156   7.404
  637    HB   THR  82           HB       THR  82   2.915  -4.535   9.865
  638    HG1  THR  82           1HG      THR  82   4.480  -3.059  10.634
  639   HG21  THR  82          3HG2      THR  82   4.395  -6.520  10.069
  640   HG22  THR  82          1HG2      THR  82   5.345  -5.937   8.709
  641   HG23  THR  82          2HG2      THR  82   3.668  -6.406   8.468
  642    H    VAL  83           H        VAL  83   1.646  -2.853   7.586
  643    HA   VAL  83           HA       VAL  83   1.648  -0.413   9.206
  644    HB   VAL  83           HB       VAL  83   1.006   1.024   7.221
  645   HG11  VAL  83          1HG1      VAL  83   3.356   1.001   8.216
  646   HG12  VAL  83          2HG1      VAL  83   3.274   1.513   6.536
  647   HG13  VAL  83          3HG1      VAL  83   3.820  -0.111   6.930
  648   HG21  VAL  83          3HG2      VAL  83   2.081  -1.348   5.645
  649   HG22  VAL  83          1HG2      VAL  83   1.657   0.221   4.962
  650   HG23  VAL  83          2HG2      VAL  83   0.407  -0.803   5.663
  651    H    LYS  84           H        LYS  84  -0.490   0.499   9.387
  652    HA   LYS  84           HA       LYS  84  -2.612  -1.518   8.966
  653    HB2  LYS  84           2HB      LYS  84  -2.541   1.066  10.567
  654    HB3  LYS  84           1HB      LYS  84  -3.898  -0.062  10.509
  655    HG2  LYS  84           2HG      LYS  84  -2.466  -1.845  11.437
  656    HG3  LYS  84           1HG      LYS  84  -1.102  -0.727  11.494
  657    HD2  LYS  84           2HD      LYS  84  -2.360   0.730  13.047
  658    HD3  LYS  84           1HD      LYS  84  -3.723  -0.386  12.992
  659    HE2  LYS  84           2HE      LYS  84  -2.296  -2.175  13.926
  660    HE3  LYS  84           1HE      LYS  84  -0.935  -1.054  13.988
  661    HZ1  LYS  84           3HZ      LYS  84  -3.072   0.202  15.231
  662    HZ2  LYS  84           1HZ      LYS  84  -1.660  -0.398  15.957
  663    HZ3  LYS  84           2HZ      LYS  84  -3.038  -1.384  15.838
  664    H    VAL  85           H        VAL  85  -4.225  -1.204   7.531
  665    HA   VAL  85           HA       VAL  85  -4.489   1.436   6.155
  666    HB   VAL  85           HB       VAL  85  -4.704  -1.313   4.870
  667   HG11  VAL  85          1HG1      VAL  85  -6.143   0.360   3.785
  668   HG12  VAL  85          2HG1      VAL  85  -4.759   0.016   2.756
  669   HG13  VAL  85          3HG1      VAL  85  -4.797   1.496   3.710
  670   HG21  VAL  85          3HG2      VAL  85  -2.374  -0.783   5.463
  671   HG22  VAL  85          1HG2      VAL  85  -2.523   0.801   4.701
  672   HG23  VAL  85          2HG2      VAL  85  -2.593  -0.662   3.720
  673    H    ASN  86           H        ASN  86  -6.479   2.220   6.143
  674    HA   ASN  86           HA       ASN  86  -8.766   0.476   6.966
  675    HB2  ASN  86           2HB      ASN  86  -8.415   3.482   7.226
  676    HB3  ASN  86           1HB      ASN  86  -9.816   2.549   7.755
  677   HD21  ASN  86          1HD2      ASN  86  -7.556   4.130   9.255
  678   HD22  ASN  86          2HD2      ASN  86  -7.065   3.033  10.454
  679    H    LEU  87           H        LEU  87 -10.191   0.060   5.424
  680    HA   LEU  87           HA       LEU  87 -10.317   1.754   2.974
  681    HB2  LEU  87           2HB      LEU  87 -11.292  -1.105   3.365
  682    HB3  LEU  87           1HB      LEU  87 -11.134  -0.228   1.842
  683    HG   LEU  87           HG       LEU  87  -8.838  -1.038   3.674
  684   HD11  LEU  87          1HD1      LEU  87  -8.256  -2.597   1.851
  685   HD12  LEU  87          2HD1      LEU  87  -9.679  -2.077   0.947
  686   HD13  LEU  87          3HD1      LEU  87  -9.871  -2.935   2.477
  687   HD21  LEU  87          3HD2      LEU  87  -8.890   0.463   1.019
  688   HD22  LEU  87          1HD2      LEU  87  -7.435  -0.323   1.630
  689   HD23  LEU  87          2HD2      LEU  87  -8.160   0.990   2.535
  690    H    LYS  88           H        LYS  88 -11.918   3.228   3.202
  691    HA   LYS  88           HA       LYS  88 -14.375   2.556   4.670
  692    HB2  LYS  88           2HB      LYS  88 -13.462   5.130   3.332
  693    HB3  LYS  88           1HB      LYS  88 -14.904   4.936   4.326
  694    HG2  LYS  88           2HG      LYS  88 -13.467   4.262   6.250
  695    HG3  LYS  88           1HG      LYS  88 -12.045   4.480   5.238
  696    HD2  LYS  88           2HD      LYS  88 -12.128   6.544   6.411
  697    HD3  LYS  88           1HD      LYS  88 -12.935   6.951   4.902
  698    HE2  LYS  88           2HE      LYS  88 -14.189   7.825   6.834
  699    HE3  LYS  88           1HE      LYS  88 -15.141   6.603   6.007
  700    HZ1  LYS  88           3HZ      LYS  88 -14.931   5.144   7.706
  701    HZ2  LYS  88           1HZ      LYS  88 -14.769   6.573   8.606
  702    HZ3  LYS  88           2HZ      LYS  88 -13.387   5.695   8.152
  703    H    VAL  89           H        VAL  89 -16.166   1.925   3.648
  704    HA   VAL  89           HA       VAL  89 -16.316   2.012   0.681
  705    HB   VAL  89           HB       VAL  89 -17.940   0.384   2.683
  706   HG11  VAL  89          1HG1      VAL  89 -18.557  -0.931   0.656
  707   HG12  VAL  89          2HG1      VAL  89 -17.665   0.214  -0.343
  708   HG13  VAL  89          3HG1      VAL  89 -19.102   0.738   0.530
  709   HG21  VAL  89          3HG2      VAL  89 -16.521  -1.512   1.909
  710   HG22  VAL  89          1HG2      VAL  89 -15.567  -0.275   2.725
  711   HG23  VAL  89          2HG2      VAL  89 -15.547  -0.385   0.965
  712    H    THR  90           H        THR  90 -17.817   3.269  -0.295
  713    HA   THR  90           HA       THR  90 -19.674   4.865   1.395
  714    HB   THR  90           HB       THR  90 -18.829   5.242  -1.505
  715    HG1  THR  90           1HG      THR  90 -17.497   5.647   0.716
  716   HG21  THR  90          3HG2      THR  90 -19.753   7.530  -1.154
  717   HG22  THR  90          1HG2      THR  90 -20.318   7.040   0.441
  718   HG23  THR  90          2HG2      THR  90 -20.997   6.292  -1.005
  719    H    GLN  91           H        GLN  91 -21.709   4.093   1.513
  720    HA   GLN  91           HA       GLN  91 -22.700   2.096  -0.345
  721    HB2  GLN  91           2HB      GLN  91 -24.115   3.583   1.898
  722    HB3  GLN  91           1HB      GLN  91 -24.713   2.146   1.070
  723    HG2  GLN  91           2HG      GLN  91 -22.141   2.289   2.686
  724    HG3  GLN  91           1HG      GLN  91 -23.654   1.600   3.258
  725   HE21  GLN  91          1HE2      GLN  91 -20.729   0.662   2.059
  726   HE22  GLN  91          2HE2      GLN  91 -21.178  -0.773   1.274
  727    H    LYS  92           H        LYS  92 -23.947   2.436  -2.112
  728    HA   LYS  92           HA       LYS  92 -24.299   5.043  -3.163
  729    HB2  LYS  92           2HB      LYS  92 -24.203   2.940  -4.525
  730    HB3  LYS  92           1HB      LYS  92 -25.812   2.518  -3.943
  731    HG2  LYS  92           2HG      LYS  92 -26.728   4.591  -4.941
  732    HG3  LYS  92           1HG      LYS  92 -25.114   5.049  -5.486
  733    HD2  LYS  92           2HD      LYS  92 -25.014   3.003  -6.883
  734    HD3  LYS  92           1HD      LYS  92 -26.634   2.563  -6.343
  735    HE2  LYS  92           2HE      LYS  92 -27.534   4.640  -7.328
  736    HE3  LYS  92           1HE      LYS  92 -25.915   5.090  -7.864
  737    HZ1  LYS  92           3HZ      LYS  92 -27.213   2.546  -8.649
  738    HZ2  LYS  92           1HZ      LYS  92 -25.835   3.268  -9.326
  739    HZ3  LYS  92           2HZ      LYS  92 -27.364   3.972  -9.559
  740    H    LEU  93           H        LEU  93 -26.006   6.456  -3.094
  741    HA   LEU  93           HA       LEU  93 -27.892   6.230  -0.951
  742    HB2  LEU  93           2HB      LEU  93 -27.478   8.170  -3.244
  743    HB3  LEU  93           1HB      LEU  93 -28.892   8.325  -2.210
  744    HG   LEU  93           HG       LEU  93 -27.001   9.788  -1.487
  745   HD11  LEU  93          1HD1      LEU  93 -27.232   7.808   0.779
  746   HD12  LEU  93          2HD1      LEU  93 -28.715   8.545   0.185
  747   HD13  LEU  93          3HD1      LEU  93 -27.409   9.558   0.776
  748   HD21  LEU  93          3HD2      LEU  93 -25.531   7.237  -0.713
  749   HD22  LEU  93          1HD2      LEU  93 -24.939   8.896  -0.625
  750   HD23  LEU  93          2HD2      LEU  93 -25.181   8.133  -2.194
  751    H    GLU  94           H        GLU  94 -29.869   5.382  -0.930
  752    HA   GLU  94           HA       GLU  94 -30.940   4.038  -3.305
  753    HB2  GLU  94           2HB      GLU  94 -31.897   4.186  -0.423
  754    HB3  GLU  94           1HB      GLU  94 -32.600   3.158  -1.674
  755    HG2  GLU  94           2HG      GLU  94 -30.420   2.016  -1.955
  756    HG3  GLU  94           1HG      GLU  94 -29.724   3.038  -0.703
  757    H    HIS  95           H        HIS  95 -33.601   4.194  -3.028
  758    HA   HIS  95           HA       HIS  95 -34.289   6.688  -4.177
  759    HB2  HIS  95           2HB      HIS  95 -36.639   5.852  -3.910
  760    HB3  HIS  95           1HB      HIS  95 -35.564   4.665  -4.651
  761    HD2  HIS  95           2HD      HIS  95 -35.306   2.282  -3.228
  762    HE1  HIS  95           1HE      HIS  95 -37.362   3.497   0.254
  763    HE2  HIS  95           2HE      HIS  95 -36.277   1.527  -0.925
  764    H    HIS  96           H        HIS  96 -35.283   8.499  -3.331
  765    HA   HIS  96           HA       HIS  96 -34.760   9.230  -0.654
  766    HB2  HIS  96           2HB      HIS  96 -36.743  10.423  -2.622
  767    HB3  HIS  96           1HB      HIS  96 -36.160  11.210  -1.155
  768    HD2  HIS  96           2HD      HIS  96 -35.144  10.910  -4.826
  769    HE1  HIS  96           1HE      HIS  96 -31.693  12.218  -2.777
  770    HE2  HIS  96           2HE      HIS  96 -32.731  11.874  -5.069
  771    H    HIS  97           H        HIS  97 -37.784   8.250  -2.260
  772    HA   HIS  97           HA       HIS  97 -38.817   6.971   0.086
  773    HB2  HIS  97           2HB      HIS  97 -40.744   8.500   0.453
  774    HB3  HIS  97           1HB      HIS  97 -39.204   9.284   0.804
  775    HD2  HIS  97           2HD      HIS  97 -39.118  11.769  -0.369
  776    HE1  HIS  97           1HE      HIS  97 -41.579  10.968  -3.706
  777    HE2  HIS  97           2HE      HIS  97 -40.206  12.753  -2.531
  778    H    HIS  98           H        HIS  98 -40.864   5.951  -0.297
  779    HA   HIS  98           HA       HIS  98 -41.208   5.040  -2.997
  780    HB2  HIS  98           2HB      HIS  98 -43.000   4.691  -0.567
  781    HB3  HIS  98           1HB      HIS  98 -43.110   3.772  -2.069
  782    HD2  HIS  98           2HD      HIS  98 -41.027   1.848  -2.445
  783    HE1  HIS  98           1HE      HIS  98 -39.334   2.318   1.395
  784    HE2  HIS  98           2HE      HIS  98 -39.318   0.900  -0.713
  785    H    HIS  99           H        HIS  99 -42.861   5.494  -4.456
  786    HA   HIS  99           HA       HIS  99 -45.044   7.287  -3.810
  787    HB2  HIS  99           2HB      HIS  99 -43.140   8.884  -4.086
  788    HB3  HIS  99           1HB      HIS  99 -42.883   8.270  -5.718
  789    HD2  HIS  99           2HD      HIS  99 -44.560   9.402  -7.642
  790    HE1  HIS  99           1HE      HIS  99 -47.165  11.412  -4.995
  791    HE2  HIS  99           2HE      HIS  99 -46.579  11.046  -7.440
  792    H    HIS 100           H        HIS 100 -43.827   4.751  -5.392
  793    HA   HIS 100           HA       HIS 100 -44.461   3.458  -7.177
  794    HB2  HIS 100           2HB      HIS 100 -47.056   5.011  -6.899
  795    HB3  HIS 100           1HB      HIS 100 -46.852   3.463  -7.719
  796    HD2  HIS 100           2HD      HIS 100 -47.740   4.709  -4.244
  797    HE1  HIS 100           1HE      HIS 100 -46.302   0.778  -3.690
  798    HE2  HIS 100           2HE      HIS 100 -47.516   2.712  -2.578
  Start of MODEL    5
    1    H1   LYS   1           1HT      LYS   1  37.361   0.434   4.442
    2    H2   LYS   1           2HT      LYS   1  36.994   1.031   2.893
    3    H3   LYS   1           3HT      LYS   1  38.356   0.045   3.125
    4    HA   LYS   1           HA       LYS   1  35.733  -0.715   2.498
    5    HB2  LYS   1           2HB      LYS   1  37.887  -1.630   1.601
    6    HB3  LYS   1           1HB      LYS   1  38.192  -2.384   3.164
    7    HG2  LYS   1           2HG      LYS   1  36.128  -3.722   2.942
    8    HG3  LYS   1           1HG      LYS   1  35.777  -2.936   1.401
    9    HD2  LYS   1           2HD      LYS   1  37.889  -3.845   0.468
   10    HD3  LYS   1           1HD      LYS   1  38.213  -4.647   2.005
   11    HE2  LYS   1           2HE      LYS   1  35.818  -5.151   0.208
   12    HE3  LYS   1           1HE      LYS   1  37.200  -6.227   0.413
   13    HZ1  LYS   1           2HZ      LYS   1  36.307  -5.664   2.956
   14    HZ2  LYS   1           3HZ      LYS   1  36.111  -7.122   2.105
   15    HZ3  LYS   1           1HZ      LYS   1  34.898  -5.937   2.047
   16    H    ILE   2           H        ILE   2  37.803  -1.449   5.308
   17    HA   ILE   2           HA       ILE   2  35.876  -3.060   6.666
   18    HB   ILE   2           HB       ILE   2  37.387  -2.743   8.635
   19   HG12  ILE   2          2HG1      ILE   2  39.010  -0.958   6.757
   20   HG13  ILE   2          1HG1      ILE   2  38.025  -0.340   8.075
   21   HG21  ILE   2          1HG2      ILE   2  39.343  -3.854   7.619
   22   HG22  ILE   2          2HG2      ILE   2  38.830  -3.318   6.021
   23   HG23  ILE   2          3HG2      ILE   2  37.853  -4.479   6.918
   24   HD11  ILE   2          3HD1      ILE   2  40.394  -2.212   8.357
   25   HD12  ILE   2          1HD1      ILE   2  39.354  -1.693   9.684
   26   HD13  ILE   2          2HD1      ILE   2  40.333  -0.512   8.817
   27    H    SER   3           H        SER   3  36.369   0.368   6.411
   28    HA   SER   3           HA       SER   3  35.079   1.246   8.763
   29    HB2  SER   3           2HB      SER   3  35.223   2.563   6.038
   30    HB3  SER   3           1HB      SER   3  34.767   3.370   7.537
   31    HG   SER   3           HG       SER   3  36.852   2.702   8.348
   32    H    LEU   4           H        LEU   4  32.928   1.764   9.201
   33    HA   LEU   4           HA       LEU   4  30.952   0.162   7.954
   34    HB2  LEU   4           2HB      LEU   4  30.808   0.905  10.315
   35    HB3  LEU   4           1HB      LEU   4  30.604   2.566   9.775
   36    HG   LEU   4           HG       LEU   4  28.471   1.944   8.653
   37   HD11  LEU   4          1HD1      LEU   4  28.627  -0.323   8.015
   38   HD12  LEU   4          2HD1      LEU   4  27.510  -0.399   9.369
   39   HD13  LEU   4          3HD1      LEU   4  29.204  -0.845   9.599
   40   HD21  LEU   4          3HD2      LEU   4  27.160   1.551  10.710
   41   HD22  LEU   4          1HD2      LEU   4  28.438   2.733  10.989
   42   HD23  LEU   4          2HD2      LEU   4  28.631   1.074  11.557
   43    H    ARG   5           H        ARG   5  29.234   0.738   6.607
   44    HA   ARG   5           HA       ARG   5  28.924   3.405   5.540
   45    HB2  ARG   5           2HB      ARG   5  29.490   2.743   3.188
   46    HB3  ARG   5           1HB      ARG   5  30.892   2.752   4.258
   47    HG2  ARG   5           2HG      ARG   5  30.701   0.301   4.543
   48    HG3  ARG   5           1HG      ARG   5  29.301   0.279   3.476
   49    HD2  ARG   5           2HD      ARG   5  30.686   1.185   1.644
   50    HD3  ARG   5           1HD      ARG   5  32.087   1.185   2.715
   51    HE   ARG   5           HE       ARG   5  30.875  -1.409   2.575
   52   HH11  ARG   5          1HH2      ARG   5  32.912   0.815   0.847
   53   HH12  ARG   5          2HH2      ARG   5  33.755  -0.424  -0.020
   54   HH21  ARG   5          1HH1      ARG   5  31.985  -3.025   1.436
   55   HH22  ARG   5          2HH1      ARG   5  33.231  -2.593   0.313
   56    H    LYS   6           H        LYS   6  27.201   1.679   6.880
   57    HA   LYS   6           HA       LYS   6  25.545   0.079   5.274
   58    HB2  LYS   6           2HB      LYS   6  23.813   0.498   7.030
   59    HB3  LYS   6           1HB      LYS   6  25.378   0.072   7.720
   60    HG2  LYS   6           2HG      LYS   6  25.869   2.475   8.091
   61    HG3  LYS   6           1HG      LYS   6  24.294   2.902   7.424
   62    HD2  LYS   6           2HD      LYS   6  23.187   1.589   9.210
   63    HD3  LYS   6           1HD      LYS   6  24.769   1.210   9.896
   64    HE2  LYS   6           2HE      LYS   6  23.603   3.993   9.557
   65    HE3  LYS   6           1HE      LYS   6  23.761   3.120  11.081
   66    HZ1  LYS   6           3HZ      LYS   6  26.251   3.062   9.871
   67    HZ2  LYS   6           1HZ      LYS   6  25.796   3.942  11.248
   68    HZ3  LYS   6           2HZ      LYS   6  25.693   4.658   9.710
   69    H    LEU   7           H        LEU   7  23.459   0.562   4.331
   70    HA   LEU   7           HA       LEU   7  22.973   3.406   3.648
   71    HB2  LEU   7           2HB      LEU   7  24.143   2.146   1.780
   72    HB3  LEU   7           1HB      LEU   7  22.758   1.063   1.721
   73    HG   LEU   7           HG       LEU   7  21.278   3.047   1.254
   74   HD11  LEU   7          1HD1      LEU   7  23.882   4.546   1.531
   75   HD12  LEU   7          2HD1      LEU   7  22.253   5.008   2.012
   76   HD13  LEU   7          3HD1      LEU   7  22.726   5.119   0.328
   77   HD21  LEU   7          3HD2      LEU   7  21.986   3.320  -1.082
   78   HD22  LEU   7          1HD2      LEU   7  22.179   1.641  -0.578
   79   HD23  LEU   7          2HD2      LEU   7  23.587   2.698  -0.685
   80    H    SER   8           H        SER   8  20.842   3.971   3.469
   81    HA   SER   8           HA       SER   8  18.701   2.028   3.538
   82    HB2  SER   8           2HB      SER   8  19.157   3.749   5.998
   83    HB3  SER   8           1HB      SER   8  17.798   2.662   5.717
   84    HG   SER   8           HG       SER   8  19.056   1.244   6.622
   85    H    LYS   9           H        LYS   9  16.826   2.929   2.862
   86    HA   LYS   9           HA       LYS   9  16.486   5.846   2.758
   87    HB2  LYS   9           2HB      LYS   9  16.674   4.081   0.287
   88    HB3  LYS   9           1HB      LYS   9  15.989   5.707   0.271
   89    HG2  LYS   9           2HG      LYS   9  18.165   6.601   1.111
   90    HG3  LYS   9           1HG      LYS   9  18.845   4.979   1.031
   91    HD2  LYS   9           2HD      LYS   9  18.437   4.878  -1.374
   92    HD3  LYS   9           1HD      LYS   9  17.720   6.490  -1.334
   93    HE2  LYS   9           2HE      LYS   9  19.873   7.416  -0.522
   94    HE3  LYS   9           1HE      LYS   9  20.578   5.804  -0.590
   95    HZ1  LYS   9           3HZ      LYS   9  19.904   7.628  -2.756
   96    HZ2  LYS   9           1HZ      LYS   9  19.636   5.978  -3.047
   97    HZ3  LYS   9           2HZ      LYS   9  21.188   6.524  -2.622
   98    H    SER  10           H        SER  10  14.365   6.393   1.884
   99    HA   SER  10           HA       SER  10  12.276   4.353   2.548
  100    HB2  SER  10           2HB      SER  10  10.885   6.218   3.301
  101    HB3  SER  10           1HB      SER  10  12.419   6.237   4.172
  102    HG   SER  10           HG       SER  10  11.491   7.908   2.108
  103    H    VAL  11           H        VAL  11  10.688   4.029   1.058
  104    HA   VAL  11           HA       VAL  11  10.640   5.734  -1.386
  105    HB   VAL  11           HB       VAL  11  10.078   3.613  -2.649
  106   HG11  VAL  11          1HG1      VAL  11  12.403   2.791  -2.728
  107   HG12  VAL  11          2HG1      VAL  11  12.761   3.647  -1.226
  108   HG13  VAL  11          3HG1      VAL  11  12.357   4.553  -2.683
  109   HG21  VAL  11          3HG2      VAL  11  10.629   1.456  -1.578
  110   HG22  VAL  11          1HG2      VAL  11   9.341   2.263  -0.690
  111   HG23  VAL  11          2HG2      VAL  11  10.988   2.283  -0.062
  112    HA   PRO  12           HA       PRO  12   6.273   5.933  -0.335
  113    HB2  PRO  12           2HB      PRO  12   5.189   6.933  -2.632
  114    HB3  PRO  12           1HB      PRO  12   6.290   7.913  -1.632
  115    HG2  PRO  12           2HG      PRO  12   6.936   6.281  -4.086
  116    HG3  PRO  12           1HG      PRO  12   7.352   7.977  -3.743
  117    HD2  PRO  12           2HD      PRO  12   9.148   5.969  -3.297
  118    HD3  PRO  12           1HD      PRO  12   9.064   7.385  -2.219
  119    H    VAL  13           H        VAL  13   4.512   4.599  -0.424
  120    HA   VAL  13           HA       VAL  13   4.597   2.262  -2.246
  121    HB   VAL  13           HB       VAL  13   4.334   1.958   0.241
  122   HG11  VAL  13          1HG1      VAL  13   1.499   3.027  -0.107
  123   HG12  VAL  13          2HG1      VAL  13   2.808   4.028   0.500
  124   HG13  VAL  13          3HG1      VAL  13   2.317   2.594   1.396
  125   HG21  VAL  13          3HG2      VAL  13   3.553   0.239  -1.358
  126   HG22  VAL  13          1HG2      VAL  13   1.979   1.029  -1.435
  127   HG23  VAL  13          2HG2      VAL  13   2.525   0.300   0.072
  128    H    LYS  14           H        LYS  14   3.112   1.996  -3.842
  129    HA   LYS  14           HA       LYS  14   0.970   4.065  -4.184
  130    HB2  LYS  14           2HB      LYS  14   2.798   2.616  -6.091
  131    HB3  LYS  14           1HB      LYS  14   1.154   2.886  -6.657
  132    HG2  LYS  14           2HG      LYS  14   2.595   4.713  -7.386
  133    HG3  LYS  14           1HG      LYS  14   1.419   5.323  -6.227
  134    HD2  LYS  14           2HD      LYS  14   3.100   5.268  -4.440
  135    HD3  LYS  14           1HD      LYS  14   4.274   4.549  -5.534
  136    HE2  LYS  14           2HE      LYS  14   3.015   7.292  -5.837
  137    HE3  LYS  14           1HE      LYS  14   4.665   6.968  -5.309
  138    HZ1  LYS  14           3HZ      LYS  14   4.781   7.450  -7.595
  139    HZ2  LYS  14           1HZ      LYS  14   3.471   6.441  -7.969
  140    HZ3  LYS  14           2HZ      LYS  14   4.951   5.763  -7.482
  141    H    LEU  15           H        LEU  15  -1.105   3.393  -4.184
  142    HA   LEU  15           HA       LEU  15  -1.689   0.494  -3.910
  143    HB2  LEU  15           2HB      LEU  15  -2.370   2.196  -2.093
  144    HB3  LEU  15           1HB      LEU  15  -3.492   2.864  -3.267
  145    HG   LEU  15           HG       LEU  15  -4.283   0.275  -3.482
  146   HD11  LEU  15          1HD1      LEU  15  -2.533  -0.574  -1.920
  147   HD12  LEU  15          2HD1      LEU  15  -4.158  -0.909  -1.339
  148   HD13  LEU  15          3HD1      LEU  15  -3.225   0.409  -0.631
  149   HD21  LEU  15          3HD2      LEU  15  -5.068   2.046  -1.141
  150   HD22  LEU  15          1HD2      LEU  15  -6.015   0.693  -1.757
  151   HD23  LEU  15          2HD2      LEU  15  -5.761   2.119  -2.761
  152    H    GLU  16           H        GLU  16  -2.787  -0.496  -5.512
  153    HA   GLU  16           HA       GLU  16  -4.156   1.153  -7.597
  154    HB2  GLU  16           2HB      GLU  16  -1.990   0.169  -8.381
  155    HB3  GLU  16           1HB      GLU  16  -2.617  -1.437  -8.024
  156    HG2  GLU  16           2HG      GLU  16  -4.460  -1.087  -9.635
  157    HG3  GLU  16           1HG      GLU  16  -3.876   0.541  -9.961
  158    H    LEU  17           H        LEU  17  -6.252   0.847  -7.313
  159    HA   LEU  17           HA       LEU  17  -7.410  -1.430  -6.025
  160    HB2  LEU  17           2HB      LEU  17  -9.542  -0.415  -6.682
  161    HB3  LEU  17           1HB      LEU  17  -8.458   0.762  -5.959
  162    HG   LEU  17           HG       LEU  17  -7.812   0.981  -8.708
  163   HD11  LEU  17          1HD1      LEU  17 -10.835   0.741  -8.522
  164   HD12  LEU  17          2HD1      LEU  17  -9.787  -0.481  -9.232
  165   HD13  LEU  17          3HD1      LEU  17  -9.880   1.124  -9.955
  166   HD21  LEU  17          3HD2      LEU  17  -9.871   2.612  -7.174
  167   HD22  LEU  17          1HD2      LEU  17  -9.031   3.126  -8.640
  168   HD23  LEU  17          2HD2      LEU  17  -8.126   2.873  -7.149
  169    H    THR  18           H        THR  18  -8.041  -3.324  -6.884
  170    HA   THR  18           HA       THR  18  -8.176  -3.657  -9.849
  171    HB   THR  18           HB       THR  18  -7.250  -5.907  -9.546
  172    HG1  THR  18           1HG      THR  18  -7.570  -5.197  -6.890
  173   HG21  THR  18          3HG2      THR  18  -5.701  -4.016  -9.949
  174   HG22  THR  18          1HG2      THR  18  -4.953  -5.261  -8.946
  175   HG23  THR  18          2HG2      THR  18  -5.555  -3.779  -8.208
  176    H    GLY  19           H        GLY  19  -9.941  -4.637 -10.601
  177    HA2  GLY  19           2HA      GLY  19 -11.666  -6.365 -10.405
  178    HA3  GLY  19           1HA      GLY  19 -11.866  -5.943  -8.711
  179    H    ASP  20           H        ASP  20 -14.032  -6.027 -10.374
  180    HA   ASP  20           HA       ASP  20 -14.706  -3.387 -11.400
  181    HB2  ASP  20           2HB      ASP  20 -16.928  -4.399 -11.788
  182    HB3  ASP  20           1HB      ASP  20 -15.638  -5.399 -12.446
  183    H    LYS  21           H        LYS  21 -15.843  -1.798 -10.339
  184    HA   LYS  21           HA       LYS  21 -16.023  -1.832  -7.495
  185    HB2  LYS  21           2HB      LYS  21 -17.324   0.007  -9.533
  186    HB3  LYS  21           1HB      LYS  21 -17.207   0.326  -7.799
  187    HG2  LYS  21           2HG      LYS  21 -14.742   0.256  -7.944
  188    HG3  LYS  21           1HG      LYS  21 -14.849  -0.066  -9.677
  189    HD2  LYS  21           2HD      LYS  21 -15.993   2.095 -10.017
  190    HD3  LYS  21           1HD      LYS  21 -15.905   2.421  -8.286
  191    HE2  LYS  21           2HE      LYS  21 -14.081   3.576  -9.460
  192    HE3  LYS  21           1HE      LYS  21 -13.425   2.318  -8.411
  193    HZ1  LYS  21           3HZ      LYS  21 -12.967   0.950 -10.194
  194    HZ2  LYS  21           1HZ      LYS  21 -12.593   2.482 -10.820
  195    HZ3  LYS  21           2HZ      LYS  21 -14.064   1.736 -11.229
  196    H    ALA  22           H        ALA  22 -17.722  -2.271  -6.158
  197    HA   ALA  22           HA       ALA  22 -19.820  -3.959  -7.031
  198    HB1  ALA  22           1HB      ALA  22 -19.247  -2.436  -4.489
  199    HB2  ALA  22           2HB      ALA  22 -19.162  -4.172  -4.751
  200    HB3  ALA  22           3HB      ALA  22 -20.730  -3.371  -4.647
  201    H    SER  23           H        SER  23 -21.950  -3.580  -7.483
  202    HA   SER  23           HA       SER  23 -22.680  -1.053  -8.579
  203    HB2  SER  23           2HB      SER  23 -23.578  -3.180  -9.430
  204    HB3  SER  23           1HB      SER  23 -24.424  -3.436  -7.908
  205    HG   SER  23           HG       SER  23 -25.886  -2.051  -8.516
  206    H    ASN  24           H        ASN  24 -22.960  -2.382  -5.385
  207    HA   ASN  24           HA       ASN  24 -25.053  -0.468  -4.562
  208    HB2  ASN  24           2HB      ASN  24 -24.924  -1.688  -2.402
  209    HB3  ASN  24           1HB      ASN  24 -25.249  -2.762  -3.760
  210   HD21  ASN  24          1HD2      ASN  24 -22.877  -1.924  -1.299
  211   HD22  ASN  24          2HD2      ASN  24 -21.804  -3.191  -1.650
  212    H    VAL  25           H        VAL  25 -21.868  -0.212  -5.101
  213    HA   VAL  25           HA       VAL  25 -21.349   1.618  -2.781
  214    HB   VAL  25           HB       VAL  25 -19.381   0.021  -4.456
  215   HG11  VAL  25          1HG1      VAL  25 -18.396   2.157  -3.714
  216   HG12  VAL  25          2HG1      VAL  25 -17.717   0.827  -2.799
  217   HG13  VAL  25          3HG1      VAL  25 -18.952   1.852  -2.069
  218   HG21  VAL  25          3HG2      VAL  25 -20.249  -0.266  -1.556
  219   HG22  VAL  25          1HG2      VAL  25 -19.011  -1.234  -2.356
  220   HG23  VAL  25          2HG2      VAL  25 -20.694  -1.359  -2.864
  221    H    SER  26           H        SER  26 -21.186   3.692  -3.297
  222    HA   SER  26           HA       SER  26 -21.306   4.642  -6.026
  223    HB2  SER  26           2HB      SER  26 -22.425   6.004  -4.421
  224    HB3  SER  26           1HB      SER  26 -21.059   5.964  -3.317
  225    HG   SER  26           HG       SER  26 -20.244   7.603  -4.342
  226    H    SER  27           H        SER  27 -18.867   4.660  -3.433
  227    HA   SER  27           HA       SER  27 -16.676   4.582  -5.340
  228    HB2  SER  27           2HB      SER  27 -17.204   6.993  -5.342
  229    HB3  SER  27           1HB      SER  27 -17.061   7.031  -3.588
  230    HG   SER  27           HG       SER  27 -15.149   7.332  -5.347
  231    H    ILE  28           H        ILE  28 -14.578   4.550  -4.206
  232    HA   ILE  28           HA       ILE  28 -14.709   3.600  -1.377
  233    HB   ILE  28           HB       ILE  28 -13.104   2.295  -3.614
  234   HG12  ILE  28          2HG1      ILE  28 -15.469   1.185  -2.039
  235   HG13  ILE  28          1HG1      ILE  28 -15.617   1.849  -3.664
  236   HG21  ILE  28          1HG2      ILE  28 -11.937   2.160  -1.447
  237   HG22  ILE  28          2HG2      ILE  28 -12.598   0.583  -1.834
  238   HG23  ILE  28          3HG2      ILE  28 -13.414   1.611  -0.660
  239   HD11  ILE  28          3HD1      ILE  28 -15.440  -0.560  -3.820
  240   HD12  ILE  28          1HD1      ILE  28 -13.960  -0.554  -2.860
  241   HD13  ILE  28          2HD1      ILE  28 -13.971   0.162  -4.473
  242    H    SER  29           H        SER  29 -12.982   4.116  -0.131
  243    HA   SER  29           HA       SER  29 -10.711   5.642  -1.301
  244    HB2  SER  29           2HB      SER  29 -10.882   7.301   0.475
  245    HB3  SER  29           1HB      SER  29 -12.407   7.245  -0.409
  246    HG   SER  29           HG       SER  29 -11.760   6.127   2.109
  247    H    TYR  30           H        TYR  30  -8.904   5.796   0.207
  248    HA   TYR  30           HA       TYR  30  -8.794   3.756   2.347
  249    HB2  TYR  30           2HB      TYR  30  -6.713   2.821   1.409
  250    HB3  TYR  30           1HB      TYR  30  -8.071   2.594   0.310
  251    HD1  TYR  30           2HD      TYR  30  -4.940   4.487   0.895
  252    HD2  TYR  30           1HD      TYR  30  -8.230   3.862  -1.808
  253    HE1  TYR  30           2HE      TYR  30  -3.729   5.726  -0.871
  254    HE2  TYR  30           1HE      TYR  30  -7.011   5.106  -3.569
  255    HH   TYR  30           HH       TYR  30  -5.263   6.618  -3.877
  256    H    SER  31           H        SER  31  -6.926   3.960   3.691
  257    HA   SER  31           HA       SER  31  -5.360   6.457   3.524
  258    HB2  SER  31           2HB      SER  31  -5.982   7.065   5.860
  259    HB3  SER  31           1HB      SER  31  -7.357   7.142   4.762
  260    HG   SER  31           HG       SER  31  -7.917   5.025   5.487
  261    H    PHE  32           H        PHE  32  -3.660   6.519   5.135
  262    HA   PHE  32           HA       PHE  32  -2.886   3.954   6.381
  263    HB2  PHE  32           2HB      PHE  32  -0.600   4.172   5.311
  264    HB3  PHE  32           1HB      PHE  32  -1.889   3.757   4.184
  265    HD1  PHE  32           2HD      PHE  32   0.151   6.617   5.484
  266    HD2  PHE  32           1HD      PHE  32  -2.456   5.251   2.343
  267    HE1  PHE  32           2HE      PHE  32   0.662   8.647   4.171
  268    HE2  PHE  32           1HE      PHE  32  -1.937   7.285   1.038
  269    HZ   PHE  32           HZ       PHE  32  -0.380   8.984   1.949
  270    H    ASP  33           H        ASP  33  -1.572   4.210   8.145
  271    HA   ASP  33           HA       ASP  33  -1.515   6.789   9.415
  272    HB2  ASP  33           2HB      ASP  33  -1.773   4.676  10.674
  273    HB3  ASP  33           1HB      ASP  33  -0.148   4.194  10.196
  274    H    ARG  34           H        ARG  34   0.843   4.786   7.707
  275    HA   ARG  34           HA       ARG  34   2.870   6.982   7.849
  276    HB2  ARG  34           2HB      ARG  34   3.321   3.977   7.858
  277    HB3  ARG  34           1HB      ARG  34   4.591   5.205   7.827
  278    HG2  ARG  34           2HG      ARG  34   3.845   6.068  10.007
  279    HG3  ARG  34           1HG      ARG  34   2.530   4.891  10.041
  280    HD2  ARG  34           2HD      ARG  34   4.402   4.070  11.391
  281    HD3  ARG  34           1HD      ARG  34   4.211   3.048   9.968
  282    HE   ARG  34           HE       ARG  34   6.057   5.134   9.410
  283   HH11  ARG  34          1HH2      ARG  34   5.727   2.208  11.253
  284   HH12  ARG  34          2HH2      ARG  34   7.419   1.839  11.216
  285   HH21  ARG  34          1HH1      ARG  34   8.266   4.645   9.364
  286   HH22  ARG  34          2HH1      ARG  34   8.853   3.217  10.150
  287    H    GLY  35           H        GLY  35   1.996   4.023   6.069
  288    HA2  GLY  35           2HA      GLY  35   1.998   3.539   3.822
  289    HA3  GLY  35           1HA      GLY  35   1.753   5.259   3.554
  290    H    HIS  36           H        HIS  36   4.574   4.183   5.296
  291    HA   HIS  36           HA       HIS  36   6.314   4.152   2.946
  292    HB2  HIS  36           2HB      HIS  36   7.770   5.952   3.790
  293    HB3  HIS  36           1HB      HIS  36   6.155   6.571   3.456
  294    HD2  HIS  36           2HD      HIS  36   5.198   8.057   5.580
  295    HE1  HIS  36           1HE      HIS  36   7.452   6.249   8.656
  296    HE2  HIS  36           2HE      HIS  36   5.727   8.038   8.138
  297    H    VAL  37           H        VAL  37   8.096   2.921   3.320
  298    HA   VAL  37           HA       VAL  37   8.719   2.034   6.104
  299    HB   VAL  37           HB       VAL  37   9.067  -0.256   5.216
  300   HG11  VAL  37          1HG1      VAL  37   6.298   0.880   4.676
  301   HG12  VAL  37          2HG1      VAL  37   6.907   0.362   6.249
  302   HG13  VAL  37          3HG1      VAL  37   6.672  -0.817   4.965
  303   HG21  VAL  37          3HG2      VAL  37   7.838   0.879   2.671
  304   HG22  VAL  37          1HG2      VAL  37   8.179  -0.824   2.964
  305   HG23  VAL  37          2HG2      VAL  37   9.502   0.324   2.839
  306    H    THR  38           H        THR  38  10.902   1.128   6.288
  307    HA   THR  38           HA       THR  38  12.817   2.600   4.560
  308    HB   THR  38           HB       THR  38  13.244   1.262   7.265
  309    HG1  THR  38           1HG      THR  38  11.787   3.062   7.263
  310   HG21  THR  38          3HG2      THR  38  15.288   2.681   7.297
  311   HG22  THR  38          1HG2      THR  38  14.931   3.211   5.654
  312   HG23  THR  38          2HG2      THR  38  15.324   1.522   5.973
  313    H    ILE  39           H        ILE  39  14.208   1.520   3.283
  314    HA   ILE  39           HA       ILE  39  14.280  -1.470   3.354
  315    HB   ILE  39           HB       ILE  39  14.892  -1.226   0.894
  316   HG12  ILE  39          2HG1      ILE  39  13.915   1.638   1.275
  317   HG13  ILE  39          1HG1      ILE  39  15.614   1.219   1.103
  318   HG21  ILE  39          1HG2      ILE  39  12.584  -1.769   1.627
  319   HG22  ILE  39          2HG2      ILE  39  12.572  -0.803   0.163
  320   HG23  ILE  39          3HG2      ILE  39  12.205  -0.054   1.718
  321   HD11  ILE  39          3HD1      ILE  39  13.423   0.759  -0.938
  322   HD12  ILE  39          1HD1      ILE  39  15.086   0.191  -1.112
  323   HD13  ILE  39          2HD1      ILE  39  14.745   1.922  -1.046
  324    H    VAL  40           H        VAL  40  16.262  -2.473   3.234
  325    HA   VAL  40           HA       VAL  40  18.710  -0.756   3.375
  326    HB   VAL  40           HB       VAL  40  18.118  -3.247   5.017
  327   HG11  VAL  40          1HG1      VAL  40  20.518  -3.014   4.533
  328   HG12  VAL  40          2HG1      VAL  40  20.222  -2.588   6.213
  329   HG13  VAL  40          3HG1      VAL  40  20.473  -1.318   5.015
  330   HG21  VAL  40          3HG2      VAL  40  18.239  -0.312   5.812
  331   HG22  VAL  40          1HG2      VAL  40  18.052  -1.663   6.932
  332   HG23  VAL  40          2HG2      VAL  40  16.783  -1.308   5.761
  333    H    GLY  41           H        GLY  41  20.313  -1.349   2.071
  334    HA2  GLY  41           2HA      GLY  41  21.111  -3.895   1.307
  335    HA3  GLY  41           1HA      GLY  41  19.945  -3.390   0.094
  336    H    SER  42           H        SER  42  21.776  -3.558  -1.377
  337    HA   SER  42           HA       SER  42  24.002  -1.723  -1.190
  338    HB2  SER  42           2HB      SER  42  22.987  -3.344  -3.542
  339    HB3  SER  42           1HB      SER  42  24.549  -2.535  -3.436
  340    HG   SER  42           HG       SER  42  23.630  -4.477  -1.582
  341    H    GLN  43           H        GLN  43  24.426  -0.035  -2.802
  342    HA   GLN  43           HA       GLN  43  22.303   1.816  -3.025
  343    HB2  GLN  43           2HB      GLN  43  24.755   2.383  -2.925
  344    HB3  GLN  43           1HB      GLN  43  24.921   1.775  -4.567
  345    HG2  GLN  43           2HG      GLN  43  24.682   4.194  -4.672
  346    HG3  GLN  43           1HG      GLN  43  23.207   3.483  -5.311
  347   HE21  GLN  43          1HE2      GLN  43  21.289   4.240  -4.388
  348   HE22  GLN  43          2HE2      GLN  43  21.192   5.072  -2.913
  349    H    GLU  44           H        GLU  44  23.746  -0.435  -5.344
  350    HA   GLU  44           HA       GLU  44  22.328   0.469  -7.626
  351    HB2  GLU  44           2HB      GLU  44  22.982  -1.713  -8.613
  352    HB3  GLU  44           1HB      GLU  44  24.335  -0.905  -7.820
  353    HG2  GLU  44           2HG      GLU  44  23.936  -2.319  -5.790
  354    HG3  GLU  44           1HG      GLU  44  22.673  -3.177  -6.663
  355    H    ALA  45           H        ALA  45  21.535  -1.889  -5.108
  356    HA   ALA  45           HA       ALA  45  19.258  -3.013  -6.375
  357    HB1  ALA  45           1HB      ALA  45  19.887  -2.741  -3.419
  358    HB2  ALA  45           2HB      ALA  45  20.444  -4.047  -4.467
  359    HB3  ALA  45           3HB      ALA  45  18.725  -3.853  -4.142
  360    H    MET  46           H        MET  46  19.675  -0.287  -4.143
  361    HA   MET  46           HA       MET  46  16.887   0.288  -3.828
  362    HB2  MET  46           2HB      MET  46  19.366   1.983  -3.369
  363    HB3  MET  46           1HB      MET  46  17.736   2.489  -2.922
  364    HG2  MET  46           2HG      MET  46  17.516   0.499  -1.470
  365    HG3  MET  46           1HG      MET  46  19.152   0.006  -1.907
  366    HE1  MET  46           3HE      MET  46  18.388   0.304   1.125
  367    HE2  MET  46           1HE      MET  46  19.901   1.056   1.642
  368    HE3  MET  46           2HE      MET  46  19.915  -0.182   0.396
  369    H    ASP  47           H        ASP  47  19.374   1.391  -6.096
  370    HA   ASP  47           HA       ASP  47  18.007   3.558  -7.227
  371    HB2  ASP  47           2HB      ASP  47  19.991   1.624  -8.470
  372    HB3  ASP  47           1HB      ASP  47  19.521   3.168  -9.182
  373    H    LYS  48           H        LYS  48  17.716   0.079  -7.806
  374    HA   LYS  48           HA       LYS  48  16.137   0.324 -10.210
  375    HB2  LYS  48           2HB      LYS  48  16.626  -1.976  -8.286
  376    HB3  LYS  48           1HB      LYS  48  15.723  -2.125  -9.796
  377    HG2  LYS  48           2HG      LYS  48  17.702  -1.376 -11.066
  378    HG3  LYS  48           1HG      LYS  48  18.612  -1.214  -9.566
  379    HD2  LYS  48           2HD      LYS  48  18.329  -3.630  -9.126
  380    HD3  LYS  48           1HD      LYS  48  17.415  -3.795 -10.625
  381    HE2  LYS  48           2HE      LYS  48  19.387  -3.035 -11.914
  382    HE3  LYS  48           1HE      LYS  48  20.302  -2.878 -10.413
  383    HZ1  LYS  48           3HZ      LYS  48  20.898  -4.972 -10.991
  384    HZ2  LYS  48           1HZ      LYS  48  19.465  -5.282 -11.843
  385    HZ3  LYS  48           2HZ      LYS  48  19.475  -5.357 -10.147
  386    H    ILE  49           H        ILE  49  15.504  -0.061  -6.746
  387    HA   ILE  49           HA       ILE  49  12.598  -0.257  -7.122
  388    HB   ILE  49           HB       ILE  49  14.231  -0.015  -4.558
  389   HG12  ILE  49          2HG1      ILE  49  13.097  -2.538  -5.861
  390   HG13  ILE  49          1HG1      ILE  49  14.784  -2.054  -5.996
  391   HG21  ILE  49          1HG2      ILE  49  11.852   0.574  -4.251
  392   HG22  ILE  49          2HG2      ILE  49  12.168  -0.990  -3.517
  393   HG23  ILE  49          3HG2      ILE  49  11.364  -0.901  -5.084
  394   HD11  ILE  49          3HD1      ILE  49  13.324  -2.670  -3.410
  395   HD12  ILE  49          1HD1      ILE  49  14.994  -2.111  -3.529
  396   HD13  ILE  49          2HD1      ILE  49  14.541  -3.679  -4.193
  397    H    ASP  50           H        ASP  50  11.440   1.525  -7.466
  398    HA   ASP  50           HA       ASP  50  12.276   4.163  -6.321
  399    HB2  ASP  50           2HB      ASP  50  10.623   3.546  -8.794
  400    HB3  ASP  50           1HB      ASP  50  11.040   5.156  -8.206
  401    H    SER  51           H        SER  51   9.912   1.689  -6.372
  402    HA   SER  51           HA       SER  51   8.344   2.887  -4.303
  403    HB2  SER  51           2HB      SER  51   6.227   3.116  -5.580
  404    HB3  SER  51           1HB      SER  51   7.451   4.251  -6.136
  405    HG   SER  51           HG       SER  51   6.475   1.907  -7.344
  406    H    ILE  52           H        ILE  52   6.355   1.535  -3.881
  407    HA   ILE  52           HA       ILE  52   6.743  -1.324  -4.663
  408    HB   ILE  52           HB       ILE  52   5.873  -0.207  -1.982
  409   HG12  ILE  52          2HG1      ILE  52   8.410  -1.727  -2.738
  410   HG13  ILE  52          1HG1      ILE  52   8.343   0.021  -2.528
  411   HG21  ILE  52          1HG2      ILE  52   5.995  -2.630  -1.278
  412   HG22  ILE  52          2HG2      ILE  52   6.255  -3.068  -2.962
  413   HG23  ILE  52          3HG2      ILE  52   4.733  -2.332  -2.464
  414   HD11  ILE  52          3HD1      ILE  52   9.149  -1.006  -0.479
  415   HD12  ILE  52          1HD1      ILE  52   7.732  -2.053  -0.408
  416   HD13  ILE  52          2HD1      ILE  52   7.555  -0.310  -0.195
  417    H    THR  53           H        THR  53   5.025  -2.112  -5.710
  418    HA   THR  53           HA       THR  53   2.446  -0.688  -5.736
  419    HB   THR  53           HB       THR  53   3.301  -3.187  -7.265
  420    HG1  THR  53           1HG      THR  53   4.446  -1.034  -7.540
  421   HG21  THR  53          3HG2      THR  53   1.453  -2.536  -8.774
  422   HG22  THR  53          1HG2      THR  53   1.065  -1.179  -7.719
  423   HG23  THR  53          2HG2      THR  53   0.851  -2.834  -7.146
  424    H    VAL  54           H        VAL  54   0.670  -1.412  -4.608
  425    HA   VAL  54           HA       VAL  54   0.719  -4.128  -3.386
  426    HB   VAL  54           HB       VAL  54  -0.207  -1.557  -2.055
  427   HG11  VAL  54          1HG1      VAL  54  -1.459  -3.539  -1.292
  428   HG12  VAL  54          2HG1      VAL  54  -0.341  -3.015  -0.036
  429   HG13  VAL  54          3HG1      VAL  54   0.052  -4.415  -1.035
  430   HG21  VAL  54          3HG2      VAL  54   2.248  -1.627  -2.274
  431   HG22  VAL  54          1HG2      VAL  54   2.275  -3.254  -1.593
  432   HG23  VAL  54          2HG2      VAL  54   1.772  -1.890  -0.601
  433    HA   PRO  55           HA       PRO  55  -3.284  -3.327  -5.596
  434    HB2  PRO  55           2HB      PRO  55  -3.623  -5.702  -6.859
  435    HB3  PRO  55           1HB      PRO  55  -2.429  -4.521  -7.444
  436    HG2  PRO  55           2HG      PRO  55  -1.979  -6.978  -5.761
  437    HG3  PRO  55           1HG      PRO  55  -1.047  -6.393  -7.158
  438    HD2  PRO  55           2HD      PRO  55  -0.310  -5.931  -4.506
  439    HD3  PRO  55           1HD      PRO  55   0.192  -4.879  -5.852
  440    H    VAL  56           H        VAL  56  -5.309  -3.695  -4.818
  441    HA   VAL  56           HA       VAL  56  -5.777  -5.930  -2.896
  442    HB   VAL  56           HB       VAL  56  -6.676  -3.044  -2.543
  443   HG11  VAL  56          1HG1      VAL  56  -6.998  -5.519  -0.796
  444   HG12  VAL  56          2HG1      VAL  56  -8.297  -4.624  -1.589
  445   HG13  VAL  56          3HG1      VAL  56  -7.388  -3.879  -0.278
  446   HG21  VAL  56          3HG2      VAL  56  -5.094  -3.055  -0.622
  447   HG22  VAL  56          1HG2      VAL  56  -4.258  -3.302  -2.154
  448   HG23  VAL  56          2HG2      VAL  56  -4.559  -4.669  -1.081
  449    H    ASP  57           H        ASP  57  -7.562  -7.031  -3.299
  450    HA   ASP  57           HA       ASP  57  -9.264  -6.401  -5.551
  451    HB2  ASP  57           2HB      ASP  57  -9.494  -8.536  -3.405
  452    HB3  ASP  57           1HB      ASP  57 -10.470  -8.465  -4.872
  453    H    ILE  58           H        ILE  58 -11.041  -5.133  -5.494
  454    HA   ILE  58           HA       ILE  58 -12.246  -4.369  -2.901
  455    HB   ILE  58           HB       ILE  58 -13.256  -2.500  -4.214
  456   HG12  ILE  58          2HG1      ILE  58 -11.481  -3.476  -6.506
  457   HG13  ILE  58          1HG1      ILE  58 -13.217  -3.748  -6.455
  458   HG21  ILE  58          1HG2      ILE  58 -11.147  -1.251  -4.524
  459   HG22  ILE  58          2HG2      ILE  58 -10.240  -2.762  -4.484
  460   HG23  ILE  58          3HG2      ILE  58 -11.095  -2.209  -3.045
  461   HD11  ILE  58          3HD1      ILE  58 -13.631  -1.339  -6.401
  462   HD12  ILE  58          1HD1      ILE  58 -12.658  -1.765  -7.807
  463   HD13  ILE  58          2HD1      ILE  58 -11.899  -1.019  -6.403
  464    H    SER  59           H        SER  59 -12.757  -6.380  -5.574
  465    HA   SER  59           HA       SER  59 -15.528  -6.202  -5.978
  466    HB2  SER  59           2HB      SER  59 -13.754  -8.645  -6.209
  467    HB3  SER  59           1HB      SER  59 -15.341  -8.444  -6.949
  468    HG   SER  59           HG       SER  59 -14.323  -6.462  -7.890
  469    H    GLN  60           H        GLN  60 -13.661  -8.062  -3.605
  470    HA   GLN  60           HA       GLN  60 -16.043  -9.350  -2.480
  471    HB2  GLN  60           2HB      GLN  60 -13.123  -9.378  -1.644
  472    HB3  GLN  60           1HB      GLN  60 -14.394 -10.363  -0.916
  473    HG2  GLN  60           2HG      GLN  60 -14.825 -11.430  -3.102
  474    HG3  GLN  60           1HG      GLN  60 -13.556 -10.451  -3.834
  475   HE21  GLN  60          1HE2      GLN  60 -12.843 -12.908  -4.251
  476   HE22  GLN  60          2HE2      GLN  60 -11.790 -13.553  -3.087
  477    H    VAL  61           H        VAL  61 -14.692  -6.318  -2.243
  478    HA   VAL  61           HA       VAL  61 -15.218  -5.933   0.646
  479    HB   VAL  61           HB       VAL  61 -14.076  -4.003  -1.403
  480   HG11  VAL  61          1HG1      VAL  61 -13.289  -2.782   0.640
  481   HG12  VAL  61          2HG1      VAL  61 -14.211  -3.911   1.631
  482   HG13  VAL  61          3HG1      VAL  61 -15.046  -2.833   0.516
  483   HG21  VAL  61          3HG2      VAL  61 -12.675  -5.736   0.664
  484   HG22  VAL  61          1HG2      VAL  61 -11.893  -4.546  -0.375
  485   HG23  VAL  61          2HG2      VAL  61 -12.620  -5.985  -1.081
  486    H    THR  62           H        THR  62 -17.177  -5.287   1.238
  487    HA   THR  62           HA       THR  62 -18.764  -3.440  -0.480
  488    HB   THR  62           HB       THR  62 -19.774  -5.579  -0.912
  489    HG1  THR  62           1HG      THR  62 -21.126  -3.795  -0.068
  490   HG21  THR  62          3HG2      THR  62 -19.563  -6.059   2.085
  491   HG22  THR  62          1HG2      THR  62 -18.669  -6.910   0.820
  492   HG23  THR  62          2HG2      THR  62 -20.416  -7.110   0.957
  493    H    GLU  63           H        GLU  63 -17.185  -3.762   2.308
  494    HA   GLU  63           HA       GLU  63 -18.807  -1.754   3.679
  495    HB2  GLU  63           2HB      GLU  63 -18.914  -3.094   5.783
  496    HB3  GLU  63           1HB      GLU  63 -19.862  -3.804   4.477
  497    HG2  GLU  63           2HG      GLU  63 -18.013  -5.372   3.980
  498    HG3  GLU  63           1HG      GLU  63 -17.063  -4.677   5.290
  499    H    ASP  64           H        ASP  64 -17.711  -1.158   5.800
  500    HA   ASP  64           HA       ASP  64 -15.031  -0.398   5.248
  501    HB2  ASP  64           2HB      ASP  64 -15.030   0.470   7.565
  502    HB3  ASP  64           1HB      ASP  64 -16.487   0.942   6.695
  503    H    THR  65           H        THR  65 -13.176  -1.482   5.547
  504    HA   THR  65           HA       THR  65 -12.921  -3.535   7.654
  505    HB   THR  65           HB       THR  65 -11.963  -5.183   6.117
  506    HG1  THR  65           1HG      THR  65 -11.240  -3.648   4.568
  507   HG21  THR  65          3HG2      THR  65 -13.996  -5.918   5.031
  508   HG22  THR  65          1HG2      THR  65 -14.640  -4.282   5.017
  509   HG23  THR  65          2HG2      THR  65 -14.471  -5.146   6.543
  510    H    SER  66           H        SER  66 -10.659  -4.240   7.878
  511    HA   SER  66           HA       SER  66  -8.590  -2.465   6.803
  512    HB2  SER  66           2HB      SER  66  -7.773  -1.831   9.026
  513    HB3  SER  66           1HB      SER  66  -9.430  -1.272   8.808
  514    HG   SER  66           HG       SER  66 -10.070  -3.236   9.905
  515    H    LYS  67           H        LYS  67  -6.803  -3.628   6.414
  516    HA   LYS  67           HA       LYS  67  -6.220  -6.062   8.032
  517    HB2  LYS  67           2HB      LYS  67  -6.313  -5.972   5.004
  518    HB3  LYS  67           1HB      LYS  67  -5.743  -7.338   5.965
  519    HG2  LYS  67           2HG      LYS  67  -8.026  -7.414   7.073
  520    HG3  LYS  67           1HG      LYS  67  -8.569  -6.195   5.923
  521    HD2  LYS  67           2HD      LYS  67  -7.461  -8.935   5.186
  522    HD3  LYS  67           1HD      LYS  67  -9.168  -8.510   5.210
  523    HE2  LYS  67           2HE      LYS  67  -8.569  -6.644   3.511
  524    HE3  LYS  67           1HE      LYS  67  -7.029  -7.485   3.314
  525    HZ1  LYS  67           3HZ      LYS  67  -9.744  -8.436   2.692
  526    HZ2  LYS  67           1HZ      LYS  67  -8.489  -9.542   2.977
  527    HZ3  LYS  67           2HZ      LYS  67  -8.359  -8.421   1.707
  528    H    THR  68           H        THR  68  -4.101  -6.593   8.210
  529    HA   THR  68           HA       THR  68  -2.178  -4.468   7.619
  530    HB   THR  68           HB       THR  68  -1.690  -7.193   8.892
  531    HG1  THR  68           1HG      THR  68  -1.772  -5.856  10.827
  532   HG21  THR  68          3HG2      THR  68  -0.100  -4.598   8.909
  533   HG22  THR  68          1HG2      THR  68   0.369  -6.096   8.103
  534   HG23  THR  68          2HG2      THR  68   0.290  -6.030   9.861
  535    H    LEU  69           H        LEU  69  -0.704  -4.493   5.997
  536    HA   LEU  69           HA       LEU  69  -0.569  -6.865   4.176
  537    HB2  LEU  69           2HB      LEU  69  -0.215  -3.925   3.467
  538    HB3  LEU  69           1HB      LEU  69  -0.234  -5.285   2.346
  539    HG   LEU  69           HG       LEU  69  -2.567  -4.378   4.079
  540   HD11  LEU  69          1HD1      LEU  69  -2.162  -4.199   1.078
  541   HD12  LEU  69          2HD1      LEU  69  -2.035  -2.842   2.199
  542   HD13  LEU  69          3HD1      LEU  69  -3.583  -3.658   1.968
  543   HD21  LEU  69          3HD2      LEU  69  -2.895  -6.718   3.790
  544   HD22  LEU  69          1HD2      LEU  69  -2.260  -6.708   2.143
  545   HD23  LEU  69          2HD2      LEU  69  -3.846  -6.014   2.496
  546    H    GLU  70           H        GLU  70   1.348  -7.778   4.017
  547    HA   GLU  70           HA       GLU  70   3.740  -6.462   5.149
  548    HB2  GLU  70           2HB      GLU  70   4.755  -8.767   4.852
  549    HB3  GLU  70           1HB      GLU  70   3.380  -8.710   5.954
  550    HG2  GLU  70           2HG      GLU  70   1.886  -9.534   4.184
  551    HG3  GLU  70           1HG      GLU  70   3.217  -9.541   3.037
  552    H    LEU  71           H        LEU  71   5.412  -5.800   3.941
  553    HA   LEU  71           HA       LEU  71   5.245  -6.037   0.969
  554    HB2  LEU  71           2HB      LEU  71   6.861  -4.044   2.609
  555    HB3  LEU  71           1HB      LEU  71   6.506  -3.982   0.883
  556    HG   LEU  71           HG       LEU  71   4.490  -3.708   3.149
  557   HD11  LEU  71          1HD1      LEU  71   4.271  -1.387   2.332
  558   HD12  LEU  71          2HD1      LEU  71   5.521  -1.694   1.127
  559   HD13  LEU  71          3HD1      LEU  71   5.920  -1.735   2.840
  560   HD21  LEU  71          3HD2      LEU  71   2.917  -3.049   1.222
  561   HD22  LEU  71          1HD2      LEU  71   3.306  -4.758   1.344
  562   HD23  LEU  71          2HD2      LEU  71   4.105  -3.760   0.129
  563    H    LYS  72           H        LYS  72   6.816  -7.021  -0.137
  564    HA   LYS  72           HA       LYS  72   9.385  -7.732   1.198
  565    HB2  LYS  72           2HB      LYS  72   7.736  -9.613  -0.530
  566    HB3  LYS  72           1HB      LYS  72   9.279  -9.970   0.235
  567    HG2  LYS  72           2HG      LYS  72   7.930 -10.875   1.923
  568    HG3  LYS  72           1HG      LYS  72   7.881  -9.210   2.478
  569    HD2  LYS  72           2HD      LYS  72   5.580  -9.780   2.450
  570    HD3  LYS  72           1HD      LYS  72   5.759  -9.002   0.883
  571    HE2  LYS  72           2HE      LYS  72   6.076 -11.285  -0.147
  572    HE3  LYS  72           1HE      LYS  72   5.771 -11.996   1.432
  573    HZ1  LYS  72           3HZ      LYS  72   3.792 -11.869  -0.029
  574    HZ2  LYS  72           1HZ      LYS  72   3.888 -10.177   0.043
  575    HZ3  LYS  72           2HZ      LYS  72   3.594 -11.068   1.458
  576    H    ALA  73           H        ALA  73  11.171  -7.706  -0.130
  577    HA   ALA  73           HA       ALA  73  10.854  -7.208  -3.028
  578    HB1  ALA  73           1HB      ALA  73  10.914  -4.971  -2.070
  579    HB2  ALA  73           2HB      ALA  73  12.480  -5.290  -2.816
  580    HB3  ALA  73           3HB      ALA  73  12.295  -5.399  -1.066
  581    H    GLU  74           H        GLU  74  12.468  -8.139  -4.199
  582    HA   GLU  74           HA       GLU  74  14.336  -9.891  -2.797
  583    HB2  GLU  74           2HB      GLU  74  13.751  -9.479  -5.744
  584    HB3  GLU  74           1HB      GLU  74  14.825 -10.721  -5.094
  585    HG2  GLU  74           2HG      GLU  74  12.954 -11.666  -3.786
  586    HG3  GLU  74           1HG      GLU  74  11.875 -10.428  -4.421
  587    H    GLY  75           H        GLY  75  16.305  -9.364  -2.265
  588    HA2  GLY  75           2HA      GLY  75  18.552  -8.775  -2.915
  589    HA3  GLY  75           1HA      GLY  75  17.922  -7.518  -3.963
  590    H    VAL  76           H        VAL  76  16.013  -7.038  -1.462
  591    HA   VAL  76           HA       VAL  76  17.943  -5.544   0.247
  592    HB   VAL  76           HB       VAL  76  16.506  -3.584   0.259
  593   HG11  VAL  76          1HG1      VAL  76  16.813  -2.825  -2.048
  594   HG12  VAL  76          2HG1      VAL  76  16.980  -4.493  -2.597
  595   HG13  VAL  76          3HG1      VAL  76  18.205  -3.782  -1.549
  596   HG21  VAL  76          3HG2      VAL  76  14.533  -3.466  -1.360
  597   HG22  VAL  76          1HG2      VAL  76  14.287  -4.546   0.010
  598   HG23  VAL  76          2HG2      VAL  76  14.690  -5.210  -1.575
  599    H    THR  77           H        THR  77  17.021  -4.963   2.325
  600    HA   THR  77           HA       THR  77  15.015  -6.962   3.283
  601    HB   THR  77           HB       THR  77  17.183  -5.532   4.877
  602    HG1  THR  77           1HG      THR  77  18.005  -7.035   3.358
  603   HG21  THR  77          3HG2      THR  77  15.329  -7.846   5.548
  604   HG22  THR  77          1HG2      THR  77  15.245  -6.223   6.234
  605   HG23  THR  77          2HG2      THR  77  16.630  -7.254   6.578
  606    H    VAL  78           H        VAL  78  13.108  -6.091   3.741
  607    HA   VAL  78           HA       VAL  78  12.865  -3.199   4.422
  608    HB   VAL  78           HB       VAL  78  11.713  -3.861   2.365
  609   HG11  VAL  78          1HG1      VAL  78  11.402  -6.264   2.915
  610   HG12  VAL  78          2HG1      VAL  78   9.928  -5.499   2.331
  611   HG13  VAL  78          3HG1      VAL  78  10.128  -5.817   4.048
  612   HG21  VAL  78          3HG2      VAL  78  10.668  -2.155   3.899
  613   HG22  VAL  78          1HG2      VAL  78   9.676  -3.440   4.591
  614   HG23  VAL  78          2HG2      VAL  78   9.492  -3.003   2.896
  615    H    GLN  79           H        GLN  79  12.012  -2.637   6.345
  616    HA   GLN  79           HA       GLN  79  10.436  -4.497   7.891
  617    HB2  GLN  79           2HB      GLN  79  12.007  -4.425   9.874
  618    HB3  GLN  79           1HB      GLN  79  12.566  -5.385   8.507
  619    HG2  GLN  79           2HG      GLN  79  13.969  -3.515   7.737
  620    HG3  GLN  79           1HG      GLN  79  13.393  -2.516   9.070
  621   HE21  GLN  79          1HE2      GLN  79  16.056  -4.214   8.216
  622   HE22  GLN  79          2HE2      GLN  79  16.569  -4.766   9.737
  623    HA   PRO  80           HA       PRO  80   9.511  -4.478  10.154
  624    HB2  PRO  80           2HB      PRO  80   6.983  -3.761  10.953
  625    HB3  PRO  80           1HB      PRO  80   8.425  -3.285  11.878
  626    HG2  PRO  80           2HG      PRO  80   6.909  -1.675   9.825
  627    HG3  PRO  80           1HG      PRO  80   7.427  -1.191  11.457
  628    HD2  PRO  80           2HD      PRO  80   8.893  -0.498   9.267
  629    HD3  PRO  80           1HD      PRO  80   9.693  -0.919  10.798
  630    H    SER  81           H        SER  81   8.406  -2.575   7.588
  631    HA   SER  81           HA       SER  81   7.436  -3.052   5.585
  632    HB2  SER  81           2HB      SER  81   7.845  -5.151   4.672
  633    HB3  SER  81           1HB      SER  81   8.895  -5.257   6.078
  634    HG   SER  81           HG       SER  81   6.261  -6.263   5.766
  635    H    THR  82           H        THR  82   5.980  -3.617   8.489
  636    HA   THR  82           HA       THR  82   3.372  -4.500   7.395
  637    HB   THR  82           HB       THR  82   2.739  -4.627   9.807
  638    HG1  THR  82           1HG      THR  82   4.917  -3.124  10.028
  639   HG21  THR  82          3HG2      THR  82   4.220  -6.513  10.407
  640   HG22  THR  82          1HG2      THR  82   5.325  -6.049   9.120
  641   HG23  THR  82          2HG2      THR  82   3.708  -6.610   8.722
  642    H    VAL  83           H        VAL  83   1.668  -3.155   7.348
  643    HA   VAL  83           HA       VAL  83   1.708  -0.506   8.619
  644    HB   VAL  83           HB       VAL  83   1.106   0.613   6.444
  645   HG11  VAL  83          1HG1      VAL  83   3.853  -0.704   6.300
  646   HG12  VAL  83          2HG1      VAL  83   3.471   0.636   7.382
  647   HG13  VAL  83          3HG1      VAL  83   3.379   0.858   5.638
  648   HG21  VAL  83          3HG2      VAL  83   2.004  -2.040   5.247
  649   HG22  VAL  83          1HG2      VAL  83   1.681  -0.575   4.324
  650   HG23  VAL  83          2HG2      VAL  83   0.374  -1.375   5.185
  651    H    LYS  84           H        LYS  84  -0.386   0.264   8.988
  652    HA   LYS  84           HA       LYS  84  -2.550  -1.712   8.607
  653    HB2  LYS  84           2HB      LYS  84  -2.365   0.841  10.248
  654    HB3  LYS  84           1HB      LYS  84  -3.753  -0.251  10.218
  655    HG2  LYS  84           2HG      LYS  84  -2.338  -2.089  11.062
  656    HG3  LYS  84           1HG      LYS  84  -0.943  -1.010  11.091
  657    HD2  LYS  84           2HD      LYS  84  -2.098   0.452  12.715
  658    HD3  LYS  84           1HD      LYS  84  -3.500  -0.619  12.686
  659    HE2  LYS  84           2HE      LYS  84  -2.101  -2.472  13.536
  660    HE3  LYS  84           1HE      LYS  84  -0.701  -1.397  13.570
  661    HZ1  LYS  84           3HZ      LYS  84  -3.182  -1.199  15.179
  662    HZ2  LYS  84           1HZ      LYS  84  -2.067   0.073  15.054
  663    HZ3  LYS  84           2HZ      LYS  84  -1.592  -1.409  15.737
  664    H    VAL  85           H        VAL  85  -4.151  -1.371   7.187
  665    HA   VAL  85           HA       VAL  85  -4.463   1.307   5.894
  666    HB   VAL  85           HB       VAL  85  -4.726  -1.417   4.572
  667   HG11  VAL  85          1HG1      VAL  85  -4.885   1.409   3.467
  668   HG12  VAL  85          2HG1      VAL  85  -6.211   0.252   3.560
  669   HG13  VAL  85          3HG1      VAL  85  -4.856  -0.051   2.479
  670   HG21  VAL  85          3HG2      VAL  85  -2.661  -0.754   3.356
  671   HG22  VAL  85          1HG2      VAL  85  -2.378  -0.897   5.089
  672   HG23  VAL  85          2HG2      VAL  85  -2.554   0.697   4.353
  673    H    ASN  86           H        ASN  86  -6.440   2.097   6.051
  674    HA   ASN  86           HA       ASN  86  -8.710   0.330   6.866
  675    HB2  ASN  86           2HB      ASN  86  -8.334   3.327   7.232
  676    HB3  ASN  86           1HB      ASN  86  -9.712   2.374   7.783
  677   HD21  ASN  86          1HD2      ASN  86  -7.060   3.799   9.027
  678   HD22  ASN  86          2HD2      ASN  86  -6.665   2.695  10.255
  679    H    LEU  87           H        LEU  87 -10.175  -0.016   5.341
  680    HA   LEU  87           HA       LEU  87 -10.359   1.753   2.959
  681    HB2  LEU  87           2HB      LEU  87 -11.411  -1.080   3.344
  682    HB3  LEU  87           1HB      LEU  87 -11.309  -0.180   1.831
  683    HG   LEU  87           HG       LEU  87  -8.941  -1.083   3.520
  684   HD11  LEU  87          1HD1      LEU  87 -10.094  -2.941   2.372
  685   HD12  LEU  87          2HD1      LEU  87  -8.510  -2.644   1.657
  686   HD13  LEU  87          3HD1      LEU  87  -9.966  -2.075   0.841
  687   HD21  LEU  87          3HD2      LEU  87  -8.257   0.921   2.376
  688   HD22  LEU  87          1HD2      LEU  87  -9.098   0.456   0.898
  689   HD23  LEU  87          2HD2      LEU  87  -7.640  -0.400   1.403
  690    H    LYS  88           H        LYS  88 -12.027   3.113   2.942
  691    HA   LYS  88           HA       LYS  88 -14.438   2.566   4.585
  692    HB2  LYS  88           2HB      LYS  88 -13.427   5.138   3.326
  693    HB3  LYS  88           1HB      LYS  88 -14.879   4.995   4.310
  694    HG2  LYS  88           2HG      LYS  88 -12.152   4.172   5.390
  695    HG3  LYS  88           1HG      LYS  88 -12.710   5.836   5.490
  696    HD2  LYS  88           2HD      LYS  88 -14.710   5.085   6.761
  697    HD3  LYS  88           1HD      LYS  88 -14.129   3.426   6.698
  698    HE2  LYS  88           2HE      LYS  88 -12.630   5.733   7.964
  699    HE3  LYS  88           1HE      LYS  88 -13.537   4.498   8.841
  700    HZ1  LYS  88           3HZ      LYS  88 -11.088   4.167   7.218
  701    HZ2  LYS  88           1HZ      LYS  88 -12.086   2.849   7.598
  702    HZ3  LYS  88           2HZ      LYS  88 -11.349   3.741   8.843
  703    H    VAL  89           H        VAL  89 -16.206   1.998   3.611
  704    HA   VAL  89           HA       VAL  89 -16.451   2.191   0.654
  705    HB   VAL  89           HB       VAL  89 -18.009   0.481   2.636
  706   HG11  VAL  89          1HG1      VAL  89 -19.226   0.931   0.520
  707   HG12  VAL  89          2HG1      VAL  89 -18.706  -0.747   0.596
  708   HG13  VAL  89          3HG1      VAL  89 -17.818   0.406  -0.397
  709   HG21  VAL  89          3HG2      VAL  89 -15.659  -0.202   0.825
  710   HG22  VAL  89          1HG2      VAL  89 -16.604  -1.379   1.737
  711   HG23  VAL  89          2HG2      VAL  89 -15.641  -0.174   2.589
  712    H    THR  90           H        THR  90 -17.991   3.442  -0.228
  713    HA   THR  90           HA       THR  90 -19.743   5.045   1.545
  714    HB   THR  90           HB       THR  90 -20.066   6.436  -0.449
  715    HG1  THR  90           1HG      THR  90 -19.825   4.499  -1.845
  716   HG21  THR  90          3HG2      THR  90 -17.154   5.696  -0.030
  717   HG22  THR  90          1HG2      THR  90 -18.073   6.839   0.952
  718   HG23  THR  90          2HG2      THR  90 -17.743   7.198  -0.742
  719    H    GLN  91           H        GLN  91 -21.805   4.466   1.777
  720    HA   GLN  91           HA       GLN  91 -23.018   2.430   0.023
  721    HB2  GLN  91           2HB      GLN  91 -24.083   3.710   2.576
  722    HB3  GLN  91           1HB      GLN  91 -24.737   2.291   1.757
  723    HG2  GLN  91           2HG      GLN  91 -21.958   2.476   2.972
  724    HG3  GLN  91           1HG      GLN  91 -23.338   1.685   3.723
  725   HE21  GLN  91          1HE2      GLN  91 -20.599   0.922   2.091
  726   HE22  GLN  91          2HE2      GLN  91 -21.110  -0.485   1.298
  727    H    LYS  92           H        LYS  92 -24.439   2.945  -1.522
  728    HA   LYS  92           HA       LYS  92 -26.087   5.382  -1.316
  729    HB2  LYS  92           2HB      LYS  92 -24.008   5.974  -2.589
  730    HB3  LYS  92           1HB      LYS  92 -24.422   4.744  -3.782
  731    HG2  LYS  92           2HG      LYS  92 -26.542   5.914  -4.274
  732    HG3  LYS  92           1HG      LYS  92 -26.172   7.123  -3.043
  733    HD2  LYS  92           2HD      LYS  92 -24.142   7.775  -4.303
  734    HD3  LYS  92           1HD      LYS  92 -24.530   6.576  -5.537
  735    HE2  LYS  92           2HE      LYS  92 -25.286   8.817  -6.230
  736    HE3  LYS  92           1HE      LYS  92 -26.666   7.741  -5.994
  737    HZ1  LYS  92           3HZ      LYS  92 -27.348   8.865  -4.177
  738    HZ2  LYS  92           1HZ      LYS  92 -26.509  10.147  -4.906
  739    HZ3  LYS  92           2HZ      LYS  92 -25.771   9.246  -3.669
  740    H    LEU  93           H        LEU  93 -28.081   5.094  -2.119
  741    HA   LEU  93           HA       LEU  93 -28.786   3.221  -4.140
  742    HB2  LEU  93           2HB      LEU  93 -30.006   1.576  -2.872
  743    HB3  LEU  93           1HB      LEU  93 -28.386   1.659  -2.197
  744    HG   LEU  93           HG       LEU  93 -30.902   2.931  -1.029
  745   HD11  LEU  93          1HD1      LEU  93 -29.127   0.690  -0.022
  746   HD12  LEU  93          2HD1      LEU  93 -30.739   0.497  -0.712
  747   HD13  LEU  93          3HD1      LEU  93 -30.529   1.352   0.816
  748   HD21  LEU  93          3HD2      LEU  93 -29.160   4.453  -0.472
  749   HD22  LEU  93          1HD2      LEU  93 -27.978   3.167  -0.221
  750   HD23  LEU  93          2HD2      LEU  93 -29.285   3.419   0.941
  751    H    GLU  94           H        GLU  94 -31.226   3.047  -4.294
  752    HA   GLU  94           HA       GLU  94 -32.912   4.908  -2.979
  753    HB2  GLU  94           2HB      GLU  94 -33.288   6.464  -4.905
  754    HB3  GLU  94           1HB      GLU  94 -31.679   6.616  -4.209
  755    HG2  GLU  94           2HG      GLU  94 -30.760   5.173  -5.995
  756    HG3  GLU  94           1HG      GLU  94 -32.367   5.032  -6.706
  757    H    HIS  95           H        HIS  95 -35.070   4.921  -3.892
  758    HA   HIS  95           HA       HIS  95 -36.909   3.768  -4.649
  759    HB2  HIS  95           2HB      HIS  95 -35.063   3.210  -6.992
  760    HB3  HIS  95           1HB      HIS  95 -36.822   3.092  -7.009
  761    HD2  HIS  95           2HD      HIS  95 -38.179   5.636  -6.865
  762    HE1  HIS  95           1HE      HIS  95 -34.707   7.943  -7.540
  763    HE2  HIS  95           2HE      HIS  95 -37.243   8.013  -7.403
  764    H    HIS  96           H        HIS  96 -37.503   1.514  -5.822
  765    HA   HIS  96           HA       HIS  96 -37.734  -0.735  -5.421
  766    HB2  HIS  96           2HB      HIS  96 -35.678  -0.716  -6.825
  767    HB3  HIS  96           1HB      HIS  96 -34.697  -0.625  -5.364
  768    HD2  HIS  96           2HD      HIS  96 -36.739  -3.278  -7.390
  769    HE1  HIS  96           1HE      HIS  96 -35.076  -5.233  -4.039
  770    HE2  HIS  96           2HE      HIS  96 -36.327  -5.576  -6.222
  771    H    HIS  97           H        HIS  97 -38.701  -0.418  -3.335
  772    HA   HIS  97           HA       HIS  97 -37.362  -1.827  -1.226
  773    HB2  HIS  97           2HB      HIS  97 -36.282   0.422  -1.016
  774    HB3  HIS  97           1HB      HIS  97 -37.871   1.140  -0.773
  775    HD2  HIS  97           2HD      HIS  97 -35.269  -1.023   1.208
  776    HE1  HIS  97           1HE      HIS  97 -38.491  -0.183   3.804
  777    HE2  HIS  97           2HE      HIS  97 -36.157  -1.175   3.658
  778    H    HIS  98           H        HIS  98 -39.300  -3.033  -1.575
  779    HA   HIS  98           HA       HIS  98 -41.917  -1.942  -1.194
  780    HB2  HIS  98           2HB      HIS  98 -40.920  -4.799  -0.924
  781    HB3  HIS  98           1HB      HIS  98 -42.611  -4.312  -1.034
  782    HD2  HIS  98           2HD      HIS  98 -43.347  -3.208  -3.621
  783    HE1  HIS  98           1HE      HIS  98 -39.912  -4.679  -5.586
  784    HE2  HIS  98           2HE      HIS  98 -42.201  -3.637  -5.929
  785    H    HIS  99           H        HIS  99 -43.221  -1.951   0.623
  786    HA   HIS  99           HA       HIS  99 -41.985  -1.585   3.143
  787    HB2  HIS  99           2HB      HIS  99 -44.323  -1.544   4.008
  788    HB3  HIS  99           1HB      HIS  99 -44.118  -0.528   2.582
  789    HD2  HIS  99           2HD      HIS  99 -45.714  -1.246   0.405
  790    HE1  HIS  99           1HE      HIS  99 -47.186  -4.873   1.989
  791    HE2  HIS  99           2HE      HIS  99 -47.374  -3.233   0.059
  792    H    HIS 100           H        HIS 100 -41.694  -2.939   4.868
  793    HA   HIS 100           HA       HIS 100 -41.338  -4.913   5.985
  794    HB2  HIS 100           2HB      HIS 100 -44.008  -5.639   4.740
  795    HB3  HIS 100           1HB      HIS 100 -43.272  -6.418   6.138
  796    HD2  HIS 100           2HD      HIS 100 -43.121  -4.699   8.487
  797    HE1  HIS 100           1HE      HIS 100 -45.924  -1.909   7.008
  798    HE2  HIS 100           2HE      HIS 100 -44.645  -2.659   9.070
  Start of MODEL    6
    1    H1   LYS   1           1HT      LYS   1  36.792   3.990   8.519
    2    H2   LYS   1           2HT      LYS   1  35.265   3.466   7.985
    3    H3   LYS   1           3HT      LYS   1  36.348   4.188   6.893
    4    HA   LYS   1           HA       LYS   1  37.916   2.298   7.357
    5    HB2  LYS   1           2HB      LYS   1  35.355   1.207   8.583
    6    HB3  LYS   1           1HB      LYS   1  36.800   0.248   8.255
    7    HG2  LYS   1           2HG      LYS   1  38.113   1.683   9.774
    8    HG3  LYS   1           1HG      LYS   1  36.678   2.659  10.099
    9    HD2  LYS   1           2HD      LYS   1  35.533   0.649  11.009
   10    HD3  LYS   1           1HD      LYS   1  36.991  -0.300  10.719
   11    HE2  LYS   1           2HE      LYS   1  36.786   2.116  12.545
   12    HE3  LYS   1           1HE      LYS   1  36.889   0.436  13.069
   13    HZ1  LYS   1           2HZ      LYS   1  39.077   0.668  13.012
   14    HZ2  LYS   1           3HZ      LYS   1  38.971   2.197  12.279
   15    HZ3  LYS   1           1HZ      LYS   1  38.981   0.798  11.320
   16    H    ILE   2           H        ILE   2  37.650   0.280   5.990
   17    HA   ILE   2           HA       ILE   2  36.417   0.954   3.493
   18    HB   ILE   2           HB       ILE   2  37.175  -1.340   2.813
   19   HG12  ILE   2          2HG1      ILE   2  38.200  -1.537   5.686
   20   HG13  ILE   2          1HG1      ILE   2  36.793  -2.408   5.091
   21   HG21  ILE   2          1HG2      ILE   2  38.709   0.617   2.715
   22   HG22  ILE   2          2HG2      ILE   2  39.585  -0.869   3.057
   23   HG23  ILE   2          3HG2      ILE   2  39.243   0.271   4.358
   24   HD11  ILE   2          3HD1      ILE   2  38.226  -3.494   3.359
   25   HD12  ILE   2          1HD1      ILE   2  38.719  -3.881   5.007
   26   HD13  ILE   2          2HD1      ILE   2  39.631  -2.701   4.072
   27    H    SER   3           H        SER   3  35.272  -0.541   6.338
   28    HA   SER   3           HA       SER   3  33.386  -2.373   5.409
   29    HB2  SER   3           2HB      SER   3  33.969  -2.091   7.788
   30    HB3  SER   3           1HB      SER   3  33.167  -0.522   7.798
   31    HG   SER   3           HG       SER   3  31.303  -1.503   7.893
   32    H    LEU   4           H        LEU   4  33.312   1.101   5.503
   33    HA   LEU   4           HA       LEU   4  31.885   2.671   4.691
   34    HB2  LEU   4           2HB      LEU   4  32.189   1.334   2.586
   35    HB3  LEU   4           1HB      LEU   4  30.768   0.394   3.018
   36    HG   LEU   4           HG       LEU   4  29.394   2.498   2.973
   37   HD11  LEU   4          1HD1      LEU   4  30.823   4.333   3.349
   38   HD12  LEU   4          2HD1      LEU   4  30.558   4.445   1.618
   39   HD13  LEU   4          3HD1      LEU   4  32.058   3.747   2.231
   40   HD21  LEU   4          3HD2      LEU   4  29.513   1.022   0.999
   41   HD22  LEU   4          1HD2      LEU   4  30.937   1.891   0.426
   42   HD23  LEU   4          2HD2      LEU   4  29.379   2.709   0.503
   43    H    ARG   5           H        ARG   5  29.860   3.558   5.121
   44    HA   ARG   5           HA       ARG   5  28.367   2.308   7.227
   45    HB2  ARG   5           2HB      ARG   5  27.750   4.763   5.544
   46    HB3  ARG   5           1HB      ARG   5  26.890   4.296   7.014
   47    HG2  ARG   5           2HG      ARG   5  28.994   4.456   8.301
   48    HG3  ARG   5           1HG      ARG   5  29.857   4.928   6.837
   49    HD2  ARG   5           2HD      ARG   5  27.529   6.471   8.034
   50    HD3  ARG   5           1HD      ARG   5  29.227   6.886   8.255
   51    HE   ARG   5           HE       ARG   5  28.733   6.682   5.493
   52   HH11  ARG   5          1HH2      ARG   5  27.873   8.654   8.228
   53   HH12  ARG   5          2HH2      ARG   5  27.623  10.083   7.282
   54   HH21  ARG   5          1HH1      ARG   5  28.401   8.557   4.269
   55   HH22  ARG   5          2HH1      ARG   5  27.921  10.027   5.048
   56    H    LYS   6           H        LYS   6  26.249   1.519   7.175
   57    HA   LYS   6           HA       LYS   6  25.521   0.055   4.822
   58    HB2  LYS   6           2HB      LYS   6  23.938   0.651   7.348
   59    HB3  LYS   6           1HB      LYS   6  23.507  -0.556   6.132
   60    HG2  LYS   6           2HG      LYS   6  25.646  -1.736   6.542
   61    HG3  LYS   6           1HG      LYS   6  26.071  -0.537   7.766
   62    HD2  LYS   6           2HD      LYS   6  24.076  -1.177   9.083
   63    HD3  LYS   6           1HD      LYS   6  23.655  -2.376   7.859
   64    HE2  LYS   6           2HE      LYS   6  24.838  -3.449   9.733
   65    HE3  LYS   6           1HE      LYS   6  25.815  -3.534   8.267
   66    HZ1  LYS   6           3HZ      LYS   6  26.167  -1.219  10.024
   67    HZ2  LYS   6           1HZ      LYS   6  27.302  -2.024   9.055
   68    HZ3  LYS   6           2HZ      LYS   6  26.814  -2.706  10.532
   69    H    LEU   7           H        LEU   7  23.897   0.466   3.336
   70    HA   LEU   7           HA       LEU   7  23.084   3.246   3.020
   71    HB2  LEU   7           2HB      LEU   7  22.848   0.737   1.329
   72    HB3  LEU   7           1HB      LEU   7  21.983   2.204   0.887
   73    HG   LEU   7           HG       LEU   7  24.181   1.970  -0.299
   74   HD11  LEU   7          1HD1      LEU   7  24.717   4.222  -0.250
   75   HD12  LEU   7          2HD1      LEU   7  24.545   4.376   1.494
   76   HD13  LEU   7          3HD1      LEU   7  23.113   4.286   0.469
   77   HD21  LEU   7          3HD2      LEU   7  26.279   2.081   0.850
   78   HD22  LEU   7          1HD2      LEU   7  25.342   0.834   1.673
   79   HD23  LEU   7          2HD2      LEU   7  25.509   2.438   2.394
   80    H    SER   8           H        SER   8  20.952   3.899   2.898
   81    HA   SER   8           HA       SER   8  18.760   2.127   3.558
   82    HB2  SER   8           2HB      SER   8  18.150   3.244   5.662
   83    HB3  SER   8           1HB      SER   8  19.749   2.519   5.808
   84    HG   SER   8           HG       SER   8  20.664   4.509   5.607
   85    H    LYS   9           H        LYS   9  16.929   2.972   2.719
   86    HA   LYS   9           HA       LYS   9  16.616   5.861   2.310
   87    HB2  LYS   9           2HB      LYS   9  16.756   3.835   0.043
   88    HB3  LYS   9           1HB      LYS   9  15.953   5.395  -0.139
   89    HG2  LYS   9           2HG      LYS   9  18.079   6.541   0.463
   90    HG3  LYS   9           1HG      LYS   9  18.875   4.974   0.592
   91    HD2  LYS   9           2HD      LYS   9  18.402   4.499  -1.758
   92    HD3  LYS   9           1HD      LYS   9  17.562   6.043  -1.920
   93    HE2  LYS   9           2HE      LYS   9  20.491   5.677  -1.219
   94    HE3  LYS   9           1HE      LYS   9  19.860   6.224  -2.773
   95    HZ1  LYS   9           3HZ      LYS   9  19.916   8.269  -1.966
   96    HZ2  LYS   9           1HZ      LYS   9  20.338   7.718  -0.419
   97    HZ3  LYS   9           2HZ      LYS   9  18.702   7.838  -0.860
   98    H    SER  10           H        SER  10  14.485   6.336   1.428
   99    HA   SER  10           HA       SER  10  12.388   4.420   2.390
  100    HB2  SER  10           2HB      SER  10  12.563   6.337   3.911
  101    HB3  SER  10           1HB      SER  10  12.412   7.445   2.550
  102    HG   SER  10           HG       SER  10  10.510   5.604   3.559
  103    H    VAL  11           H        VAL  11  10.740   4.004   1.005
  104    HA   VAL  11           HA       VAL  11  10.616   5.494  -1.571
  105    HB   VAL  11           HB       VAL  11   9.811   3.251  -2.534
  106   HG11  VAL  11          1HG1      VAL  11  12.665   3.433  -1.509
  107   HG12  VAL  11          2HG1      VAL  11  12.060   4.150  -3.002
  108   HG13  VAL  11          3HG1      VAL  11  12.115   2.398  -2.827
  109   HG21  VAL  11          3HG2      VAL  11  10.517   1.224  -1.326
  110   HG22  VAL  11          1HG2      VAL  11   9.373   2.128  -0.346
  111   HG23  VAL  11          2HG2      VAL  11  11.092   2.197   0.023
  112    HA   PRO  12           HA       PRO  12   6.372   6.220  -0.003
  113    HB2  PRO  12           2HB      PRO  12   5.709   6.874  -2.884
  114    HB3  PRO  12           1HB      PRO  12   5.385   7.830  -1.420
  115    HG2  PRO  12           2HG      PRO  12   7.330   8.547  -3.094
  116    HG3  PRO  12           1HG      PRO  12   7.567   8.665  -1.335
  117    HD2  PRO  12           2HD      PRO  12   8.626   6.534  -3.230
  118    HD3  PRO  12           1HD      PRO  12   9.433   7.350  -1.867
  119    H    VAL  13           H        VAL  13   4.456   5.026   0.030
  120    HA   VAL  13           HA       VAL  13   4.415   2.520  -1.558
  121    HB   VAL  13           HB       VAL  13   2.682   3.308   0.828
  122   HG11  VAL  13          1HG1      VAL  13   2.278   0.856   0.946
  123   HG12  VAL  13          2HG1      VAL  13   3.253   0.631  -0.506
  124   HG13  VAL  13          3HG1      VAL  13   1.731   1.514  -0.593
  125   HG21  VAL  13          3HG2      VAL  13   5.229   1.649   0.708
  126   HG22  VAL  13          1HG2      VAL  13   4.213   1.855   2.135
  127   HG23  VAL  13          2HG2      VAL  13   5.070   3.236   1.457
  128    H    LYS  14           H        LYS  14   2.921   2.191  -3.132
  129    HA   LYS  14           HA       LYS  14   0.653   4.125  -3.437
  130    HB2  LYS  14           2HB      LYS  14   2.398   2.903  -5.608
  131    HB3  LYS  14           1HB      LYS  14   0.970   3.901  -5.887
  132    HG2  LYS  14           2HG      LYS  14   2.039   5.776  -4.674
  133    HG3  LYS  14           1HG      LYS  14   3.472   4.782  -4.404
  134    HD2  LYS  14           2HD      LYS  14   3.810   4.592  -6.844
  135    HD3  LYS  14           1HD      LYS  14   2.375   5.580  -7.121
  136    HE2  LYS  14           2HE      LYS  14   4.420   6.952  -7.273
  137    HE3  LYS  14           1HE      LYS  14   3.433   7.459  -5.903
  138    HZ1  LYS  14           3HZ      LYS  14   4.823   6.230  -4.425
  139    HZ2  LYS  14           1HZ      LYS  14   5.822   7.214  -5.379
  140    HZ3  LYS  14           2HZ      LYS  14   5.701   5.552  -5.712
  141    H    LEU  15           H        LEU  15  -1.269   3.187  -3.499
  142    HA   LEU  15           HA       LEU  15  -1.503   0.235  -3.749
  143    HB2  LEU  15           2HB      LEU  15  -3.263   2.425  -2.595
  144    HB3  LEU  15           1HB      LEU  15  -3.988   0.887  -3.057
  145    HG   LEU  15           HG       LEU  15  -2.423  -0.303  -1.548
  146   HD11  LEU  15          1HD1      LEU  15  -1.099   1.082   0.104
  147   HD12  LEU  15          2HD1      LEU  15  -1.454   2.501  -0.887
  148   HD13  LEU  15          3HD1      LEU  15  -0.507   1.170  -1.550
  149   HD21  LEU  15          3HD2      LEU  15  -3.939   1.972  -0.216
  150   HD22  LEU  15          1HD2      LEU  15  -3.417   0.487   0.583
  151   HD23  LEU  15          2HD2      LEU  15  -4.624   0.418  -0.701
  152    H    GLU  16           H        GLU  16  -2.483  -0.704  -5.459
  153    HA   GLU  16           HA       GLU  16  -3.643   1.029  -7.610
  154    HB2  GLU  16           2HB      GLU  16  -1.469  -0.087  -8.181
  155    HB3  GLU  16           1HB      GLU  16  -2.225  -1.651  -7.891
  156    HG2  GLU  16           2HG      GLU  16  -3.874  -1.202  -9.673
  157    HG3  GLU  16           1HG      GLU  16  -3.161   0.387  -9.943
  158    H    LEU  17           H        LEU  17  -5.807   0.850  -7.354
  159    HA   LEU  17           HA       LEU  17  -7.136  -1.419  -6.244
  160    HB2  LEU  17           2HB      LEU  17  -8.304   0.757  -8.029
  161    HB3  LEU  17           1HB      LEU  17  -9.185  -0.259  -6.886
  162    HG   LEU  17           HG       LEU  17  -7.046   1.783  -6.157
  163   HD11  LEU  17          1HD1      LEU  17  -8.926   3.058  -5.189
  164   HD12  LEU  17          2HD1      LEU  17 -10.057   1.835  -5.768
  165   HD13  LEU  17          3HD1      LEU  17  -9.151   2.816  -6.921
  166   HD21  LEU  17          3HD2      LEU  17  -8.033   1.334  -3.782
  167   HD22  LEU  17          1HD2      LEU  17  -6.939   0.128  -4.448
  168   HD23  LEU  17          2HD2      LEU  17  -8.680  -0.155  -4.474
  169    H    THR  18           H        THR  18  -7.588  -3.313  -7.186
  170    HA   THR  18           HA       THR  18  -7.590  -3.523 -10.175
  171    HB   THR  18           HB       THR  18  -6.902  -5.706  -8.179
  172    HG1  THR  18           1HG      THR  18  -5.042  -4.780  -8.102
  173   HG21  THR  18          3HG2      THR  18  -6.003  -6.844 -10.183
  174   HG22  THR  18          1HG2      THR  18  -6.552  -5.502 -11.185
  175   HG23  THR  18          2HG2      THR  18  -7.726  -6.524 -10.356
  176    H    GLY  19           H        GLY  19  -9.405  -4.173 -11.045
  177    HA2  GLY  19           2HA      GLY  19 -11.281  -5.755 -11.140
  178    HA3  GLY  19           1HA      GLY  19 -11.528  -5.514  -9.415
  179    H    ASP  20           H        ASP  20 -13.712  -5.063 -10.084
  180    HA   ASP  20           HA       ASP  20 -14.125  -2.226 -10.958
  181    HB2  ASP  20           2HB      ASP  20 -14.992  -3.915 -12.585
  182    HB3  ASP  20           1HB      ASP  20 -16.037  -4.559 -11.323
  183    H    LYS  21           H        LYS  21 -15.616  -1.025  -9.830
  184    HA   LYS  21           HA       LYS  21 -15.894  -1.614  -7.043
  185    HB2  LYS  21           2HB      LYS  21 -17.291   0.499  -8.713
  186    HB3  LYS  21           1HB      LYS  21 -17.224   0.460  -6.949
  187    HG2  LYS  21           2HG      LYS  21 -14.673   0.505  -7.156
  188    HG3  LYS  21           1HG      LYS  21 -14.891   0.835  -8.871
  189    HD2  LYS  21           2HD      LYS  21 -15.950   2.549  -6.587
  190    HD3  LYS  21           1HD      LYS  21 -14.538   2.914  -7.573
  191    HE2  LYS  21           2HE      LYS  21 -16.105   2.844  -9.610
  192    HE3  LYS  21           1HE      LYS  21 -17.438   2.867  -8.454
  193    HZ1  LYS  21           3HZ      LYS  21 -15.680   4.830  -7.637
  194    HZ2  LYS  21           1HZ      LYS  21 -17.198   5.046  -8.360
  195    HZ3  LYS  21           2HZ      LYS  21 -15.800   5.001  -9.323
  196    H    ALA  22           H        ALA  22 -17.613  -2.375  -5.896
  197    HA   ALA  22           HA       ALA  22 -19.532  -4.035  -7.181
  198    HB1  ALA  22           1HB      ALA  22 -19.532  -2.935  -4.360
  199    HB2  ALA  22           2HB      ALA  22 -18.764  -4.432  -4.879
  200    HB3  ALA  22           3HB      ALA  22 -20.520  -4.278  -4.937
  201    H    SER  23           H        SER  23 -21.803  -3.802  -7.335
  202    HA   SER  23           HA       SER  23 -22.695  -1.274  -8.254
  203    HB2  SER  23           2HB      SER  23 -23.672  -3.392  -9.029
  204    HB3  SER  23           1HB      SER  23 -24.333  -3.681  -7.421
  205    HG   SER  23           HG       SER  23 -25.043  -1.777  -9.360
  206    H    ASN  24           H        ASN  24 -22.616  -2.670  -5.064
  207    HA   ASN  24           HA       ASN  24 -24.643  -0.915  -3.924
  208    HB2  ASN  24           2HB      ASN  24 -24.454  -3.083  -2.936
  209    HB3  ASN  24           1HB      ASN  24 -22.704  -2.986  -2.875
  210   HD21  ASN  24          1HD2      ASN  24 -21.787  -2.271  -0.956
  211   HD22  ASN  24          2HD2      ASN  24 -22.656  -1.570   0.314
  212    H    VAL  25           H        VAL  25 -21.239  -0.866  -4.547
  213    HA   VAL  25           HA       VAL  25 -20.819   1.445  -2.727
  214    HB   VAL  25           HB       VAL  25 -18.783  -0.286  -4.156
  215   HG11  VAL  25          1HG1      VAL  25 -18.510   1.900  -2.052
  216   HG12  VAL  25          2HG1      VAL  25 -17.877   1.940  -3.698
  217   HG13  VAL  25          3HG1      VAL  25 -17.209   0.816  -2.526
  218   HG21  VAL  25          3HG2      VAL  25 -19.689  -0.260  -1.252
  219   HG22  VAL  25          1HG2      VAL  25 -18.387  -1.249  -1.911
  220   HG23  VAL  25          2HG2      VAL  25 -20.048  -1.529  -2.422
  221    H    SER  26           H        SER  26 -20.700   3.407  -3.538
  222    HA   SER  26           HA       SER  26 -20.762   3.885  -6.431
  223    HB2  SER  26           2HB      SER  26 -21.209   5.563  -3.963
  224    HB3  SER  26           1HB      SER  26 -21.041   6.317  -5.551
  225    HG   SER  26           HG       SER  26 -23.197   5.873  -5.195
  226    H    SER  27           H        SER  27 -18.646   4.315  -3.657
  227    HA   SER  27           HA       SER  27 -16.341   4.806  -5.381
  228    HB2  SER  27           2HB      SER  27 -15.721   6.904  -4.300
  229    HB3  SER  27           1HB      SER  27 -17.320   7.077  -5.021
  230    HG   SER  27           HG       SER  27 -18.192   6.638  -2.942
  231    H    ILE  28           H        ILE  28 -14.342   4.717  -4.196
  232    HA   ILE  28           HA       ILE  28 -14.487   3.372  -1.533
  233    HB   ILE  28           HB       ILE  28 -12.641   2.706  -3.860
  234   HG12  ILE  28          2HG1      ILE  28 -14.831   0.993  -2.610
  235   HG13  ILE  28          1HG1      ILE  28 -15.094   1.945  -4.067
  236   HG21  ILE  28          1HG2      ILE  28 -11.965   0.780  -2.352
  237   HG22  ILE  28          2HG2      ILE  28 -12.910   1.515  -1.062
  238   HG23  ILE  28          3HG2      ILE  28 -11.503   2.351  -1.712
  239   HD11  ILE  28          3HD1      ILE  28 -14.531  -0.358  -4.647
  240   HD12  ILE  28          1HD1      ILE  28 -13.032  -0.236  -3.725
  241   HD13  ILE  28          2HD1      ILE  28 -13.251   0.736  -5.177
  242    H    SER  29           H        SER  29 -13.153   4.175  -0.041
  243    HA   SER  29           HA       SER  29 -10.960   6.056  -0.817
  244    HB2  SER  29           2HB      SER  29 -12.861   6.263   1.537
  245    HB3  SER  29           1HB      SER  29 -11.484   7.322   1.233
  246    HG   SER  29           HG       SER  29 -12.995   8.406   0.202
  247    H    TYR  30           H        TYR  30  -9.114   5.956   0.500
  248    HA   TYR  30           HA       TYR  30  -8.964   3.792   2.522
  249    HB2  TYR  30           2HB      TYR  30  -6.842   3.020   1.513
  250    HB3  TYR  30           1HB      TYR  30  -8.200   2.804   0.411
  251    HD1  TYR  30           2HD      TYR  30  -5.181   4.842   1.129
  252    HD2  TYR  30           1HD      TYR  30  -8.414   4.168  -1.631
  253    HE1  TYR  30           2HE      TYR  30  -4.056   6.275  -0.549
  254    HE2  TYR  30           1HE      TYR  30  -7.282   5.608  -3.299
  255    HH   TYR  30           HH       TYR  30  -4.871   7.712  -2.574
  256    H    SER  31           H        SER  31  -7.320   4.051   4.025
  257    HA   SER  31           HA       SER  31  -5.655   6.476   3.994
  258    HB2  SER  31           2HB      SER  31  -6.502   7.271   6.131
  259    HB3  SER  31           1HB      SER  31  -7.852   7.145   5.007
  260    HG   SER  31           HG       SER  31  -8.473   6.168   6.894
  261    H    PHE  32           H        PHE  32  -3.949   6.387   5.476
  262    HA   PHE  32           HA       PHE  32  -3.565   3.949   7.092
  263    HB2  PHE  32           2HB      PHE  32  -1.257   3.684   6.007
  264    HB3  PHE  32           1HB      PHE  32  -2.625   3.218   4.998
  265    HD1  PHE  32           2HD      PHE  32  -0.250   6.028   5.714
  266    HD2  PHE  32           1HD      PHE  32  -3.060   4.373   2.904
  267    HE1  PHE  32           2HE      PHE  32   0.435   7.705   4.032
  268    HE2  PHE  32           1HE      PHE  32  -2.368   6.058   1.231
  269    HZ   PHE  32           HZ       PHE  32  -0.621   7.724   1.792
  270    H    ASP  33           H        ASP  33  -2.079   4.200   8.743
  271    HA   ASP  33           HA       ASP  33  -1.696   6.870   9.708
  272    HB2  ASP  33           2HB      ASP  33  -0.461   4.270  10.666
  273    HB3  ASP  33           1HB      ASP  33  -0.491   5.791  11.555
  274    H    ARG  34           H        ARG  34   0.401   4.512   8.074
  275    HA   ARG  34           HA       ARG  34   2.419   6.631   7.580
  276    HB2  ARG  34           2HB      ARG  34   3.008   3.824   8.594
  277    HB3  ARG  34           1HB      ARG  34   4.224   4.969   8.027
  278    HG2  ARG  34           2HG      ARG  34   3.539   6.560   9.800
  279    HG3  ARG  34           1HG      ARG  34   2.358   5.388  10.383
  280    HD2  ARG  34           2HD      ARG  34   5.347   4.871  10.236
  281    HD3  ARG  34           1HD      ARG  34   4.483   5.343  11.696
  282    HE   ARG  34           HE       ARG  34   3.210   3.072  10.639
  283   HH11  ARG  34          1HH2      ARG  34   6.241   4.018  12.053
  284   HH12  ARG  34          2HH2      ARG  34   6.562   2.455  12.729
  285   HH21  ARG  34          1HH1      ARG  34   3.642   1.031  11.528
  286   HH22  ARG  34          2HH1      ARG  34   5.096   0.771  12.433
  287    H    GLY  35           H        GLY  35   2.972   6.671   5.481
  288    HA2  GLY  35           2HA      GLY  35   2.303   4.341   3.719
  289    HA3  GLY  35           1HA      GLY  35   2.160   6.026   3.236
  290    H    HIS  36           H        HIS  36   4.864   4.984   5.194
  291    HA   HIS  36           HA       HIS  36   6.676   4.775   2.876
  292    HB2  HIS  36           2HB      HIS  36   8.222   6.436   3.913
  293    HB3  HIS  36           1HB      HIS  36   6.697   7.168   3.416
  294    HD2  HIS  36           2HD      HIS  36   8.803   6.804   6.607
  295    HE1  HIS  36           1HE      HIS  36   4.972   8.056   7.864
  296    HE2  HIS  36           2HE      HIS  36   7.373   7.693   8.604
  297    H    VAL  37           H        VAL  37   8.349   3.409   3.264
  298    HA   VAL  37           HA       VAL  37   8.849   2.389   6.026
  299    HB   VAL  37           HB       VAL  37   9.115   0.113   5.021
  300   HG11  VAL  37          1HG1      VAL  37   6.708  -0.330   4.756
  301   HG12  VAL  37          2HG1      VAL  37   6.400   1.390   4.529
  302   HG13  VAL  37          3HG1      VAL  37   6.979   0.794   6.083
  303   HG21  VAL  37          3HG2      VAL  37   7.960   1.453   2.536
  304   HG22  VAL  37          1HG2      VAL  37   8.190  -0.282   2.736
  305   HG23  VAL  37          2HG2      VAL  37   9.585   0.788   2.685
  306    H    THR  38           H        THR  38  10.998   1.377   6.230
  307    HA   THR  38           HA       THR  38  13.018   2.747   4.526
  308    HB   THR  38           HB       THR  38  13.313   1.469   7.278
  309    HG1  THR  38           1HG      THR  38  12.108   3.220   7.611
  310   HG21  THR  38          3HG2      THR  38  15.135   3.285   5.658
  311   HG22  THR  38          1HG2      THR  38  15.438   1.590   6.043
  312   HG23  THR  38          2HG2      THR  38  15.418   2.795   7.326
  313    H    ILE  39           H        ILE  39  14.385   1.573   3.310
  314    HA   ILE  39           HA       ILE  39  14.364  -1.408   3.487
  315    HB   ILE  39           HB       ILE  39  14.806  -1.377   1.055
  316   HG12  ILE  39          2HG1      ILE  39  14.371   1.627   1.253
  317   HG13  ILE  39          1HG1      ILE  39  15.933   0.882   0.972
  318   HG21  ILE  39          1HG2      ILE  39  12.551  -0.740   0.353
  319   HG22  ILE  39          2HG2      ILE  39  12.370   0.321   1.750
  320   HG23  ILE  39          3HG2      ILE  39  12.445  -1.422   1.972
  321   HD11  ILE  39          3HD1      ILE  39  14.967  -0.177  -1.096
  322   HD12  ILE  39          1HD1      ILE  39  15.057   1.586  -1.145
  323   HD13  ILE  39          2HD1      ILE  39  13.514   0.795  -0.837
  324    H    VAL  40           H        VAL  40  16.333  -2.479   3.329
  325    HA   VAL  40           HA       VAL  40  18.825  -0.827   3.295
  326    HB   VAL  40           HB       VAL  40  18.209  -3.098   5.226
  327   HG11  VAL  40          1HG1      VAL  40  20.627  -1.273   4.923
  328   HG12  VAL  40          2HG1      VAL  40  20.596  -3.016   4.663
  329   HG13  VAL  40          3HG1      VAL  40  20.370  -2.368   6.282
  330   HG21  VAL  40          3HG2      VAL  40  18.433  -0.095   5.668
  331   HG22  VAL  40          1HG2      VAL  40  18.266  -1.297   6.949
  332   HG23  VAL  40          2HG2      VAL  40  16.959  -1.055   5.792
  333    H    GLY  41           H        GLY  41  20.388  -1.625   2.033
  334    HA2  GLY  41           2HA      GLY  41  21.140  -4.230   1.545
  335    HA3  GLY  41           1HA      GLY  41  19.877  -3.927   0.356
  336    H    SER  42           H        SER  42  21.517  -4.226  -1.263
  337    HA   SER  42           HA       SER  42  23.813  -2.543  -1.501
  338    HB2  SER  42           2HB      SER  42  23.650  -4.687  -2.684
  339    HB3  SER  42           1HB      SER  42  22.282  -4.084  -3.615
  340    HG   SER  42           HG       SER  42  24.999  -3.410  -3.742
  341    H    GLN  43           H        GLN  43  24.135  -0.738  -2.846
  342    HA   GLN  43           HA       GLN  43  22.009   1.128  -2.935
  343    HB2  GLN  43           2HB      GLN  43  24.454   1.702  -2.772
  344    HB3  GLN  43           1HB      GLN  43  24.643   1.217  -4.453
  345    HG2  GLN  43           2HG      GLN  43  24.390   3.638  -4.354
  346    HG3  GLN  43           1HG      GLN  43  22.952   2.960  -5.103
  347   HE21  GLN  43          1HE2      GLN  43  21.308   4.372  -4.420
  348   HE22  GLN  43          2HE2      GLN  43  21.002   4.757  -2.796
  349    H    GLU  44           H        GLU  44  23.441  -0.989  -5.386
  350    HA   GLU  44           HA       GLU  44  22.140   0.065  -7.650
  351    HB2  GLU  44           2HB      GLU  44  23.039  -2.782  -7.086
  352    HB3  GLU  44           1HB      GLU  44  22.608  -2.156  -8.678
  353    HG2  GLU  44           2HG      GLU  44  24.411  -0.477  -8.515
  354    HG3  GLU  44           1HG      GLU  44  24.842  -1.087  -6.920
  355    H    ALA  45           H        ALA  45  21.122  -2.376  -5.296
  356    HA   ALA  45           HA       ALA  45  18.772  -3.214  -6.646
  357    HB1  ALA  45           1HB      ALA  45  19.855  -4.467  -4.797
  358    HB2  ALA  45           2HB      ALA  45  18.142  -4.182  -4.496
  359    HB3  ALA  45           3HB      ALA  45  19.358  -3.206  -3.668
  360    H    MET  46           H        MET  46  19.409  -0.642  -4.283
  361    HA   MET  46           HA       MET  46  16.689   0.121  -3.875
  362    HB2  MET  46           2HB      MET  46  19.291   1.651  -3.518
  363    HB3  MET  46           1HB      MET  46  17.718   2.262  -3.000
  364    HG2  MET  46           2HG      MET  46  17.434   0.301  -1.532
  365    HG3  MET  46           1HG      MET  46  19.004  -0.315  -2.045
  366    HE1  MET  46           3HE      MET  46  18.440   0.010   0.992
  367    HE2  MET  46           1HE      MET  46  19.995   0.705   1.469
  368    HE3  MET  46           2HE      MET  46  19.929  -0.535   0.220
  369    H    ASP  47           H        ASP  47  19.203   1.216  -6.147
  370    HA   ASP  47           HA       ASP  47  17.776   3.390  -7.248
  371    HB2  ASP  47           2HB      ASP  47  19.907   1.609  -8.476
  372    HB3  ASP  47           1HB      ASP  47  19.381   3.153  -9.143
  373    H    LYS  48           H        LYS  48  17.532  -0.062  -7.735
  374    HA   LYS  48           HA       LYS  48  16.171   0.057 -10.289
  375    HB2  LYS  48           2HB      LYS  48  17.526  -1.895  -9.479
  376    HB3  LYS  48           1HB      LYS  48  16.292  -2.220  -8.267
  377    HG2  LYS  48           2HG      LYS  48  14.605  -2.453 -10.111
  378    HG3  LYS  48           1HG      LYS  48  15.898  -2.238 -11.286
  379    HD2  LYS  48           2HD      LYS  48  15.774  -4.466  -9.210
  380    HD3  LYS  48           1HD      LYS  48  15.333  -4.641 -10.904
  381    HE2  LYS  48           2HE      LYS  48  17.751  -3.815 -11.431
  382    HE3  LYS  48           1HE      LYS  48  18.094  -4.191  -9.740
  383    HZ1  LYS  48           3HZ      LYS  48  17.978  -6.375 -10.120
  384    HZ2  LYS  48           1HZ      LYS  48  18.202  -5.962 -11.750
  385    HZ3  LYS  48           2HZ      LYS  48  16.636  -6.244 -11.154
  386    H    ILE  49           H        ILE  49  15.265  -0.159  -6.883
  387    HA   ILE  49           HA       ILE  49  12.401  -0.433  -7.437
  388    HB   ILE  49           HB       ILE  49  13.840   0.098  -4.799
  389   HG12  ILE  49          2HG1      ILE  49  12.836  -2.569  -5.915
  390   HG13  ILE  49          1HG1      ILE  49  14.520  -2.065  -5.990
  391   HG21  ILE  49          1HG2      ILE  49  11.442   0.658  -4.713
  392   HG22  ILE  49          2HG2      ILE  49  11.724  -0.821  -3.813
  393   HG23  ILE  49          3HG2      ILE  49  11.031  -0.897  -5.432
  394   HD11  ILE  49          3HD1      ILE  49  14.168  -3.512  -4.050
  395   HD12  ILE  49          1HD1      ILE  49  12.905  -2.439  -3.448
  396   HD13  ILE  49          2HD1      ILE  49  14.578  -1.881  -3.519
  397    H    ASP  50           H        ASP  50  11.220   1.284  -8.033
  398    HA   ASP  50           HA       ASP  50  12.056   4.052  -7.337
  399    HB2  ASP  50           2HB      ASP  50  11.642   3.496  -9.726
  400    HB3  ASP  50           1HB      ASP  50   9.990   3.043  -9.325
  401    H    SER  51           H        SER  51   9.631   1.641  -6.828
  402    HA   SER  51           HA       SER  51   8.480   2.990  -4.581
  403    HB2  SER  51           2HB      SER  51   6.238   3.382  -5.481
  404    HB3  SER  51           1HB      SER  51   7.412   4.305  -6.413
  405    HG   SER  51           HG       SER  51   5.873   3.092  -7.684
  406    H    ILE  52           H        ILE  52   6.655   1.767  -3.682
  407    HA   ILE  52           HA       ILE  52   6.841  -1.146  -4.305
  408    HB   ILE  52           HB       ILE  52   5.836   0.226  -1.775
  409   HG12  ILE  52          2HG1      ILE  52   8.211   0.718  -2.017
  410   HG13  ILE  52          1HG1      ILE  52   8.004  -0.499  -0.766
  411   HG21  ILE  52          1HG2      ILE  52   6.482  -2.677  -2.426
  412   HG22  ILE  52          2HG2      ILE  52   4.894  -2.005  -2.044
  413   HG23  ILE  52          3HG2      ILE  52   6.144  -2.074  -0.805
  414   HD11  ILE  52          3HD1      ILE  52   9.829  -1.303  -2.015
  415   HD12  ILE  52          1HD1      ILE  52   9.117  -0.834  -3.553
  416   HD13  ILE  52          2HD1      ILE  52   8.490  -2.233  -2.679
  417    H    THR  53           H        THR  53   5.182  -1.934  -5.403
  418    HA   THR  53           HA       THR  53   2.585  -0.558  -5.519
  419    HB   THR  53           HB       THR  53   3.568  -1.435  -7.601
  420    HG1  THR  53           1HG      THR  53   1.166  -1.816  -6.727
  421   HG21  THR  53          3HG2      THR  53   3.965  -3.784  -7.986
  422   HG22  THR  53          1HG2      THR  53   3.206  -4.227  -6.460
  423   HG23  THR  53          2HG2      THR  53   4.766  -3.408  -6.462
  424    H    VAL  54           H        VAL  54   0.782  -1.266  -4.438
  425    HA   VAL  54           HA       VAL  54   0.837  -3.909  -3.066
  426    HB   VAL  54           HB       VAL  54  -0.201  -1.298  -1.888
  427   HG11  VAL  54          1HG1      VAL  54   0.158  -4.079  -0.709
  428   HG12  VAL  54          2HG1      VAL  54  -1.380  -3.297  -1.079
  429   HG13  VAL  54          3HG1      VAL  54  -0.349  -2.650   0.193
  430   HG21  VAL  54          3HG2      VAL  54   1.750  -1.471  -0.357
  431   HG22  VAL  54          1HG2      VAL  54   2.252  -1.253  -2.032
  432   HG23  VAL  54          2HG2      VAL  54   2.340  -2.847  -1.288
  433    HA   PRO  55           HA       PRO  55  -3.107  -3.227  -5.428
  434    HB2  PRO  55           2HB      PRO  55  -3.332  -5.590  -6.725
  435    HB3  PRO  55           1HB      PRO  55  -2.159  -4.364  -7.263
  436    HG2  PRO  55           2HG      PRO  55  -1.677  -6.834  -5.613
  437    HG3  PRO  55           1HG      PRO  55  -0.721  -6.183  -6.961
  438    HD2  PRO  55           2HD      PRO  55  -0.097  -5.750  -4.258
  439    HD3  PRO  55           1HD      PRO  55   0.437  -4.675  -5.572
  440    H    VAL  56           H        VAL  56  -5.182  -3.798  -4.854
  441    HA   VAL  56           HA       VAL  56  -5.610  -6.052  -2.972
  442    HB   VAL  56           HB       VAL  56  -5.223  -4.003  -1.621
  443   HG11  VAL  56          1HG1      VAL  56  -6.052  -2.366  -3.330
  444   HG12  VAL  56          2HG1      VAL  56  -6.731  -2.103  -1.724
  445   HG13  VAL  56          3HG1      VAL  56  -7.704  -2.872  -2.973
  446   HG21  VAL  56          3HG2      VAL  56  -8.155  -4.841  -1.573
  447   HG22  VAL  56          1HG2      VAL  56  -7.210  -4.206  -0.226
  448   HG23  VAL  56          2HG2      VAL  56  -6.839  -5.794  -0.890
  449    H    ASP  57           H        ASP  57  -7.472  -7.103  -3.264
  450    HA   ASP  57           HA       ASP  57  -9.128  -6.505  -5.572
  451    HB2  ASP  57           2HB      ASP  57  -8.598  -8.832  -4.895
  452    HB3  ASP  57           1HB      ASP  57  -9.481  -8.595  -3.390
  453    H    ILE  58           H        ILE  58 -10.923  -5.253  -5.562
  454    HA   ILE  58           HA       ILE  58 -12.183  -4.493  -2.972
  455    HB   ILE  58           HB       ILE  58 -13.043  -2.531  -4.311
  456   HG12  ILE  58          2HG1      ILE  58 -10.962  -3.386  -6.382
  457   HG13  ILE  58          1HG1      ILE  58 -12.683  -3.702  -6.581
  458   HG21  ILE  58          1HG2      ILE  58 -11.076  -2.312  -2.846
  459   HG22  ILE  58          2HG2      ILE  58 -10.866  -1.321  -4.288
  460   HG23  ILE  58          3HG2      ILE  58 -10.023  -2.863  -4.149
  461   HD11  ILE  58          3HD1      ILE  58 -13.192  -1.331  -6.501
  462   HD12  ILE  58          1HD1      ILE  58 -11.961  -1.618  -7.730
  463   HD13  ILE  58          2HD1      ILE  58 -11.502  -0.935  -6.172
  464    H    SER  59           H        SER  59 -12.609  -6.512  -5.569
  465    HA   SER  59           HA       SER  59 -15.444  -6.099  -6.038
  466    HB2  SER  59           2HB      SER  59 -15.240  -8.082  -7.464
  467    HB3  SER  59           1HB      SER  59 -13.932  -6.950  -7.791
  468    HG   SER  59           HG       SER  59 -12.531  -8.293  -6.912
  469    H    GLN  60           H        GLN  60 -13.600  -7.760  -3.653
  470    HA   GLN  60           HA       GLN  60 -15.815  -9.621  -2.965
  471    HB2  GLN  60           2HB      GLN  60 -12.837  -9.548  -2.432
  472    HB3  GLN  60           1HB      GLN  60 -13.879 -10.458  -1.341
  473    HG2  GLN  60           2HG      GLN  60 -12.952 -11.892  -3.147
  474    HG3  GLN  60           1HG      GLN  60 -14.711 -11.819  -3.200
  475   HE21  GLN  60          1HE2      GLN  60 -15.708 -10.637  -4.985
  476   HE22  GLN  60          2HE2      GLN  60 -14.812 -10.199  -6.357
  477    H    VAL  61           H        VAL  61 -14.533  -6.569  -2.076
  478    HA   VAL  61           HA       VAL  61 -15.482  -6.776   0.720
  479    HB   VAL  61           HB       VAL  61 -14.152  -4.896   1.191
  480   HG11  VAL  61          1HG1      VAL  61 -12.604  -6.391  -0.931
  481   HG12  VAL  61          2HG1      VAL  61 -12.819  -6.918   0.739
  482   HG13  VAL  61          3HG1      VAL  61 -11.919  -5.443   0.385
  483   HG21  VAL  61          3HG2      VAL  61 -14.698  -3.259  -0.437
  484   HG22  VAL  61          1HG2      VAL  61 -14.227  -4.306  -1.768
  485   HG23  VAL  61          2HG2      VAL  61 -12.990  -3.577  -0.751
  486    H    THR  62           H        THR  62 -17.311  -5.843   1.348
  487    HA   THR  62           HA       THR  62 -18.610  -3.743  -0.311
  488    HB   THR  62           HB       THR  62 -20.762  -4.873  -0.068
  489    HG1  THR  62           1HG      THR  62 -19.464  -6.167   1.821
  490   HG21  THR  62          3HG2      THR  62 -19.308  -5.458  -2.028
  491   HG22  THR  62          1HG2      THR  62 -20.383  -6.777  -1.555
  492   HG23  THR  62          2HG2      THR  62 -18.680  -6.825  -1.104
  493    H    GLU  63           H        GLU  63 -17.163  -4.302   2.459
  494    HA   GLU  63           HA       GLU  63 -18.923  -2.506   4.003
  495    HB2  GLU  63           2HB      GLU  63 -17.982  -5.184   5.067
  496    HB3  GLU  63           1HB      GLU  63 -18.783  -3.941   6.021
  497    HG2  GLU  63           2HG      GLU  63 -19.995  -5.441   3.669
  498    HG3  GLU  63           1HG      GLU  63 -20.380  -5.678   5.361
  499    H    ASP  64           H        ASP  64 -17.860  -1.252   5.506
  500    HA   ASP  64           HA       ASP  64 -15.156  -0.652   5.111
  501    HB2  ASP  64           2HB      ASP  64 -16.766   0.886   6.201
  502    HB3  ASP  64           1HB      ASP  64 -16.804  -0.161   7.612
  503    H    THR  65           H        THR  65 -13.283  -1.376   5.970
  504    HA   THR  65           HA       THR  65 -13.083  -2.896   8.402
  505    HB   THR  65           HB       THR  65 -14.010  -4.691   7.036
  506    HG1  THR  65           1HG      THR  65 -11.777  -5.881   6.873
  507   HG21  THR  65          3HG2      THR  65 -11.716  -4.165   5.113
  508   HG22  THR  65          1HG2      THR  65 -13.401  -3.740   4.811
  509   HG23  THR  65          2HG2      THR  65 -12.931  -5.432   4.968
  510    H    SER  66           H        SER  66 -10.790  -4.094   8.300
  511    HA   SER  66           HA       SER  66  -8.771  -2.522   6.848
  512    HB2  SER  66           2HB      SER  66  -9.146  -1.205   8.893
  513    HB3  SER  66           1HB      SER  66  -8.860  -2.637   9.879
  514    HG   SER  66           HG       SER  66  -6.767  -2.608   9.334
  515    H    LYS  67           H        LYS  67  -6.836  -3.573   6.631
  516    HA   LYS  67           HA       LYS  67  -6.387  -6.155   7.996
  517    HB2  LYS  67           2HB      LYS  67  -5.996  -7.275   5.759
  518    HB3  LYS  67           1HB      LYS  67  -7.681  -6.861   6.078
  519    HG2  LYS  67           2HG      LYS  67  -7.451  -4.808   4.729
  520    HG3  LYS  67           1HG      LYS  67  -5.762  -5.203   4.407
  521    HD2  LYS  67           2HD      LYS  67  -6.442  -7.270   3.264
  522    HD3  LYS  67           1HD      LYS  67  -8.133  -6.943   3.640
  523    HE2  LYS  67           2HE      LYS  67  -7.612  -6.269   1.338
  524    HE3  LYS  67           1HE      LYS  67  -8.030  -4.864   2.313
  525    HZ1  LYS  67           3HZ      LYS  67  -5.623  -5.415   0.935
  526    HZ2  LYS  67           1HZ      LYS  67  -5.302  -5.227   2.589
  527    HZ3  LYS  67           2HZ      LYS  67  -6.095  -3.992   1.735
  528    H    THR  68           H        THR  68  -4.287  -6.755   8.136
  529    HA   THR  68           HA       THR  68  -2.293  -4.689   7.588
  530    HB   THR  68           HB       THR  68  -1.888  -7.463   8.779
  531    HG1  THR  68           1HG      THR  68  -2.407  -4.947   9.974
  532   HG21  THR  68          3HG2      THR  68  -0.221  -4.920   8.867
  533   HG22  THR  68          1HG2      THR  68   0.203  -6.404   8.014
  534   HG23  THR  68          2HG2      THR  68   0.128  -6.390   9.774
  535    H    LEU  69           H        LEU  69  -0.799  -4.704   6.001
  536    HA   LEU  69           HA       LEU  69  -0.682  -7.009   4.102
  537    HB2  LEU  69           2HB      LEU  69  -0.355  -4.043   3.545
  538    HB3  LEU  69           1HB      LEU  69  -0.245  -5.334   2.349
  539    HG   LEU  69           HG       LEU  69  -2.715  -4.666   3.993
  540   HD11  LEU  69          1HD1      LEU  69  -2.185  -2.948   2.297
  541   HD12  LEU  69          2HD1      LEU  69  -3.641  -3.842   1.865
  542   HD13  LEU  69          3HD1      LEU  69  -2.119  -4.201   1.057
  543   HD21  LEU  69          3HD2      LEU  69  -2.133  -6.849   1.956
  544   HD22  LEU  69          1HD2      LEU  69  -3.772  -6.218   2.117
  545   HD23  LEU  69          2HD2      LEU  69  -2.986  -6.961   3.496
  546    H    GLU  70           H        GLU  70   1.237  -7.916   3.819
  547    HA   GLU  70           HA       GLU  70   3.629  -6.720   5.085
  548    HB2  GLU  70           2HB      GLU  70   3.136  -9.465   3.878
  549    HB3  GLU  70           1HB      GLU  70   4.613  -8.958   4.700
  550    HG2  GLU  70           2HG      GLU  70   3.328  -8.528   6.765
  551    HG3  GLU  70           1HG      GLU  70   1.846  -9.022   5.951
  552    H    LEU  71           H        LEU  71   5.285  -5.930   3.945
  553    HA   LEU  71           HA       LEU  71   5.170  -5.962   0.958
  554    HB2  LEU  71           2HB      LEU  71   6.675  -4.045   2.779
  555    HB3  LEU  71           1HB      LEU  71   6.388  -3.871   1.048
  556    HG   LEU  71           HG       LEU  71   4.263  -3.831   3.230
  557   HD11  LEU  71          1HD1      LEU  71   5.678  -1.804   3.146
  558   HD12  LEU  71          2HD1      LEU  71   4.027  -1.461   2.645
  559   HD13  LEU  71          3HD1      LEU  71   5.299  -1.613   1.437
  560   HD21  LEU  71          3HD2      LEU  71   2.794  -3.018   1.255
  561   HD22  LEU  71          1HD2      LEU  71   3.178  -4.734   1.303
  562   HD23  LEU  71          2HD2      LEU  71   4.054  -3.670   0.203
  563    H    LYS  72           H        LYS  72   6.776  -6.856  -0.175
  564    HA   LYS  72           HA       LYS  72   9.371  -7.487   1.131
  565    HB2  LYS  72           2HB      LYS  72   7.844  -9.487   1.261
  566    HB3  LYS  72           1HB      LYS  72   7.773  -9.501  -0.498
  567    HG2  LYS  72           2HG      LYS  72  10.221  -9.809  -0.611
  568    HG3  LYS  72           1HG      LYS  72  10.315  -9.746   1.149
  569    HD2  LYS  72           2HD      LYS  72   8.862 -11.754   1.289
  570    HD3  LYS  72           1HD      LYS  72   8.804 -11.821  -0.473
  571    HE2  LYS  72           2HE      LYS  72  11.301 -12.067   1.238
  572    HE3  LYS  72           1HE      LYS  72  10.505 -13.381   0.371
  573    HZ1  LYS  72           3HZ      LYS  72  11.820 -12.852  -1.321
  574    HZ2  LYS  72           1HZ      LYS  72  12.309 -11.394  -0.605
  575    HZ3  LYS  72           2HZ      LYS  72  10.879 -11.452  -1.519
  576    H    ALA  73           H        ALA  73  11.106  -7.556  -0.252
  577    HA   ALA  73           HA       ALA  73  10.739  -7.091  -3.141
  578    HB1  ALA  73           1HB      ALA  73  12.217  -5.101  -3.054
  579    HB2  ALA  73           2HB      ALA  73  12.210  -5.188  -1.292
  580    HB3  ALA  73           3HB      ALA  73  10.718  -4.836  -2.162
  581    H    GLU  74           H        GLU  74  12.418  -7.912  -4.328
  582    HA   GLU  74           HA       GLU  74  14.358  -9.572  -2.904
  583    HB2  GLU  74           2HB      GLU  74  13.712  -9.230  -5.855
  584    HB3  GLU  74           1HB      GLU  74  14.893 -10.378  -5.221
  585    HG2  GLU  74           2HG      GLU  74  12.823 -11.597  -5.516
  586    HG3  GLU  74           1HG      GLU  74  13.031 -11.367  -3.783
  587    H    GLY  75           H        GLY  75  16.231  -8.879  -2.299
  588    HA2  GLY  75           2HA      GLY  75  18.482  -8.232  -3.047
  589    HA3  GLY  75           1HA      GLY  75  17.768  -6.922  -3.974
  590    H    VAL  76           H        VAL  76  15.871  -6.666  -1.479
  591    HA   VAL  76           HA       VAL  76  17.764  -5.286   0.369
  592    HB   VAL  76           HB       VAL  76  16.280  -3.352   0.509
  593   HG11  VAL  76          1HG1      VAL  76  16.980  -4.012  -2.364
  594   HG12  VAL  76          2HG1      VAL  76  18.077  -3.317  -1.174
  595   HG13  VAL  76          3HG1      VAL  76  16.680  -2.396  -1.726
  596   HG21  VAL  76          3HG2      VAL  76  14.402  -3.101  -1.181
  597   HG22  VAL  76          1HG2      VAL  76  14.101  -4.349   0.026
  598   HG23  VAL  76          2HG2      VAL  76  14.619  -4.801  -1.597
  599    H    THR  77           H        THR  77  16.826  -4.875   2.474
  600    HA   THR  77           HA       THR  77  14.827  -6.951   3.265
  601    HB   THR  77           HB       THR  77  16.852  -5.464   4.995
  602    HG1  THR  77           1HG      THR  77  16.924  -8.149   4.118
  603   HG21  THR  77          3HG2      THR  77  14.891  -6.283   6.246
  604   HG22  THR  77          1HG2      THR  77  16.310  -7.256   6.629
  605   HG23  THR  77          2HG2      THR  77  15.087  -7.882   5.527
  606    H    VAL  78           H        VAL  78  12.836  -6.063   3.393
  607    HA   VAL  78           HA       VAL  78  12.478  -3.203   4.005
  608    HB   VAL  78           HB       VAL  78  10.299  -5.294   3.506
  609   HG11  VAL  78          1HG1      VAL  78  10.401  -2.290   3.045
  610   HG12  VAL  78          2HG1      VAL  78   9.597  -3.090   4.395
  611   HG13  VAL  78          3HG1      VAL  78   9.016  -3.340   2.750
  612   HG21  VAL  78          3HG2      VAL  78  11.844  -5.442   1.615
  613   HG22  VAL  78          1HG2      VAL  78  11.869  -3.691   1.452
  614   HG23  VAL  78          2HG2      VAL  78  10.392  -4.585   1.105
  615    H    GLN  79           H        GLN  79  11.855  -2.464   6.020
  616    HA   GLN  79           HA       GLN  79  10.473  -4.228   7.867
  617    HB2  GLN  79           2HB      GLN  79  12.174  -3.905   9.698
  618    HB3  GLN  79           1HB      GLN  79  12.696  -4.943   8.371
  619    HG2  GLN  79           2HG      GLN  79  13.917  -3.064   7.351
  620    HG3  GLN  79           1HG      GLN  79  13.383  -2.002   8.652
  621   HE21  GLN  79          1HE2      GLN  79  15.108  -5.147   8.217
  622   HE22  GLN  79          2HE2      GLN  79  16.169  -4.910   9.521
  623    HA   PRO  80           HA       PRO  80   9.538  -4.038  10.103
  624    HB2  PRO  80           2HB      PRO  80   7.020  -3.301  10.888
  625    HB3  PRO  80           1HB      PRO  80   8.471  -2.727  11.744
  626    HG2  PRO  80           2HG      PRO  80   6.887  -1.321   9.599
  627    HG3  PRO  80           1HG      PRO  80   7.425  -0.694  11.174
  628    HD2  PRO  80           2HD      PRO  80   8.835  -0.156   8.904
  629    HD3  PRO  80           1HD      PRO  80   9.673  -0.438  10.448
  630    H    SER  81           H        SER  81   8.426  -2.400   7.391
  631    HA   SER  81           HA       SER  81   7.321  -2.994   5.485
  632    HB2  SER  81           2HB      SER  81   7.882  -5.102   4.645
  633    HB3  SER  81           1HB      SER  81   9.055  -4.941   5.933
  634    HG   SER  81           HG       SER  81   7.882  -6.293   7.189
  635    H    THR  82           H        THR  82   5.848  -2.956   8.150
  636    HA   THR  82           HA       THR  82   3.332  -4.235   7.196
  637    HB   THR  82           HB       THR  82   2.822  -4.652   9.623
  638    HG1  THR  82           1HG      THR  82   4.338  -3.112  10.411
  639   HG21  THR  82          3HG2      THR  82   5.329  -5.978   8.538
  640   HG22  THR  82          1HG2      THR  82   3.671  -6.502   8.267
  641   HG23  THR  82          2HG2      THR  82   4.373  -6.589   9.882
  642    H    VAL  83           H        VAL  83   1.591  -2.976   7.374
  643    HA   VAL  83           HA       VAL  83   1.566  -0.509   8.957
  644    HB   VAL  83           HB       VAL  83   0.889   0.876   6.962
  645   HG11  VAL  83          1HG1      VAL  83   3.132   1.336   6.190
  646   HG12  VAL  83          2HG1      VAL  83   3.685  -0.285   6.602
  647   HG13  VAL  83          3HG1      VAL  83   3.266   0.858   7.880
  648   HG21  VAL  83          3HG2      VAL  83   1.870  -1.552   5.403
  649   HG22  VAL  83          1HG2      VAL  83   1.487   0.018   4.693
  650   HG23  VAL  83          2HG2      VAL  83   0.216  -0.940   5.447
  651    H    LYS  84           H        LYS  84  -0.576   0.339   9.179
  652    HA   LYS  84           HA       LYS  84  -2.702  -1.688   8.683
  653    HB2  LYS  84           2HB      LYS  84  -2.565   0.676  10.591
  654    HB3  LYS  84           1HB      LYS  84  -3.941  -0.413  10.411
  655    HG2  LYS  84           2HG      LYS  84  -2.588  -2.321  11.136
  656    HG3  LYS  84           1HG      LYS  84  -1.145  -1.308  11.192
  657    HD2  LYS  84           2HD      LYS  84  -2.008  -1.593  13.458
  658    HD3  LYS  84           1HD      LYS  84  -2.209   0.087  12.966
  659    HE2  LYS  84           2HE      LYS  84  -4.575  -0.180  12.680
  660    HE3  LYS  84           1HE      LYS  84  -4.458  -1.942  12.650
  661    HZ1  LYS  84           3HZ      LYS  84  -4.013  -2.012  14.925
  662    HZ2  LYS  84           1HZ      LYS  84  -5.259  -0.872  14.774
  663    HZ3  LYS  84           2HZ      LYS  84  -3.660  -0.352  15.012
  664    H    VAL  85           H        VAL  85  -4.310  -1.228   7.300
  665    HA   VAL  85           HA       VAL  85  -4.662   1.562   6.321
  666    HB   VAL  85           HB       VAL  85  -3.397   0.182   4.687
  667   HG11  VAL  85          1HG1      VAL  85  -4.411  -1.702   3.557
  668   HG12  VAL  85          2HG1      VAL  85  -5.921  -1.496   4.437
  669   HG13  VAL  85          3HG1      VAL  85  -4.465  -2.014   5.289
  670   HG21  VAL  85          3HG2      VAL  85  -4.810   0.711   2.740
  671   HG22  VAL  85          1HG2      VAL  85  -4.858   2.019   3.921
  672   HG23  VAL  85          2HG2      VAL  85  -6.211   0.896   3.791
  673    H    ASN  86           H        ASN  86  -6.651   2.279   6.340
  674    HA   ASN  86           HA       ASN  86  -8.887   0.419   7.023
  675    HB2  ASN  86           2HB      ASN  86  -8.663   3.435   7.365
  676    HB3  ASN  86           1HB      ASN  86 -10.016   2.427   7.878
  677   HD21  ASN  86          1HD2      ASN  86  -7.513   3.999   9.222
  678   HD22  ASN  86          2HD2      ASN  86  -7.095   2.922  10.466
  679    H    LEU  87           H        LEU  87 -10.347   0.032   5.479
  680    HA   LEU  87           HA       LEU  87 -10.492   1.782   3.065
  681    HB2  LEU  87           2HB      LEU  87 -11.389  -1.107   3.374
  682    HB3  LEU  87           1HB      LEU  87 -11.270  -0.185   1.875
  683    HG   LEU  87           HG       LEU  87  -8.938  -0.969   3.666
  684   HD11  LEU  87          1HD1      LEU  87  -9.775  -1.980   0.927
  685   HD12  LEU  87          2HD1      LEU  87  -9.928  -2.875   2.441
  686   HD13  LEU  87          3HD1      LEU  87  -8.330  -2.476   1.809
  687   HD21  LEU  87          3HD2      LEU  87  -8.327   1.095   2.569
  688   HD22  LEU  87          1HD2      LEU  87  -9.051   0.580   1.042
  689   HD23  LEU  87          2HD2      LEU  87  -7.573  -0.183   1.633
  690    H    LYS  88           H        LYS  88 -12.109   3.202   3.313
  691    HA   LYS  88           HA       LYS  88 -14.579   2.449   4.752
  692    HB2  LYS  88           2HB      LYS  88 -13.640   5.079   3.553
  693    HB3  LYS  88           1HB      LYS  88 -15.133   4.857   4.467
  694    HG2  LYS  88           2HG      LYS  88 -13.829   4.122   6.432
  695    HG3  LYS  88           1HG      LYS  88 -12.332   4.347   5.524
  696    HD2  LYS  88           2HD      LYS  88 -12.848   6.751   5.258
  697    HD3  LYS  88           1HD      LYS  88 -14.348   6.531   6.159
  698    HE2  LYS  88           2HE      LYS  88 -13.055   5.798   8.136
  699    HE3  LYS  88           1HE      LYS  88 -11.554   6.024   7.236
  700    HZ1  LYS  88           3HZ      LYS  88 -13.523   8.202   7.609
  701    HZ2  LYS  88           1HZ      LYS  88 -11.908   8.326   7.110
  702    HZ3  LYS  88           2HZ      LYS  88 -12.268   7.913   8.717
  703    H    VAL  89           H        VAL  89 -16.376   1.856   3.714
  704    HA   VAL  89           HA       VAL  89 -16.486   1.883   0.777
  705    HB   VAL  89           HB       VAL  89 -18.438   0.412   1.128
  706   HG11  VAL  89          1HG1      VAL  89 -16.166  -0.565   1.099
  707   HG12  VAL  89          2HG1      VAL  89 -17.246  -1.480   2.150
  708   HG13  VAL  89          3HG1      VAL  89 -16.070  -0.367   2.849
  709   HG21  VAL  89          3HG2      VAL  89 -19.365   1.376   3.195
  710   HG22  VAL  89          1HG2      VAL  89 -17.928   0.891   4.080
  711   HG23  VAL  89          2HG2      VAL  89 -19.028  -0.309   3.435
  712    H    THR  90           H        THR  90 -17.877   3.156  -0.395
  713    HA   THR  90           HA       THR  90 -19.566   5.130   1.092
  714    HB   THR  90           HB       THR  90 -18.706   5.189  -1.833
  715    HG1  THR  90           1HG      THR  90 -16.958   6.223  -1.221
  716   HG21  THR  90          3HG2      THR  90 -19.778   7.332   0.029
  717   HG22  THR  90          1HG2      THR  90 -20.684   6.559  -1.271
  718   HG23  THR  90          2HG2      THR  90 -19.294   7.575  -1.647
  719    H    GLN  91           H        GLN  91 -21.606   4.315   1.309
  720    HA   GLN  91           HA       GLN  91 -22.720   2.374  -0.516
  721    HB2  GLN  91           2HB      GLN  91 -24.078   3.974   1.685
  722    HB3  GLN  91           1HB      GLN  91 -24.718   2.532   0.900
  723    HG2  GLN  91           2HG      GLN  91 -22.150   2.639   2.519
  724    HG3  GLN  91           1HG      GLN  91 -23.690   2.025   3.109
  725   HE21  GLN  91          1HE2      GLN  91 -20.840   0.843   2.166
  726   HE22  GLN  91          2HE2      GLN  91 -21.321  -0.565   1.350
  727    H    LYS  92           H        LYS  92 -23.905   2.734  -2.323
  728    HA   LYS  92           HA       LYS  92 -24.204   5.330  -3.409
  729    HB2  LYS  92           2HB      LYS  92 -24.196   3.213  -4.744
  730    HB3  LYS  92           1HB      LYS  92 -25.803   2.841  -4.124
  731    HG2  LYS  92           2HG      LYS  92 -26.704   4.898  -5.141
  732    HG3  LYS  92           1HG      LYS  92 -25.094   5.344  -5.703
  733    HD2  LYS  92           2HD      LYS  92 -25.019   3.293  -7.091
  734    HD3  LYS  92           1HD      LYS  92 -26.636   2.865  -6.533
  735    HE2  LYS  92           2HE      LYS  92 -26.732   3.964  -8.740
  736    HE3  LYS  92           1HE      LYS  92 -27.532   4.949  -7.516
  737    HZ1  LYS  92           3HZ      LYS  92 -24.734   5.507  -7.721
  738    HZ2  LYS  92           1HZ      LYS  92 -26.053   6.570  -7.782
  739    HZ3  LYS  92           2HZ      LYS  92 -25.543   5.770  -9.191
  740    H    LEU  93           H        LEU  93 -25.346   6.844  -2.326
  741    HA   LEU  93           HA       LEU  93 -27.755   6.277  -0.826
  742    HB2  LEU  93           2HB      LEU  93 -26.647   8.969  -1.720
  743    HB3  LEU  93           1HB      LEU  93 -27.791   8.680  -0.410
  744    HG   LEU  93           HG       LEU  93 -24.907   7.710  -0.491
  745   HD11  LEU  93          1HD1      LEU  93 -24.550   9.367   1.308
  746   HD12  LEU  93          2HD1      LEU  93 -26.232   9.882   1.169
  747   HD13  LEU  93          3HD1      LEU  93 -25.113  10.150  -0.168
  748   HD21  LEU  93          3HD2      LEU  93 -25.428   7.247   2.021
  749   HD22  LEU  93          1HD2      LEU  93 -26.072   6.110   0.844
  750   HD23  LEU  93          2HD2      LEU  93 -27.129   7.331   1.555
  751    H    GLU  94           H        GLU  94 -29.869   6.617  -1.431
  752    HA   GLU  94           HA       GLU  94 -31.672   6.712  -2.864
  753    HB2  GLU  94           2HB      GLU  94 -30.031   8.983  -4.024
  754    HB3  GLU  94           1HB      GLU  94 -31.745   8.710  -4.335
  755    HG2  GLU  94           2HG      GLU  94 -32.229   8.955  -1.926
  756    HG3  GLU  94           1HG      GLU  94 -30.517   9.218  -1.605
  757    H    HIS  95           H        HIS  95 -31.377   4.688  -3.866
  758    HA   HIS  95           HA       HIS  95 -29.655   4.262  -6.110
  759    HB2  HIS  95           2HB      HIS  95 -32.131   2.724  -5.248
  760    HB3  HIS  95           1HB      HIS  95 -30.890   2.152  -6.365
  761    HD2  HIS  95           2HD      HIS  95 -31.566   2.169  -2.595
  762    HE1  HIS  95           1HE      HIS  95 -27.455   1.319  -3.036
  763    HE2  HIS  95           2HE      HIS  95 -29.389   1.377  -1.391
  764    H    HIS  96           H        HIS  96 -29.920   5.339  -7.984
  765    HA   HIS  96           HA       HIS  96 -32.382   6.491  -8.860
  766    HB2  HIS  96           2HB      HIS  96 -29.855   5.884 -10.436
  767    HB3  HIS  96           1HB      HIS  96 -31.154   6.964 -10.941
  768    HD2  HIS  96           2HD      HIS  96 -27.937   7.107  -8.843
  769    HE1  HIS  96           1HE      HIS  96 -30.088  10.632  -7.961
  770    HE2  HIS  96           2HE      HIS  96 -27.854   9.452  -7.695
  771    H    HIS  97           H        HIS  97 -33.992   4.959  -9.022
  772    HA   HIS  97           HA       HIS  97 -34.121   3.438 -11.445
  773    HB2  HIS  97           2HB      HIS  97 -32.685   1.919 -10.078
  774    HB3  HIS  97           1HB      HIS  97 -33.947   1.851  -8.850
  775    HD2  HIS  97           2HD      HIS  97 -35.924  -0.044  -9.370
  776    HE1  HIS  97           1HE      HIS  97 -34.855  -0.888 -13.367
  777    HE2  HIS  97           2HE      HIS  97 -36.396  -1.541 -11.458
  778    H    HIS  98           H        HIS  98 -36.170   3.861 -11.988
  779    HA   HIS  98           HA       HIS  98 -38.400   3.044 -10.400
  780    HB2  HIS  98           2HB      HIS  98 -39.390   5.305 -10.055
  781    HB3  HIS  98           1HB      HIS  98 -37.901   5.085  -9.139
  782    HD2  HIS  98           2HD      HIS  98 -39.331   7.492 -11.767
  783    HE1  HIS  98           1HE      HIS  98 -35.173   8.211 -11.634
  784    HE2  HIS  98           2HE      HIS  98 -37.394   9.076 -12.512
  785    H    HIS  99           H        HIS  99 -36.961   4.517 -13.164
  786    HA   HIS  99           HA       HIS  99 -39.013   3.530 -14.919
  787    HB2  HIS  99           2HB      HIS  99 -40.112   5.603 -14.079
  788    HB3  HIS  99           1HB      HIS  99 -38.741   6.549 -14.652
  789    HD2  HIS  99           2HD      HIS  99 -41.993   4.977 -16.049
  790    HE1  HIS  99           1HE      HIS  99 -39.797   6.394 -19.363
  791    HE2  HIS  99           2HE      HIS  99 -42.036   5.459 -18.614
  792    H    HIS 100           H        HIS 100 -38.183   3.209 -16.930
  793    HA   HIS 100           HA       HIS 100 -35.401   3.517 -17.386
  794    HB2  HIS 100           2HB      HIS 100 -36.832   1.766 -18.452
  795    HB3  HIS 100           1HB      HIS 100 -37.600   3.015 -19.430
  796    HD2  HIS 100           2HD      HIS 100 -34.220   1.040 -19.276
  797    HE1  HIS 100           1HE      HIS 100 -34.054   3.607 -22.624
  798    HE2  HIS 100           2HE      HIS 100 -32.876   1.711 -21.413
  Start of MODEL    7
    1    H1   LYS   1           1HT      LYS   1  38.836  10.191   0.715
    2    H2   LYS   1           2HT      LYS   1  38.818   9.345   2.188
    3    H3   LYS   1           3HT      LYS   1  37.553  10.412   1.803
    4    HA   LYS   1           HA       LYS   1  36.692   9.014   0.156
    5    HB2  LYS   1           2HB      LYS   1  38.939   8.447  -0.809
    6    HB3  LYS   1           1HB      LYS   1  39.194   7.310   0.514
    7    HG2  LYS   1           2HG      LYS   1  37.191   6.032  -0.186
    8    HG3  LYS   1           1HG      LYS   1  36.911   7.185  -1.491
    9    HD2  LYS   1           2HD      LYS   1  39.109   6.587  -2.471
   10    HD3  LYS   1           1HD      LYS   1  39.359   5.419  -1.172
   11    HE2  LYS   1           2HE      LYS   1  37.091   5.359  -3.189
   12    HE3  LYS   1           1HE      LYS   1  38.498   4.296  -3.190
   13    HZ1  LYS   1           2HZ      LYS   1  36.798   3.109  -2.121
   14    HZ2  LYS   1           3HZ      LYS   1  36.327   4.444  -1.182
   15    HZ3  LYS   1           1HZ      LYS   1  37.800   3.665  -0.866
   16    H    ILE   2           H        ILE   2  35.293   8.923   1.986
   17    HA   ILE   2           HA       ILE   2  35.368   6.339   3.424
   18    HB   ILE   2           HB       ILE   2  34.963   7.344   5.560
   19   HG12  ILE   2          2HG1      ILE   2  33.450   9.186   5.011
   20   HG13  ILE   2          1HG1      ILE   2  34.820   9.849   5.879
   21   HG21  ILE   2          1HG2      ILE   2  37.123   9.015   4.220
   22   HG22  ILE   2          2HG2      ILE   2  37.340   7.361   4.798
   23   HG23  ILE   2          3HG2      ILE   2  36.989   8.656   5.940
   24   HD11  ILE   2          3HD1      ILE   2  34.167  10.084   2.940
   25   HD12  ILE   2          1HD1      ILE   2  35.813  10.355   3.512
   26   HD13  ILE   2          2HD1      ILE   2  34.493  11.358   4.108
   27    H    SER   3           H        SER   3  33.226   6.049   4.609
   28    HA   SER   3           HA       SER   3  30.909   7.443   3.706
   29    HB2  SER   3           2HB      SER   3  29.917   5.693   2.319
   30    HB3  SER   3           1HB      SER   3  31.443   6.223   1.614
   31    HG   SER   3           HG       SER   3  32.431   4.417   2.510
   32    H    LEU   4           H        LEU   4  28.921   6.411   4.480
   33    HA   LEU   4           HA       LEU   4  29.234   5.413   7.142
   34    HB2  LEU   4           2HB      LEU   4  26.742   5.443   5.400
   35    HB3  LEU   4           1HB      LEU   4  26.790   5.324   7.159
   36    HG   LEU   4           HG       LEU   4  27.763   7.693   5.518
   37   HD11  LEU   4          1HD1      LEU   4  25.309   7.449   5.520
   38   HD12  LEU   4          2HD1      LEU   4  25.807   8.862   6.450
   39   HD13  LEU   4          3HD1      LEU   4  25.313   7.390   7.285
   40   HD21  LEU   4          3HD2      LEU   4  27.799   7.127   8.510
   41   HD22  LEU   4          1HD2      LEU   4  27.733   8.789   7.910
   42   HD23  LEU   4          2HD2      LEU   4  29.089   7.760   7.487
   43    H    ARG   5           H        ARG   5  28.734   3.399   7.974
   44    HA   ARG   5           HA       ARG   5  29.570   1.165   6.456
   45    HB2  ARG   5           2HB      ARG   5  28.016   1.294   9.058
   46    HB3  ARG   5           1HB      ARG   5  28.826  -0.141   8.429
   47    HG2  ARG   5           2HG      ARG   5  30.998   0.997   8.540
   48    HG3  ARG   5           1HG      ARG   5  30.219   2.484   9.084
   49    HD2  ARG   5           2HD      ARG   5  31.148   1.290  11.010
   50    HD3  ARG   5           1HD      ARG   5  29.387   1.292  11.098
   51    HE   ARG   5           HE       ARG   5  29.411  -1.019  10.837
   52   HH11  ARG   5          1HH2      ARG   5  32.455   0.321   9.854
   53   HH12  ARG   5          2HH2      ARG   5  33.222  -1.217   9.646
   54   HH21  ARG   5          1HH1      ARG   5  30.414  -3.039  10.555
   55   HH22  ARG   5          2HH1      ARG   5  32.067  -3.119  10.044
   56    H    LYS   6           H        LYS   6  26.454   1.091   8.123
   57    HA   LYS   6           HA       LYS   6  25.233  -0.362   5.911
   58    HB2  LYS   6           2HB      LYS   6  24.136   0.560   8.575
   59    HB3  LYS   6           1HB      LYS   6  23.300  -0.514   7.449
   60    HG2  LYS   6           2HG      LYS   6  25.236  -2.116   7.623
   61    HG3  LYS   6           1HG      LYS   6  25.933  -1.082   8.868
   62    HD2  LYS   6           2HD      LYS   6  23.191  -2.400   9.031
   63    HD3  LYS   6           1HD      LYS   6  24.647  -3.015   9.811
   64    HE2  LYS   6           2HE      LYS   6  23.149  -0.439  10.448
   65    HE3  LYS   6           1HE      LYS   6  23.478  -1.796  11.517
   66    HZ1  LYS   6           3HZ      LYS   6  25.258   0.347  10.644
   67    HZ2  LYS   6           1HZ      LYS   6  25.942  -1.185  10.887
   68    HZ3  LYS   6           2HZ      LYS   6  25.125  -0.412  12.160
   69    H    LEU   7           H        LEU   7  23.620   0.379   4.613
   70    HA   LEU   7           HA       LEU   7  22.997   3.295   4.664
   71    HB2  LEU   7           2HB      LEU   7  22.961   1.392   2.288
   72    HB3  LEU   7           1HB      LEU   7  22.814   3.152   2.252
   73    HG   LEU   7           HG       LEU   7  25.274   1.588   3.132
   74   HD11  LEU   7          1HD1      LEU   7  26.291   2.471   1.082
   75   HD12  LEU   7          2HD1      LEU   7  24.780   3.275   0.664
   76   HD13  LEU   7          3HD1      LEU   7  24.860   1.512   0.704
   77   HD21  LEU   7          3HD2      LEU   7  25.326   3.621   4.393
   78   HD22  LEU   7          1HD2      LEU   7  24.698   4.578   3.053
   79   HD23  LEU   7          2HD2      LEU   7  26.348   3.949   3.001
   80    H    SER   8           H        SER   8  20.923   3.891   4.069
   81    HA   SER   8           HA       SER   8  18.787   1.894   3.931
   82    HB2  SER   8           2HB      SER   8  18.978   2.063   6.324
   83    HB3  SER   8           1HB      SER   8  19.147   3.815   6.244
   84    HG   SER   8           HG       SER   8  16.896   2.629   5.102
   85    H    LYS   9           H        LYS   9  16.789   2.797   3.390
   86    HA   LYS   9           HA       LYS   9  16.574   5.614   2.717
   87    HB2  LYS   9           2HB      LYS   9  17.794   4.150   0.777
   88    HB3  LYS   9           1HB      LYS   9  16.135   3.741   0.371
   89    HG2  LYS   9           2HG      LYS   9  16.445   5.678  -0.956
   90    HG3  LYS   9           1HG      LYS   9  15.750   6.393   0.498
   91    HD2  LYS   9           2HD      LYS   9  18.086   6.849   1.326
   92    HD3  LYS   9           1HD      LYS   9  18.709   6.220  -0.195
   93    HE2  LYS   9           2HE      LYS   9  17.472   7.963  -1.426
   94    HE3  LYS   9           1HE      LYS   9  16.849   8.594   0.102
   95    HZ1  LYS   9           3HZ      LYS   9  18.747   9.866  -0.470
   96    HZ2  LYS   9           1HZ      LYS   9  19.674   8.479  -0.777
   97    HZ3  LYS   9           2HZ      LYS   9  19.202   8.850   0.813
   98    H    SER  10           H        SER  10  14.461   6.115   1.805
   99    HA   SER  10           HA       SER  10  12.317   4.202   2.595
  100    HB2  SER  10           2HB      SER  10  11.024   6.104   3.429
  101    HB3  SER  10           1HB      SER  10  12.554   5.994   4.294
  102    HG   SER  10           HG       SER  10  13.264   7.752   3.281
  103    H    VAL  11           H        VAL  11  10.710   4.001   1.156
  104    HA   VAL  11           HA       VAL  11  10.593   5.871  -1.133
  105    HB   VAL  11           HB       VAL  11  10.099   3.895  -2.611
  106   HG11  VAL  11          1HG1      VAL  11  12.790   3.862  -1.202
  107   HG12  VAL  11          2HG1      VAL  11  12.343   4.923  -2.539
  108   HG13  VAL  11          3HG1      VAL  11  12.453   3.183  -2.794
  109   HG21  VAL  11          3HG2      VAL  11  10.769   1.649  -1.774
  110   HG22  VAL  11          1HG2      VAL  11   9.412   2.298  -0.852
  111   HG23  VAL  11          2HG2      VAL  11  11.039   2.330  -0.171
  112    HA   PRO  12           HA       PRO  12   6.247   5.837  -0.098
  113    HB2  PRO  12           2HB      PRO  12   5.146   6.965  -2.333
  114    HB3  PRO  12           1HB      PRO  12   6.183   7.906  -1.237
  115    HG2  PRO  12           2HG      PRO  12   6.923   6.558  -3.831
  116    HG3  PRO  12           1HG      PRO  12   7.304   8.207  -3.282
  117    HD2  PRO  12           2HD      PRO  12   9.110   6.152  -3.041
  118    HD3  PRO  12           1HD      PRO  12   9.027   7.483  -1.861
  119    H    VAL  13           H        VAL  13   4.504   4.508  -0.316
  120    HA   VAL  13           HA       VAL  13   4.683   2.254  -2.228
  121    HB   VAL  13           HB       VAL  13   3.142   1.119  -0.762
  122   HG11  VAL  13          1HG1      VAL  13   5.514   1.240  -0.033
  123   HG12  VAL  13          2HG1      VAL  13   4.412   1.100   1.334
  124   HG13  VAL  13          3HG1      VAL  13   5.128   2.659   0.939
  125   HG21  VAL  13          3HG2      VAL  13   1.511   2.791  -0.162
  126   HG22  VAL  13          1HG2      VAL  13   2.734   3.849   0.529
  127   HG23  VAL  13          2HG2      VAL  13   2.285   2.360   1.360
  128    H    LYS  14           H        LYS  14   3.025   1.787  -3.648
  129    HA   LYS  14           HA       LYS  14   0.865   3.834  -4.005
  130    HB2  LYS  14           2HB      LYS  14   2.416   2.271  -6.097
  131    HB3  LYS  14           1HB      LYS  14   1.041   3.329  -6.434
  132    HG2  LYS  14           2HG      LYS  14   2.278   5.241  -5.461
  133    HG3  LYS  14           1HG      LYS  14   3.656   4.183  -5.146
  134    HD2  LYS  14           2HD      LYS  14   3.868   3.723  -7.559
  135    HD3  LYS  14           1HD      LYS  14   2.484   4.768  -7.885
  136    HE2  LYS  14           2HE      LYS  14   3.702   6.689  -6.925
  137    HE3  LYS  14           1HE      LYS  14   5.090   5.648  -6.601
  138    HZ1  LYS  14           3HZ      LYS  14   4.655   5.137  -9.176
  139    HZ2  LYS  14           1HZ      LYS  14   5.723   6.333  -8.623
  140    HZ3  LYS  14           2HZ      LYS  14   4.151   6.758  -9.104
  141    H    LEU  15           H        LEU  15  -1.159   3.067  -4.276
  142    HA   LEU  15           HA       LEU  15  -1.583   0.123  -4.179
  143    HB2  LEU  15           2HB      LEU  15  -3.427   2.339  -3.211
  144    HB3  LEU  15           1HB      LEU  15  -3.667   0.601  -3.036
  145    HG   LEU  15           HG       LEU  15  -1.148   0.890  -1.865
  146   HD11  LEU  15          1HD1      LEU  15  -2.700   3.371  -1.070
  147   HD12  LEU  15          2HD1      LEU  15  -1.268   3.358  -2.100
  148   HD13  LEU  15          3HD1      LEU  15  -1.148   2.837  -0.420
  149   HD21  LEU  15          3HD2      LEU  15  -3.833   1.157  -0.471
  150   HD22  LEU  15          1HD2      LEU  15  -2.312   0.740   0.322
  151   HD23  LEU  15          2HD2      LEU  15  -3.013  -0.353  -0.873
  152    H    GLU  16           H        GLU  16  -2.802  -0.781  -5.698
  153    HA   GLU  16           HA       GLU  16  -4.172   0.951  -7.720
  154    HB2  GLU  16           2HB      GLU  16  -2.709  -1.677  -8.131
  155    HB3  GLU  16           1HB      GLU  16  -3.588  -0.779  -9.371
  156    HG2  GLU  16           2HG      GLU  16  -2.075   1.160  -9.027
  157    HG3  GLU  16           1HG      GLU  16  -1.189   0.240  -7.813
  158    H    LEU  17           H        LEU  17  -6.278   0.692  -7.591
  159    HA   LEU  17           HA       LEU  17  -7.550  -1.461  -6.175
  160    HB2  LEU  17           2HB      LEU  17  -8.791   0.563  -8.086
  161    HB3  LEU  17           1HB      LEU  17  -9.610  -0.339  -6.809
  162    HG   LEU  17           HG       LEU  17  -7.442   1.757  -6.401
  163   HD11  LEU  17          1HD1      LEU  17 -10.420   1.836  -5.831
  164   HD12  LEU  17          2HD1      LEU  17  -9.593   2.702  -7.127
  165   HD13  LEU  17          3HD1      LEU  17  -9.265   3.109  -5.443
  166   HD21  LEU  17          3HD2      LEU  17  -7.208   0.248  -4.566
  167   HD22  LEU  17          1HD2      LEU  17  -8.946  -0.015  -4.433
  168   HD23  LEU  17          2HD2      LEU  17  -8.237   1.522  -3.933
  169    H    THR  18           H        THR  18  -8.083  -3.384  -6.950
  170    HA   THR  18           HA       THR  18  -8.223  -3.849  -9.898
  171    HB   THR  18           HB       THR  18  -7.433  -6.119  -9.432
  172    HG1  THR  18           1HG      THR  18  -7.889  -6.714  -7.466
  173   HG21  THR  18          3HG2      THR  18  -5.128  -5.564  -8.764
  174   HG22  THR  18          1HG2      THR  18  -5.675  -4.011  -8.136
  175   HG23  THR  18          2HG2      THR  18  -5.762  -4.341  -9.866
  176    H    GLY  19           H        GLY  19 -10.083  -4.553 -10.605
  177    HA2  GLY  19           2HA      GLY  19 -11.931  -6.138 -10.481
  178    HA3  GLY  19           1HA      GLY  19 -12.080  -5.807  -8.759
  179    H    ASP  20           H        ASP  20 -14.207  -5.636 -10.493
  180    HA   ASP  20           HA       ASP  20 -14.675  -2.824 -11.177
  181    HB2  ASP  20           2HB      ASP  20 -15.576  -4.670 -12.589
  182    HB3  ASP  20           1HB      ASP  20 -16.597  -5.176 -11.248
  183    H    LYS  21           H        LYS  21 -16.095  -1.492 -10.134
  184    HA   LYS  21           HA       LYS  21 -16.351  -1.747  -7.319
  185    HB2  LYS  21           2HB      LYS  21 -17.710   0.295  -7.479
  186    HB3  LYS  21           1HB      LYS  21 -16.231   0.433  -8.435
  187    HG2  LYS  21           2HG      LYS  21 -17.617  -0.299 -10.474
  188    HG3  LYS  21           1HG      LYS  21 -19.053  -0.097  -9.467
  189    HD2  LYS  21           2HD      LYS  21 -17.018   2.069 -10.107
  190    HD3  LYS  21           1HD      LYS  21 -18.617   1.918 -10.828
  191    HE2  LYS  21           2HE      LYS  21 -19.561   2.084  -8.431
  192    HE3  LYS  21           1HE      LYS  21 -17.944   2.611  -7.949
  193    HZ1  LYS  21           3HZ      LYS  21 -18.060   4.457  -9.363
  194    HZ2  LYS  21           1HZ      LYS  21 -19.552   4.412  -8.558
  195    HZ3  LYS  21           2HZ      LYS  21 -19.441   3.875 -10.166
  196    H    ALA  22           H        ALA  22 -18.010  -2.448  -6.069
  197    HA   ALA  22           HA       ALA  22 -19.945  -4.227  -7.159
  198    HB1  ALA  22           1HB      ALA  22 -19.040  -4.400  -4.858
  199    HB2  ALA  22           2HB      ALA  22 -20.802  -4.365  -4.881
  200    HB3  ALA  22           3HB      ALA  22 -19.898  -2.924  -4.430
  201    H    SER  23           H        SER  23 -22.268  -4.026  -6.965
  202    HA   SER  23           HA       SER  23 -23.260  -1.596  -8.120
  203    HB2  SER  23           2HB      SER  23 -24.208  -3.800  -8.671
  204    HB3  SER  23           1HB      SER  23 -24.777  -3.975  -7.012
  205    HG   SER  23           HG       SER  23 -25.828  -2.563  -9.084
  206    H    ASN  24           H        ASN  24 -23.209  -2.924  -4.863
  207    HA   ASN  24           HA       ASN  24 -25.138  -1.003  -3.805
  208    HB2  ASN  24           2HB      ASN  24 -24.648  -2.067  -1.643
  209    HB3  ASN  24           1HB      ASN  24 -25.011  -3.273  -2.872
  210   HD21  ASN  24          1HD2      ASN  24 -22.725  -2.378  -0.502
  211   HD22  ASN  24          2HD2      ASN  24 -21.463  -3.394  -1.000
  212    H    VAL  25           H        VAL  25 -21.840  -0.968  -4.554
  213    HA   VAL  25           HA       VAL  25 -21.216   1.181  -2.569
  214    HB   VAL  25           HB       VAL  25 -19.361  -0.540  -4.258
  215   HG11  VAL  25          1HG1      VAL  25 -18.359   1.665  -3.813
  216   HG12  VAL  25          2HG1      VAL  25 -17.588   0.447  -2.816
  217   HG13  VAL  25          3HG1      VAL  25 -18.782   1.529  -2.105
  218   HG21  VAL  25          3HG2      VAL  25 -18.787  -1.599  -2.105
  219   HG22  VAL  25          1HG2      VAL  25 -20.509  -1.777  -2.425
  220   HG23  VAL  25          2HG2      VAL  25 -19.955  -0.571  -1.277
  221    H    SER  26           H        SER  26 -20.998   3.187  -3.284
  222    HA   SER  26           HA       SER  26 -21.278   3.830  -6.132
  223    HB2  SER  26           2HB      SER  26 -21.277   5.453  -3.582
  224    HB3  SER  26           1HB      SER  26 -21.311   6.208  -5.178
  225    HG   SER  26           HG       SER  26 -23.176   4.897  -5.596
  226    H    SER  27           H        SER  27 -18.937   4.236  -3.486
  227    HA   SER  27           HA       SER  27 -16.709   4.329  -5.356
  228    HB2  SER  27           2HB      SER  27 -17.466   6.675  -5.394
  229    HB3  SER  27           1HB      SER  27 -17.359   6.744  -3.638
  230    HG   SER  27           HG       SER  27 -15.433   7.080  -5.460
  231    H    ILE  28           H        ILE  28 -14.662   4.348  -4.267
  232    HA   ILE  28           HA       ILE  28 -14.716   3.532  -1.397
  233    HB   ILE  28           HB       ILE  28 -13.120   2.163  -3.605
  234   HG12  ILE  28          2HG1      ILE  28 -15.457   1.108  -1.954
  235   HG13  ILE  28          1HG1      ILE  28 -15.608   1.664  -3.619
  236   HG21  ILE  28          1HG2      ILE  28 -12.545   0.548  -1.757
  237   HG22  ILE  28          2HG2      ILE  28 -13.383   1.594  -0.618
  238   HG23  ILE  28          3HG2      ILE  28 -11.931   2.164  -1.432
  239   HD11  ILE  28          3HD1      ILE  28 -13.944  -0.668  -2.649
  240   HD12  ILE  28          1HD1      ILE  28 -13.922  -0.050  -4.301
  241   HD13  ILE  28          2HD1      ILE  28 -15.401  -0.741  -3.637
  242    H    SER  29           H        SER  29 -13.018   4.181  -0.216
  243    HA   SER  29           HA       SER  29 -10.825   5.751  -1.480
  244    HB2  SER  29           2HB      SER  29 -12.342   6.486   1.046
  245    HB3  SER  29           1HB      SER  29 -10.985   7.368   0.346
  246    HG   SER  29           HG       SER  29 -12.236   7.926  -1.368
  247    H    TYR  30           H        TYR  30  -8.913   5.857  -0.193
  248    HA   TYR  30           HA       TYR  30  -8.628   3.885   1.992
  249    HB2  TYR  30           2HB      TYR  30  -6.611   2.959   0.906
  250    HB3  TYR  30           1HB      TYR  30  -8.049   2.687  -0.074
  251    HD1  TYR  30           1HD      TYR  30  -4.938   4.692   0.233
  252    HD2  TYR  30           2HD      TYR  30  -8.373   3.847  -2.219
  253    HE1  TYR  30           1HE      TYR  30  -3.898   5.913  -1.657
  254    HE2  TYR  30           2HE      TYR  30  -7.323   5.066  -4.102
  255    HH   TYR  30           HH       TYR  30  -4.481   5.605  -4.583
  256    H    SER  31           H        SER  31  -6.859   4.265   3.314
  257    HA   SER  31           HA       SER  31  -5.145   6.611   2.887
  258    HB2  SER  31           2HB      SER  31  -7.145   7.581   3.939
  259    HB3  SER  31           1HB      SER  31  -7.053   6.393   5.236
  260    HG   SER  31           HG       SER  31  -5.264   8.490   4.600
  261    H    PHE  32           H        PHE  32  -3.498   6.772   4.559
  262    HA   PHE  32           HA       PHE  32  -2.993   4.338   6.158
  263    HB2  PHE  32           2HB      PHE  32  -0.614   4.322   5.233
  264    HB3  PHE  32           1HB      PHE  32  -1.857   3.795   4.098
  265    HD1  PHE  32           2HD      PHE  32   0.222   6.746   5.110
  266    HD2  PHE  32           1HD      PHE  32  -2.251   5.024   2.037
  267    HE1  PHE  32           2HE      PHE  32   0.902   8.544   3.550
  268    HE2  PHE  32           1HE      PHE  32  -1.572   6.832   0.489
  269    HZ   PHE  32           HZ       PHE  32   0.004   8.590   1.242
  270    H    ASP  33           H        ASP  33  -1.669   4.667   7.902
  271    HA   ASP  33           HA       ASP  33  -1.577   7.339   8.963
  272    HB2  ASP  33           2HB      ASP  33  -0.346   4.748   9.952
  273    HB3  ASP  33           1HB      ASP  33  -0.438   6.243  10.880
  274    H    ARG  34           H        ARG  34   0.742   5.160   7.421
  275    HA   ARG  34           HA       ARG  34   2.759   7.361   7.321
  276    HB2  ARG  34           2HB      ARG  34   3.308   4.453   8.002
  277    HB3  ARG  34           1HB      ARG  34   4.535   5.697   7.748
  278    HG2  ARG  34           2HG      ARG  34   3.616   6.994   9.644
  279    HG3  ARG  34           1HG      ARG  34   2.390   5.752   9.898
  280    HD2  ARG  34           2HD      ARG  34   4.250   5.426  11.456
  281    HD3  ARG  34           1HD      ARG  34   4.171   4.084  10.314
  282    HE   ARG  34           HE       ARG  34   5.908   6.101   9.315
  283   HH11  ARG  34          1HH2      ARG  34   5.668   3.670  11.776
  284   HH12  ARG  34          2HH2      ARG  34   7.376   3.408  11.874
  285   HH21  ARG  34          1HH1      ARG  34   8.146   5.753   9.438
  286   HH22  ARG  34          2HH1      ARG  34   8.780   4.586  10.551
  287    H    GLY  35           H        GLY  35   1.979   4.089   6.126
  288    HA2  GLY  35           2HA      GLY  35   2.136   3.183   4.015
  289    HA3  GLY  35           1HA      GLY  35   1.810   4.811   3.433
  290    H    HIS  36           H        HIS  36   4.627   4.110   5.410
  291    HA   HIS  36           HA       HIS  36   6.430   4.080   3.055
  292    HB2  HIS  36           2HB      HIS  36   6.731   5.965   5.430
  293    HB3  HIS  36           1HB      HIS  36   7.846   5.805   4.068
  294    HD2  HIS  36           2HD      HIS  36   5.452   8.364   4.924
  295    HE1  HIS  36           1HE      HIS  36   4.578   7.696   0.849
  296    HE2  HIS  36           2HE      HIS  36   4.260   9.297   2.796
  297    H    VAL  37           H        VAL  37   8.138   2.776   3.359
  298    HA   VAL  37           HA       VAL  37   8.731   1.680   6.071
  299    HB   VAL  37           HB       VAL  37   9.100  -0.528   4.970
  300   HG11  VAL  37          1HG1      VAL  37   6.941  -0.021   6.057
  301   HG12  VAL  37          2HG1      VAL  37   6.705  -1.066   4.659
  302   HG13  VAL  37          3HG1      VAL  37   6.330   0.651   4.544
  303   HG21  VAL  37          3HG2      VAL  37   7.863   0.840   2.542
  304   HG22  VAL  37          1HG2      VAL  37   8.207  -0.883   2.674
  305   HG23  VAL  37          2HG2      VAL  37   9.529   0.278   2.657
  306    H    THR  38           H        THR  38  10.884   0.790   6.227
  307    HA   THR  38           HA       THR  38  12.834   2.331   4.609
  308    HB   THR  38           HB       THR  38  13.251   0.900   7.271
  309    HG1  THR  38           1HG      THR  38  11.705   2.747   7.127
  310   HG21  THR  38          3HG2      THR  38  15.318   1.317   5.991
  311   HG22  THR  38          1HG2      THR  38  15.235   2.387   7.389
  312   HG23  THR  38          2HG2      THR  38  14.855   3.007   5.785
  313    H    ILE  39           H        ILE  39  14.375   1.306   3.472
  314    HA   ILE  39           HA       ILE  39  14.438  -1.675   3.422
  315    HB   ILE  39           HB       ILE  39  14.994  -1.457   1.016
  316   HG12  ILE  39          2HG1      ILE  39  14.390   1.504   1.414
  317   HG13  ILE  39          1HG1      ILE  39  15.994   0.852   1.126
  318   HG21  ILE  39          1HG2      ILE  39  12.735  -0.895   0.257
  319   HG22  ILE  39          2HG2      ILE  39  12.435   0.036   1.725
  320   HG23  ILE  39          3HG2      ILE  39  12.613  -1.711   1.813
  321   HD11  ILE  39          3HD1      ILE  39  13.634   0.847  -0.761
  322   HD12  ILE  39          1HD1      ILE  39  15.089  -0.112  -1.048
  323   HD13  ILE  39          2HD1      ILE  39  15.191   1.649  -0.974
  324    H    VAL  40           H        VAL  40  16.408  -2.639   3.207
  325    HA   VAL  40           HA       VAL  40  18.845  -0.933   3.468
  326    HB   VAL  40           HB       VAL  40  18.249  -3.474   5.033
  327   HG11  VAL  40          1HG1      VAL  40  20.650  -3.224   4.578
  328   HG12  VAL  40          2HG1      VAL  40  20.344  -2.827   6.264
  329   HG13  VAL  40          3HG1      VAL  40  20.598  -1.538   5.091
  330   HG21  VAL  40          3HG2      VAL  40  16.891  -1.581   5.826
  331   HG22  VAL  40          1HG2      VAL  40  18.328  -0.559   5.907
  332   HG23  VAL  40          2HG2      VAL  40  18.162  -1.941   6.992
  333    H    GLY  41           H        GLY  41  20.475  -1.511   2.208
  334    HA2  GLY  41           2HA      GLY  41  21.399  -3.946   1.414
  335    HA3  GLY  41           1HA      GLY  41  20.143  -3.611   0.230
  336    H    SER  42           H        SER  42  21.797  -3.576  -1.371
  337    HA   SER  42           HA       SER  42  23.901  -1.586  -1.330
  338    HB2  SER  42           2HB      SER  42  22.834  -3.310  -3.581
  339    HB3  SER  42           1HB      SER  42  24.302  -2.338  -3.646
  340    HG   SER  42           HG       SER  42  25.048  -3.569  -1.835
  341    H    GLN  43           H        GLN  43  24.016   0.268  -2.615
  342    HA   GLN  43           HA       GLN  43  21.654   1.802  -2.855
  343    HB2  GLN  43           2HB      GLN  43  24.373   2.192  -4.149
  344    HB3  GLN  43           1HB      GLN  43  23.117   3.427  -4.056
  345    HG2  GLN  43           2HG      GLN  43  24.386   2.076  -1.638
  346    HG3  GLN  43           1HG      GLN  43  24.853   3.657  -2.255
  347   HE21  GLN  43          1HE2      GLN  43  22.852   2.172   0.017
  348   HE22  GLN  43          2HE2      GLN  43  21.739   3.435   0.240
  349    H    GLU  44           H        GLU  44  23.340  -0.294  -5.097
  350    HA   GLU  44           HA       GLU  44  22.197   0.596  -7.507
  351    HB2  GLU  44           2HB      GLU  44  23.072  -2.192  -6.683
  352    HB3  GLU  44           1HB      GLU  44  22.742  -1.692  -8.343
  353    HG2  GLU  44           2HG      GLU  44  24.523   0.010  -8.191
  354    HG3  GLU  44           1HG      GLU  44  24.850  -0.472  -6.528
  355    H    ALA  45           H        ALA  45  21.126  -1.947  -5.254
  356    HA   ALA  45           HA       ALA  45  18.811  -2.706  -6.695
  357    HB1  ALA  45           1HB      ALA  45  18.100  -3.765  -4.602
  358    HB2  ALA  45           2HB      ALA  45  19.329  -2.866  -3.710
  359    HB3  ALA  45           3HB      ALA  45  19.807  -4.075  -4.900
  360    H    MET  46           H        MET  46  19.377  -0.255  -4.218
  361    HA   MET  46           HA       MET  46  16.653   0.473  -3.801
  362    HB2  MET  46           2HB      MET  46  19.232   2.026  -3.379
  363    HB3  MET  46           1HB      MET  46  17.648   2.577  -2.831
  364    HG2  MET  46           2HG      MET  46  17.415   0.534  -1.460
  365    HG3  MET  46           1HG      MET  46  19.002  -0.005  -1.995
  366    HE1  MET  46           3HE      MET  46  19.892  -0.312   0.270
  367    HE2  MET  46           1HE      MET  46  18.364   0.157   1.024
  368    HE3  MET  46           2HE      MET  46  19.879   0.860   1.584
  369    H    ASP  47           H        ASP  47  19.162   1.640  -6.034
  370    HA   ASP  47           HA       ASP  47  17.773   3.868  -7.047
  371    HB2  ASP  47           2HB      ASP  47  19.816   2.071  -8.390
  372    HB3  ASP  47           1HB      ASP  47  19.325   3.656  -8.981
  373    H    LYS  48           H        LYS  48  17.533   0.426  -7.776
  374    HA   LYS  48           HA       LYS  48  16.038   0.749 -10.231
  375    HB2  LYS  48           2HB      LYS  48  16.496  -1.611  -8.374
  376    HB3  LYS  48           1HB      LYS  48  15.639  -1.722  -9.914
  377    HG2  LYS  48           2HG      LYS  48  17.637  -0.904 -11.100
  378    HG3  LYS  48           1HG      LYS  48  18.500  -0.767  -9.573
  379    HD2  LYS  48           2HD      LYS  48  18.240  -3.203  -9.211
  380    HD3  LYS  48           1HD      LYS  48  17.393  -3.332 -10.752
  381    HE2  LYS  48           2HE      LYS  48  19.397  -2.497 -11.929
  382    HE3  LYS  48           1HE      LYS  48  20.246  -2.361 -10.388
  383    HZ1  LYS  48           3HZ      LYS  48  20.911  -4.422 -10.991
  384    HZ2  LYS  48           1HZ      LYS  48  19.523  -4.740 -11.911
  385    HZ3  LYS  48           2HZ      LYS  48  19.461  -4.858 -10.219
  386    H    ILE  49           H        ILE  49  15.298   0.251  -6.815
  387    HA   ILE  49           HA       ILE  49  12.410   0.032  -7.334
  388    HB   ILE  49           HB       ILE  49  13.913   0.118  -4.678
  389   HG12  ILE  49          2HG1      ILE  49  12.862  -2.317  -6.204
  390   HG13  ILE  49          1HG1      ILE  49  14.551  -1.824  -6.207
  391   HG21  ILE  49          1HG2      ILE  49  11.505   0.685  -4.480
  392   HG22  ILE  49          2HG2      ILE  49  11.800  -0.911  -3.807
  393   HG23  ILE  49          3HG2      ILE  49  11.080  -0.751  -5.407
  394   HD11  ILE  49          3HD1      ILE  49  12.945  -2.611  -3.757
  395   HD12  ILE  49          1HD1      ILE  49  14.617  -2.049  -3.738
  396   HD13  ILE  49          2HD1      ILE  49  14.206  -3.569  -4.533
  397    H    ASP  50           H        ASP  50  11.255   1.823  -7.603
  398    HA   ASP  50           HA       ASP  50  12.080   4.392  -6.329
  399    HB2  ASP  50           2HB      ASP  50  10.280   3.879  -8.716
  400    HB3  ASP  50           1HB      ASP  50  10.738   5.459  -8.083
  401    H    SER  51           H        SER  51   9.654   1.925  -6.457
  402    HA   SER  51           HA       SER  51   8.271   2.973  -4.176
  403    HB2  SER  51           2HB      SER  51   6.118   3.444  -5.244
  404    HB3  SER  51           1HB      SER  51   7.358   4.494  -5.920
  405    HG   SER  51           HG       SER  51   7.161   2.104  -7.217
  406    H    ILE  52           H        ILE  52   6.531   1.558  -3.506
  407    HA   ILE  52           HA       ILE  52   6.764  -1.207  -4.606
  408    HB   ILE  52           HB       ILE  52   5.885  -0.313  -1.840
  409   HG12  ILE  52          2HG1      ILE  52   8.488  -1.619  -2.752
  410   HG13  ILE  52          1HG1      ILE  52   8.329   0.088  -2.350
  411   HG21  ILE  52          1HG2      ILE  52   4.858  -2.458  -2.557
  412   HG22  ILE  52          2HG2      ILE  52   6.073  -2.754  -1.326
  413   HG23  ILE  52          3HG2      ILE  52   6.445  -3.070  -3.016
  414   HD11  ILE  52          3HD1      ILE  52   9.214  -1.113  -0.441
  415   HD12  ILE  52          1HD1      ILE  52   7.852  -2.227  -0.472
  416   HD13  ILE  52          2HD1      ILE  52   7.591  -0.530  -0.072
  417    H    THR  53           H        THR  53   5.019  -2.007  -5.542
  418    HA   THR  53           HA       THR  53   2.495  -0.507  -5.552
  419    HB   THR  53           HB       THR  53   3.184  -3.061  -7.065
  420    HG1  THR  53           1HG      THR  53   3.889  -0.424  -7.418
  421   HG21  THR  53          3HG2      THR  53   1.372  -2.287  -8.566
  422   HG22  THR  53          1HG2      THR  53   1.101  -0.892  -7.527
  423   HG23  THR  53          2HG2      THR  53   0.765  -2.515  -6.927
  424    H    VAL  54           H        VAL  54   0.694  -1.144  -4.377
  425    HA   VAL  54           HA       VAL  54   0.710  -3.865  -3.177
  426    HB   VAL  54           HB       VAL  54  -0.253  -1.340  -1.811
  427   HG11  VAL  54          1HG1      VAL  54  -0.319  -2.821   0.176
  428   HG12  VAL  54          2HG1      VAL  54   0.197  -4.181  -0.817
  429   HG13  VAL  54          3HG1      VAL  54  -1.370  -3.428  -1.102
  430   HG21  VAL  54          3HG2      VAL  54   2.200  -1.288  -2.083
  431   HG22  VAL  54          1HG2      VAL  54   2.310  -2.924  -1.446
  432   HG23  VAL  54          2HG2      VAL  54   1.782  -1.601  -0.408
  433    HA   PRO  55           HA       PRO  55  -3.288  -3.110  -5.400
  434    HB2  PRO  55           2HB      PRO  55  -3.528  -5.495  -6.697
  435    HB3  PRO  55           1HB      PRO  55  -2.421  -4.232  -7.281
  436    HG2  PRO  55           2HG      PRO  55  -1.787  -6.721  -5.725
  437    HG3  PRO  55           1HG      PRO  55  -0.878  -5.966  -7.049
  438    HD2  PRO  55           2HD      PRO  55  -0.283  -5.649  -4.318
  439    HD3  PRO  55           1HD      PRO  55   0.271  -4.541  -5.592
  440    H    VAL  56           H        VAL  56  -5.347  -3.727  -4.829
  441    HA   VAL  56           HA       VAL  56  -5.756  -6.017  -3.002
  442    HB   VAL  56           HB       VAL  56  -5.310  -4.023  -1.577
  443   HG11  VAL  56          1HG1      VAL  56  -7.855  -2.826  -2.753
  444   HG12  VAL  56          2HG1      VAL  56  -6.237  -2.339  -3.258
  445   HG13  VAL  56          3HG1      VAL  56  -6.752  -2.082  -1.593
  446   HG21  VAL  56          3HG2      VAL  56  -6.889  -5.834  -0.843
  447   HG22  VAL  56          1HG2      VAL  56  -8.233  -4.895  -1.497
  448   HG23  VAL  56          2HG2      VAL  56  -7.290  -4.267  -0.150
  449    H    ASP  57           H        ASP  57  -7.625  -7.014  -3.317
  450    HA   ASP  57           HA       ASP  57  -9.293  -6.294  -5.565
  451    HB2  ASP  57           2HB      ASP  57  -9.667  -8.445  -3.457
  452    HB3  ASP  57           1HB      ASP  57 -10.560  -8.315  -4.974
  453    H    ILE  58           H        ILE  58 -11.117  -5.101  -5.518
  454    HA   ILE  58           HA       ILE  58 -12.230  -4.256  -2.903
  455    HB   ILE  58           HB       ILE  58 -13.235  -2.405  -4.223
  456   HG12  ILE  58          2HG1      ILE  58 -11.506  -3.401  -6.536
  457   HG13  ILE  58          1HG1      ILE  58 -13.237  -3.692  -6.451
  458   HG21  ILE  58          1HG2      ILE  58 -11.114  -1.182  -4.589
  459   HG22  ILE  58          2HG2      ILE  58 -10.230  -2.706  -4.527
  460   HG23  ILE  58          3HG2      ILE  58 -11.061  -2.113  -3.090
  461   HD11  ILE  58          3HD1      ILE  58 -12.733  -1.718  -7.827
  462   HD12  ILE  58          1HD1      ILE  58 -11.949  -0.953  -6.448
  463   HD13  ILE  58          2HD1      ILE  58 -13.679  -1.288  -6.405
  464    H    SER  59           H        SER  59 -12.806  -6.314  -5.533
  465    HA   SER  59           HA       SER  59 -15.586  -6.093  -5.888
  466    HB2  SER  59           2HB      SER  59 -15.448  -8.394  -6.780
  467    HB3  SER  59           1HB      SER  59 -14.143  -7.386  -7.396
  468    HG   SER  59           HG       SER  59 -13.667  -8.728  -5.013
  469    H    GLN  60           H        GLN  60 -13.693  -7.960  -3.539
  470    HA   GLN  60           HA       GLN  60 -16.066  -9.179  -2.331
  471    HB2  GLN  60           2HB      GLN  60 -13.127  -9.243  -1.564
  472    HB3  GLN  60           1HB      GLN  60 -14.398 -10.203  -0.801
  473    HG2  GLN  60           2HG      GLN  60 -14.896 -11.270  -2.978
  474    HG3  GLN  60           1HG      GLN  60 -13.614 -10.323  -3.732
  475   HE21  GLN  60          1HE2      GLN  60 -11.991 -11.842  -4.153
  476   HE22  GLN  60          2HE2      GLN  60 -11.348 -12.901  -2.993
  477    H    VAL  61           H        VAL  61 -14.568  -6.187  -2.154
  478    HA   VAL  61           HA       VAL  61 -15.038  -5.780   0.739
  479    HB   VAL  61           HB       VAL  61 -13.945  -3.852  -1.341
  480   HG11  VAL  61          1HG1      VAL  61 -14.836  -2.694   0.618
  481   HG12  VAL  61          2HG1      VAL  61 -13.083  -2.649   0.678
  482   HG13  VAL  61          3HG1      VAL  61 -13.969  -3.783   1.698
  483   HG21  VAL  61          3HG2      VAL  61 -11.732  -4.418  -0.401
  484   HG22  VAL  61          1HG2      VAL  61 -12.498  -5.854  -1.080
  485   HG23  VAL  61          2HG2      VAL  61 -12.482  -5.605   0.665
  486    H    THR  62           H        THR  62 -17.013  -5.194   1.341
  487    HA   THR  62           HA       THR  62 -18.588  -3.281  -0.314
  488    HB   THR  62           HB       THR  62 -20.611  -4.563   0.178
  489    HG1  THR  62           1HG      THR  62 -20.567  -5.959   1.717
  490   HG21  THR  62          3HG2      THR  62 -20.163  -6.529  -1.220
  491   HG22  THR  62          1HG2      THR  62 -18.431  -6.349  -0.944
  492   HG23  THR  62          2HG2      THR  62 -19.309  -5.128  -1.866
  493    H    GLU  63           H        GLU  63 -17.019  -3.800   2.520
  494    HA   GLU  63           HA       GLU  63 -18.676  -1.815   3.950
  495    HB2  GLU  63           2HB      GLU  63 -17.914  -4.510   5.144
  496    HB3  GLU  63           1HB      GLU  63 -18.643  -3.170   6.029
  497    HG2  GLU  63           2HG      GLU  63 -20.615  -3.276   4.470
  498    HG3  GLU  63           1HG      GLU  63 -19.902  -4.702   3.726
  499    H    ASP  64           H        ASP  64 -17.560  -0.806   5.686
  500    HA   ASP  64           HA       ASP  64 -14.830  -0.257   5.150
  501    HB2  ASP  64           2HB      ASP  64 -16.372   1.339   6.265
  502    HB3  ASP  64           1HB      ASP  64 -16.404   0.301   7.688
  503    H    THR  65           H        THR  65 -13.003  -1.044   5.987
  504    HA   THR  65           HA       THR  65 -12.820  -2.634   8.377
  505    HB   THR  65           HB       THR  65 -13.812  -4.360   6.966
  506    HG1  THR  65           1HG      THR  65 -11.477  -5.494   6.718
  507   HG21  THR  65          3HG2      THR  65 -11.526  -3.835   5.033
  508   HG22  THR  65          1HG2      THR  65 -13.205  -3.372   4.763
  509   HG23  THR  65          2HG2      THR  65 -12.766  -5.075   4.868
  510    H    SER  66           H        SER  66 -10.570  -3.788   8.360
  511    HA   SER  66           HA       SER  66  -8.520  -2.253   6.885
  512    HB2  SER  66           2HB      SER  66  -8.827  -1.000   8.974
  513    HB3  SER  66           1HB      SER  66  -8.618  -2.479   9.909
  514    HG   SER  66           HG       SER  66  -6.751  -1.058   8.344
  515    H    LYS  67           H        LYS  67  -6.726  -3.420   6.469
  516    HA   LYS  67           HA       LYS  67  -6.379  -6.096   7.735
  517    HB2  LYS  67           2HB      LYS  67  -6.343  -5.574   4.736
  518    HB3  LYS  67           1HB      LYS  67  -6.048  -7.118   5.538
  519    HG2  LYS  67           2HG      LYS  67  -8.377  -6.977   6.528
  520    HG3  LYS  67           1HG      LYS  67  -8.634  -5.524   5.564
  521    HD2  LYS  67           2HD      LYS  67  -9.558  -7.133   4.118
  522    HD3  LYS  67           1HD      LYS  67  -7.903  -7.097   3.516
  523    HE2  LYS  67           2HE      LYS  67  -8.635  -9.410   3.803
  524    HE3  LYS  67           1HE      LYS  67  -7.391  -9.061   5.001
  525    HZ1  LYS  67           3HZ      LYS  67 -10.215  -8.616   5.666
  526    HZ2  LYS  67           1HZ      LYS  67  -8.917  -8.977   6.694
  527    HZ3  LYS  67           2HZ      LYS  67  -9.589 -10.195   5.717
  528    H    THR  68           H        THR  68  -4.295  -6.763   7.915
  529    HA   THR  68           HA       THR  68  -2.222  -4.734   7.519
  530    HB   THR  68           HB       THR  68  -1.947  -7.569   8.605
  531    HG1  THR  68           1HG      THR  68  -2.772  -5.143   9.737
  532   HG21  THR  68          3HG2      THR  68   0.058  -6.612   9.707
  533   HG22  THR  68          1HG2      THR  68  -0.234  -5.072   8.900
  534   HG23  THR  68          2HG2      THR  68   0.185  -6.500   7.953
  535    H    LEU  69           H        LEU  69  -0.784  -4.728   5.897
  536    HA   LEU  69           HA       LEU  69  -0.675  -7.020   3.984
  537    HB2  LEU  69           2HB      LEU  69  -0.284  -4.061   3.396
  538    HB3  LEU  69           1HB      LEU  69  -0.323  -5.379   2.220
  539    HG   LEU  69           HG       LEU  69  -2.645  -4.533   3.999
  540   HD11  LEU  69          1HD1      LEU  69  -2.195  -4.162   1.032
  541   HD12  LEU  69          2HD1      LEU  69  -2.131  -2.886   2.247
  542   HD13  LEU  69          3HD1      LEU  69  -3.652  -3.712   1.905
  543   HD21  LEU  69          3HD2      LEU  69  -3.935  -6.063   2.303
  544   HD22  LEU  69          1HD2      LEU  69  -3.008  -6.850   3.573
  545   HD23  LEU  69          2HD2      LEU  69  -2.355  -6.758   1.938
  546    H    GLU  70           H        GLU  70   1.225  -7.894   3.693
  547    HA   GLU  70           HA       GLU  70   3.641  -6.706   4.916
  548    HB2  GLU  70           2HB      GLU  70   4.584  -9.002   4.584
  549    HB3  GLU  70           1HB      GLU  70   3.144  -8.991   5.599
  550    HG2  GLU  70           2HG      GLU  70   1.765  -9.667   3.653
  551    HG3  GLU  70           1HG      GLU  70   3.204  -9.698   2.643
  552    H    LEU  71           H        LEU  71   5.327  -6.083   3.720
  553    HA   LEU  71           HA       LEU  71   5.156  -6.256   0.742
  554    HB2  LEU  71           2HB      LEU  71   6.647  -4.195   2.415
  555    HB3  LEU  71           1HB      LEU  71   6.322  -4.144   0.681
  556    HG   LEU  71           HG       LEU  71   4.243  -3.992   2.900
  557   HD11  LEU  71          1HD1      LEU  71   5.601  -1.955   2.659
  558   HD12  LEU  71          2HD1      LEU  71   3.944  -1.676   2.131
  559   HD13  LEU  71          3HD1      LEU  71   5.224  -1.899   0.937
  560   HD21  LEU  71          3HD2      LEU  71   2.714  -3.372   0.914
  561   HD22  LEU  71          1HD2      LEU  71   3.140  -5.066   1.072
  562   HD23  LEU  71          2HD2      LEU  71   3.959  -4.067  -0.125
  563    H    LYS  72           H        LYS  72   6.795  -7.102  -0.336
  564    HA   LYS  72           HA       LYS  72   9.339  -7.782   1.072
  565    HB2  LYS  72           2HB      LYS  72   7.693  -9.569  -0.752
  566    HB3  LYS  72           1HB      LYS  72   9.303  -9.952  -0.135
  567    HG2  LYS  72           2HG      LYS  72   8.440  -9.799   2.187
  568    HG3  LYS  72           1HG      LYS  72   6.828  -9.454   1.555
  569    HD2  LYS  72           2HD      LYS  72   6.789 -11.632   0.408
  570    HD3  LYS  72           1HD      LYS  72   8.414 -11.984   0.998
  571    HE2  LYS  72           2HE      LYS  72   6.720 -13.077   2.415
  572    HE3  LYS  72           1HE      LYS  72   7.593 -11.848   3.331
  573    HZ1  LYS  72           3HZ      LYS  72   5.379 -10.689   2.015
  574    HZ2  LYS  72           1HZ      LYS  72   5.710 -10.763   3.678
  575    HZ3  LYS  72           2HZ      LYS  72   4.859 -12.026   2.926
  576    H    ALA  73           H        ALA  73  11.136  -7.513  -0.129
  577    HA   ALA  73           HA       ALA  73  10.913  -6.815  -3.003
  578    HB1  ALA  73           1HB      ALA  73  12.600  -5.005  -2.560
  579    HB2  ALA  73           2HB      ALA  73  12.373  -5.290  -0.835
  580    HB3  ALA  73           3HB      ALA  73  11.036  -4.695  -1.806
  581    H    GLU  74           H        GLU  74  12.601  -7.491  -4.196
  582    HA   GLU  74           HA       GLU  74  14.312  -9.559  -3.063
  583    HB2  GLU  74           2HB      GLU  74  14.906  -9.976  -5.433
  584    HB3  GLU  74           1HB      GLU  74  13.164  -9.990  -5.165
  585    HG2  GLU  74           2HG      GLU  74  13.053  -7.624  -5.978
  586    HG3  GLU  74           1HG      GLU  74  14.777  -7.687  -6.325
  587    H    GLY  75           H        GLY  75  16.404  -9.470  -2.738
  588    HA2  GLY  75           2HA      GLY  75  18.645  -8.771  -3.021
  589    HA3  GLY  75           1HA      GLY  75  18.096  -7.348  -3.893
  590    H    VAL  76           H        VAL  76  16.126  -6.722  -1.717
  591    HA   VAL  76           HA       VAL  76  18.018  -5.641   0.334
  592    HB   VAL  76           HB       VAL  76  16.633  -3.654   0.456
  593   HG11  VAL  76          1HG1      VAL  76  16.969  -2.737  -1.799
  594   HG12  VAL  76          2HG1      VAL  76  17.126  -4.363  -2.455
  595   HG13  VAL  76          3HG1      VAL  76  18.340  -3.744  -1.346
  596   HG21  VAL  76          3HG2      VAL  76  14.797  -5.116  -1.494
  597   HG22  VAL  76          1HG2      VAL  76  14.681  -3.378  -1.193
  598   HG23  VAL  76          2HG2      VAL  76  14.398  -4.518   0.117
  599    H    THR  77           H        THR  77  16.983  -5.217   2.411
  600    HA   THR  77           HA       THR  77  14.961  -7.302   3.102
  601    HB   THR  77           HB       THR  77  16.980  -5.930   4.925
  602    HG1  THR  77           1HG      THR  77  17.887  -7.288   3.286
  603   HG21  THR  77          3HG2      THR  77  15.165  -8.349   5.294
  604   HG22  THR  77          1HG2      THR  77  15.002  -6.793   6.110
  605   HG23  THR  77          2HG2      THR  77  16.392  -7.822   6.443
  606    H    VAL  78           H        VAL  78  13.013  -6.461   3.365
  607    HA   VAL  78           HA       VAL  78  12.671  -3.614   4.063
  608    HB   VAL  78           HB       VAL  78  10.463  -5.636   3.444
  609   HG11  VAL  78          1HG1      VAL  78   9.826  -3.439   4.413
  610   HG12  VAL  78          2HG1      VAL  78   9.242  -3.615   2.760
  611   HG13  VAL  78          3HG1      VAL  78  10.658  -2.619   3.092
  612   HG21  VAL  78          3HG2      VAL  78  12.009  -5.794   1.578
  613   HG22  VAL  78          1HG2      VAL  78  12.166  -4.043   1.490
  614   HG23  VAL  78          2HG2      VAL  78  10.641  -4.810   1.067
  615    H    GLN  79           H        GLN  79  12.056  -2.990   6.053
  616    HA   GLN  79           HA       GLN  79  10.594  -4.779   7.756
  617    HB2  GLN  79           2HB      GLN  79  12.251  -4.622   9.656
  618    HB3  GLN  79           1HB      GLN  79  12.741  -5.648   8.306
  619    HG2  GLN  79           2HG      GLN  79  14.080  -3.787   7.378
  620    HG3  GLN  79           1HG      GLN  79  13.604  -2.774   8.740
  621   HE21  GLN  79          1HE2      GLN  79  16.215  -2.963   8.678
  622   HE22  GLN  79          2HE2      GLN  79  16.843  -4.130   9.738
  623    HA   PRO  80           HA       PRO  80   9.694  -4.704   9.941
  624    HB2  PRO  80           2HB      PRO  80   7.176  -3.954  10.738
  625    HB3  PRO  80           1HB      PRO  80   8.628  -3.569  11.686
  626    HG2  PRO  80           2HG      PRO  80   7.134  -1.815   9.745
  627    HG3  PRO  80           1HG      PRO  80   7.756  -1.414  11.361
  628    HD2  PRO  80           2HD      PRO  80   9.129  -0.718   9.088
  629    HD3  PRO  80           1HD      PRO  80   9.979  -1.161  10.587
  630    H    SER  81           H        SER  81   8.635  -2.779   7.362
  631    HA   SER  81           HA       SER  81   7.584  -3.234   5.378
  632    HB2  SER  81           2HB      SER  81   8.049  -5.320   4.435
  633    HB3  SER  81           1HB      SER  81   9.173  -5.365   5.779
  634    HG   SER  81           HG       SER  81   8.119  -7.151   6.206
  635    H    THR  82           H        THR  82   6.057  -3.104   7.975
  636    HA   THR  82           HA       THR  82   3.502  -4.305   7.017
  637    HB   THR  82           HB       THR  82   2.956  -4.677   9.449
  638    HG1  THR  82           1HG      THR  82   4.711  -3.138  10.055
  639   HG21  THR  82          3HG2      THR  82   5.434  -6.097   8.439
  640   HG22  THR  82          1HG2      THR  82   3.776  -6.540   8.066
  641   HG23  THR  82          2HG2      THR  82   4.381  -6.680   9.717
  642    H    VAL  83           H        VAL  83   1.821  -2.979   7.115
  643    HA   VAL  83           HA       VAL  83   1.849  -0.488   8.669
  644    HB   VAL  83           HB       VAL  83   1.300   0.871   6.623
  645   HG11  VAL  83          1HG1      VAL  83   4.037  -0.454   6.364
  646   HG12  VAL  83          2HG1      VAL  83   3.656   0.754   7.588
  647   HG13  VAL  83          3HG1      VAL  83   3.585   1.178   5.881
  648   HG21  VAL  83          3HG2      VAL  83   2.234  -1.616   5.133
  649   HG22  VAL  83          1HG2      VAL  83   1.860  -0.060   4.397
  650   HG23  VAL  83          2HG2      VAL  83   0.581  -1.002   5.155
  651    H    LYS  84           H        LYS  84  -0.236   0.364   8.953
  652    HA   LYS  84           HA       LYS  84  -2.439  -1.540   8.437
  653    HB2  LYS  84           2HB      LYS  84  -2.222   0.933  10.198
  654    HB3  LYS  84           1HB      LYS  84  -3.637  -0.122  10.090
  655    HG2  LYS  84           2HG      LYS  84  -2.258  -2.038  10.854
  656    HG3  LYS  84           1HG      LYS  84  -0.860  -0.967  10.988
  657    HD2  LYS  84           2HD      LYS  84  -2.035   0.395  12.668
  658    HD3  LYS  84           1HD      LYS  84  -3.462  -0.635  12.523
  659    HE2  LYS  84           2HE      LYS  84  -2.096  -1.279  14.480
  660    HE3  LYS  84           1HE      LYS  84  -2.147  -2.578  13.287
  661    HZ1  LYS  84           3HZ      LYS  84   0.106  -1.865  14.291
  662    HZ2  LYS  84           1HZ      LYS  84   0.009  -0.576  13.193
  663    HZ3  LYS  84           2HZ      LYS  84   0.004  -2.179  12.625
  664    H    VAL  85           H        VAL  85  -4.001  -1.078   7.021
  665    HA   VAL  85           HA       VAL  85  -4.224   1.666   5.873
  666    HB   VAL  85           HB       VAL  85  -3.058   0.047   4.335
  667   HG11  VAL  85          1HG1      VAL  85  -5.735  -1.392   4.107
  668   HG12  VAL  85          2HG1      VAL  85  -4.444  -1.971   5.153
  669   HG13  VAL  85          3HG1      VAL  85  -4.180  -1.867   3.419
  670   HG21  VAL  85          3HG2      VAL  85  -4.461   0.579   2.366
  671   HG22  VAL  85          1HG2      VAL  85  -4.339   1.963   3.450
  672   HG23  VAL  85          2HG2      VAL  85  -5.802   0.984   3.431
  673    H    ASN  86           H        ASN  86  -6.217   2.449   5.850
  674    HA   ASN  86           HA       ASN  86  -8.498   0.703   6.676
  675    HB2  ASN  86           2HB      ASN  86  -8.164   3.722   6.835
  676    HB3  ASN  86           1HB      ASN  86  -9.551   2.796   7.414
  677   HD21  ASN  86          1HD2      ASN  86  -7.236   4.430   8.779
  678   HD22  ASN  86          2HD2      ASN  86  -6.739   3.392  10.025
  679    H    LEU  87           H        LEU  87 -10.000   0.299   5.201
  680    HA   LEU  87           HA       LEU  87 -10.144   1.901   2.687
  681    HB2  LEU  87           2HB      LEU  87 -11.135  -0.941   3.163
  682    HB3  LEU  87           1HB      LEU  87 -10.937  -0.115   1.616
  683    HG   LEU  87           HG       LEU  87  -8.691  -0.899   3.516
  684   HD11  LEU  87          1HD1      LEU  87  -9.496  -2.013   0.812
  685   HD12  LEU  87          2HD1      LEU  87  -9.708  -2.819   2.367
  686   HD13  LEU  87          3HD1      LEU  87  -8.086  -2.508   1.747
  687   HD21  LEU  87          3HD2      LEU  87  -8.668   0.536   0.834
  688   HD22  LEU  87          1HD2      LEU  87  -7.235  -0.250   1.498
  689   HD23  LEU  87          2HD2      LEU  87  -7.977   1.089   2.357
  690    H    LYS  88           H        LYS  88 -11.705   3.394   2.984
  691    HA   LYS  88           HA       LYS  88 -14.141   2.773   4.501
  692    HB2  LYS  88           2HB      LYS  88 -13.175   5.278   3.071
  693    HB3  LYS  88           1HB      LYS  88 -14.647   5.169   4.043
  694    HG2  LYS  88           2HG      LYS  88 -13.290   4.535   6.016
  695    HG3  LYS  88           1HG      LYS  88 -11.822   4.666   5.043
  696    HD2  LYS  88           2HD      LYS  88 -12.299   7.051   4.631
  697    HD3  LYS  88           1HD      LYS  88 -13.774   6.927   5.593
  698    HE2  LYS  88           2HE      LYS  88 -12.429   6.294   7.569
  699    HE3  LYS  88           1HE      LYS  88 -10.955   6.436   6.607
  700    HZ1  LYS  88           3HZ      LYS  88 -11.968   8.784   6.108
  701    HZ2  LYS  88           1HZ      LYS  88 -11.051   8.505   7.507
  702    HZ3  LYS  88           2HZ      LYS  88 -12.748   8.526   7.594
  703    H    VAL  89           H        VAL  89 -15.961   2.159   3.535
  704    HA   VAL  89           HA       VAL  89 -16.148   2.188   0.567
  705    HB   VAL  89           HB       VAL  89 -17.789   0.545   2.550
  706   HG11  VAL  89          1HG1      VAL  89 -18.273  -0.818   0.548
  707   HG12  VAL  89          2HG1      VAL  89 -17.274   0.252  -0.431
  708   HG13  VAL  89          3HG1      VAL  89 -18.762   0.855   0.286
  709   HG21  VAL  89          3HG2      VAL  89 -15.410  -0.049   2.780
  710   HG22  VAL  89          1HG2      VAL  89 -15.271  -0.229   1.031
  711   HG23  VAL  89          2HG2      VAL  89 -16.288  -1.328   1.959
  712    H    THR  90           H        THR  90 -17.695   3.384  -0.377
  713    HA   THR  90           HA       THR  90 -19.568   4.935   1.331
  714    HB   THR  90           HB       THR  90 -18.861   5.339  -1.606
  715    HG1  THR  90           1HG      THR  90 -17.037   5.852  -0.650
  716   HG21  THR  90          3HG2      THR  90 -20.229   7.114   0.447
  717   HG22  THR  90          1HG2      THR  90 -21.001   6.352  -0.946
  718   HG23  THR  90          2HG2      THR  90 -19.787   7.605  -1.185
  719    H    GLN  91           H        GLN  91 -21.587   4.211   1.449
  720    HA   GLN  91           HA       GLN  91 -22.592   2.182  -0.400
  721    HB2  GLN  91           2HB      GLN  91 -24.281   3.349   1.838
  722    HB3  GLN  91           1HB      GLN  91 -24.181   1.683   1.261
  723    HG2  GLN  91           2HG      GLN  91 -22.172   3.170   3.002
  724    HG3  GLN  91           1HG      GLN  91 -23.103   1.735   3.428
  725   HE21  GLN  91          1HE2      GLN  91 -22.502  -0.312   2.129
  726   HE22  GLN  91          2HE2      GLN  91 -20.909  -0.468   1.578
  727    H    LYS  92           H        LYS  92 -24.048   2.538  -1.960
  728    HA   LYS  92           HA       LYS  92 -24.567   5.178  -2.861
  729    HB2  LYS  92           2HB      LYS  92 -24.417   3.144  -4.340
  730    HB3  LYS  92           1HB      LYS  92 -25.961   2.597  -3.692
  731    HG2  LYS  92           2HG      LYS  92 -27.059   4.652  -4.505
  732    HG3  LYS  92           1HG      LYS  92 -25.514   5.256  -5.106
  733    HD2  LYS  92           2HD      LYS  92 -25.367   3.320  -6.643
  734    HD3  LYS  92           1HD      LYS  92 -26.921   2.737  -6.046
  735    HE2  LYS  92           2HE      LYS  92 -27.215   3.997  -8.147
  736    HE3  LYS  92           1HE      LYS  92 -27.999   4.835  -6.808
  737    HZ1  LYS  92           3HZ      LYS  92 -25.238   5.556  -7.144
  738    HZ2  LYS  92           1HZ      LYS  92 -26.604   6.549  -6.982
  739    HZ3  LYS  92           2HZ      LYS  92 -26.186   5.926  -8.504
  740    H    LEU  93           H        LEU  93 -26.337   6.453  -2.589
  741    HA   LEU  93           HA       LEU  93 -28.850   5.477  -1.646
  742    HB2  LEU  93           2HB      LEU  93 -27.272   5.534   0.443
  743    HB3  LEU  93           1HB      LEU  93 -27.394   7.280   0.320
  744    HG   LEU  93           HG       LEU  93 -30.036   6.807   0.249
  745   HD11  LEU  93          1HD1      LEU  93 -28.995   4.334   1.689
  746   HD12  LEU  93          2HD1      LEU  93 -29.803   4.328   0.127
  747   HD13  LEU  93          3HD1      LEU  93 -30.682   4.827   1.567
  748   HD21  LEU  93          3HD2      LEU  93 -28.949   8.064   2.046
  749   HD22  LEU  93          1HD2      LEU  93 -28.391   6.568   2.794
  750   HD23  LEU  93          2HD2      LEU  93 -30.117   6.938   2.737
  751    H    GLU  94           H        GLU  94 -28.846   6.687  -3.784
  752    HA   GLU  94           HA       GLU  94 -29.779   9.454  -3.269
  753    HB2  GLU  94           2HB      GLU  94 -27.906   8.715  -5.556
  754    HB3  GLU  94           1HB      GLU  94 -28.580  10.306  -5.205
  755    HG2  GLU  94           2HG      GLU  94 -26.411  10.457  -4.241
  756    HG3  GLU  94           1HG      GLU  94 -27.409  10.052  -2.849
  757    H    HIS  95           H        HIS  95 -31.259  10.231  -4.769
  758    HA   HIS  95           HA       HIS  95 -33.102   8.312  -5.758
  759    HB2  HIS  95           2HB      HIS  95 -32.851  11.270  -6.408
  760    HB3  HIS  95           1HB      HIS  95 -34.269  10.262  -6.702
  761    HD2  HIS  95           2HD      HIS  95 -35.676   9.473  -4.313
  762    HE1  HIS  95           1HE      HIS  95 -33.601  12.126  -1.768
  763    HE2  HIS  95           2HE      HIS  95 -35.594  10.560  -1.941
  764    H    HIS  96           H        HIS  96 -33.776   8.093  -7.997
  765    HA   HIS  96           HA       HIS  96 -32.112   8.907 -10.181
  766    HB2  HIS  96           2HB      HIS  96 -31.291   6.605 -10.764
  767    HB3  HIS  96           1HB      HIS  96 -30.573   7.239  -9.283
  768    HD2  HIS  96           2HD      HIS  96 -32.457   4.118 -10.396
  769    HE1  HIS  96           1HE      HIS  96 -32.852   4.261  -6.195
  770    HE2  HIS  96           2HE      HIS  96 -33.171   2.808  -8.254
  771    H    HIS  97           H        HIS  97 -34.288   9.535 -10.750
  772    HA   HIS  97           HA       HIS  97 -36.359   7.596 -11.177
  773    HB2  HIS  97           2HB      HIS  97 -36.816  10.019 -10.843
  774    HB3  HIS  97           1HB      HIS  97 -36.030  10.371 -12.380
  775    HD2  HIS  97           2HD      HIS  97 -37.721  10.142 -14.577
  776    HE1  HIS  97           1HE      HIS  97 -40.849   8.032 -12.683
  777    HE2  HIS  97           2HE      HIS  97 -40.121   9.148 -14.845
  778    H    HIS  98           H        HIS  98 -37.201   6.960 -13.256
  779    HA   HIS  98           HA       HIS  98 -35.634   7.271 -15.668
  780    HB2  HIS  98           2HB      HIS  98 -35.107   4.852 -15.912
  781    HB3  HIS  98           1HB      HIS  98 -34.270   5.574 -14.537
  782    HD2  HIS  98           2HD      HIS  98 -34.515   3.937 -12.343
  783    HE1  HIS  98           1HE      HIS  98 -38.326   2.330 -13.186
  784    HE2  HIS  98           2HE      HIS  98 -36.393   2.313 -11.539
  785    H    HIS  99           H        HIS  99 -36.630   6.200 -17.494
  786    HA   HIS  99           HA       HIS  99 -39.479   6.393 -17.459
  787    HB2  HIS  99           2HB      HIS  99 -37.623   5.170 -19.533
  788    HB3  HIS  99           1HB      HIS  99 -39.320   5.582 -19.791
  789    HD2  HIS  99           2HD      HIS  99 -35.883   7.290 -19.967
  790    HE1  HIS  99           1HE      HIS  99 -38.756  10.384 -20.007
  791    HE2  HIS  99           2HE      HIS  99 -36.300   9.839 -20.350
  792    H    HIS 100           H        HIS 100 -41.031   4.783 -17.591
  793    HA   HIS 100           HA       HIS 100 -40.431   1.983 -17.694
  794    HB2  HIS 100           2HB      HIS 100 -39.680   2.494 -15.366
  795    HB3  HIS 100           1HB      HIS 100 -41.292   3.099 -14.995
  796    HD2  HIS 100           2HD      HIS 100 -39.421  -0.281 -15.199
  797    HE1  HIS 100           1HE      HIS 100 -43.523  -1.190 -14.783
  798    HE2  HIS 100           2HE      HIS 100 -41.177  -2.164 -14.767
  Start of MODEL    8
    1    H1   LYS   1           1HT      LYS   1  32.827  -1.122   2.673
    2    H2   LYS   1           2HT      LYS   1  33.929  -1.350   1.399
    3    H3   LYS   1           3HT      LYS   1  34.169  -2.139   2.884
    4    HA   LYS   1           HA       LYS   1  32.865  -3.135   0.670
    5    HB2  LYS   1           2HB      LYS   1  32.875  -4.024   3.580
    6    HB3  LYS   1           1HB      LYS   1  32.404  -5.046   2.221
    7    HG2  LYS   1           2HG      LYS   1  34.653  -4.778   1.231
    8    HG3  LYS   1           1HG      LYS   1  35.129  -3.753   2.587
    9    HD2  LYS   1           2HD      LYS   1  34.695  -5.640   4.148
   10    HD3  LYS   1           1HD      LYS   1  34.268  -6.661   2.773
   11    HE2  LYS   1           2HE      LYS   1  36.961  -5.341   3.228
   12    HE3  LYS   1           1HE      LYS   1  36.602  -7.053   3.449
   13    HZ1  LYS   1           2HZ      LYS   1  35.731  -6.738   0.985
   14    HZ2  LYS   1           3HZ      LYS   1  37.349  -7.124   1.333
   15    HZ3  LYS   1           1HZ      LYS   1  36.915  -5.521   0.990
   16    H    ILE   2           H        ILE   2  30.672  -4.433   1.116
   17    HA   ILE   2           HA       ILE   2  28.585  -2.513   1.084
   18    HB   ILE   2           HB       ILE   2  28.344  -5.515   1.522
   19   HG12  ILE   2          2HG1      ILE   2  29.741  -5.123  -0.446
   20   HG13  ILE   2          1HG1      ILE   2  28.152  -5.660  -0.968
   21   HG21  ILE   2          1HG2      ILE   2  26.146  -5.204   0.376
   22   HG22  ILE   2          2HG2      ILE   2  26.422  -3.462   0.367
   23   HG23  ILE   2          3HG2      ILE   2  26.236  -4.318   1.898
   24   HD11  ILE   2          3HD1      ILE   2  28.628  -3.884  -2.432
   25   HD12  ILE   2          1HD1      ILE   2  29.385  -2.914  -1.177
   26   HD13  ILE   2          2HD1      ILE   2  27.631  -3.087  -1.220
   27    H    SER   3           H        SER   3  29.671  -4.812   3.571
   28    HA   SER   3           HA       SER   3  27.657  -4.331   5.462
   29    HB2  SER   3           2HB      SER   3  30.558  -5.043   5.951
   30    HB3  SER   3           1HB      SER   3  29.243  -5.235   7.109
   31    HG   SER   3           HG       SER   3  28.303  -6.730   5.748
   32    H    LEU   4           H        LEU   4  30.741  -2.694   4.927
   33    HA   LEU   4           HA       LEU   4  30.515  -0.891   7.153
   34    HB2  LEU   4           2HB      LEU   4  32.139  -0.556   4.601
   35    HB3  LEU   4           1HB      LEU   4  32.410   0.265   6.138
   36    HG   LEU   4           HG       LEU   4  32.654  -2.730   5.659
   37   HD11  LEU   4          1HD1      LEU   4  34.457  -1.414   4.607
   38   HD12  LEU   4          2HD1      LEU   4  35.074  -2.338   5.974
   39   HD13  LEU   4          3HD1      LEU   4  34.774  -0.609   6.144
   40   HD21  LEU   4          3HD2      LEU   4  33.802  -2.591   8.005
   41   HD22  LEU   4          1HD2      LEU   4  32.045  -2.517   7.959
   42   HD23  LEU   4          2HD2      LEU   4  32.982  -1.037   8.169
   43    H    ARG   5           H        ARG   5  29.885   1.263   7.174
   44    HA   ARG   5           HA       ARG   5  28.512   3.036   6.679
   45    HB2  ARG   5           2HB      ARG   5  29.483   2.464   3.863
   46    HB3  ARG   5           1HB      ARG   5  28.723   3.960   4.402
   47    HG2  ARG   5           2HG      ARG   5  30.554   4.332   6.008
   48    HG3  ARG   5           1HG      ARG   5  31.316   2.823   5.502
   49    HD2  ARG   5           2HD      ARG   5  32.401   4.680   4.351
   50    HD3  ARG   5           1HD      ARG   5  31.486   3.741   3.173
   51    HE   ARG   5           HE       ARG   5  29.863   5.834   4.200
   52   HH11  ARG   5          1HH2      ARG   5  32.611   5.269   2.149
   53   HH12  ARG   5          2HH2      ARG   5  32.332   6.670   1.171
   54   HH21  ARG   5          1HH1      ARG   5  29.508   7.664   2.915
   55   HH22  ARG   5          2HH1      ARG   5  30.579   8.022   1.603
   56    H    LYS   6           H        LYS   6  26.684   1.661   7.283
   57    HA   LYS   6           HA       LYS   6  25.136   0.219   5.383
   58    HB2  LYS   6           2HB      LYS   6  24.315   1.532   7.995
   59    HB3  LYS   6           1HB      LYS   6  23.331   0.375   7.095
   60    HG2  LYS   6           2HG      LYS   6  25.116  -1.320   7.322
   61    HG3  LYS   6           1HG      LYS   6  26.097  -0.168   8.230
   62    HD2  LYS   6           2HD      LYS   6  24.332  -0.036   9.965
   63    HD3  LYS   6           1HD      LYS   6  23.363  -1.200   9.059
   64    HE2  LYS   6           2HE      LYS   6  25.157  -2.883   9.291
   65    HE3  LYS   6           1HE      LYS   6  26.134  -1.721  10.189
   66    HZ1  LYS   6           3HZ      LYS   6  23.405  -2.451  11.056
   67    HZ2  LYS   6           1HZ      LYS   6  24.647  -1.731  11.962
   68    HZ3  LYS   6           2HZ      LYS   6  24.760  -3.367  11.517
   69    H    LEU   7           H        LEU   7  23.572   0.854   4.003
   70    HA   LEU   7           HA       LEU   7  22.906   3.756   3.794
   71    HB2  LEU   7           2HB      LEU   7  22.814   1.639   1.606
   72    HB3  LEU   7           1HB      LEU   7  22.609   3.381   1.414
   73    HG   LEU   7           HG       LEU   7  25.153   1.969   2.307
   74   HD11  LEU   7          1HD1      LEU   7  24.480   3.414  -0.278
   75   HD12  LEU   7          2HD1      LEU   7  24.623   1.665  -0.088
   76   HD13  LEU   7          3HD1      LEU   7  26.039   2.694   0.124
   77   HD21  LEU   7          3HD2      LEU   7  25.217   4.110   3.369
   78   HD22  LEU   7          1HD2      LEU   7  24.479   4.924   1.989
   79   HD23  LEU   7          2HD2      LEU   7  26.144   4.343   1.896
   80    H    SER   8           H        SER   8  20.805   4.325   3.462
   81    HA   SER   8           HA       SER   8  18.695   2.278   3.422
   82    HB2  SER   8           2HB      SER   8  17.546   3.215   5.355
   83    HB3  SER   8           1HB      SER   8  19.166   2.712   5.836
   84    HG   SER   8           HG       SER   8  19.717   4.747   6.111
   85    H    LYS   9           H        LYS   9  16.719   3.067   2.725
   86    HA   LYS   9           HA       LYS   9  16.441   5.873   1.922
   87    HB2  LYS   9           2HB      LYS   9  16.368   3.546  -0.027
   88    HB3  LYS   9           1HB      LYS   9  15.684   5.123  -0.407
   89    HG2  LYS   9           2HG      LYS   9  18.602   4.735   0.339
   90    HG3  LYS   9           1HG      LYS   9  18.022   4.691  -1.311
   91    HD2  LYS   9           2HD      LYS   9  17.168   7.010  -1.073
   92    HD3  LYS   9           1HD      LYS   9  17.798   7.076   0.569
   93    HE2  LYS   9           2HE      LYS   9  20.080   6.681  -0.271
   94    HE3  LYS   9           1HE      LYS   9  19.462   6.625  -1.920
   95    HZ1  LYS   9           3HZ      LYS   9  19.907   8.896  -0.188
   96    HZ2  LYS   9           1HZ      LYS   9  18.442   8.937  -1.042
   97    HZ3  LYS   9           2HZ      LYS   9  19.913   8.803  -1.883
   98    H    SER  10           H        SER  10  14.340   6.313   1.072
   99    HA   SER  10           HA       SER  10  12.218   4.705   2.424
  100    HB2  SER  10           2HB      SER  10  10.969   6.778   2.600
  101    HB3  SER  10           1HB      SER  10  12.573   7.017   3.294
  102    HG   SER  10           HG       SER  10  11.398   8.162   1.093
  103    H    VAL  11           H        VAL  11  10.586   3.966   1.250
  104    HA   VAL  11           HA       VAL  11  10.178   4.832  -1.565
  105    HB   VAL  11           HB       VAL  11   9.647   2.277  -1.942
  106   HG11  VAL  11          1HG1      VAL  11  11.512   3.460  -3.039
  107   HG12  VAL  11          2HG1      VAL  11  12.001   1.846  -2.554
  108   HG13  VAL  11          3HG1      VAL  11  12.510   3.237  -1.603
  109   HG21  VAL  11          3HG2      VAL  11   9.873   1.650   0.492
  110   HG22  VAL  11          1HG2      VAL  11  11.581   2.071   0.412
  111   HG23  VAL  11          2HG2      VAL  11  10.954   0.739  -0.551
  112    HA   PRO  12           HA       PRO  12   6.162   5.103   0.719
  113    HB2  PRO  12           2HB      PRO  12   5.395   6.398  -1.911
  114    HB3  PRO  12           1HB      PRO  12   5.023   6.934  -0.252
  115    HG2  PRO  12           2HG      PRO  12   6.908   8.188  -1.624
  116    HG3  PRO  12           1HG      PRO  12   7.199   7.776   0.084
  117    HD2  PRO  12           2HD      PRO  12   8.223   6.329  -2.386
  118    HD3  PRO  12           1HD      PRO  12   9.092   6.769  -0.891
  119    H    VAL  13           H        VAL  13   4.296   3.887   0.530
  120    HA   VAL  13           HA       VAL  13   4.353   1.692  -1.408
  121    HB   VAL  13           HB       VAL  13   2.317   2.199   0.811
  122   HG11  VAL  13          1HG1      VAL  13   3.236  -0.347  -0.579
  123   HG12  VAL  13          2HG1      VAL  13   1.730   0.498  -0.923
  124   HG13  VAL  13          3HG1      VAL  13   1.984  -0.235   0.659
  125   HG21  VAL  13          3HG2      VAL  13   3.724   0.695   2.206
  126   HG22  VAL  13          1HG2      VAL  13   4.589   2.172   1.788
  127   HG23  VAL  13          2HG2      VAL  13   4.949   0.674   0.937
  128    H    LYS  14           H        LYS  14   3.024   1.552  -3.153
  129    HA   LYS  14           HA       LYS  14   0.973   3.680  -3.591
  130    HB2  LYS  14           2HB      LYS  14   2.978   3.654  -5.120
  131    HB3  LYS  14           1HB      LYS  14   2.487   2.058  -5.674
  132    HG2  LYS  14           2HG      LYS  14   0.328   2.986  -6.449
  133    HG3  LYS  14           1HG      LYS  14   0.802   4.582  -5.864
  134    HD2  LYS  14           2HD      LYS  14   2.759   4.547  -7.416
  135    HD3  LYS  14           1HD      LYS  14   2.215   2.984  -8.029
  136    HE2  LYS  14           2HE      LYS  14   0.674   5.594  -8.172
  137    HE3  LYS  14           1HE      LYS  14   1.462   4.779  -9.521
  138    HZ1  LYS  14           3HZ      LYS  14  -0.729   4.097  -9.682
  139    HZ2  LYS  14           1HZ      LYS  14  -0.929   3.954  -8.003
  140    HZ3  LYS  14           2HZ      LYS  14  -0.005   2.806  -8.847
  141    H    LEU  15           H        LEU  15  -1.046   2.962  -3.578
  142    HA   LEU  15           HA       LEU  15  -1.653   0.070  -3.776
  143    HB2  LEU  15           2HB      LEU  15  -3.115   2.494  -2.693
  144    HB3  LEU  15           1HB      LEU  15  -4.031   1.046  -3.107
  145    HG   LEU  15           HG       LEU  15  -2.599  -0.278  -1.553
  146   HD11  LEU  15          1HD1      LEU  15  -1.151   0.990   0.069
  147   HD12  LEU  15          2HD1      LEU  15  -1.378   2.435  -0.919
  148   HD13  LEU  15          3HD1      LEU  15  -0.550   1.030  -1.582
  149   HD21  LEU  15          3HD2      LEU  15  -4.726   0.681  -0.769
  150   HD22  LEU  15          1HD2      LEU  15  -3.902   2.181  -0.326
  151   HD23  LEU  15          2HD2      LEU  15  -3.531   0.685   0.526
  152    H    GLU  16           H        GLU  16  -2.624  -0.778  -5.488
  153    HA   GLU  16           HA       GLU  16  -3.794   0.994  -7.600
  154    HB2  GLU  16           2HB      GLU  16  -1.636  -0.096  -8.249
  155    HB3  GLU  16           1HB      GLU  16  -2.370  -1.671  -7.966
  156    HG2  GLU  16           2HG      GLU  16  -4.070  -1.205  -9.701
  157    HG3  GLU  16           1HG      GLU  16  -3.380   0.396  -9.955
  158    H    LEU  17           H        LEU  17  -5.940   0.810  -7.311
  159    HA   LEU  17           HA       LEU  17  -7.260  -1.454  -6.197
  160    HB2  LEU  17           2HB      LEU  17  -9.321  -0.279  -6.834
  161    HB3  LEU  17           1HB      LEU  17  -8.182   0.790  -6.029
  162    HG   LEU  17           HG       LEU  17  -7.467   1.122  -8.750
  163   HD11  LEU  17          1HD1      LEU  17  -9.531  -0.195  -9.364
  164   HD12  LEU  17          2HD1      LEU  17  -9.468   1.432 -10.042
  165   HD13  LEU  17          3HD1      LEU  17 -10.501   1.092  -8.653
  166   HD21  LEU  17          3HD2      LEU  17  -9.473   2.799  -7.196
  167   HD22  LEU  17          1HD2      LEU  17  -8.536   3.330  -8.593
  168   HD23  LEU  17          2HD2      LEU  17  -7.719   2.941  -7.080
  169    H    THR  18           H        THR  18  -7.952  -3.269  -7.140
  170    HA   THR  18           HA       THR  18  -8.208  -3.448 -10.105
  171    HB   THR  18           HB       THR  18  -7.233  -5.714  -9.987
  172    HG1  THR  18           1HG      THR  18  -7.154  -6.585  -8.101
  173   HG21  THR  18          3HG2      THR  18  -4.896  -5.045  -9.583
  174   HG22  THR  18          1HG2      THR  18  -5.453  -3.585  -8.766
  175   HG23  THR  18          2HG2      THR  18  -5.760  -3.804 -10.489
  176    H    GLY  19           H        GLY  19  -9.878  -4.635 -10.832
  177    HA2  GLY  19           2HA      GLY  19 -11.538  -6.409 -10.557
  178    HA3  GLY  19           1HA      GLY  19 -11.730  -5.937  -8.869
  179    H    ASP  20           H        ASP  20 -13.965  -6.110 -10.362
  180    HA   ASP  20           HA       ASP  20 -14.704  -3.488 -11.465
  181    HB2  ASP  20           2HB      ASP  20 -16.296  -6.036 -11.032
  182    HB3  ASP  20           1HB      ASP  20 -16.889  -4.601 -11.864
  183    H    LYS  21           H        LYS  21 -15.846  -1.946 -10.368
  184    HA   LYS  21           HA       LYS  21 -16.080  -2.033  -7.536
  185    HB2  LYS  21           2HB      LYS  21 -17.356  -0.182  -9.582
  186    HB3  LYS  21           1HB      LYS  21 -17.350   0.103  -7.843
  187    HG2  LYS  21           2HG      LYS  21 -14.883   0.130  -7.846
  188    HG3  LYS  21           1HG      LYS  21 -14.873  -0.169  -9.583
  189    HD2  LYS  21           2HD      LYS  21 -16.108   1.959  -9.939
  190    HD3  LYS  21           1HD      LYS  21 -16.069   2.260  -8.201
  191    HE2  LYS  21           2HE      LYS  21 -13.646   1.984 -10.011
  192    HE3  LYS  21           1HE      LYS  21 -14.253   3.488  -9.316
  193    HZ1  LYS  21           3HZ      LYS  21 -12.685   1.404  -8.100
  194    HZ2  LYS  21           1HZ      LYS  21 -14.013   1.883  -7.158
  195    HZ3  LYS  21           2HZ      LYS  21 -12.863   3.034  -7.650
  196    H    ALA  22           H        ALA  22 -17.792  -2.560  -6.223
  197    HA   ALA  22           HA       ALA  22 -19.806  -4.292  -7.190
  198    HB1  ALA  22           1HB      ALA  22 -19.026  -4.344  -4.856
  199    HB2  ALA  22           2HB      ALA  22 -20.776  -4.153  -4.935
  200    HB3  ALA  22           3HB      ALA  22 -19.754  -2.769  -4.566
  201    H    SER  23           H        SER  23 -22.195  -3.888  -6.615
  202    HA   SER  23           HA       SER  23 -23.067  -1.587  -8.204
  203    HB2  SER  23           2HB      SER  23 -24.088  -3.803  -8.542
  204    HB3  SER  23           1HB      SER  23 -24.690  -3.780  -6.886
  205    HG   SER  23           HG       SER  23 -25.318  -1.998  -9.010
  206    H    ASN  24           H        ASN  24 -22.859  -2.462  -4.834
  207    HA   ASN  24           HA       ASN  24 -24.783  -0.425  -3.966
  208    HB2  ASN  24           2HB      ASN  24 -24.378  -1.261  -1.734
  209    HB3  ASN  24           1HB      ASN  24 -24.560  -2.644  -2.811
  210   HD21  ASN  24          1HD2      ASN  24 -22.247  -0.829  -0.836
  211   HD22  ASN  24          2HD2      ASN  24 -20.996  -1.973  -0.925
  212    H    VAL  25           H        VAL  25 -21.434  -0.540  -4.700
  213    HA   VAL  25           HA       VAL  25 -20.780   1.717  -2.897
  214    HB   VAL  25           HB       VAL  25 -19.344  -0.339  -2.941
  215   HG11  VAL  25          1HG1      VAL  25 -17.954  -0.890  -4.814
  216   HG12  VAL  25          2HG1      VAL  25 -18.290   0.634  -5.632
  217   HG13  VAL  25          3HG1      VAL  25 -19.537  -0.596  -5.522
  218   HG21  VAL  25          3HG2      VAL  25 -18.463   1.855  -2.179
  219   HG22  VAL  25          1HG2      VAL  25 -17.967   2.225  -3.830
  220   HG23  VAL  25          2HG2      VAL  25 -17.217   0.892  -2.961
  221    H    SER  26           H        SER  26 -20.662   3.723  -3.613
  222    HA   SER  26           HA       SER  26 -20.811   4.323  -6.494
  223    HB2  SER  26           2HB      SER  26 -22.316   5.480  -4.935
  224    HB3  SER  26           1HB      SER  26 -20.929   6.143  -4.072
  225    HG   SER  26           HG       SER  26 -20.629   7.525  -5.650
  226    H    SER  27           H        SER  27 -18.614   4.569  -3.767
  227    HA   SER  27           HA       SER  27 -16.342   5.072  -5.511
  228    HB2  SER  27           2HB      SER  27 -17.185   7.360  -5.205
  229    HB3  SER  27           1HB      SER  27 -17.182   7.141  -3.458
  230    HG   SER  27           HG       SER  27 -14.806   6.457  -4.579
  231    H    ILE  28           H        ILE  28 -14.323   4.930  -4.381
  232    HA   ILE  28           HA       ILE  28 -14.414   3.639  -1.692
  233    HB   ILE  28           HB       ILE  28 -12.690   2.850  -4.072
  234   HG12  ILE  28          2HG1      ILE  28 -14.863   1.240  -2.660
  235   HG13  ILE  28          1HG1      ILE  28 -15.165   2.151  -4.137
  236   HG21  ILE  28          1HG2      ILE  28 -11.998   0.944  -2.528
  237   HG22  ILE  28          2HG2      ILE  28 -12.837   1.769  -1.219
  238   HG23  ILE  28          3HG2      ILE  28 -11.440   2.521  -1.982
  239   HD11  ILE  28          3HD1      ILE  28 -14.693  -0.205  -4.648
  240   HD12  ILE  28          1HD1      ILE  28 -13.140  -0.076  -3.826
  241   HD13  ILE  28          2HD1      ILE  28 -13.431   0.841  -5.302
  242    H    SER  29           H        SER  29 -12.954   4.374  -0.271
  243    HA   SER  29           HA       SER  29 -10.717   6.138  -1.159
  244    HB2  SER  29           2HB      SER  29 -12.524   7.549  -0.252
  245    HB3  SER  29           1HB      SER  29 -12.551   6.582   1.218
  246    HG   SER  29           HG       SER  29 -11.146   8.654   0.919
  247    H    TYR  30           H        TYR  30  -8.903   6.096   0.213
  248    HA   TYR  30           HA       TYR  30  -8.801   4.113   2.391
  249    HB2  TYR  30           2HB      TYR  30  -6.830   3.000   1.406
  250    HB3  TYR  30           1HB      TYR  30  -8.252   2.810   0.381
  251    HD1  TYR  30           2HD      TYR  30  -5.002   4.576   0.753
  252    HD2  TYR  30           1HD      TYR  30  -8.401   3.929  -1.807
  253    HE1  TYR  30           2HE      TYR  30  -3.800   5.657  -1.125
  254    HE2  TYR  30           1HE      TYR  30  -7.191   5.015  -3.678
  255    HH   TYR  30           HH       TYR  30  -5.180   6.848  -3.749
  256    H    SER  31           H        SER  31  -6.960   4.306   3.712
  257    HA   SER  31           HA       SER  31  -5.179   6.631   3.351
  258    HB2  SER  31           2HB      SER  31  -6.926   6.246   5.803
  259    HB3  SER  31           1HB      SER  31  -5.695   7.488   5.592
  260    HG   SER  31           HG       SER  31  -6.935   8.486   4.133
  261    H    PHE  32           H        PHE  32  -3.406   6.617   4.849
  262    HA   PHE  32           HA       PHE  32  -2.834   4.060   6.237
  263    HB2  PHE  32           2HB      PHE  32  -0.530   4.108   5.165
  264    HB3  PHE  32           1HB      PHE  32  -1.843   3.724   4.054
  265    HD1  PHE  32           1HD      PHE  32   0.360   6.510   5.247
  266    HD2  PHE  32           2HD      PHE  32  -2.329   5.178   2.161
  267    HE1  PHE  32           1HE      PHE  32   0.991   8.452   3.851
  268    HE2  PHE  32           2HE      PHE  32  -1.688   7.126   0.774
  269    HZ   PHE  32           HZ       PHE  32  -0.031   8.762   1.616
  270    H    ASP  33           H        ASP  33  -1.538   4.279   8.010
  271    HA   ASP  33           HA       ASP  33  -1.318   6.884   9.199
  272    HB2  ASP  33           2HB      ASP  33  -0.189   4.193  10.037
  273    HB3  ASP  33           1HB      ASP  33  -0.167   5.645  11.038
  274    H    ARG  34           H        ARG  34   0.930   4.707   7.522
  275    HA   ARG  34           HA       ARG  34   3.069   6.807   7.648
  276    HB2  ARG  34           2HB      ARG  34   3.366   3.783   7.759
  277    HB3  ARG  34           1HB      ARG  34   4.701   4.935   7.670
  278    HG2  ARG  34           2HG      ARG  34   4.015   5.924   9.816
  279    HG3  ARG  34           1HG      ARG  34   2.651   4.809   9.907
  280    HD2  ARG  34           2HD      ARG  34   4.220   2.894   9.918
  281    HD3  ARG  34           1HD      ARG  34   5.582   4.012   9.842
  282    HE   ARG  34           HE       ARG  34   4.012   4.734  12.052
  283   HH11  ARG  34          1HH2      ARG  34   5.967   2.074  10.956
  284   HH12  ARG  34          2HH2      ARG  34   6.410   1.575  12.553
  285   HH21  ARG  34          1HH1      ARG  34   4.596   4.072  14.131
  286   HH22  ARG  34          2HH1      ARG  34   5.636   2.703  14.346
  287    H    GLY  35           H        GLY  35   2.104   3.823   5.968
  288    HA2  GLY  35           2HA      GLY  35   2.116   3.235   3.748
  289    HA3  GLY  35           1HA      GLY  35   1.861   4.941   3.413
  290    H    HIS  36           H        HIS  36   4.701   4.008   5.181
  291    HA   HIS  36           HA       HIS  36   6.436   3.883   2.822
  292    HB2  HIS  36           2HB      HIS  36   7.882   5.718   3.629
  293    HB3  HIS  36           1HB      HIS  36   6.266   6.309   3.250
  294    HD2  HIS  36           2HD      HIS  36   8.276   5.311   6.540
  295    HE1  HIS  36           1HE      HIS  36   5.214   8.027   7.573
  296    HE2  HIS  36           2HE      HIS  36   7.195   6.710   8.460
  297    H    VAL  37           H        VAL  37   8.224   2.683   3.203
  298    HA   VAL  37           HA       VAL  37   8.877   1.843   5.991
  299    HB   VAL  37           HB       VAL  37   7.682   0.001   4.963
  300   HG11  VAL  37          1HG1      VAL  37   8.400  -1.003   2.827
  301   HG12  VAL  37          2HG1      VAL  37   9.628   0.250   2.652
  302   HG13  VAL  37          3HG1      VAL  37   7.919   0.679   2.607
  303   HG21  VAL  37          3HG2      VAL  37  10.637  -0.696   4.714
  304   HG22  VAL  37          1HG2      VAL  37   9.312  -1.768   5.147
  305   HG23  VAL  37          2HG2      VAL  37   9.818  -0.509   6.267
  306    H    THR  38           H        THR  38  11.032   0.992   6.167
  307    HA   THR  38           HA       THR  38  12.965   2.566   4.544
  308    HB   THR  38           HB       THR  38  13.353   1.149   7.213
  309    HG1  THR  38           1HG      THR  38  12.036   2.795   7.656
  310   HG21  THR  38          3HG2      THR  38  15.368   2.598   7.342
  311   HG22  THR  38          1HG2      THR  38  15.037   3.190   5.716
  312   HG23  THR  38          2HG2      THR  38  15.457   1.496   5.970
  313    H    ILE  39           H        ILE  39  14.363   1.543   3.232
  314    HA   ILE  39           HA       ILE  39  14.516  -1.436   3.230
  315    HB   ILE  39           HB       ILE  39  15.171  -1.045   0.752
  316   HG12  ILE  39          2HG1      ILE  39  13.869   1.663   1.258
  317   HG13  ILE  39          1HG1      ILE  39  15.600   1.442   1.060
  318   HG21  ILE  39          1HG2      ILE  39  12.810  -0.855   0.032
  319   HG22  ILE  39          2HG2      ILE  39  12.368  -0.293   1.642
  320   HG23  ILE  39          3HG2      ILE  39  12.983  -1.924   1.412
  321   HD11  ILE  39          3HD1      ILE  39  13.464   0.812  -0.982
  322   HD12  ILE  39          1HD1      ILE  39  15.171   0.447  -1.194
  323   HD13  ILE  39          2HD1      ILE  39  14.636   2.122  -1.064
  324    H    VAL  40           H        VAL  40  16.454  -2.340   3.431
  325    HA   VAL  40           HA       VAL  40  18.918  -0.629   3.326
  326    HB   VAL  40           HB       VAL  40  18.329  -2.920   5.238
  327   HG11  VAL  40          1HG1      VAL  40  20.726  -2.761   4.717
  328   HG12  VAL  40          2HG1      VAL  40  20.445  -2.141   6.338
  329   HG13  VAL  40          3HG1      VAL  40  20.695  -1.021   4.999
  330   HG21  VAL  40          3HG2      VAL  40  17.010  -0.901   5.767
  331   HG22  VAL  40          1HG2      VAL  40  18.473   0.081   5.703
  332   HG23  VAL  40          2HG2      VAL  40  18.280  -1.137   6.964
  333    H    GLY  41           H        GLY  41  20.512  -1.390   2.060
  334    HA2  GLY  41           2HA      GLY  41  21.358  -3.953   1.565
  335    HA3  GLY  41           1HA      GLY  41  20.064  -3.717   0.394
  336    H    SER  42           H        SER  42  21.572  -3.884  -1.317
  337    HA   SER  42           HA       SER  42  23.848  -2.157  -1.603
  338    HB2  SER  42           2HB      SER  42  22.280  -3.696  -3.695
  339    HB3  SER  42           1HB      SER  42  23.866  -2.963  -3.935
  340    HG   SER  42           HG       SER  42  24.760  -4.482  -2.730
  341    H    GLN  43           H        GLN  43  24.057  -0.255  -2.804
  342    HA   GLN  43           HA       GLN  43  21.851   1.506  -2.827
  343    HB2  GLN  43           2HB      GLN  43  24.243   2.202  -2.669
  344    HB3  GLN  43           1HB      GLN  43  24.465   1.743  -4.353
  345    HG2  GLN  43           2HG      GLN  43  24.101   4.152  -4.235
  346    HG3  GLN  43           1HG      GLN  43  22.698   3.421  -4.993
  347   HE21  GLN  43          1HE2      GLN  43  21.006   4.792  -4.306
  348   HE22  GLN  43          2HE2      GLN  43  20.675   5.150  -2.681
  349    H    GLU  44           H        GLU  44  23.258  -0.562  -5.317
  350    HA   GLU  44           HA       GLU  44  21.960   0.521  -7.568
  351    HB2  GLU  44           2HB      GLU  44  22.805  -2.343  -7.014
  352    HB3  GLU  44           1HB      GLU  44  22.372  -1.708  -8.603
  353    HG2  GLU  44           2HG      GLU  44  24.208  -0.068  -8.457
  354    HG3  GLU  44           1HG      GLU  44  24.641  -0.682  -6.865
  355    H    ALA  45           H        ALA  45  20.916  -1.970  -5.264
  356    HA   ALA  45           HA       ALA  45  18.532  -2.707  -6.606
  357    HB1  ALA  45           1HB      ALA  45  17.873  -3.708  -4.480
  358    HB2  ALA  45           2HB      ALA  45  19.118  -2.790  -3.629
  359    HB3  ALA  45           3HB      ALA  45  19.578  -4.035  -4.790
  360    H    MET  46           H        MET  46  19.254  -0.179  -4.239
  361    HA   MET  46           HA       MET  46  16.575   0.629  -3.729
  362    HB2  MET  46           2HB      MET  46  19.167   2.206  -3.566
  363    HB3  MET  46           1HB      MET  46  17.622   2.733  -2.897
  364    HG2  MET  46           2HG      MET  46  17.566   0.721  -1.457
  365    HG3  MET  46           1HG      MET  46  19.116   0.213  -2.111
  366    HE1  MET  46           3HE      MET  46  20.282   1.215   1.357
  367    HE2  MET  46           1HE      MET  46  20.260   0.012   0.062
  368    HE3  MET  46           2HE      MET  46  18.778   0.404   0.928
  369    H    ASP  47           H        ASP  47  18.975   1.631  -6.148
  370    HA   ASP  47           HA       ASP  47  17.540   3.812  -7.215
  371    HB2  ASP  47           2HB      ASP  47  19.530   1.985  -8.593
  372    HB3  ASP  47           1HB      ASP  47  19.046   3.590  -9.141
  373    H    LYS  48           H        LYS  48  17.273   0.326  -7.803
  374    HA   LYS  48           HA       LYS  48  15.718   0.565 -10.219
  375    HB2  LYS  48           2HB      LYS  48  16.190  -1.713  -8.263
  376    HB3  LYS  48           1HB      LYS  48  15.293  -1.880  -9.773
  377    HG2  LYS  48           2HG      LYS  48  17.261  -1.246 -11.079
  378    HG3  LYS  48           1HG      LYS  48  18.170  -0.898  -9.610
  379    HD2  LYS  48           2HD      LYS  48  18.826  -3.093 -10.461
  380    HD3  LYS  48           1HD      LYS  48  17.970  -3.288  -8.934
  381    HE2  LYS  48           2HE      LYS  48  16.370  -3.468 -11.502
  382    HE3  LYS  48           1HE      LYS  48  17.344  -4.849 -11.003
  383    HZ1  LYS  48           3HZ      LYS  48  16.091  -4.057  -8.717
  384    HZ2  LYS  48           1HZ      LYS  48  15.663  -5.378  -9.692
  385    HZ3  LYS  48           2HZ      LYS  48  14.896  -3.876  -9.910
  386    H    ILE  49           H        ILE  49  15.034   0.106  -6.766
  387    HA   ILE  49           HA       ILE  49  12.144  -0.078  -7.189
  388    HB   ILE  49           HB       ILE  49  13.699   0.153  -4.572
  389   HG12  ILE  49          2HG1      ILE  49  12.724  -2.391  -5.969
  390   HG13  ILE  49          1HG1      ILE  49  14.390  -1.839  -6.027
  391   HG21  ILE  49          1HG2      ILE  49  11.218   0.612  -4.458
  392   HG22  ILE  49          2HG2      ILE  49  11.672  -0.845  -3.586
  393   HG23  ILE  49          3HG2      ILE  49  10.926  -0.967  -5.178
  394   HD11  ILE  49          3HD1      ILE  49  14.127  -3.519  -4.270
  395   HD12  ILE  49          1HD1      ILE  49  12.865  -2.553  -3.505
  396   HD13  ILE  49          2HD1      ILE  49  14.523  -1.953  -3.559
  397    H    ASP  50           H        ASP  50  10.957   1.703  -7.511
  398    HA   ASP  50           HA       ASP  50  11.779   4.332  -6.342
  399    HB2  ASP  50           2HB      ASP  50  10.120   3.734  -8.812
  400    HB3  ASP  50           1HB      ASP  50  10.538   5.340  -8.213
  401    H    SER  51           H        SER  51   9.371   1.871  -6.408
  402    HA   SER  51           HA       SER  51   7.833   3.044  -4.314
  403    HB2  SER  51           2HB      SER  51   5.715   3.406  -5.588
  404    HB3  SER  51           1HB      SER  51   6.979   4.516  -6.097
  405    HG   SER  51           HG       SER  51   7.152   3.487  -7.965
  406    H    ILE  52           H        ILE  52   6.785   1.389  -3.280
  407    HA   ILE  52           HA       ILE  52   6.841  -1.295  -4.457
  408    HB   ILE  52           HB       ILE  52   5.698  -0.380  -1.782
  409   HG12  ILE  52          2HG1      ILE  52   8.047   0.291  -1.902
  410   HG13  ILE  52          1HG1      ILE  52   7.883  -1.080  -0.816
  411   HG21  ILE  52          1HG2      ILE  52   6.106  -2.756  -1.138
  412   HG22  ILE  52          2HG2      ILE  52   6.600  -3.100  -2.795
  413   HG23  ILE  52          3HG2      ILE  52   4.942  -2.614  -2.452
  414   HD11  ILE  52          3HD1      ILE  52   8.533  -2.531  -2.906
  415   HD12  ILE  52          1HD1      ILE  52   9.791  -1.604  -2.092
  416   HD13  ILE  52          2HD1      ILE  52   9.083  -1.001  -3.583
  417    H    THR  53           H        THR  53   5.168  -2.142  -5.596
  418    HA   THR  53           HA       THR  53   2.550  -0.776  -5.622
  419    HB   THR  53           HB       THR  53   3.534  -3.136  -7.294
  420    HG1  THR  53           1HG      THR  53   3.328  -0.503  -8.220
  421   HG21  THR  53          3HG2      THR  53   1.708  -2.469  -8.808
  422   HG22  THR  53          1HG2      THR  53   1.266  -1.156  -7.718
  423   HG23  THR  53          2HG2      THR  53   1.059  -2.832  -7.211
  424    H    VAL  54           H        VAL  54   0.872  -1.548  -4.431
  425    HA   VAL  54           HA       VAL  54   0.845  -4.382  -3.518
  426    HB   VAL  54           HB       VAL  54   0.134  -1.924  -1.866
  427   HG11  VAL  54          1HG1      VAL  54   0.028  -3.587   0.001
  428   HG12  VAL  54          2HG1      VAL  54   0.286  -4.884  -1.165
  429   HG13  VAL  54          3HG1      VAL  54  -1.181  -3.909  -1.240
  430   HG21  VAL  54          3HG2      VAL  54   2.153  -2.514  -0.540
  431   HG22  VAL  54          1HG2      VAL  54   2.568  -2.081  -2.196
  432   HG23  VAL  54          2HG2      VAL  54   2.544  -3.776  -1.706
  433    HA   PRO  55           HA       PRO  55  -3.251  -3.089  -5.325
  434    HB2  PRO  55           2HB      PRO  55  -3.806  -5.207  -6.897
  435    HB3  PRO  55           1HB      PRO  55  -2.547  -4.042  -7.372
  436    HG2  PRO  55           2HG      PRO  55  -2.213  -6.727  -6.046
  437    HG3  PRO  55           1HG      PRO  55  -1.324  -6.052  -7.430
  438    HD2  PRO  55           2HD      PRO  55  -0.367  -5.964  -4.813
  439    HD3  PRO  55           1HD      PRO  55   0.100  -4.775  -6.049
  440    H    VAL  56           H        VAL  56  -5.288  -3.551  -4.589
  441    HA   VAL  56           HA       VAL  56  -5.705  -5.942  -2.856
  442    HB   VAL  56           HB       VAL  56  -6.611  -3.089  -2.304
  443   HG11  VAL  56          1HG1      VAL  56  -7.293  -4.110  -0.082
  444   HG12  VAL  56          2HG1      VAL  56  -6.984  -5.700  -0.769
  445   HG13  VAL  56          3HG1      VAL  56  -8.256  -4.680  -1.443
  446   HG21  VAL  56          3HG2      VAL  56  -5.033  -3.225  -0.403
  447   HG22  VAL  56          1HG2      VAL  56  -4.189  -3.404  -1.939
  448   HG23  VAL  56          2HG2      VAL  56  -4.515  -4.821  -0.939
  449    H    ASP  57           H        ASP  57  -7.455  -7.063  -3.375
  450    HA   ASP  57           HA       ASP  57  -9.168  -6.347  -5.555
  451    HB2  ASP  57           2HB      ASP  57  -8.647  -8.690  -4.963
  452    HB3  ASP  57           1HB      ASP  57  -9.506  -8.502  -3.439
  453    H    ILE  58           H        ILE  58 -10.926  -5.059  -5.501
  454    HA   ILE  58           HA       ILE  58 -12.104  -4.243  -2.911
  455    HB   ILE  58           HB       ILE  58 -13.170  -2.437  -4.318
  456   HG12  ILE  58          2HG1      ILE  58 -11.305  -3.452  -6.516
  457   HG13  ILE  58          1HG1      ILE  58 -13.034  -3.767  -6.505
  458   HG21  ILE  58          1HG2      ILE  58 -11.049  -2.046  -3.105
  459   HG22  ILE  58          2HG2      ILE  58 -11.084  -1.146  -4.618
  460   HG23  ILE  58          3HG2      ILE  58 -10.145  -2.631  -4.500
  461   HD11  ILE  58          3HD1      ILE  58 -13.465  -1.321  -6.488
  462   HD12  ILE  58          1HD1      ILE  58 -12.566  -1.834  -7.916
  463   HD13  ILE  58          2HD1      ILE  58 -11.727  -1.031  -6.588
  464    H    SER  59           H        SER  59 -12.673  -6.303  -5.553
  465    HA   SER  59           HA       SER  59 -15.449  -6.111  -5.891
  466    HB2  SER  59           2HB      SER  59 -13.703  -8.571  -6.143
  467    HB3  SER  59           1HB      SER  59 -15.304  -8.363  -6.848
  468    HG   SER  59           HG       SER  59 -14.414  -6.522  -7.961
  469    H    GLN  60           H        GLN  60 -13.557  -7.959  -3.525
  470    HA   GLN  60           HA       GLN  60 -15.931  -9.214  -2.353
  471    HB2  GLN  60           2HB      GLN  60 -13.002  -9.238  -1.547
  472    HB3  GLN  60           1HB      GLN  60 -14.268 -10.205  -0.787
  473    HG2  GLN  60           2HG      GLN  60 -14.722 -11.321  -2.936
  474    HG3  GLN  60           1HG      GLN  60 -13.476 -10.350  -3.715
  475   HE21  GLN  60          1HE2      GLN  60 -12.759 -12.807  -4.096
  476   HE22  GLN  60          2HE2      GLN  60 -11.676 -13.421  -2.941
  477    H    VAL  61           H        VAL  61 -14.518  -6.187  -2.163
  478    HA   VAL  61           HA       VAL  61 -14.998  -5.764   0.725
  479    HB   VAL  61           HB       VAL  61 -13.947  -3.861  -1.398
  480   HG11  VAL  61          1HG1      VAL  61 -13.114  -2.585   0.602
  481   HG12  VAL  61          2HG1      VAL  61 -14.004  -3.700   1.639
  482   HG13  VAL  61          3HG1      VAL  61 -14.873  -2.653   0.522
  483   HG21  VAL  61          3HG2      VAL  61 -12.458  -5.820  -1.064
  484   HG22  VAL  61          1HG2      VAL  61 -12.475  -5.528   0.677
  485   HG23  VAL  61          2HG2      VAL  61 -11.729  -4.356  -0.409
  486    H    THR  62           H        THR  62 -17.061  -5.396   1.258
  487    HA   THR  62           HA       THR  62 -18.708  -3.500  -0.365
  488    HB   THR  62           HB       THR  62 -20.666  -4.867   0.147
  489    HG1  THR  62           1HG      THR  62 -18.876  -6.756   1.250
  490   HG21  THR  62          3HG2      THR  62 -20.119  -6.839  -1.222
  491   HG22  THR  62          1HG2      THR  62 -18.398  -6.539  -0.981
  492   HG23  THR  62          2HG2      THR  62 -19.372  -5.391  -1.900
  493    H    GLU  63           H        GLU  63 -17.110  -3.893   2.453
  494    HA   GLU  63           HA       GLU  63 -18.760  -1.918   3.860
  495    HB2  GLU  63           2HB      GLU  63 -18.830  -3.295   5.932
  496    HB3  GLU  63           1HB      GLU  63 -19.743  -4.027   4.615
  497    HG2  GLU  63           2HG      GLU  63 -17.811  -5.503   4.105
  498    HG3  GLU  63           1HG      GLU  63 -16.919  -4.795   5.449
  499    H    ASP  64           H        ASP  64 -17.662  -1.081   5.793
  500    HA   ASP  64           HA       ASP  64 -14.950  -0.447   5.259
  501    HB2  ASP  64           2HB      ASP  64 -16.488   1.020   6.534
  502    HB3  ASP  64           1HB      ASP  64 -16.506  -0.150   7.851
  503    H    THR  65           H        THR  65 -13.083  -1.311   5.983
  504    HA   THR  65           HA       THR  65 -12.863  -3.083   8.239
  505    HB   THR  65           HB       THR  65 -13.839  -4.731   6.747
  506    HG1  THR  65           1HG      THR  65 -11.658  -5.913   6.336
  507   HG21  THR  65          3HG2      THR  65 -12.846  -5.244   4.557
  508   HG22  THR  65          1HG2      THR  65 -11.674  -3.945   4.767
  509   HG23  THR  65          2HG2      THR  65 -13.389  -3.568   4.608
  510    H    SER  66           H        SER  66 -10.608  -4.236   8.096
  511    HA   SER  66           HA       SER  66  -8.561  -2.638   6.711
  512    HB2  SER  66           2HB      SER  66  -7.375  -2.106   8.778
  513    HB3  SER  66           1HB      SER  66  -9.005  -1.441   8.858
  514    HG   SER  66           HG       SER  66  -8.312  -3.998   9.870
  515    H    LYS  67           H        LYS  67  -6.668  -3.744   6.418
  516    HA   LYS  67           HA       LYS  67  -6.302  -6.398   7.701
  517    HB2  LYS  67           2HB      LYS  67  -7.580  -6.670   5.543
  518    HB3  LYS  67           1HB      LYS  67  -6.186  -6.036   4.681
  519    HG2  LYS  67           2HG      LYS  67  -4.794  -7.882   5.678
  520    HG3  LYS  67           1HG      LYS  67  -6.251  -8.543   6.411
  521    HD2  LYS  67           2HD      LYS  67  -5.853  -8.140   3.418
  522    HD3  LYS  67           1HD      LYS  67  -5.632  -9.672   4.255
  523    HE2  LYS  67           2HE      LYS  67  -8.094  -9.396   5.060
  524    HE3  LYS  67           1HE      LYS  67  -8.225  -8.162   3.806
  525    HZ1  LYS  67           3HZ      LYS  67  -8.452  -9.738   2.309
  526    HZ2  LYS  67           1HZ      LYS  67  -8.366 -10.924   3.518
  527    HZ3  LYS  67           2HZ      LYS  67  -6.949 -10.412   2.732
  528    H    THR  68           H        THR  68  -4.221  -7.032   7.898
  529    HA   THR  68           HA       THR  68  -2.158  -4.989   7.540
  530    HB   THR  68           HB       THR  68  -1.902  -7.834   8.601
  531    HG1  THR  68           1HG      THR  68  -2.213  -5.383   9.989
  532   HG21  THR  68          3HG2      THR  68   0.259  -6.851   7.946
  533   HG22  THR  68          1HG2      THR  68   0.131  -6.911   9.703
  534   HG23  THR  68          2HG2      THR  68  -0.115  -5.387   8.855
  535    H    LEU  69           H        LEU  69  -0.720  -4.930   5.897
  536    HA   LEU  69           HA       LEU  69  -0.624  -7.182   3.928
  537    HB2  LEU  69           2HB      LEU  69  -0.151  -4.215   3.437
  538    HB3  LEU  69           1HB      LEU  69  -0.222  -5.490   2.220
  539    HG   LEU  69           HG       LEU  69  -2.523  -4.597   4.003
  540   HD11  LEU  69          1HD1      LEU  69  -3.496  -3.705   1.933
  541   HD12  LEU  69          2HD1      LEU  69  -2.090  -4.245   1.021
  542   HD13  LEU  69          3HD1      LEU  69  -1.920  -2.971   2.229
  543   HD21  LEU  69          3HD2      LEU  69  -2.305  -6.807   1.919
  544   HD22  LEU  69          1HD2      LEU  69  -3.864  -6.073   2.311
  545   HD23  LEU  69          2HD2      LEU  69  -2.950  -6.903   3.560
  546    H    GLU  70           H        GLU  70   1.248  -8.218   3.922
  547    HA   GLU  70           HA       GLU  70   3.643  -7.085   5.169
  548    HB2  GLU  70           2HB      GLU  70   3.126  -9.763   3.821
  549    HB3  GLU  70           1HB      GLU  70   4.609  -9.326   4.668
  550    HG2  GLU  70           2HG      GLU  70   3.335  -8.982   6.751
  551    HG3  GLU  70           1HG      GLU  70   1.841  -9.394   5.916
  552    H    LEU  71           H        LEU  71   5.342  -6.234   4.106
  553    HA   LEU  71           HA       LEU  71   5.262  -6.054   1.135
  554    HB2  LEU  71           2HB      LEU  71   6.921  -4.424   3.104
  555    HB3  LEU  71           1HB      LEU  71   6.665  -4.089   1.392
  556    HG   LEU  71           HG       LEU  71   4.540  -4.024   3.571
  557   HD11  LEU  71          1HD1      LEU  71   4.523  -1.587   3.120
  558   HD12  LEU  71          2HD1      LEU  71   5.828  -1.797   1.955
  559   HD13  LEU  71          3HD1      LEU  71   6.112  -2.130   3.662
  560   HD21  LEU  71          3HD2      LEU  71   3.394  -4.683   1.566
  561   HD22  LEU  71          1HD2      LEU  71   4.354  -3.596   0.560
  562   HD23  LEU  71          2HD2      LEU  71   3.147  -2.949   1.674
  563    H    LYS  72           H        LYS  72   6.778  -6.972  -0.081
  564    HA   LYS  72           HA       LYS  72   9.314  -7.975   1.117
  565    HB2  LYS  72           2HB      LYS  72   9.040 -10.075  -0.186
  566    HB3  LYS  72           1HB      LYS  72   7.786  -9.879   1.036
  567    HG2  LYS  72           2HG      LYS  72   6.247  -8.991  -0.711
  568    HG3  LYS  72           1HG      LYS  72   7.493  -9.261  -1.928
  569    HD2  LYS  72           2HD      LYS  72   7.494 -11.674  -1.408
  570    HD3  LYS  72           1HD      LYS  72   6.246 -11.413  -0.189
  571    HE2  LYS  72           2HE      LYS  72   4.709 -10.575  -1.926
  572    HE3  LYS  72           1HE      LYS  72   5.956 -10.808  -3.152
  573    HZ1  LYS  72           3HZ      LYS  72   4.121 -12.638  -2.534
  574    HZ2  LYS  72           1HZ      LYS  72   5.376 -13.119  -1.500
  575    HZ3  LYS  72           2HZ      LYS  72   5.649 -13.016  -3.172
  576    H    ALA  73           H        ALA  73  11.108  -7.803  -0.190
  577    HA   ALA  73           HA       ALA  73  10.861  -7.160  -3.046
  578    HB1  ALA  73           1HB      ALA  73  10.703  -4.963  -1.924
  579    HB2  ALA  73           2HB      ALA  73  12.226  -5.118  -2.799
  580    HB3  ALA  73           3HB      ALA  73  12.195  -5.301  -1.045
  581    H    GLU  74           H        GLU  74  12.503  -8.154  -4.127
  582    HA   GLU  74           HA       GLU  74  14.571  -9.556  -2.591
  583    HB2  GLU  74           2HB      GLU  74  13.870  -9.523  -5.547
  584    HB3  GLU  74           1HB      GLU  74  15.135 -10.531  -4.839
  585    HG2  GLU  74           2HG      GLU  74  13.475 -11.614  -3.376
  586    HG3  GLU  74           1HG      GLU  74  12.204 -10.593  -4.038
  587    H    GLY  75           H        GLY  75  16.350  -8.571  -2.051
  588    HA2  GLY  75           2HA      GLY  75  18.537  -7.860  -3.077
  589    HA3  GLY  75           1HA      GLY  75  17.641  -6.578  -3.880
  590    H    VAL  76           H        VAL  76  15.943  -6.405  -1.310
  591    HA   VAL  76           HA       VAL  76  17.896  -5.037   0.478
  592    HB   VAL  76           HB       VAL  76  16.335  -3.155   0.707
  593   HG11  VAL  76          1HG1      VAL  76  18.141  -3.008  -0.960
  594   HG12  VAL  76          2HG1      VAL  76  16.714  -2.130  -1.506
  595   HG13  VAL  76          3HG1      VAL  76  17.080  -3.719  -2.175
  596   HG21  VAL  76          3HG2      VAL  76  14.449  -2.928  -0.967
  597   HG22  VAL  76          1HG2      VAL  76  14.197  -4.252   0.167
  598   HG23  VAL  76          2HG2      VAL  76  14.752  -4.592  -1.472
  599    H    THR  77           H        THR  77  17.062  -4.646   2.612
  600    HA   THR  77           HA       THR  77  15.201  -6.773   3.525
  601    HB   THR  77           HB       THR  77  17.145  -5.068   5.137
  602    HG1  THR  77           1HG      THR  77  18.577  -6.391   4.415
  603   HG21  THR  77          3HG2      THR  77  15.602  -7.599   5.807
  604   HG22  THR  77          1HG2      THR  77  15.282  -5.995   6.470
  605   HG23  THR  77          2HG2      THR  77  16.789  -6.823   6.855
  606    H    VAL  78           H        VAL  78  13.177  -6.102   3.844
  607    HA   VAL  78           HA       VAL  78  12.539  -3.266   4.362
  608    HB   VAL  78           HB       VAL  78  10.112  -4.340   4.108
  609   HG11  VAL  78          1HG1      VAL  78  10.206  -4.108   1.654
  610   HG12  VAL  78          2HG1      VAL  78  11.966  -4.096   1.735
  611   HG13  VAL  78          3HG1      VAL  78  11.039  -2.790   2.481
  612   HG21  VAL  78          3HG2      VAL  78  11.784  -6.440   2.681
  613   HG22  VAL  78          1HG2      VAL  78  10.037  -6.345   2.746
  614   HG23  VAL  78          2HG2      VAL  78  10.939  -6.695   4.210
  615    H    GLN  79           H        GLN  79  11.897  -2.608   6.309
  616    HA   GLN  79           HA       GLN  79  10.724  -4.449   8.242
  617    HB2  GLN  79           2HB      GLN  79  12.403  -3.946  10.020
  618    HB3  GLN  79           1HB      GLN  79  13.054  -4.887   8.680
  619    HG2  GLN  79           2HG      GLN  79  13.982  -2.803   7.685
  620    HG3  GLN  79           1HG      GLN  79  13.372  -1.891   9.062
  621   HE21  GLN  79          1HE2      GLN  79  15.974  -3.907   7.955
  622   HE22  GLN  79          2HE2      GLN  79  16.831  -3.947   9.418
  623    HA   PRO  80           HA       PRO  80   9.587  -4.293  10.366
  624    HB2  PRO  80           2HB      PRO  80   6.994  -3.689  11.002
  625    HB3  PRO  80           1HB      PRO  80   8.357  -2.994  11.912
  626    HG2  PRO  80           2HG      PRO  80   6.826  -1.759   9.622
  627    HG3  PRO  80           1HG      PRO  80   7.188  -1.055  11.217
  628    HD2  PRO  80           2HD      PRO  80   8.739  -0.455   9.071
  629    HD3  PRO  80           1HD      PRO  80   9.477  -0.690  10.674
  630    H    SER  81           H        SER  81   8.612  -2.798   7.544
  631    HA   SER  81           HA       SER  81   7.655  -3.481   5.586
  632    HB2  SER  81           2HB      SER  81   8.144  -5.682   4.894
  633    HB3  SER  81           1HB      SER  81   9.326  -5.408   6.167
  634    HG   SER  81           HG       SER  81   7.827  -7.395   6.108
  635    H    THR  82           H        THR  82   6.016  -3.306   8.177
  636    HA   THR  82           HA       THR  82   3.518  -4.483   7.069
  637    HB   THR  82           HB       THR  82   2.832  -4.946   9.440
  638    HG1  THR  82           1HG      THR  82   4.348  -3.480  10.371
  639   HG21  THR  82          3HG2      THR  82   3.716  -6.795   8.103
  640   HG22  THR  82          1HG2      THR  82   4.289  -6.940   9.766
  641   HG23  THR  82          2HG2      THR  82   5.370  -6.333   8.511
  642    H    VAL  83           H        VAL  83   1.809  -3.154   7.193
  643    HA   VAL  83           HA       VAL  83   1.840  -0.686   8.802
  644    HB   VAL  83           HB       VAL  83   1.186   0.690   6.783
  645   HG11  VAL  83          1HG1      VAL  83   3.961  -0.547   6.532
  646   HG12  VAL  83          2HG1      VAL  83   3.531   0.702   7.700
  647   HG13  VAL  83          3HG1      VAL  83   3.457   1.049   5.975
  648   HG21  VAL  83          3HG2      VAL  83   0.510  -1.166   5.299
  649   HG22  VAL  83          1HG2      VAL  83   2.172  -1.754   5.263
  650   HG23  VAL  83          2HG2      VAL  83   1.771  -0.198   4.538
  651    H    LYS  84           H        LYS  84  -0.292   0.230   9.000
  652    HA   LYS  84           HA       LYS  84  -2.456  -1.768   8.590
  653    HB2  LYS  84           2HB      LYS  84  -2.281   0.695  10.368
  654    HB3  LYS  84           1HB      LYS  84  -3.661  -0.406  10.279
  655    HG2  LYS  84           2HG      LYS  84  -2.222  -2.275  11.017
  656    HG3  LYS  84           1HG      LYS  84  -0.845  -1.175  11.117
  657    HD2  LYS  84           2HD      LYS  84  -2.037   0.170  12.816
  658    HD3  LYS  84           1HD      LYS  84  -3.415  -0.927  12.716
  659    HE2  LYS  84           2HE      LYS  84  -1.978  -2.798  13.460
  660    HE3  LYS  84           1HE      LYS  84  -0.607  -1.692  13.574
  661    HZ1  LYS  84           3HZ      LYS  84  -2.879  -0.683  14.955
  662    HZ2  LYS  84           1HZ      LYS  84  -1.308  -0.963  15.529
  663    HZ3  LYS  84           2HZ      LYS  84  -2.449  -2.222  15.531
  664    H    VAL  85           H        VAL  85  -4.109  -1.336   7.236
  665    HA   VAL  85           HA       VAL  85  -4.435   1.416   6.147
  666    HB   VAL  85           HB       VAL  85  -3.170   0.000   4.548
  667   HG11  VAL  85          1HG1      VAL  85  -4.156  -2.191   5.202
  668   HG12  VAL  85          2HG1      VAL  85  -4.221  -1.915   3.463
  669   HG13  VAL  85          3HG1      VAL  85  -5.673  -1.723   4.437
  670   HG21  VAL  85          3HG2      VAL  85  -4.621   1.792   3.711
  671   HG22  VAL  85          1HG2      VAL  85  -6.006   0.700   3.687
  672   HG23  VAL  85          2HG2      VAL  85  -4.654   0.425   2.605
  673    H    ASN  86           H        ASN  86  -6.434   2.105   5.924
  674    HA   ASN  86           HA       ASN  86  -8.708   0.303   6.655
  675    HB2  ASN  86           2HB      ASN  86  -9.814   2.342   7.506
  676    HB3  ASN  86           1HB      ASN  86  -8.293   2.036   8.339
  677   HD21  ASN  86          1HD2      ASN  86  -6.764   3.714   8.332
  678   HD22  ASN  86          2HD2      ASN  86  -6.890   5.116   7.381
  679    H    LEU  87           H        LEU  87 -10.181  -0.021   5.127
  680    HA   LEU  87           HA       LEU  87 -10.292   1.724   2.709
  681    HB2  LEU  87           2HB      LEU  87 -11.310  -1.127   3.057
  682    HB3  LEU  87           1HB      LEU  87 -11.157  -0.227   1.548
  683    HG   LEU  87           HG       LEU  87  -8.852  -1.092   3.337
  684   HD11  LEU  87          1HD1      LEU  87  -9.951  -2.961   2.136
  685   HD12  LEU  87          2HD1      LEU  87  -8.322  -2.660   1.544
  686   HD13  LEU  87          3HD1      LEU  87  -9.708  -2.106   0.609
  687   HD21  LEU  87          3HD2      LEU  87  -8.128   0.913   2.226
  688   HD22  LEU  87          1HD2      LEU  87  -8.930   0.468   0.719
  689   HD23  LEU  87          2HD2      LEU  87  -7.482  -0.393   1.247
  690    H    LYS  88           H        LYS  88 -11.893   3.203   2.977
  691    HA   LYS  88           HA       LYS  88 -14.356   2.509   4.445
  692    HB2  LYS  88           2HB      LYS  88 -13.361   5.108   3.221
  693    HB3  LYS  88           1HB      LYS  88 -14.834   4.929   4.177
  694    HG2  LYS  88           2HG      LYS  88 -13.494   4.157   6.107
  695    HG3  LYS  88           1HG      LYS  88 -12.019   4.329   5.153
  696    HD2  LYS  88           2HD      LYS  88 -12.488   6.757   4.894
  697    HD3  LYS  88           1HD      LYS  88 -13.933   6.572   5.886
  698    HE2  LYS  88           2HE      LYS  88 -11.084   6.008   6.774
  699    HE3  LYS  88           1HE      LYS  88 -12.063   7.395   7.256
  700    HZ1  LYS  88           3HZ      LYS  88 -12.093   4.712   8.248
  701    HZ2  LYS  88           1HZ      LYS  88 -13.641   5.241   7.800
  702    HZ3  LYS  88           2HZ      LYS  88 -12.737   6.127   8.934
  703    H    VAL  89           H        VAL  89 -16.161   1.922   3.402
  704    HA   VAL  89           HA       VAL  89 -16.324   2.130   0.441
  705    HB   VAL  89           HB       VAL  89 -18.075   0.504   2.345
  706   HG11  VAL  89          1HG1      VAL  89 -17.512   0.198  -0.632
  707   HG12  VAL  89          2HG1      VAL  89 -18.965   0.932   0.038
  708   HG13  VAL  89          3HG1      VAL  89 -18.629  -0.773   0.327
  709   HG21  VAL  89          3HG2      VAL  89 -16.643  -1.435   1.705
  710   HG22  VAL  89          1HG2      VAL  89 -15.744  -0.225   2.618
  711   HG23  VAL  89          2HG2      VAL  89 -15.553  -0.330   0.867
  712    H    THR  90           H        THR  90 -17.796   3.484  -0.482
  713    HA   THR  90           HA       THR  90 -19.557   5.095   1.290
  714    HB   THR  90           HB       THR  90 -18.769   5.538  -1.620
  715    HG1  THR  90           1HG      THR  90 -17.007   6.311  -0.838
  716   HG21  THR  90          3HG2      THR  90 -20.055   7.361   0.443
  717   HG22  THR  90          1HG2      THR  90 -20.845   6.705  -0.990
  718   HG23  THR  90          2HG2      THR  90 -19.526   7.856  -1.164
  719    H    GLN  91           H        GLN  91 -21.640   4.618   1.398
  720    HA   GLN  91           HA       GLN  91 -22.961   2.978  -0.691
  721    HB2  GLN  91           2HB      GLN  91 -23.739   3.677   2.166
  722    HB3  GLN  91           1HB      GLN  91 -24.727   2.708   1.074
  723    HG2  GLN  91           2HG      GLN  91 -23.464   1.198   2.495
  724    HG3  GLN  91           1HG      GLN  91 -22.808   1.093   0.867
  725   HE21  GLN  91          1HE2      GLN  91 -20.660   0.576   1.347
  726   HE22  GLN  91          2HE2      GLN  91 -19.637   1.572   2.256
  727    H    LYS  92           H        LYS  92 -24.376   3.898  -2.038
  728    HA   LYS  92           HA       LYS  92 -25.715   6.470  -1.328
  729    HB2  LYS  92           2HB      LYS  92 -24.563   5.688  -4.022
  730    HB3  LYS  92           1HB      LYS  92 -25.576   7.100  -3.751
  731    HG2  LYS  92           2HG      LYS  92 -22.950   6.682  -2.260
  732    HG3  LYS  92           1HG      LYS  92 -23.032   7.524  -3.803
  733    HD2  LYS  92           2HD      LYS  92 -24.617   9.170  -2.812
  734    HD3  LYS  92           1HD      LYS  92 -24.476   8.366  -1.256
  735    HE2  LYS  92           2HE      LYS  92 -22.061   8.816  -1.215
  736    HE3  LYS  92           1HE      LYS  92 -22.183   9.622  -2.780
  737    HZ1  LYS  92           3HZ      LYS  92 -22.562  10.742  -0.285
  738    HZ2  LYS  92           1HZ      LYS  92 -24.108  10.648  -0.977
  739    HZ3  LYS  92           2HZ      LYS  92 -22.862  11.465  -1.793
  740    H    LEU  93           H        LEU  93 -27.642   5.620  -0.781
  741    HA   LEU  93           HA       LEU  93 -28.956   3.520  -2.260
  742    HB2  LEU  93           2HB      LEU  93 -29.751   5.403  -0.016
  743    HB3  LEU  93           1HB      LEU  93 -30.964   4.381  -0.785
  744    HG   LEU  93           HG       LEU  93 -29.678   2.365  -0.196
  745   HD11  LEU  93          1HD1      LEU  93 -27.715   2.628   1.416
  746   HD12  LEU  93          2HD1      LEU  93 -27.705   4.344   1.001
  747   HD13  LEU  93          3HD1      LEU  93 -27.398   3.129  -0.242
  748   HD21  LEU  93          3HD2      LEU  93 -31.342   3.233   1.409
  749   HD22  LEU  93          1HD2      LEU  93 -30.100   4.232   2.166
  750   HD23  LEU  93          2HD2      LEU  93 -29.996   2.475   2.260
  751    H    GLU  94           H        GLU  94 -29.152   4.142  -4.368
  752    HA   GLU  94           HA       GLU  94 -29.997   6.672  -5.306
  753    HB2  GLU  94           2HB      GLU  94 -30.457   5.459  -7.447
  754    HB3  GLU  94           1HB      GLU  94 -28.864   5.097  -6.782
  755    HG2  GLU  94           2HG      GLU  94 -29.775   3.005  -5.781
  756    HG3  GLU  94           1HG      GLU  94 -31.342   3.354  -6.505
  757    H    HIS  95           H        HIS  95 -31.732   3.839  -4.219
  758    HA   HIS  95           HA       HIS  95 -33.950   3.378  -3.904
  759    HB2  HIS  95           2HB      HIS  95 -33.655   5.291  -2.331
  760    HB3  HIS  95           1HB      HIS  95 -34.159   6.395  -3.606
  761    HD2  HIS  95           2HD      HIS  95 -35.751   3.780  -1.155
  762    HE1  HIS  95           1HE      HIS  95 -38.885   5.546  -3.363
  763    HE2  HIS  95           2HE      HIS  95 -38.338   4.010  -1.415
  764    H    HIS  96           H        HIS  96 -34.122   2.688  -6.129
  765    HA   HIS  96           HA       HIS  96 -34.931   4.349  -8.261
  766    HB2  HIS  96           2HB      HIS  96 -35.638   2.219  -9.335
  767    HB3  HIS  96           1HB      HIS  96 -34.032   2.101  -8.620
  768    HD2  HIS  96           2HD      HIS  96 -37.456   0.358  -8.342
  769    HE1  HIS  96           1HE      HIS  96 -35.143  -1.007  -5.085
  770    HE2  HIS  96           2HE      HIS  96 -37.287  -1.374  -6.396
  771    H    HIS  97           H        HIS  97 -36.827   5.325  -8.661
  772    HA   HIS  97           HA       HIS  97 -39.383   4.179  -8.079
  773    HB2  HIS  97           2HB      HIS  97 -38.757   4.913  -5.782
  774    HB3  HIS  97           1HB      HIS  97 -38.530   6.555  -6.376
  775    HD2  HIS  97           2HD      HIS  97 -40.881   8.055  -6.476
  776    HE1  HIS  97           1HE      HIS  97 -43.597   4.880  -5.867
  777    HE2  HIS  97           2HE      HIS  97 -43.381   7.399  -6.098
  778    H    HIS  98           H        HIS  98 -40.544   4.859  -9.776
  779    HA   HIS  98           HA       HIS  98 -39.770   7.037 -11.451
  780    HB2  HIS  98           2HB      HIS  98 -41.931   6.554 -12.605
  781    HB3  HIS  98           1HB      HIS  98 -40.971   5.100 -12.339
  782    HD2  HIS  98           2HD      HIS  98 -41.975   3.388 -10.223
  783    HE1  HIS  98           1HE      HIS  98 -45.730   5.306  -9.987
  784    HE2  HIS  98           2HE      HIS  98 -44.401   3.266  -9.262
  785    H    HIS  99           H        HIS  99 -40.059   9.160 -10.995
  786    HA   HIS  99           HA       HIS  99 -41.727  10.085  -8.859
  787    HB2  HIS  99           2HB      HIS  99 -39.659  11.259  -9.602
  788    HB3  HIS  99           1HB      HIS  99 -40.453  11.676 -11.120
  789    HD2  HIS  99           2HD      HIS  99 -40.567  12.733  -7.332
  790    HE1  HIS  99           1HE      HIS  99 -43.126  15.313  -9.480
  791    HE2  HIS  99           2HE      HIS  99 -42.051  14.879  -7.222
  792    H    HIS 100           H        HIS 100 -43.825  10.677  -8.891
  793    HA   HIS 100           HA       HIS 100 -45.518  10.128 -11.091
  794    HB2  HIS 100           2HB      HIS 100 -46.050  11.871  -8.662
  795    HB3  HIS 100           1HB      HIS 100 -47.274  11.185  -9.733
  796    HD2  HIS 100           2HD      HIS 100 -45.249  10.160  -6.622
  797    HE1  HIS 100           1HE      HIS 100 -46.991   6.624  -8.131
  798    HE2  HIS 100           2HE      HIS 100 -45.745   7.638  -6.164
  Start of MODEL    9
    1    H1   LYS   1           1HT      LYS   1  42.252  -0.858   8.349
    2    H2   LYS   1           2HT      LYS   1  41.163   0.437   8.496
    3    H3   LYS   1           3HT      LYS   1  42.795   0.734   8.126
    4    HA   LYS   1           HA       LYS   1  41.786   0.961   6.075
    5    HB2  LYS   1           2HB      LYS   1  42.591  -1.957   6.368
    6    HB3  LYS   1           1HB      LYS   1  42.399  -1.119   4.826
    7    HG2  LYS   1           2HG      LYS   1  44.156   0.492   5.478
    8    HG3  LYS   1           1HG      LYS   1  44.355  -0.347   7.018
    9    HD2  LYS   1           2HD      LYS   1  45.017  -2.402   5.828
   10    HD3  LYS   1           1HD      LYS   1  44.799  -1.586   4.280
   11    HE2  LYS   1           2HE      LYS   1  47.177  -1.592   4.924
   12    HE3  LYS   1           1HE      LYS   1  46.548   0.056   4.904
   13    HZ1  LYS   1           2HZ      LYS   1  47.860  -1.063   6.969
   14    HZ2  LYS   1           3HZ      LYS   1  46.243  -1.307   7.429
   15    HZ3  LYS   1           1HZ      LYS   1  46.803   0.261   7.102
   16    H    ILE   2           H        ILE   2  40.541  -1.915   7.757
   17    HA   ILE   2           HA       ILE   2  38.311  -2.350   6.052
   18    HB   ILE   2           HB       ILE   2  37.429  -3.713   7.960
   19   HG12  ILE   2          2HG1      ILE   2  39.935  -2.761   9.426
   20   HG13  ILE   2          1HG1      ILE   2  38.312  -2.196   9.794
   21   HG21  ILE   2          1HG2      ILE   2  40.393  -4.118   7.405
   22   HG22  ILE   2          2HG2      ILE   2  39.084  -4.649   6.350
   23   HG23  ILE   2          3HG2      ILE   2  39.264  -5.357   7.951
   24   HD11  ILE   2          3HD1      ILE   2  37.631  -4.557  10.264
   25   HD12  ILE   2          1HD1      ILE   2  38.885  -3.963  11.352
   26   HD13  ILE   2          2HD1      ILE   2  39.308  -5.048  10.030
   27    H    SER   3           H        SER   3  36.023  -2.177   6.861
   28    HA   SER   3           HA       SER   3  35.379   0.034   8.640
   29    HB2  SER   3           2HB      SER   3  34.741   0.224   5.679
   30    HB3  SER   3           1HB      SER   3  34.212   1.351   6.928
   31    HG   SER   3           HG       SER   3  36.486   1.337   5.571
   32    H    LEU   4           H        LEU   4  33.031   0.252   8.896
   33    HA   LEU   4           HA       LEU   4  31.373  -1.944   7.849
   34    HB2  LEU   4           2HB      LEU   4  32.611  -2.545  10.115
   35    HB3  LEU   4           1HB      LEU   4  31.409  -1.494  10.854
   36    HG   LEU   4           HG       LEU   4  30.868  -3.982   9.180
   37   HD11  LEU   4          1HD1      LEU   4  29.958  -4.880  11.282
   38   HD12  LEU   4          2HD1      LEU   4  30.360  -3.377  12.110
   39   HD13  LEU   4          3HD1      LEU   4  31.646  -4.414  11.488
   40   HD21  LEU   4          3HD2      LEU   4  28.433  -3.532   9.957
   41   HD22  LEU   4          1HD2      LEU   4  29.064  -2.526   8.662
   42   HD23  LEU   4          2HD2      LEU   4  28.970  -1.886  10.303
   43    H    ARG   5           H        ARG   5  29.605  -0.983   7.163
   44    HA   ARG   5           HA       ARG   5  27.982   0.752   8.750
   45    HB2  ARG   5           2HB      ARG   5  28.172   2.767   7.307
   46    HB3  ARG   5           1HB      ARG   5  29.684   2.407   8.139
   47    HG2  ARG   5           2HG      ARG   5  30.528   1.271   6.091
   48    HG3  ARG   5           1HG      ARG   5  29.032   1.681   5.254
   49    HD2  ARG   5           2HD      ARG   5  29.486   4.082   5.618
   50    HD3  ARG   5           1HD      ARG   5  30.995   3.659   6.425
   51    HE   ARG   5           HE       ARG   5  31.954   3.262   4.350
   52   HH11  ARG   5          1HH2      ARG   5  28.492   3.315   4.065
   53   HH12  ARG   5          2HH2      ARG   5  28.500   3.236   2.336
   54   HH21  ARG   5          1HH1      ARG   5  31.956   3.149   2.084
   55   HH22  ARG   5          2HH1      ARG   5  30.456   3.141   1.217
   56    H    LYS   6           H        LYS   6  25.997   1.304   7.671
   57    HA   LYS   6           HA       LYS   6  25.434  -0.101   5.116
   58    HB2  LYS   6           2HB      LYS   6  23.309  -0.932   6.124
   59    HB3  LYS   6           1HB      LYS   6  24.736  -1.614   6.902
   60    HG2  LYS   6           2HG      LYS   6  24.540   0.088   8.717
   61    HG3  LYS   6           1HG      LYS   6  23.071   0.704   7.958
   62    HD2  LYS   6           2HD      LYS   6  22.007  -1.513   8.219
   63    HD3  LYS   6           1HD      LYS   6  23.472  -2.123   8.989
   64    HE2  LYS   6           2HE      LYS   6  21.752   0.155  10.021
   65    HE3  LYS   6           1HE      LYS   6  21.800  -1.480  10.681
   66    HZ1  LYS   6           3HZ      LYS   6  24.316  -1.028  10.855
   67    HZ2  LYS   6           1HZ      LYS   6  23.279  -0.356  12.017
   68    HZ3  LYS   6           2HZ      LYS   6  23.872   0.610  10.753
   69    H    LEU   7           H        LEU   7  23.904   0.885   3.852
   70    HA   LEU   7           HA       LEU   7  23.141   3.650   4.590
   71    HB2  LEU   7           2HB      LEU   7  22.993   2.236   1.900
   72    HB3  LEU   7           1HB      LEU   7  22.769   3.962   2.200
   73    HG   LEU   7           HG       LEU   7  25.344   2.407   2.670
   74   HD11  LEU   7          1HD1      LEU   7  26.187   3.732   0.738
   75   HD12  LEU   7          2HD1      LEU   7  24.572   4.404   0.513
   76   HD13  LEU   7          3HD1      LEU   7  24.848   2.678   0.291
   77   HD21  LEU   7          3HD2      LEU   7  24.601   5.326   3.125
   78   HD22  LEU   7          1HD2      LEU   7  26.278   4.845   2.843
   79   HD23  LEU   7          2HD2      LEU   7  25.408   4.212   4.231
   80    H    SER   8           H        SER   8  20.993   4.265   3.470
   81    HA   SER   8           HA       SER   8  18.912   2.237   3.509
   82    HB2  SER   8           2HB      SER   8  19.166   2.615   5.910
   83    HB3  SER   8           1HB      SER   8  19.012   4.354   5.673
   84    HG   SER   8           HG       SER   8  16.962   3.364   4.468
   85    H    LYS   9           H        LYS   9  16.916   2.996   2.782
   86    HA   LYS   9           HA       LYS   9  16.675   5.767   1.833
   87    HB2  LYS   9           2HB      LYS   9  16.546   3.321   0.039
   88    HB3  LYS   9           1HB      LYS   9  15.901   4.889  -0.441
   89    HG2  LYS   9           2HG      LYS   9  18.810   4.504   0.359
   90    HG3  LYS   9           1HG      LYS   9  18.247   4.330  -1.290
   91    HD2  LYS   9           2HD      LYS   9  17.402   6.673  -1.233
   92    HD3  LYS   9           1HD      LYS   9  18.043   6.858   0.393
   93    HE2  LYS   9           2HE      LYS   9  19.735   6.139  -2.016
   94    HE3  LYS   9           1HE      LYS   9  19.588   7.760  -1.338
   95    HZ1  LYS   9           3HZ      LYS   9  21.324   7.114  -0.105
   96    HZ2  LYS   9           1HZ      LYS   9  21.021   5.459  -0.324
   97    HZ3  LYS   9           2HZ      LYS   9  20.151   6.334   0.845
   98    H    SER  10           H        SER  10  14.564   6.169   0.933
   99    HA   SER  10           HA       SER  10  12.426   4.658   2.363
  100    HB2  SER  10           2HB      SER  10  11.196   6.759   2.444
  101    HB3  SER  10           1HB      SER  10  12.790   6.983   3.166
  102    HG   SER  10           HG       SER  10  13.478   7.869   1.184
  103    H    VAL  11           H        VAL  11  10.812   3.861   1.193
  104    HA   VAL  11           HA       VAL  11  10.476   4.601  -1.677
  105    HB   VAL  11           HB       VAL  11   9.796   2.066  -1.895
  106   HG11  VAL  11          1HG1      VAL  11  12.715   2.830  -1.531
  107   HG12  VAL  11          2HG1      VAL  11  11.773   3.049  -3.005
  108   HG13  VAL  11          3HG1      VAL  11  12.116   1.427  -2.416
  109   HG21  VAL  11          3HG2      VAL  11  11.654   1.899   0.520
  110   HG22  VAL  11          1HG2      VAL  11  10.951   0.547  -0.363
  111   HG23  VAL  11          2HG2      VAL  11   9.921   1.609   0.585
  112    HA   PRO  12           HA       PRO  12   6.458   5.249   0.545
  113    HB2  PRO  12           2HB      PRO  12   5.863   6.634  -2.080
  114    HB3  PRO  12           1HB      PRO  12   5.514   7.187  -0.422
  115    HG2  PRO  12           2HG      PRO  12   7.533   8.275  -1.745
  116    HG3  PRO  12           1HG      PRO  12   7.751   7.821  -0.038
  117    HD2  PRO  12           2HD      PRO  12   8.677   6.304  -2.502
  118    HD3  PRO  12           1HD      PRO  12   9.564   6.653  -0.998
  119    H    VAL  13           H        VAL  13   4.540   4.151   0.343
  120    HA   VAL  13           HA       VAL  13   4.407   2.047  -1.718
  121    HB   VAL  13           HB       VAL  13   2.668   2.420   0.761
  122   HG11  VAL  13          1HG1      VAL  13   2.245  -0.003   0.456
  123   HG12  VAL  13          2HG1      VAL  13   3.261   0.000  -0.988
  124   HG13  VAL  13          3HG1      VAL  13   1.746   0.902  -0.974
  125   HG21  VAL  13          3HG2      VAL  13   5.050   2.232   1.405
  126   HG22  VAL  13          1HG2      VAL  13   5.213   0.792   0.401
  127   HG23  VAL  13          2HG2      VAL  13   4.177   0.765   1.827
  128    H    LYS  14           H        LYS  14   2.890   2.016  -3.291
  129    HA   LYS  14           HA       LYS  14   0.809   4.172  -3.359
  130    HB2  LYS  14           2HB      LYS  14   2.242   2.734  -5.625
  131    HB3  LYS  14           1HB      LYS  14   0.954   3.923  -5.828
  132    HG2  LYS  14           2HG      LYS  14   2.340   5.623  -4.685
  133    HG3  LYS  14           1HG      LYS  14   3.630   4.437  -4.481
  134    HD2  LYS  14           2HD      LYS  14   3.809   4.208  -6.937
  135    HD3  LYS  14           1HD      LYS  14   2.520   5.394  -7.143
  136    HE2  LYS  14           2HE      LYS  14   3.903   7.095  -5.991
  137    HE3  LYS  14           1HE      LYS  14   5.194   5.907  -5.796
  138    HZ1  LYS  14           3HZ      LYS  14   4.089   6.884  -8.374
  139    HZ2  LYS  14           1HZ      LYS  14   5.286   5.695  -8.216
  140    HZ3  LYS  14           2HZ      LYS  14   5.602   7.288  -7.715
  141    H    LEU  15           H        LEU  15  -1.264   3.482  -3.371
  142    HA   LEU  15           HA       LEU  15  -1.836   0.584  -3.502
  143    HB2  LEU  15           2HB      LEU  15  -2.655   2.093  -1.593
  144    HB3  LEU  15           1HB      LEU  15  -3.714   2.865  -2.767
  145    HG   LEU  15           HG       LEU  15  -4.500   0.330  -3.266
  146   HD11  LEU  15          1HD1      LEU  15  -3.509   0.134  -0.396
  147   HD12  LEU  15          2HD1      LEU  15  -2.822  -0.731  -1.770
  148   HD13  LEU  15          3HD1      LEU  15  -4.466  -1.082  -1.242
  149   HD21  LEU  15          3HD2      LEU  15  -5.997   2.086  -2.391
  150   HD22  LEU  15          1HD2      LEU  15  -5.359   1.836  -0.766
  151   HD23  LEU  15          2HD2      LEU  15  -6.287   0.562  -1.557
  152    H    GLU  16           H        GLU  16  -2.845  -0.321  -5.231
  153    HA   GLU  16           HA       GLU  16  -4.115   1.463  -7.275
  154    HB2  GLU  16           2HB      GLU  16  -2.530  -1.089  -7.727
  155    HB3  GLU  16           1HB      GLU  16  -3.321  -0.130  -8.977
  156    HG2  GLU  16           2HG      GLU  16  -1.121   0.904  -7.145
  157    HG3  GLU  16           1HG      GLU  16  -0.870   0.356  -8.801
  158    H    LEU  17           H        LEU  17  -6.234   1.196  -7.022
  159    HA   LEU  17           HA       LEU  17  -7.486  -1.128  -5.981
  160    HB2  LEU  17           2HB      LEU  17  -9.575  -0.063  -6.698
  161    HB3  LEU  17           1HB      LEU  17  -8.518   1.074  -5.873
  162    HG   LEU  17           HG       LEU  17  -7.731   1.419  -8.561
  163   HD11  LEU  17          1HD1      LEU  17 -10.761   1.187  -8.572
  164   HD12  LEU  17          2HD1      LEU  17  -9.681  -0.026  -9.250
  165   HD13  LEU  17          3HD1      LEU  17  -9.712   1.601  -9.930
  166   HD21  LEU  17          3HD2      LEU  17  -8.950   3.560  -8.475
  167   HD22  LEU  17          1HD2      LEU  17  -8.160   3.240  -6.929
  168   HD23  LEU  17          2HD2      LEU  17  -9.896   2.980  -7.102
  169    H    THR  18           H        THR  18  -8.071  -2.973  -6.947
  170    HA   THR  18           HA       THR  18  -8.084  -3.185  -9.923
  171    HB   THR  18           HB       THR  18  -7.076  -5.293  -7.977
  172    HG1  THR  18           1HG      THR  18  -5.313  -4.195  -8.030
  173   HG21  THR  18          3HG2      THR  18  -6.983  -5.091 -11.006
  174   HG22  THR  18          1HG2      THR  18  -7.958  -6.228 -10.074
  175   HG23  THR  18          2HG2      THR  18  -6.202  -6.349 -10.050
  176    H    GLY  19           H        GLY  19  -9.786  -4.200 -10.749
  177    HA2  GLY  19           2HA      GLY  19 -11.483  -5.957 -10.684
  178    HA3  GLY  19           1HA      GLY  19 -11.732  -5.625  -8.974
  179    H    ASP  20           H        ASP  20 -13.871  -5.679 -10.654
  180    HA   ASP  20           HA       ASP  20 -14.589  -2.961 -11.501
  181    HB2  ASP  20           2HB      ASP  20 -16.167  -5.554 -11.450
  182    HB3  ASP  20           1HB      ASP  20 -16.721  -4.041 -12.166
  183    H    LYS  21           H        LYS  21 -15.805  -1.560 -10.319
  184    HA   LYS  21           HA       LYS  21 -16.212  -1.936  -7.546
  185    HB2  LYS  21           2HB      LYS  21 -17.464   0.181  -7.659
  186    HB3  LYS  21           1HB      LYS  21 -15.947   0.285  -8.554
  187    HG2  LYS  21           2HG      LYS  21 -17.274  -0.276 -10.669
  188    HG3  LYS  21           1HG      LYS  21 -18.741  -0.078  -9.720
  189    HD2  LYS  21           2HD      LYS  21 -16.611   2.045 -10.195
  190    HD3  LYS  21           1HD      LYS  21 -18.201   1.985 -10.954
  191    HE2  LYS  21           2HE      LYS  21 -17.549   2.535  -8.036
  192    HE3  LYS  21           1HE      LYS  21 -18.441   3.554  -9.160
  193    HZ1  LYS  21           3HZ      LYS  21 -19.324   1.178  -7.703
  194    HZ2  LYS  21           1HZ      LYS  21 -19.976   1.439  -9.248
  195    HZ3  LYS  21           2HZ      LYS  21 -20.157   2.621  -8.040
  196    H    ALA  22           H        ALA  22 -17.943  -2.630  -6.372
  197    HA   ALA  22           HA       ALA  22 -19.896  -4.284  -7.611
  198    HB1  ALA  22           1HB      ALA  22 -19.910  -3.135  -4.804
  199    HB2  ALA  22           2HB      ALA  22 -19.142  -4.640  -5.293
  200    HB3  ALA  22           3HB      ALA  22 -20.895  -4.477  -5.377
  201    H    SER  23           H        SER  23 -22.289  -4.014  -7.124
  202    HA   SER  23           HA       SER  23 -23.184  -1.532  -8.364
  203    HB2  SER  23           2HB      SER  23 -24.162  -3.706  -8.991
  204    HB3  SER  23           1HB      SER  23 -24.786  -3.896  -7.354
  205    HG   SER  23           HG       SER  23 -26.063  -2.092  -7.663
  206    H    ASN  24           H        ASN  24 -23.010  -2.829  -5.136
  207    HA   ASN  24           HA       ASN  24 -24.993  -0.999  -4.018
  208    HB2  ASN  24           2HB      ASN  24 -24.386  -2.075  -1.879
  209    HB3  ASN  24           1HB      ASN  24 -24.777  -3.263  -3.119
  210   HD21  ASN  24          1HD2      ASN  24 -22.175  -1.983  -1.121
  211   HD22  ASN  24          2HD2      ASN  24 -21.013  -3.133  -1.581
  212    H    VAL  25           H        VAL  25 -21.682  -0.797  -4.789
  213    HA   VAL  25           HA       VAL  25 -21.179   1.328  -2.747
  214    HB   VAL  25           HB       VAL  25 -19.669  -0.700  -2.820
  215   HG11  VAL  25          1HG1      VAL  25 -19.681  -0.833  -5.394
  216   HG12  VAL  25          2HG1      VAL  25 -18.116  -1.049  -4.624
  217   HG13  VAL  25          3HG1      VAL  25 -18.522   0.489  -5.384
  218   HG21  VAL  25          3HG2      VAL  25 -18.926   1.466  -1.863
  219   HG22  VAL  25          1HG2      VAL  25 -18.337   1.960  -3.450
  220   HG23  VAL  25          2HG2      VAL  25 -17.596   0.597  -2.616
  221    H    SER  26           H        SER  26 -21.001   3.381  -3.393
  222    HA   SER  26           HA       SER  26 -21.192   4.075  -6.236
  223    HB2  SER  26           2HB      SER  26 -22.574   5.255  -4.560
  224    HB3  SER  26           1HB      SER  26 -21.113   5.840  -3.768
  225    HG   SER  26           HG       SER  26 -22.242   6.532  -6.232
  226    H    SER  27           H        SER  27 -18.916   4.349  -3.539
  227    HA   SER  27           HA       SER  27 -16.649   4.606  -5.339
  228    HB2  SER  27           2HB      SER  27 -15.884   6.764  -4.482
  229    HB3  SER  27           1HB      SER  27 -17.484   6.950  -5.201
  230    HG   SER  27           HG       SER  27 -17.305   7.946  -3.132
  231    H    ILE  28           H        ILE  28 -14.609   4.549  -4.183
  232    HA   ILE  28           HA       ILE  28 -14.738   3.586  -1.364
  233    HB   ILE  28           HB       ILE  28 -13.123   2.329  -3.621
  234   HG12  ILE  28          2HG1      ILE  28 -15.380   1.164  -1.936
  235   HG13  ILE  28          1HG1      ILE  28 -15.606   1.787  -3.568
  236   HG21  ILE  28          1HG2      ILE  28 -12.499   0.647  -1.819
  237   HG22  ILE  28          2HG2      ILE  28 -13.266   1.701  -0.637
  238   HG23  ILE  28          3HG2      ILE  28 -11.846   2.251  -1.520
  239   HD11  ILE  28          3HD1      ILE  28 -15.350  -0.617  -3.694
  240   HD12  ILE  28          1HD1      ILE  28 -13.863  -0.550  -2.753
  241   HD13  ILE  28          2HD1      ILE  28 -13.909   0.128  -4.381
  242    H    SER  29           H        SER  29 -13.147   4.294  -0.075
  243    HA   SER  29           HA       SER  29 -10.930   5.949  -1.197
  244    HB2  SER  29           2HB      SER  29 -12.552   6.453   1.321
  245    HB3  SER  29           1HB      SER  29 -11.158   7.392   0.791
  246    HG   SER  29           HG       SER  29 -13.742   7.217  -0.291
  247    H    TYR  30           H        TYR  30  -8.989   5.897   0.054
  248    HA   TYR  30           HA       TYR  30  -8.772   3.818   2.156
  249    HB2  TYR  30           2HB      TYR  30  -6.761   2.892   1.037
  250    HB3  TYR  30           1HB      TYR  30  -8.215   2.676   0.061
  251    HD1  TYR  30           2HD      TYR  30  -5.058   4.604   0.403
  252    HD2  TYR  30           1HD      TYR  30  -8.536   3.928  -2.037
  253    HE1  TYR  30           2HE      TYR  30  -4.009   5.867  -1.451
  254    HE2  TYR  30           1HE      TYR  30  -7.480   5.195  -3.886
  255    HH   TYR  30           HH       TYR  30  -5.151   5.782  -4.614
  256    H    SER  31           H        SER  31  -6.985   4.051   3.510
  257    HA   SER  31           HA       SER  31  -5.223   6.391   3.228
  258    HB2  SER  31           2HB      SER  31  -5.867   7.351   5.368
  259    HB3  SER  31           1HB      SER  31  -7.304   7.228   4.355
  260    HG   SER  31           HG       SER  31  -8.065   5.671   5.603
  261    H    PHE  32           H        PHE  32  -3.563   6.429   4.884
  262    HA   PHE  32           HA       PHE  32  -3.084   3.924   6.378
  263    HB2  PHE  32           2HB      PHE  32  -0.762   3.817   5.381
  264    HB3  PHE  32           1HB      PHE  32  -2.050   3.452   4.235
  265    HD1  PHE  32           2HD      PHE  32   0.218   6.196   5.416
  266    HD2  PHE  32           1HD      PHE  32  -2.377   4.835   2.261
  267    HE1  PHE  32           2HE      PHE  32   0.989   8.050   3.975
  268    HE2  PHE  32           1HE      PHE  32  -1.600   6.699   0.831
  269    HZ   PHE  32           HZ       PHE  32   0.082   8.304   1.684
  270    H    ASP  33           H        ASP  33  -1.695   4.182   8.113
  271    HA   ASP  33           HA       ASP  33  -1.478   6.815   9.225
  272    HB2  ASP  33           2HB      ASP  33  -1.761   4.787  10.609
  273    HB3  ASP  33           1HB      ASP  33  -0.174   4.218  10.100
  274    H    ARG  34           H        ARG  34   0.762   4.647   7.538
  275    HA   ARG  34           HA       ARG  34   2.588   6.830   6.955
  276    HB2  ARG  34           2HB      ARG  34   4.570   5.417   7.943
  277    HB3  ARG  34           1HB      ARG  34   3.600   6.375   9.061
  278    HG2  ARG  34           2HG      ARG  34   2.297   4.417   9.722
  279    HG3  ARG  34           1HG      ARG  34   3.093   3.422   8.508
  280    HD2  ARG  34           2HD      ARG  34   4.085   3.021  10.713
  281    HD3  ARG  34           1HD      ARG  34   5.263   3.784   9.646
  282    HE   ARG  34           HE       ARG  34   3.859   5.775  11.112
  283   HH11  ARG  34          1HH2      ARG  34   6.210   3.249  11.493
  284   HH12  ARG  34          2HH2      ARG  34   7.021   4.021  12.814
  285   HH21  ARG  34          1HH1      ARG  34   4.924   6.783  12.839
  286   HH22  ARG  34          2HH1      ARG  34   6.294   6.019  13.575
  287    H    GLY  35           H        GLY  35   2.041   6.314   4.839
  288    HA2  GLY  35           2HA      GLY  35   2.361   3.682   3.717
  289    HA3  GLY  35           1HA      GLY  35   2.062   5.177   2.839
  290    H    HIS  36           H        HIS  36   4.796   4.555   5.035
  291    HA   HIS  36           HA       HIS  36   6.672   4.314   2.774
  292    HB2  HIS  36           2HB      HIS  36   8.123   6.092   3.778
  293    HB3  HIS  36           1HB      HIS  36   6.583   6.730   3.198
  294    HD2  HIS  36           2HD      HIS  36   4.963   7.873   5.184
  295    HE1  HIS  36           1HE      HIS  36   7.318   6.750   8.504
  296    HE2  HIS  36           2HE      HIS  36   5.293   8.093   7.766
  297    H    VAL  37           H        VAL  37   8.356   3.021   3.258
  298    HA   VAL  37           HA       VAL  37   8.841   2.163   6.072
  299    HB   VAL  37           HB       VAL  37   9.234  -0.136   5.190
  300   HG11  VAL  37          1HG1      VAL  37   7.036   0.470   6.142
  301   HG12  VAL  37          2HG1      VAL  37   6.853  -0.703   4.838
  302   HG13  VAL  37          3HG1      VAL  37   6.488   0.998   4.550
  303   HG21  VAL  37          3HG2      VAL  37   8.128   1.032   2.601
  304   HG22  VAL  37          1HG2      VAL  37   8.405  -0.685   2.897
  305   HG23  VAL  37          2HG2      VAL  37   9.767   0.430   2.843
  306    H    THR  38           H        THR  38  11.019   1.237   6.358
  307    HA   THR  38           HA       THR  38  13.030   2.692   4.718
  308    HB   THR  38           HB       THR  38  13.326   1.385   7.462
  309    HG1  THR  38           1HG      THR  38  12.045   2.992   7.951
  310   HG21  THR  38          3HG2      THR  38  15.311   2.817   7.629
  311   HG22  THR  38          1HG2      THR  38  14.969   3.504   6.042
  312   HG23  THR  38          2HG2      THR  38  15.438   1.810   6.187
  313    H    ILE  39           H        ILE  39  14.474   1.563   3.517
  314    HA   ILE  39           HA       ILE  39  14.589  -1.411   3.733
  315    HB   ILE  39           HB       ILE  39  14.991  -1.413   1.296
  316   HG12  ILE  39          2HG1      ILE  39  14.387   1.568   1.436
  317   HG13  ILE  39          1HG1      ILE  39  15.983   0.901   1.136
  318   HG21  ILE  39          1HG2      ILE  39  12.475   0.144   2.022
  319   HG22  ILE  39          2HG2      ILE  39  12.666  -1.588   2.248
  320   HG23  ILE  39          3HG2      ILE  39  12.686  -0.914   0.627
  321   HD11  ILE  39          3HD1      ILE  39  15.035  -0.267  -0.885
  322   HD12  ILE  39          1HD1      ILE  39  15.019   1.494  -0.984
  323   HD13  ILE  39          2HD1      ILE  39  13.536   0.623  -0.614
  324    H    VAL  40           H        VAL  40  16.549  -2.392   3.548
  325    HA   VAL  40           HA       VAL  40  19.002  -0.682   3.512
  326    HB   VAL  40           HB       VAL  40  18.453  -3.052   5.335
  327   HG11  VAL  40          1HG1      VAL  40  20.813  -1.143   5.145
  328   HG12  VAL  40          2HG1      VAL  40  20.839  -2.862   4.753
  329   HG13  VAL  40          3HG1      VAL  40  20.590  -2.344   6.414
  330   HG21  VAL  40          3HG2      VAL  40  18.604  -0.071   5.924
  331   HG22  VAL  40          1HG2      VAL  40  18.460  -1.340   7.141
  332   HG23  VAL  40          2HG2      VAL  40  17.151  -1.065   5.994
  333    H    GLY  41           H        GLY  41  20.593  -1.391   2.219
  334    HA2  GLY  41           2HA      GLY  41  21.450  -3.913   1.605
  335    HA3  GLY  41           1HA      GLY  41  20.137  -3.655   0.460
  336    H    SER  42           H        SER  42  21.688  -3.771  -1.246
  337    HA   SER  42           HA       SER  42  23.860  -1.875  -1.479
  338    HB2  SER  42           2HB      SER  42  22.550  -3.653  -3.555
  339    HB3  SER  42           1HB      SER  42  24.063  -2.774  -3.767
  340    HG   SER  42           HG       SER  42  24.855  -4.570  -2.977
  341    H    GLN  43           H        GLN  43  23.963  -0.062  -2.833
  342    HA   GLN  43           HA       GLN  43  21.617   1.523  -3.045
  343    HB2  GLN  43           2HB      GLN  43  24.299   1.828  -4.433
  344    HB3  GLN  43           1HB      GLN  43  23.062   3.082  -4.336
  345    HG2  GLN  43           2HG      GLN  43  24.381   1.788  -1.920
  346    HG3  GLN  43           1HG      GLN  43  24.867   3.338  -2.603
  347   HE21  GLN  43          1HE2      GLN  43  22.827   1.926  -0.278
  348   HE22  GLN  43          2HE2      GLN  43  21.788   3.248  -0.036
  349    H    GLU  44           H        GLU  44  23.216  -0.670  -5.256
  350    HA   GLU  44           HA       GLU  44  22.042   0.151  -7.673
  351    HB2  GLU  44           2HB      GLU  44  22.834  -2.646  -6.801
  352    HB3  GLU  44           1HB      GLU  44  22.549  -2.133  -8.465
  353    HG2  GLU  44           2HG      GLU  44  24.385  -0.484  -8.269
  354    HG3  GLU  44           1HG      GLU  44  24.674  -1.005  -6.611
  355    H    ALA  45           H        ALA  45  20.918  -2.206  -5.256
  356    HA   ALA  45           HA       ALA  45  18.551  -2.965  -6.655
  357    HB1  ALA  45           1HB      ALA  45  17.871  -3.974  -4.535
  358    HB2  ALA  45           2HB      ALA  45  19.132  -3.084  -3.679
  359    HB3  ALA  45           3HB      ALA  45  19.570  -4.324  -4.854
  360    H    MET  46           H        MET  46  19.249  -0.500  -4.204
  361    HA   MET  46           HA       MET  46  16.555   0.313  -3.755
  362    HB2  MET  46           2HB      MET  46  19.187   1.792  -3.394
  363    HB3  MET  46           1HB      MET  46  17.632   2.404  -2.832
  364    HG2  MET  46           2HG      MET  46  17.353   0.382  -1.428
  365    HG3  MET  46           1HG      MET  46  18.922  -0.206  -1.973
  366    HE1  MET  46           3HE      MET  46  19.805  -0.507   0.295
  367    HE2  MET  46           1HE      MET  46  18.338   0.063   1.102
  368    HE3  MET  46           2HE      MET  46  19.912   0.702   1.570
  369    H    ASP  47           H        ASP  47  19.066   1.414  -6.017
  370    HA   ASP  47           HA       ASP  47  17.672   3.628  -7.067
  371    HB2  ASP  47           2HB      ASP  47  20.098   3.253  -7.342
  372    HB3  ASP  47           1HB      ASP  47  19.765   1.871  -8.381
  373    H    LYS  48           H        LYS  48  17.518   0.176  -7.796
  374    HA   LYS  48           HA       LYS  48  16.100   0.448 -10.279
  375    HB2  LYS  48           2HB      LYS  48  17.496  -1.555  -9.426
  376    HB3  LYS  48           1HB      LYS  48  16.102  -1.980  -8.442
  377    HG2  LYS  48           2HG      LYS  48  15.633  -3.255 -10.377
  378    HG3  LYS  48           1HG      LYS  48  14.771  -1.771 -10.767
  379    HD2  LYS  48           2HD      LYS  48  15.987  -2.119 -12.769
  380    HD3  LYS  48           1HD      LYS  48  17.096  -1.060 -11.904
  381    HE2  LYS  48           2HE      LYS  48  18.294  -3.127 -11.059
  382    HE3  LYS  48           1HE      LYS  48  17.261  -4.089 -12.112
  383    HZ1  LYS  48           3HZ      LYS  48  19.302  -2.088 -12.850
  384    HZ2  LYS  48           1HZ      LYS  48  18.063  -2.505 -13.931
  385    HZ3  LYS  48           2HZ      LYS  48  19.144  -3.695 -13.380
  386    H    ILE  49           H        ILE  49  15.232  -0.006  -6.900
  387    HA   ILE  49           HA       ILE  49  12.352  -0.199  -7.456
  388    HB   ILE  49           HB       ILE  49  13.850  -0.110  -4.802
  389   HG12  ILE  49          2HG1      ILE  49  12.746  -2.539  -6.299
  390   HG13  ILE  49          1HG1      ILE  49  14.444  -2.075  -6.328
  391   HG21  ILE  49          1HG2      ILE  49  11.735  -1.108  -3.908
  392   HG22  ILE  49          2HG2      ILE  49  11.006  -0.948  -5.503
  393   HG23  ILE  49          3HG2      ILE  49  11.454   0.489  -4.591
  394   HD11  ILE  49          3HD1      ILE  49  14.107  -3.797  -4.633
  395   HD12  ILE  49          1HD1      ILE  49  12.850  -2.832  -3.860
  396   HD13  ILE  49          2HD1      ILE  49  14.524  -2.275  -3.846
  397    H    ASP  50           H        ASP  50  11.206   1.596  -7.767
  398    HA   ASP  50           HA       ASP  50  12.084   4.210  -6.667
  399    HB2  ASP  50           2HB      ASP  50  11.646   4.025  -9.104
  400    HB3  ASP  50           1HB      ASP  50   9.982   3.558  -8.761
  401    H    SER  51           H        SER  51   9.633   1.776  -6.430
  402    HA   SER  51           HA       SER  51   8.521   2.851  -4.018
  403    HB2  SER  51           2HB      SER  51   6.756   2.976  -6.491
  404    HB3  SER  51           1HB      SER  51   6.232   3.273  -4.836
  405    HG   SER  51           HG       SER  51   7.076   5.048  -6.456
  406    H    ILE  52           H        ILE  52   6.294   1.583  -3.650
  407    HA   ILE  52           HA       ILE  52   6.641  -1.258  -4.506
  408    HB   ILE  52           HB       ILE  52   5.800  -0.216  -1.779
  409   HG12  ILE  52          2HG1      ILE  52   8.312  -1.739  -2.622
  410   HG13  ILE  52          1HG1      ILE  52   8.269  -0.003  -2.331
  411   HG21  ILE  52          1HG2      ILE  52   4.636  -2.312  -2.323
  412   HG22  ILE  52          2HG2      ILE  52   5.900  -2.670  -1.165
  413   HG23  ILE  52          3HG2      ILE  52   6.140  -3.046  -2.869
  414   HD11  ILE  52          3HD1      ILE  52   9.084  -1.103  -0.338
  415   HD12  ILE  52          1HD1      ILE  52   7.689  -2.176  -0.312
  416   HD13  ILE  52          2HD1      ILE  52   7.480  -0.454  -0.004
  417    H    THR  53           H        THR  53   4.902  -1.962  -5.588
  418    HA   THR  53           HA       THR  53   2.336  -0.487  -5.446
  419    HB   THR  53           HB       THR  53   3.202  -2.707  -7.349
  420    HG1  THR  53           1HG      THR  53   4.488  -0.907  -7.639
  421   HG21  THR  53          3HG2      THR  53   0.746  -2.409  -7.164
  422   HG22  THR  53          1HG2      THR  53   1.335  -1.857  -8.729
  423   HG23  THR  53          2HG2      THR  53   0.937  -0.684  -7.475
  424    H    VAL  54           H        VAL  54   0.636  -1.316  -4.327
  425    HA   VAL  54           HA       VAL  54   0.639  -4.191  -3.534
  426    HB   VAL  54           HB       VAL  54  -0.223  -1.793  -1.873
  427   HG11  VAL  54          1HG1      VAL  54  -0.353  -3.483  -0.041
  428   HG12  VAL  54          2HG1      VAL  54   0.004  -4.753  -1.211
  429   HG13  VAL  54          3HG1      VAL  54  -1.494  -3.834  -1.339
  430   HG21  VAL  54          3HG2      VAL  54   2.236  -1.895  -2.149
  431   HG22  VAL  54          1HG2      VAL  54   2.227  -3.577  -1.619
  432   HG23  VAL  54          2HG2      VAL  54   1.764  -2.291  -0.503
  433    HA   PRO  55           HA       PRO  55  -3.439  -3.051  -5.472
  434    HB2  PRO  55           2HB      PRO  55  -3.786  -5.114  -7.171
  435    HB3  PRO  55           1HB      PRO  55  -2.580  -3.853  -7.530
  436    HG2  PRO  55           2HG      PRO  55  -2.143  -6.582  -6.329
  437    HG3  PRO  55           1HG      PRO  55  -1.229  -5.776  -7.625
  438    HD2  PRO  55           2HD      PRO  55  -0.428  -5.783  -4.948
  439    HD3  PRO  55           1HD      PRO  55   0.051  -4.518  -6.101
  440    H    VAL  56           H        VAL  56  -5.471  -3.668  -4.806
  441    HA   VAL  56           HA       VAL  56  -5.824  -6.259  -3.377
  442    HB   VAL  56           HB       VAL  56  -5.288  -4.524  -1.711
  443   HG11  VAL  56          1HG1      VAL  56  -7.819  -3.109  -2.634
  444   HG12  VAL  56          2HG1      VAL  56  -6.183  -2.573  -3.017
  445   HG13  VAL  56          3HG1      VAL  56  -6.731  -2.602  -1.341
  446   HG21  VAL  56          3HG2      VAL  56  -7.203  -4.900  -0.235
  447   HG22  VAL  56          1HG2      VAL  56  -6.876  -6.370  -1.151
  448   HG23  VAL  56          2HG2      VAL  56  -8.223  -5.327  -1.606
  449    H    ASP  57           H        ASP  57  -7.694  -7.242  -3.768
  450    HA   ASP  57           HA       ASP  57  -9.439  -6.349  -5.843
  451    HB2  ASP  57           2HB      ASP  57  -9.816  -8.538  -3.769
  452    HB3  ASP  57           1HB      ASP  57 -10.803  -8.332  -5.215
  453    H    ILE  58           H        ILE  58 -11.202  -5.046  -5.721
  454    HA   ILE  58           HA       ILE  58 -12.204  -4.184  -3.059
  455    HB   ILE  58           HB       ILE  58 -13.215  -2.293  -4.349
  456   HG12  ILE  58          2HG1      ILE  58 -11.624  -3.384  -6.721
  457   HG13  ILE  58          1HG1      ILE  58 -13.362  -3.576  -6.562
  458   HG21  ILE  58          1HG2      ILE  58 -10.233  -2.686  -4.797
  459   HG22  ILE  58          2HG2      ILE  58 -10.973  -2.079  -3.316
  460   HG23  ILE  58          3HG2      ILE  58 -11.077  -1.139  -4.802
  461   HD11  ILE  58          3HD1      ILE  58 -12.836  -1.646  -7.980
  462   HD12  ILE  58          1HD1      ILE  58 -11.903  -0.922  -6.670
  463   HD13  ILE  58          2HD1      ILE  58 -13.646  -1.133  -6.500
  464    H    SER  59           H        SER  59 -12.973  -6.223  -5.642
  465    HA   SER  59           HA       SER  59 -15.764  -5.914  -5.845
  466    HB2  SER  59           2HB      SER  59 -14.430  -7.215  -7.445
  467    HB3  SER  59           1HB      SER  59 -14.096  -8.416  -6.199
  468    HG   SER  59           HG       SER  59 -15.906  -9.274  -6.821
  469    H    GLN  60           H        GLN  60 -13.806  -7.905  -3.642
  470    HA   GLN  60           HA       GLN  60 -16.136  -9.085  -2.348
  471    HB2  GLN  60           2HB      GLN  60 -13.794 -10.157  -2.755
  472    HB3  GLN  60           1HB      GLN  60 -13.250  -9.203  -1.382
  473    HG2  GLN  60           2HG      GLN  60 -13.857 -11.369  -0.504
  474    HG3  GLN  60           1HG      GLN  60 -15.155 -10.279  -0.032
  475   HE21  GLN  60          1HE2      GLN  60 -14.326 -12.444  -2.808
  476   HE22  GLN  60          2HE2      GLN  60 -15.910 -13.018  -3.017
  477    H    VAL  61           H        VAL  61 -14.571  -6.115  -2.158
  478    HA   VAL  61           HA       VAL  61 -14.957  -5.709   0.744
  479    HB   VAL  61           HB       VAL  61 -13.933  -3.788  -1.385
  480   HG11  VAL  61          1HG1      VAL  61 -12.986  -2.581   0.592
  481   HG12  VAL  61          2HG1      VAL  61 -13.823  -3.713   1.653
  482   HG13  VAL  61          3HG1      VAL  61 -14.746  -2.625   0.622
  483   HG21  VAL  61          3HG2      VAL  61 -12.426  -5.571   0.564
  484   HG22  VAL  61          1HG2      VAL  61 -11.688  -4.372  -0.499
  485   HG23  VAL  61          2HG2      VAL  61 -12.489  -5.783  -1.185
  486    H    THR  62           H        THR  62 -17.018  -5.333   1.322
  487    HA   THR  62           HA       THR  62 -18.616  -3.296  -0.165
  488    HB   THR  62           HB       THR  62 -20.614  -4.651   0.187
  489    HG1  THR  62           1HG      THR  62 -20.419  -6.699   1.096
  490   HG21  THR  62          3HG2      THR  62 -18.366  -6.281  -1.041
  491   HG22  THR  62          1HG2      THR  62 -19.296  -5.035  -1.873
  492   HG23  THR  62          2HG2      THR  62 -20.088  -6.515  -1.335
  493    H    GLU  63           H        GLU  63 -17.078  -4.011   2.637
  494    HA   GLU  63           HA       GLU  63 -18.816  -2.210   4.227
  495    HB2  GLU  63           2HB      GLU  63 -17.743  -4.873   5.253
  496    HB3  GLU  63           1HB      GLU  63 -18.634  -3.682   6.198
  497    HG2  GLU  63           2HG      GLU  63 -19.726  -5.191   3.796
  498    HG3  GLU  63           1HG      GLU  63 -20.093  -5.543   5.478
  499    H    ASP  64           H        ASP  64 -17.714  -1.104   5.877
  500    HA   ASP  64           HA       ASP  64 -15.033  -0.395   5.288
  501    HB2  ASP  64           2HB      ASP  64 -16.649   1.111   6.413
  502    HB3  ASP  64           1HB      ASP  64 -16.614   0.080   7.839
  503    H    THR  65           H        THR  65 -13.125  -1.156   6.041
  504    HA   THR  65           HA       THR  65 -12.818  -2.624   8.493
  505    HB   THR  65           HB       THR  65 -13.833  -4.434   7.211
  506    HG1  THR  65           1HG      THR  65 -11.238  -5.252   6.979
  507   HG21  THR  65          3HG2      THR  65 -13.302  -3.557   4.937
  508   HG22  THR  65          1HG2      THR  65 -12.847  -5.250   5.123
  509   HG23  THR  65          2HG2      THR  65 -11.612  -3.995   5.183
  510    H    SER  66           H        SER  66 -10.563  -3.845   8.343
  511    HA   SER  66           HA       SER  66  -8.577  -2.204   6.863
  512    HB2  SER  66           2HB      SER  66  -7.226  -1.923   8.872
  513    HB3  SER  66           1HB      SER  66  -8.830  -1.250   9.154
  514    HG   SER  66           HG       SER  66  -9.218  -3.572   9.937
  515    H    LYS  67           H        LYS  67  -6.667  -3.250   6.392
  516    HA   LYS  67           HA       LYS  67  -6.372  -6.117   7.168
  517    HB2  LYS  67           2HB      LYS  67  -6.202  -4.938   4.370
  518    HB3  LYS  67           1HB      LYS  67  -5.678  -6.570   4.790
  519    HG2  LYS  67           2HG      LYS  67  -7.960  -7.127   5.533
  520    HG3  LYS  67           1HG      LYS  67  -8.499  -5.494   5.128
  521    HD2  LYS  67           2HD      LYS  67  -7.936  -5.851   2.767
  522    HD3  LYS  67           1HD      LYS  67  -7.284  -7.449   3.133
  523    HE2  LYS  67           2HE      LYS  67  -9.561  -7.615   2.226
  524    HE3  LYS  67           1HE      LYS  67  -9.503  -8.188   3.892
  525    HZ1  LYS  67           3HZ      LYS  67 -10.622  -6.361   4.659
  526    HZ2  LYS  67           1HZ      LYS  67 -11.336  -6.518   3.128
  527    HZ3  LYS  67           2HZ      LYS  67 -10.115  -5.361   3.381
  528    H    THR  68           H        THR  68  -4.306  -6.771   7.470
  529    HA   THR  68           HA       THR  68  -2.154  -4.727   7.356
  530    HB   THR  68           HB       THR  68  -2.199  -7.472   8.679
  531    HG1  THR  68           1HG      THR  68  -3.306  -6.475  10.130
  532   HG21  THR  68          3HG2      THR  68  -0.273  -5.126   8.890
  533   HG22  THR  68          1HG2      THR  68   0.078  -6.698   8.168
  534   HG23  THR  68          2HG2      THR  68  -0.220  -6.571   9.899
  535    H    LEU  69           H        LEU  69  -0.738  -4.845   5.710
  536    HA   LEU  69           HA       LEU  69  -0.491  -7.359   4.107
  537    HB2  LEU  69           2HB      LEU  69  -0.220  -4.485   3.149
  538    HB3  LEU  69           1HB      LEU  69  -0.177  -5.941   2.150
  539    HG   LEU  69           HG       LEU  69  -2.575  -4.952   3.749
  540   HD11  LEU  69          1HD1      LEU  69  -3.562  -4.473   1.542
  541   HD12  LEU  69          2HD1      LEU  69  -2.080  -5.018   0.756
  542   HD13  LEU  69          3HD1      LEU  69  -2.063  -3.570   1.765
  543   HD21  LEU  69          3HD2      LEU  69  -3.798  -6.744   2.309
  544   HD22  LEU  69          1HD2      LEU  69  -2.817  -7.334   3.643
  545   HD23  LEU  69          2HD2      LEU  69  -2.193  -7.416   2.000
  546    H    GLU  70           H        GLU  70   1.517  -8.120   3.755
  547    HA   GLU  70           HA       GLU  70   3.821  -6.706   4.977
  548    HB2  GLU  70           2HB      GLU  70   3.499  -9.578   4.031
  549    HB3  GLU  70           1HB      GLU  70   4.945  -8.905   4.784
  550    HG2  GLU  70           2HG      GLU  70   3.711 -10.031   6.535
  551    HG3  GLU  70           1HG      GLU  70   3.516  -8.303   6.805
  552    H    LEU  71           H        LEU  71   5.530  -6.026   3.790
  553    HA   LEU  71           HA       LEU  71   5.367  -6.202   0.815
  554    HB2  LEU  71           2HB      LEU  71   7.027  -4.267   2.475
  555    HB3  LEU  71           1HB      LEU  71   6.598  -4.133   0.772
  556    HG   LEU  71           HG       LEU  71   4.694  -3.933   3.142
  557   HD11  LEU  71          1HD1      LEU  71   4.464  -1.589   2.450
  558   HD12  LEU  71          2HD1      LEU  71   5.608  -1.848   1.135
  559   HD13  LEU  71          3HD1      LEU  71   6.151  -1.960   2.810
  560   HD21  LEU  71          3HD2      LEU  71   4.162  -3.827   0.144
  561   HD22  LEU  71          1HD2      LEU  71   3.025  -3.218   1.349
  562   HD23  LEU  71          2HD2      LEU  71   3.442  -4.923   1.326
  563    H    LYS  72           H        LYS  72   6.920  -7.246  -0.303
  564    HA   LYS  72           HA       LYS  72   9.483  -8.010   1.041
  565    HB2  LYS  72           2HB      LYS  72   7.712  -9.734  -0.737
  566    HB3  LYS  72           1HB      LYS  72   9.311 -10.191  -0.145
  567    HG2  LYS  72           2HG      LYS  72   8.518 -10.010   2.183
  568    HG3  LYS  72           1HG      LYS  72   6.918  -9.535   1.609
  569    HD2  LYS  72           2HD      LYS  72   6.696 -11.707   0.437
  570    HD3  LYS  72           1HD      LYS  72   8.288 -12.183   1.028
  571    HE2  LYS  72           2HE      LYS  72   7.488 -11.986   3.358
  572    HE3  LYS  72           1HE      LYS  72   5.896 -11.504   2.771
  573    HZ1  LYS  72           3HZ      LYS  72   5.796 -13.804   3.216
  574    HZ2  LYS  72           1HZ      LYS  72   7.251 -14.114   2.403
  575    HZ3  LYS  72           2HZ      LYS  72   5.870 -13.660   1.524
  576    H    ALA  73           H        ALA  73  11.300  -7.830  -0.215
  577    HA   ALA  73           HA       ALA  73  11.104  -7.346  -3.119
  578    HB1  ALA  73           1HB      ALA  73  12.504  -5.315  -2.928
  579    HB2  ALA  73           2HB      ALA  73  12.422  -5.421  -1.169
  580    HB3  ALA  73           3HB      ALA  73  10.960  -5.101  -2.102
  581    H    GLU  74           H        GLU  74  12.761  -8.389  -4.133
  582    HA   GLU  74           HA       GLU  74  14.749  -9.789  -2.504
  583    HB2  GLU  74           2HB      GLU  74  14.174  -9.780  -5.487
  584    HB3  GLU  74           1HB      GLU  74  15.368 -10.815  -4.704
  585    HG2  GLU  74           2HG      GLU  74  13.603 -11.813  -3.300
  586    HG3  GLU  74           1HG      GLU  74  12.401 -10.767  -4.049
  587    H    GLY  75           H        GLY  75  16.548  -8.854  -1.921
  588    HA2  GLY  75           2HA      GLY  75  18.780  -8.183  -2.836
  589    HA3  GLY  75           1HA      GLY  75  17.949  -6.926  -3.740
  590    H    VAL  76           H        VAL  76  16.132  -6.634  -1.246
  591    HA   VAL  76           HA       VAL  76  18.022  -5.175   0.544
  592    HB   VAL  76           HB       VAL  76  16.426  -3.312   0.658
  593   HG11  VAL  76          1HG1      VAL  76  18.238  -3.221  -1.009
  594   HG12  VAL  76          2HG1      VAL  76  16.798  -2.403  -1.608
  595   HG13  VAL  76          3HG1      VAL  76  17.200  -4.019  -2.188
  596   HG21  VAL  76          3HG2      VAL  76  14.312  -4.467   0.167
  597   HG22  VAL  76          1HG2      VAL  76  14.879  -4.894  -1.446
  598   HG23  VAL  76          2HG2      VAL  76  14.549  -3.208  -1.039
  599    H    THR  77           H        THR  77  17.161  -4.784   2.675
  600    HA   THR  77           HA       THR  77  15.287  -6.921   3.579
  601    HB   THR  77           HB       THR  77  17.268  -5.242   5.171
  602    HG1  THR  77           1HG      THR  77  17.514  -7.478   3.649
  603   HG21  THR  77          3HG2      THR  77  15.602  -7.681   5.904
  604   HG22  THR  77          1HG2      THR  77  15.409  -6.055   6.562
  605   HG23  THR  77          2HG2      THR  77  16.862  -6.981   6.918
  606    H    VAL  78           H        VAL  78  13.256  -6.148   3.663
  607    HA   VAL  78           HA       VAL  78  12.717  -3.315   4.279
  608    HB   VAL  78           HB       VAL  78  10.669  -5.514   3.709
  609   HG11  VAL  78          1HG1      VAL  78   9.336  -3.626   2.870
  610   HG12  VAL  78          2HG1      VAL  78  10.654  -2.516   3.218
  611   HG13  VAL  78          3HG1      VAL  78   9.832  -3.340   4.534
  612   HG21  VAL  78          3HG2      VAL  78  10.814  -4.833   1.301
  613   HG22  VAL  78          1HG2      VAL  78  12.280  -5.628   1.871
  614   HG23  VAL  78          2HG2      VAL  78  12.244  -3.879   1.684
  615    H    GLN  79           H        GLN  79  12.109  -2.650   6.301
  616    HA   GLN  79           HA       GLN  79  10.707  -4.450   8.105
  617    HB2  GLN  79           2HB      GLN  79  12.371  -4.149   9.961
  618    HB3  GLN  79           1HB      GLN  79  12.957  -5.131   8.618
  619    HG2  GLN  79           2HG      GLN  79  14.134  -3.165   7.687
  620    HG3  GLN  79           1HG      GLN  79  13.566  -2.186   9.037
  621   HE21  GLN  79          1HE2      GLN  79  16.013  -4.435   8.035
  622   HE22  GLN  79          2HE2      GLN  79  16.785  -4.580   9.540
  623    HA   PRO  80           HA       PRO  80   9.638  -4.264  10.290
  624    HB2  PRO  80           2HB      PRO  80   7.094  -3.491  10.960
  625    HB3  PRO  80           1HB      PRO  80   8.511  -2.922  11.880
  626    HG2  PRO  80           2HG      PRO  80   7.077  -1.527   9.622
  627    HG3  PRO  80           1HG      PRO  80   7.478  -0.890  11.235
  628    HD2  PRO  80           2HD      PRO  80   9.083  -0.336   9.126
  629    HD3  PRO  80           1HD      PRO  80   9.799  -0.698  10.714
  630    H    SER  81           H        SER  81   8.654  -2.564   7.557
  631    HA   SER  81           HA       SER  81   7.647  -3.131   5.598
  632    HB2  SER  81           2HB      SER  81   9.308  -5.126   6.125
  633    HB3  SER  81           1HB      SER  81   7.832  -6.064   6.266
  634    HG   SER  81           HG       SER  81   7.274  -5.123   4.173
  635    H    THR  82           H        THR  82   5.974  -2.959   8.123
  636    HA   THR  82           HA       THR  82   3.521  -4.288   7.056
  637    HB   THR  82           HB       THR  82   2.781  -4.445   9.466
  638    HG1  THR  82           1HG      THR  82   4.750  -2.878   9.875
  639   HG21  THR  82          3HG2      THR  82   5.330  -5.924   8.714
  640   HG22  THR  82          1HG2      THR  82   3.672  -6.455   8.421
  641   HG23  THR  82          2HG2      THR  82   4.288  -6.355  10.071
  642    H    VAL  83           H        VAL  83   1.747  -3.005   6.967
  643    HA   VAL  83           HA       VAL  83   1.697  -0.367   8.278
  644    HB   VAL  83           HB       VAL  83   1.060   0.746   6.102
  645   HG11  VAL  83          1HG1      VAL  83   3.376   0.925   7.054
  646   HG12  VAL  83          2HG1      VAL  83   3.341   1.050   5.297
  647   HG13  VAL  83          3HG1      VAL  83   3.860  -0.449   6.060
  648   HG21  VAL  83          3HG2      VAL  83   0.447  -1.280   4.827
  649   HG22  VAL  83          1HG2      VAL  83   2.118  -1.839   4.892
  650   HG23  VAL  83          2HG2      VAL  83   1.707  -0.384   3.986
  651    H    LYS  84           H        LYS  84  -0.395   0.327   8.687
  652    HA   LYS  84           HA       LYS  84  -2.526  -1.664   8.238
  653    HB2  LYS  84           2HB      LYS  84  -2.078  -0.740  10.515
  654    HB3  LYS  84           1HB      LYS  84  -2.508   0.864   9.937
  655    HG2  LYS  84           2HG      LYS  84  -4.765   0.012   9.311
  656    HG3  LYS  84           1HG      LYS  84  -4.329  -1.571   9.943
  657    HD2  LYS  84           2HD      LYS  84  -4.325   0.977  11.619
  658    HD3  LYS  84           1HD      LYS  84  -5.695  -0.122  11.532
  659    HE2  LYS  84           2HE      LYS  84  -4.085  -1.979  12.316
  660    HE3  LYS  84           1HE      LYS  84  -2.956  -0.684  12.713
  661    HZ1  LYS  84           3HZ      LYS  84  -4.164  -1.032  14.648
  662    HZ2  LYS  84           1HZ      LYS  84  -5.640  -1.182  13.826
  663    HZ3  LYS  84           2HZ      LYS  84  -4.893   0.338  13.957
  664    H    VAL  85           H        VAL  85  -4.102  -1.312   6.795
  665    HA   VAL  85           HA       VAL  85  -4.410   1.383   5.532
  666    HB   VAL  85           HB       VAL  85  -4.728  -1.340   4.213
  667   HG11  VAL  85          1HG1      VAL  85  -4.818   0.018   2.121
  668   HG12  VAL  85          2HG1      VAL  85  -4.784   1.485   3.098
  669   HG13  VAL  85          3HG1      VAL  85  -6.155   0.386   3.207
  670   HG21  VAL  85          3HG2      VAL  85  -2.364  -0.885   4.731
  671   HG22  VAL  85          1HG2      VAL  85  -2.495   0.710   3.989
  672   HG23  VAL  85          2HG2      VAL  85  -2.643  -0.741   2.997
  673    H    ASN  86           H        ASN  86  -6.346   2.218   5.931
  674    HA   ASN  86           HA       ASN  86  -8.625   0.478   6.718
  675    HB2  ASN  86           2HB      ASN  86  -8.201   3.477   6.934
  676    HB3  ASN  86           1HB      ASN  86  -9.633   2.611   7.488
  677   HD21  ASN  86          1HD2      ASN  86  -7.510   4.135   9.071
  678   HD22  ASN  86          2HD2      ASN  86  -6.961   3.017  10.224
  679    H    LEU  87           H        LEU  87 -10.126   0.041   5.214
  680    HA   LEU  87           HA       LEU  87 -10.349   1.730   2.763
  681    HB2  LEU  87           2HB      LEU  87 -11.287  -1.129   3.206
  682    HB3  LEU  87           1HB      LEU  87 -11.243  -0.253   1.675
  683    HG   LEU  87           HG       LEU  87  -8.809  -1.007   3.341
  684   HD11  LEU  87          1HD1      LEU  87  -8.354  -2.617   1.520
  685   HD12  LEU  87          2HD1      LEU  87  -9.851  -2.138   0.721
  686   HD13  LEU  87          3HD1      LEU  87  -9.908  -2.954   2.284
  687   HD21  LEU  87          3HD2      LEU  87  -8.244   0.985   2.102
  688   HD22  LEU  87          1HD2      LEU  87  -9.092   0.420   0.663
  689   HD23  LEU  87          2HD2      LEU  87  -7.585  -0.346   1.169
  690    H    LYS  88           H        LYS  88 -11.906   3.226   3.135
  691    HA   LYS  88           HA       LYS  88 -14.328   2.560   4.656
  692    HB2  LYS  88           2HB      LYS  88 -13.419   5.108   3.266
  693    HB3  LYS  88           1HB      LYS  88 -14.870   4.956   4.262
  694    HG2  LYS  88           2HG      LYS  88 -13.481   4.318   6.203
  695    HG3  LYS  88           1HG      LYS  88 -12.028   4.463   5.212
  696    HD2  LYS  88           2HD      LYS  88 -12.552   6.863   4.823
  697    HD3  LYS  88           1HD      LYS  88 -13.973   6.706   5.856
  698    HE2  LYS  88           2HE      LYS  88 -11.098   6.244   6.713
  699    HE3  LYS  88           1HE      LYS  88 -12.089   7.643   7.131
  700    HZ1  LYS  88           3HZ      LYS  88 -12.370   6.293   8.950
  701    HZ2  LYS  88           1HZ      LYS  88 -12.328   4.858   8.045
  702    HZ3  LYS  88           2HZ      LYS  88 -13.710   5.847   8.007
  703    H    VAL  89           H        VAL  89 -16.196   1.982   3.722
  704    HA   VAL  89           HA       VAL  89 -16.434   1.997   0.756
  705    HB   VAL  89           HB       VAL  89 -18.037   0.427   2.820
  706   HG11  VAL  89          1HG1      VAL  89 -18.683  -0.938   0.861
  707   HG12  VAL  89          2HG1      VAL  89 -17.745   0.121  -0.191
  708   HG13  VAL  89          3HG1      VAL  89 -19.174   0.740   0.635
  709   HG21  VAL  89          3HG2      VAL  89 -15.672  -0.246   2.898
  710   HG22  VAL  89          1HG2      VAL  89 -15.636  -0.396   1.141
  711   HG23  VAL  89          2HG2      VAL  89 -16.618  -1.502   2.105
  712    H    THR  90           H        THR  90 -17.921   3.278  -0.191
  713    HA   THR  90           HA       THR  90 -19.734   4.916   1.500
  714    HB   THR  90           HB       THR  90 -18.958   5.240  -1.427
  715    HG1  THR  90           1HG      THR  90 -17.238   6.149  -0.701
  716   HG21  THR  90          3HG2      THR  90 -20.337   7.098   0.545
  717   HG22  THR  90          1HG2      THR  90 -21.079   6.351  -0.872
  718   HG23  THR  90          2HG2      THR  90 -19.810   7.555  -1.075
  719    H    GLN  91           H        GLN  91 -21.799   4.255   1.636
  720    HA   GLN  91           HA       GLN  91 -22.893   2.247  -0.168
  721    HB2  GLN  91           2HB      GLN  91 -24.233   3.766   2.105
  722    HB3  GLN  91           1HB      GLN  91 -24.822   2.293   1.331
  723    HG2  GLN  91           2HG      GLN  91 -22.219   2.533   2.881
  724    HG3  GLN  91           1HG      GLN  91 -23.705   1.822   3.499
  725   HE21  GLN  91          1HE2      GLN  91 -20.781   0.949   2.208
  726   HE22  GLN  91          2HE2      GLN  91 -21.216  -0.536   1.513
  727    H    LYS  92           H        LYS  92 -24.217   2.618  -1.866
  728    HA   LYS  92           HA       LYS  92 -24.529   5.125  -3.042
  729    HB2  LYS  92           2HB      LYS  92 -26.272   4.040  -4.451
  730    HB3  LYS  92           1HB      LYS  92 -24.821   3.050  -4.299
  731    HG2  LYS  92           2HG      LYS  92 -25.915   1.727  -2.507
  732    HG3  LYS  92           1HG      LYS  92 -27.381   2.690  -2.692
  733    HD2  LYS  92           2HD      LYS  92 -27.594   1.957  -5.032
  734    HD3  LYS  92           1HD      LYS  92 -26.122   0.999  -4.875
  735    HE2  LYS  92           2HE      LYS  92 -28.129  -0.414  -4.585
  736    HE3  LYS  92           1HE      LYS  92 -27.187  -0.349  -3.095
  737    HZ1  LYS  92           3HZ      LYS  92 -28.693   1.093  -2.111
  738    HZ2  LYS  92           1HZ      LYS  92 -29.698   0.014  -2.949
  739    HZ3  LYS  92           2HZ      LYS  92 -29.386   1.556  -3.590
  740    H    LEU  93           H        LEU  93 -26.141   6.685  -3.047
  741    HA   LEU  93           HA       LEU  93 -27.739   6.928  -0.660
  742    HB2  LEU  93           2HB      LEU  93 -27.440   8.566  -3.189
  743    HB3  LEU  93           1HB      LEU  93 -28.663   8.987  -2.000
  744    HG   LEU  93           HG       LEU  93 -26.541  10.288  -1.734
  745   HD11  LEU  93          1HD1      LEU  93 -28.102   9.601   0.266
  746   HD12  LEU  93          2HD1      LEU  93 -26.521  10.294   0.600
  747   HD13  LEU  93          3HD1      LEU  93 -26.759   8.558   0.745
  748   HD21  LEU  93          3HD2      LEU  93 -25.251   7.677  -0.865
  749   HD22  LEU  93          1HD2      LEU  93 -24.488   9.259  -1.019
  750   HD23  LEU  93          2HD2      LEU  93 -25.017   8.392  -2.461
  751    H    GLU  94           H        GLU  94 -29.965   6.871  -0.458
  752    HA   GLU  94           HA       GLU  94 -31.337   4.915  -2.050
  753    HB2  GLU  94           2HB      GLU  94 -32.348   6.844   0.068
  754    HB3  GLU  94           1HB      GLU  94 -33.274   5.498  -0.597
  755    HG2  GLU  94           2HG      GLU  94 -31.585   3.907   0.227
  756    HG3  GLU  94           1HG      GLU  94 -30.620   5.238   0.861
  757    H    HIS  95           H        HIS  95 -30.504   7.948  -2.857
  758    HA   HIS  95           HA       HIS  95 -32.853   9.211  -3.742
  759    HB2  HIS  95           2HB      HIS  95 -31.374  10.511  -5.218
  760    HB3  HIS  95           1HB      HIS  95 -30.667  10.347  -3.613
  761    HD2  HIS  95           2HD      HIS  95 -28.638  10.733  -6.220
  762    HE1  HIS  95           1HE      HIS  95 -27.795   6.632  -5.678
  763    HE2  HIS  95           2HE      HIS  95 -26.989   8.782  -6.761
  764    H    HIS  96           H        HIS  96 -34.017   9.132  -5.649
  765    HA   HIS  96           HA       HIS  96 -34.085   6.661  -7.070
  766    HB2  HIS  96           2HB      HIS  96 -35.335   9.338  -7.785
  767    HB3  HIS  96           1HB      HIS  96 -35.777   7.772  -8.471
  768    HD2  HIS  96           2HD      HIS  96 -36.819   9.970  -5.547
  769    HE1  HIS  96           1HE      HIS  96 -38.067   6.068  -4.525
  770    HE2  HIS  96           2HE      HIS  96 -38.262   8.526  -3.919
  771    H    HIS  97           H        HIS  97 -32.949   6.021  -8.806
  772    HA   HIS  97           HA       HIS  97 -32.075   7.786 -10.894
  773    HB2  HIS  97           2HB      HIS  97 -30.372   8.309  -9.144
  774    HB3  HIS  97           1HB      HIS  97 -29.921   6.608  -9.094
  775    HD2  HIS  97           2HD      HIS  97 -29.691   9.637 -11.640
  776    HE1  HIS  97           1HE      HIS  97 -27.088   6.579 -12.943
  777    HE2  HIS  97           2HE      HIS  97 -27.854   8.962 -13.369
  778    H    HIS  98           H        HIS  98 -31.297   6.651 -12.695
  779    HA   HIS  98           HA       HIS  98 -30.671   3.858 -12.665
  780    HB2  HIS  98           2HB      HIS  98 -33.128   3.712 -12.289
  781    HB3  HIS  98           1HB      HIS  98 -33.399   4.635 -13.765
  782    HD2  HIS  98           2HD      HIS  98 -33.607   3.028 -16.007
  783    HE1  HIS  98           1HE      HIS  98 -31.754  -0.428 -14.443
  784    HE2  HIS  98           2HE      HIS  98 -32.953   0.540 -16.461
  785    H    HIS  99           H        HIS  99 -28.913   4.670 -13.847
  786    HA   HIS  99           HA       HIS  99 -27.723   5.279 -15.716
  787    HB2  HIS  99           2HB      HIS  99 -30.155   4.138 -17.131
  788    HB3  HIS  99           1HB      HIS  99 -28.561   4.384 -17.846
  789    HD2  HIS  99           2HD      HIS  99 -26.625   2.447 -17.124
  790    HE1  HIS  99           1HE      HIS  99 -29.179   0.108 -14.712
  791    HE2  HIS  99           2HE      HIS  99 -26.888   0.212 -15.800
  792    H    HIS 100           H        HIS 100 -28.184   6.366 -18.090
  793    HA   HIS 100           HA       HIS 100 -28.857   9.056 -17.536
  794    HB2  HIS 100           2HB      HIS 100 -28.698   9.358 -20.006
  795    HB3  HIS 100           1HB      HIS 100 -27.332   8.458 -19.351
  796    HD2  HIS 100           2HD      HIS 100 -30.502   7.783 -21.590
  797    HE1  HIS 100           1HE      HIS 100 -28.070   4.332 -21.652
  798    HE2  HIS 100           2HE      HIS 100 -30.130   5.427 -22.656
  Start of MODEL   10
    1    H1   LYS   1           1HT      LYS   1  39.853   4.940   8.133
    2    H2   LYS   1           2HT      LYS   1  38.799   4.366   6.929
    3    H3   LYS   1           3HT      LYS   1  38.227   4.633   8.507
    4    HA   LYS   1           HA       LYS   1  38.867   7.045   8.189
    5    HB2  LYS   1           2HB      LYS   1  38.925   6.031   5.321
    6    HB3  LYS   1           1HB      LYS   1  38.913   7.734   5.779
    7    HG2  LYS   1           2HG      LYS   1  41.033   7.424   7.009
    8    HG3  LYS   1           1HG      LYS   1  41.048   5.718   6.558
    9    HD2  LYS   1           2HD      LYS   1  41.130   6.348   4.166
   10    HD3  LYS   1           1HD      LYS   1  41.117   8.054   4.615
   11    HE2  LYS   1           2HE      LYS   1  43.240   7.752   5.838
   12    HE3  LYS   1           1HE      LYS   1  43.253   6.045   5.398
   13    HZ1  LYS   1           2HZ      LYS   1  44.146   8.247   3.901
   14    HZ2  LYS   1           3HZ      LYS   1  42.865   7.511   3.064
   15    HZ3  LYS   1           1HZ      LYS   1  44.224   6.596   3.505
   16    H    ILE   2           H        ILE   2  37.083   5.627   5.458
   17    HA   ILE   2           HA       ILE   2  34.698   7.079   6.019
   18    HB   ILE   2           HB       ILE   2  33.699   5.570   4.266
   19   HG12  ILE   2          2HG1      ILE   2  36.480   4.310   4.196
   20   HG13  ILE   2          1HG1      ILE   2  35.068   3.526   4.894
   21   HG21  ILE   2          1HG2      ILE   2  35.117   6.389   2.426
   22   HG22  ILE   2          2HG2      ILE   2  36.432   6.702   3.559
   23   HG23  ILE   2          3HG2      ILE   2  34.938   7.637   3.652
   24   HD11  ILE   2          3HD1      ILE   2  33.917   3.695   2.685
   25   HD12  ILE   2          1HD1      ILE   2  35.383   2.719   2.619
   26   HD13  ILE   2          2HD1      ILE   2  35.395   4.367   1.999
   27    H    SER   3           H        SER   3  35.958   4.046   7.111
   28    HA   SER   3           HA       SER   3  35.212   2.475   8.586
   29    HB2  SER   3           2HB      SER   3  33.894   3.200  10.411
   30    HB3  SER   3           1HB      SER   3  34.638   4.691   9.845
   31    HG   SER   3           HG       SER   3  32.012   3.874   9.815
   32    H    LEU   4           H        LEU   4  33.673   0.794   8.753
   33    HA   LEU   4           HA       LEU   4  32.049   0.450   6.408
   34    HB2  LEU   4           2HB      LEU   4  33.177  -1.428   7.526
   35    HB3  LEU   4           1HB      LEU   4  32.176  -1.197   8.955
   36    HG   LEU   4           HG       LEU   4  30.605  -1.508   6.394
   37   HD11  LEU   4          1HD1      LEU   4  32.384  -3.130   5.932
   38   HD12  LEU   4          2HD1      LEU   4  30.870  -3.958   6.295
   39   HD13  LEU   4          3HD1      LEU   4  32.141  -3.871   7.515
   40   HD21  LEU   4          3HD2      LEU   4  30.391  -2.938   9.076
   41   HD22  LEU   4          1HD2      LEU   4  29.175  -2.909   7.796
   42   HD23  LEU   4          2HD2      LEU   4  29.559  -1.438   8.682
   43    H    ARG   5           H        ARG   5  29.833   0.405   6.224
   44    HA   ARG   5           HA       ARG   5  28.015   0.790   8.397
   45    HB2  ARG   5           2HB      ARG   5  27.297   3.102   7.768
   46    HB3  ARG   5           1HB      ARG   5  28.935   3.051   8.415
   47    HG2  ARG   5           2HG      ARG   5  29.835   3.049   6.088
   48    HG3  ARG   5           1HG      ARG   5  28.189   3.162   5.466
   49    HD2  ARG   5           2HD      ARG   5  27.881   5.292   6.692
   50    HD3  ARG   5           1HD      ARG   5  29.540   5.173   7.277
   51    HE   ARG   5           HE       ARG   5  30.281   5.901   5.201
   52   HH11  ARG   5          1HH2      ARG   5  26.999   4.786   4.969
   53   HH12  ARG   5          2HH2      ARG   5  26.802   5.295   3.326
   54   HH21  ARG   5          1HH1      ARG   5  30.014   6.568   3.045
   55   HH22  ARG   5          2HH1      ARG   5  28.505   6.301   2.239
   56    H    LYS   6           H        LYS   6  25.897   0.518   7.759
   57    HA   LYS   6           HA       LYS   6  25.478  -0.419   4.991
   58    HB2  LYS   6           2HB      LYS   6  23.344  -1.305   5.896
   59    HB3  LYS   6           1HB      LYS   6  24.744  -1.902   6.787
   60    HG2  LYS   6           2HG      LYS   6  24.357  -0.168   8.530
   61    HG3  LYS   6           1HG      LYS   6  22.927   0.380   7.656
   62    HD2  LYS   6           2HD      LYS   6  21.911  -1.856   7.905
   63    HD3  LYS   6           1HD      LYS   6  23.339  -2.410   8.778
   64    HE2  LYS   6           2HE      LYS   6  22.931  -0.724  10.530
   65    HE3  LYS   6           1HE      LYS   6  21.511  -0.149   9.656
   66    HZ1  LYS   6           3HZ      LYS   6  20.337  -1.699  10.675
   67    HZ2  LYS   6           1HZ      LYS   6  21.721  -2.311  11.442
   68    HZ3  LYS   6           2HZ      LYS   6  21.262  -2.906   9.917
   69    H    LEU   7           H        LEU   7  23.823   0.392   3.681
   70    HA   LEU   7           HA       LEU   7  23.145   3.213   4.133
   71    HB2  LEU   7           2HB      LEU   7  22.568   1.439   1.727
   72    HB3  LEU   7           1HB      LEU   7  22.493   3.204   1.791
   73    HG   LEU   7           HG       LEU   7  25.000   1.513   2.137
   74   HD11  LEU   7          1HD1      LEU   7  25.658   2.472  -0.039
   75   HD12  LEU   7          2HD1      LEU   7  24.119   3.326  -0.134
   76   HD13  LEU   7          3HD1      LEU   7  24.155   1.561  -0.180
   77   HD21  LEU   7          3HD2      LEU   7  24.536   4.518   2.280
   78   HD22  LEU   7          1HD2      LEU   7  26.121   3.850   1.883
   79   HD23  LEU   7          2HD2      LEU   7  25.383   3.486   3.433
   80    H    SER   8           H        SER   8  20.918   3.883   3.604
   81    HA   SER   8           HA       SER   8  18.770   1.970   3.861
   82    HB2  SER   8           2HB      SER   8  19.203   2.014   6.206
   83    HB3  SER   8           1HB      SER   8  19.529   3.743   6.193
   84    HG   SER   8           HG       SER   8  17.070   3.170   5.212
   85    H    LYS   9           H        LYS   9  16.887   2.815   3.157
   86    HA   LYS   9           HA       LYS   9  16.520   5.703   2.809
   87    HB2  LYS   9           2HB      LYS   9  16.718   3.748   0.482
   88    HB3  LYS   9           1HB      LYS   9  15.975   5.342   0.342
   89    HG2  LYS   9           2HG      LYS   9  18.127   6.376   1.086
   90    HG3  LYS   9           1HG      LYS   9  18.857   4.776   1.127
   91    HD2  LYS   9           2HD      LYS   9  18.433   4.469  -1.252
   92    HD3  LYS   9           1HD      LYS   9  17.664   6.056  -1.337
   93    HE2  LYS   9           2HE      LYS   9  20.549   5.509  -0.578
   94    HE3  LYS   9           1HE      LYS   9  19.997   6.195  -2.102
   95    HZ1  LYS   9           3HZ      LYS   9  18.839   7.738  -0.150
   96    HZ2  LYS   9           1HZ      LYS   9  20.152   8.169  -1.134
   97    HZ3  LYS   9           2HZ      LYS   9  20.428   7.480   0.394
   98    H    SER  10           H        SER  10  14.396   6.143   1.864
   99    HA   SER  10           HA       SER  10  12.324   4.129   2.651
  100    HB2  SER  10           2HB      SER  10  12.398   5.906   4.332
  101    HB3  SER  10           1HB      SER  10  12.279   7.130   3.068
  102    HG   SER  10           HG       SER  10  10.257   6.159   2.496
  103    H    VAL  11           H        VAL  11  10.694   3.821   1.212
  104    HA   VAL  11           HA       VAL  11  10.619   5.508  -1.245
  105    HB   VAL  11           HB       VAL  11   9.919   3.398  -2.448
  106   HG11  VAL  11          1HG1      VAL  11  12.620   3.287  -1.060
  107   HG12  VAL  11          2HG1      VAL  11  12.256   4.194  -2.529
  108   HG13  VAL  11          3HG1      VAL  11  12.187   2.433  -2.544
  109   HG21  VAL  11          3HG2      VAL  11  10.774   2.079   0.163
  110   HG22  VAL  11          1HG2      VAL  11  10.351   1.234  -1.325
  111   HG23  VAL  11          2HG2      VAL  11   9.124   2.138  -0.452
  112    HA   PRO  12           HA       PRO  12   6.315   5.989  -0.058
  113    HB2  PRO  12           2HB      PRO  12   5.182   6.895  -2.371
  114    HB3  PRO  12           1HB      PRO  12   6.366   7.881  -1.475
  115    HG2  PRO  12           2HG      PRO  12   6.847   6.078  -3.844
  116    HG3  PRO  12           1HG      PRO  12   7.342   7.773  -3.621
  117    HD2  PRO  12           2HD      PRO  12   9.087   5.737  -3.115
  118    HD3  PRO  12           1HD      PRO  12   9.081   7.201  -2.104
  119    H    VAL  13           H        VAL  13   4.467   4.748   0.003
  120    HA   VAL  13           HA       VAL  13   4.356   2.326  -1.732
  121    HB   VAL  13           HB       VAL  13   2.940   2.881   0.909
  122   HG11  VAL  13          1HG1      VAL  13   2.544   0.405   0.846
  123   HG12  VAL  13          2HG1      VAL  13   3.263   0.352  -0.762
  124   HG13  VAL  13          3HG1      VAL  13   1.758   1.230  -0.494
  125   HG21  VAL  13          3HG2      VAL  13   5.387   2.750   1.198
  126   HG22  VAL  13          1HG2      VAL  13   5.425   1.239   0.290
  127   HG23  VAL  13          2HG2      VAL  13   4.614   1.310   1.856
  128    H    LYS  14           H        LYS  14   2.676   2.063  -3.114
  129    HA   LYS  14           HA       LYS  14   0.369   3.969  -3.002
  130    HB2  LYS  14           2HB      LYS  14   1.820   2.930  -5.452
  131    HB3  LYS  14           1HB      LYS  14   0.378   3.948  -5.472
  132    HG2  LYS  14           2HG      LYS  14   1.673   5.686  -4.163
  133    HG3  LYS  14           1HG      LYS  14   3.116   4.693  -4.376
  134    HD2  LYS  14           2HD      LYS  14   1.442   5.865  -6.629
  135    HD3  LYS  14           1HD      LYS  14   2.978   6.508  -6.058
  136    HE2  LYS  14           2HE      LYS  14   3.993   4.197  -6.609
  137    HE3  LYS  14           1HE      LYS  14   2.501   3.879  -7.498
  138    HZ1  LYS  14           3HZ      LYS  14   3.594   6.443  -8.101
  139    HZ2  LYS  14           1HZ      LYS  14   3.132   5.190  -9.144
  140    HZ3  LYS  14           2HZ      LYS  14   4.682   5.187  -8.450
  141    H    LEU  15           H        LEU  15  -1.613   3.133  -3.539
  142    HA   LEU  15           HA       LEU  15  -1.835   0.158  -3.707
  143    HB2  LEU  15           2HB      LEU  15  -3.900   2.149  -2.680
  144    HB3  LEU  15           1HB      LEU  15  -3.975   0.388  -2.583
  145    HG   LEU  15           HG       LEU  15  -1.946   2.173  -1.185
  146   HD11  LEU  15          1HD1      LEU  15  -3.097   1.431   0.876
  147   HD12  LEU  15          2HD1      LEU  15  -4.253   0.521  -0.100
  148   HD13  LEU  15          3HD1      LEU  15  -4.200   2.283  -0.202
  149   HD21  LEU  15          3HD2      LEU  15  -2.215  -0.854  -1.338
  150   HD22  LEU  15          1HD2      LEU  15  -1.432  -0.079   0.044
  151   HD23  LEU  15          2HD2      LEU  15  -0.775   0.141  -1.570
  152    H    GLU  16           H        GLU  16  -2.816  -0.698  -5.429
  153    HA   GLU  16           HA       GLU  16  -4.161   1.117  -7.398
  154    HB2  GLU  16           2HB      GLU  16  -2.639  -1.475  -7.835
  155    HB3  GLU  16           1HB      GLU  16  -3.492  -0.575  -9.090
  156    HG2  GLU  16           2HG      GLU  16  -2.056   1.391  -8.656
  157    HG3  GLU  16           1HG      GLU  16  -1.196   0.487  -7.413
  158    H    LEU  17           H        LEU  17  -6.304   0.878  -7.260
  159    HA   LEU  17           HA       LEU  17  -7.590  -1.400  -6.089
  160    HB2  LEU  17           2HB      LEU  17  -8.830   0.750  -7.860
  161    HB3  LEU  17           1HB      LEU  17  -9.657  -0.264  -6.673
  162    HG   LEU  17           HG       LEU  17  -7.528   1.819  -6.047
  163   HD11  LEU  17          1HD1      LEU  17 -10.520   1.820  -5.543
  164   HD12  LEU  17          2HD1      LEU  17  -9.677   2.804  -6.739
  165   HD13  LEU  17          3HD1      LEU  17  -9.388   3.069  -5.021
  166   HD21  LEU  17          3HD2      LEU  17  -8.396   1.376  -3.631
  167   HD22  LEU  17          1HD2      LEU  17  -7.331   0.166  -4.331
  168   HD23  LEU  17          2HD2      LEU  17  -9.073  -0.120  -4.280
  169    H    THR  18           H        THR  18  -8.018  -3.296  -7.019
  170    HA   THR  18           HA       THR  18  -8.159  -3.512 -10.002
  171    HB   THR  18           HB       THR  18  -7.299  -5.811  -9.722
  172    HG1  THR  18           1HG      THR  18  -8.046  -5.610  -7.328
  173   HG21  THR  18          3HG2      THR  18  -4.987  -5.211  -9.215
  174   HG22  THR  18          1HG2      THR  18  -5.520  -3.759  -8.367
  175   HG23  THR  18          2HG2      THR  18  -5.733  -3.894 -10.115
  176    H    GLY  19           H        GLY  19  -9.916  -4.450 -10.827
  177    HA2  GLY  19           2HA      GLY  19 -11.666  -6.169 -10.704
  178    HA3  GLY  19           1HA      GLY  19 -11.911  -5.752  -9.011
  179    H    ASP  20           H        ASP  20 -14.000  -5.775 -10.767
  180    HA   ASP  20           HA       ASP  20 -14.572  -3.052 -11.688
  181    HB2  ASP  20           2HB      ASP  20 -16.291  -5.552 -11.622
  182    HB3  ASP  20           1HB      ASP  20 -16.712  -4.034 -12.417
  183    H    LYS  21           H        LYS  21 -15.898  -1.604 -10.655
  184    HA   LYS  21           HA       LYS  21 -16.326  -1.848  -7.854
  185    HB2  LYS  21           2HB      LYS  21 -17.481   0.075  -9.903
  186    HB3  LYS  21           1HB      LYS  21 -17.640   0.270  -8.161
  187    HG2  LYS  21           2HG      LYS  21 -15.177   0.336  -7.941
  188    HG3  LYS  21           1HG      LYS  21 -15.018   0.155  -9.689
  189    HD2  LYS  21           2HD      LYS  21 -16.251   2.272 -10.024
  190    HD3  LYS  21           1HD      LYS  21 -16.415   2.455  -8.278
  191    HE2  LYS  21           2HE      LYS  21 -13.956   2.528  -8.052
  192    HE3  LYS  21           1HE      LYS  21 -13.790   2.351  -9.799
  193    HZ1  LYS  21           3HZ      LYS  21 -13.675   4.622  -9.479
  194    HZ2  LYS  21           1HZ      LYS  21 -14.858   4.628  -8.265
  195    HZ3  LYS  21           2HZ      LYS  21 -15.308   4.397  -9.886
  196    H    ALA  22           H        ALA  22 -18.025  -2.650  -6.734
  197    HA   ALA  22           HA       ALA  22 -20.048  -4.185  -8.046
  198    HB1  ALA  22           1HB      ALA  22 -19.918  -3.284  -5.151
  199    HB2  ALA  22           2HB      ALA  22 -19.210  -4.759  -5.797
  200    HB3  ALA  22           3HB      ALA  22 -20.959  -4.547  -5.795
  201    H    SER  23           H        SER  23 -22.417  -3.860  -7.217
  202    HA   SER  23           HA       SER  23 -23.282  -1.269  -8.289
  203    HB2  SER  23           2HB      SER  23 -25.528  -2.238  -8.216
  204    HB3  SER  23           1HB      SER  23 -24.403  -3.346  -8.996
  205    HG   SER  23           HG       SER  23 -25.131  -4.694  -7.560
  206    H    ASN  24           H        ASN  24 -22.819  -2.718  -5.170
  207    HA   ASN  24           HA       ASN  24 -24.661  -0.930  -3.771
  208    HB2  ASN  24           2HB      ASN  24 -24.439  -3.210  -2.976
  209    HB3  ASN  24           1HB      ASN  24 -22.688  -3.062  -2.898
  210   HD21  ASN  24          1HD2      ASN  24 -21.764  -1.884  -1.122
  211   HD22  ASN  24          2HD2      ASN  24 -22.685  -1.429   0.220
  212    H    VAL  25           H        VAL  25 -21.306  -1.010  -4.720
  213    HA   VAL  25           HA       VAL  25 -20.549   1.075  -2.764
  214    HB   VAL  25           HB       VAL  25 -19.082  -0.913  -3.132
  215   HG11  VAL  25          1HG1      VAL  25 -17.890  -1.289  -5.171
  216   HG12  VAL  25          2HG1      VAL  25 -18.338   0.282  -5.828
  217   HG13  VAL  25          3HG1      VAL  25 -19.546  -0.983  -5.681
  218   HG21  VAL  25          3HG2      VAL  25 -16.982   0.347  -3.242
  219   HG22  VAL  25          1HG2      VAL  25 -18.165   1.256  -2.304
  220   HG23  VAL  25          2HG2      VAL  25 -17.809   1.725  -3.963
  221    H    SER  26           H        SER  26 -20.515   3.166  -3.297
  222    HA   SER  26           HA       SER  26 -20.911   4.020  -6.094
  223    HB2  SER  26           2HB      SER  26 -22.341   5.007  -4.350
  224    HB3  SER  26           1HB      SER  26 -20.914   5.583  -3.492
  225    HG   SER  26           HG       SER  26 -22.191   6.607  -5.666
  226    H    SER  27           H        SER  27 -18.600   4.223  -3.427
  227    HA   SER  27           HA       SER  27 -16.396   4.796  -5.224
  228    HB2  SER  27           2HB      SER  27 -17.319   7.060  -4.914
  229    HB3  SER  27           1HB      SER  27 -17.226   6.864  -3.166
  230    HG   SER  27           HG       SER  27 -15.045   6.865  -3.279
  231    H    ILE  28           H        ILE  28 -14.337   4.717  -4.129
  232    HA   ILE  28           HA       ILE  28 -14.375   3.476  -1.411
  233    HB   ILE  28           HB       ILE  28 -12.653   2.640  -3.782
  234   HG12  ILE  28          2HG1      ILE  28 -14.866   1.103  -2.353
  235   HG13  ILE  28          1HG1      ILE  28 -15.102   1.938  -3.886
  236   HG21  ILE  28          1HG2      ILE  28 -12.846   1.586  -0.920
  237   HG22  ILE  28          2HG2      ILE  28 -11.444   2.371  -1.642
  238   HG23  ILE  28          3HG2      ILE  28 -11.944   0.787  -2.208
  239   HD11  ILE  28          3HD1      ILE  28 -13.145  -0.316  -3.376
  240   HD12  ILE  28          1HD1      ILE  28 -13.310   0.549  -4.904
  241   HD13  ILE  28          2HD1      ILE  28 -14.646  -0.431  -4.293
  242    H    SER  29           H        SER  29 -12.897   4.251  -0.034
  243    HA   SER  29           HA       SER  29 -10.716   6.051  -1.012
  244    HB2  SER  29           2HB      SER  29 -12.489   6.461   1.413
  245    HB3  SER  29           1HB      SER  29 -11.107   7.461   0.970
  246    HG   SER  29           HG       SER  29 -13.208   8.234   0.248
  247    H    TYR  30           H        TYR  30  -8.837   6.063   0.298
  248    HA   TYR  30           HA       TYR  30  -8.618   4.042   2.445
  249    HB2  TYR  30           2HB      TYR  30  -6.601   3.079   1.398
  250    HB3  TYR  30           1HB      TYR  30  -8.025   2.838   0.388
  251    HD1  TYR  30           2HD      TYR  30  -8.338   4.126  -1.712
  252    HD2  TYR  30           1HD      TYR  30  -4.829   4.666   0.722
  253    HE1  TYR  30           2HE      TYR  30  -7.229   5.343  -3.568
  254    HE2  TYR  30           1HE      TYR  30  -3.735   5.885  -1.138
  255    HH   TYR  30           HH       TYR  30  -4.535   7.232  -3.173
  256    H    SER  31           H        SER  31  -6.779   4.306   3.753
  257    HA   SER  31           HA       SER  31  -5.097   6.693   3.405
  258    HB2  SER  31           2HB      SER  31  -5.715   7.665   5.540
  259    HB3  SER  31           1HB      SER  31  -7.181   7.465   4.582
  260    HG   SER  31           HG       SER  31  -7.560   5.525   5.734
  261    H    PHE  32           H        PHE  32  -3.418   6.809   5.063
  262    HA   PHE  32           HA       PHE  32  -2.818   4.314   6.519
  263    HB2  PHE  32           2HB      PHE  32  -0.477   4.364   5.480
  264    HB3  PHE  32           1HB      PHE  32  -1.772   3.844   4.402
  265    HD1  PHE  32           1HD      PHE  32   0.290   6.814   5.390
  266    HD2  PHE  32           2HD      PHE  32  -2.272   5.099   2.384
  267    HE1  PHE  32           1HE      PHE  32   0.856   8.660   3.844
  268    HE2  PHE  32           2HE      PHE  32  -1.695   6.955   0.848
  269    HZ   PHE  32           HZ       PHE  32  -0.131   8.732   1.575
  270    H    ASP  33           H        ASP  33  -1.412   4.599   8.225
  271    HA   ASP  33           HA       ASP  33  -1.302   7.227   9.380
  272    HB2  ASP  33           2HB      ASP  33   0.020   4.618  10.197
  273    HB3  ASP  33           1HB      ASP  33  -0.019   6.078  11.186
  274    H    ARG  34           H        ARG  34   0.998   5.171   7.647
  275    HA   ARG  34           HA       ARG  34   2.959   7.415   7.548
  276    HB2  ARG  34           2HB      ARG  34   3.533   4.473   8.048
  277    HB3  ARG  34           1HB      ARG  34   4.764   5.694   7.730
  278    HG2  ARG  34           2HG      ARG  34   4.047   6.946   9.731
  279    HG3  ARG  34           1HG      ARG  34   2.815   5.729  10.055
  280    HD2  ARG  34           2HD      ARG  34   4.558   4.007  10.293
  281    HD3  ARG  34           1HD      ARG  34   5.805   5.206   9.955
  282    HE   ARG  34           HE       ARG  34   4.449   4.798  12.459
  283   HH11  ARG  34          1HH2      ARG  34   5.907   7.189  10.403
  284   HH12  ARG  34          2HH2      ARG  34   6.281   8.272  11.703
  285   HH21  ARG  34          1HH1      ARG  34   4.942   6.221  14.155
  286   HH22  ARG  34          2HH1      ARG  34   5.736   7.725  13.819
  287    H    GLY  35           H        GLY  35   2.136   4.212   6.212
  288    HA2  GLY  35           2HA      GLY  35   2.115   3.412   4.057
  289    HA3  GLY  35           1HA      GLY  35   1.845   5.077   3.556
  290    H    HIS  36           H        HIS  36   4.697   4.316   5.401
  291    HA   HIS  36           HA       HIS  36   6.419   4.028   3.039
  292    HB2  HIS  36           2HB      HIS  36   7.874   5.886   3.700
  293    HB3  HIS  36           1HB      HIS  36   6.249   6.491   3.388
  294    HD2  HIS  36           2HD      HIS  36   5.341   8.079   5.468
  295    HE1  HIS  36           1HE      HIS  36   7.792   6.524   8.532
  296    HE2  HIS  36           2HE      HIS  36   6.005   8.243   7.988
  297    H    VAL  37           H        VAL  37   8.232   2.858   3.498
  298    HA   VAL  37           HA       VAL  37   8.875   2.193   6.337
  299    HB   VAL  37           HB       VAL  37   9.211  -0.168   5.648
  300   HG11  VAL  37          1HG1      VAL  37   7.065   0.563   6.651
  301   HG12  VAL  37          2HG1      VAL  37   6.819  -0.739   5.500
  302   HG13  VAL  37          3HG1      VAL  37   6.437   0.916   5.043
  303   HG21  VAL  37          3HG2      VAL  37   7.975   0.766   3.021
  304   HG22  VAL  37          1HG2      VAL  37   8.266  -0.918   3.457
  305   HG23  VAL  37          2HG2      VAL  37   9.623   0.180   3.234
  306    H    THR  38           H        THR  38  11.053   1.161   6.523
  307    HA   THR  38           HA       THR  38  12.965   2.558   4.744
  308    HB   THR  38           HB       THR  38  13.414   1.225   7.443
  309    HG1  THR  38           1HG      THR  38  12.479   2.946   8.150
  310   HG21  THR  38          3HG2      THR  38  15.489   2.603   7.422
  311   HG22  THR  38          1HG2      THR  38  15.110   3.123   5.781
  312   HG23  THR  38          2HG2      THR  38  15.474   1.428   6.110
  313    H    ILE  39           H        ILE  39  14.419   1.453   3.524
  314    HA   ILE  39           HA       ILE  39  14.407  -1.532   3.593
  315    HB   ILE  39           HB       ILE  39  14.781  -1.451   1.162
  316   HG12  ILE  39          2HG1      ILE  39  14.375   1.556   1.405
  317   HG13  ILE  39          1HG1      ILE  39  15.925   0.800   1.082
  318   HG21  ILE  39          1HG2      ILE  39  12.376   0.254   1.924
  319   HG22  ILE  39          2HG2      ILE  39  12.446  -1.489   2.134
  320   HG23  ILE  39          3HG2      ILE  39  12.520  -0.803   0.517
  321   HD11  ILE  39          3HD1      ILE  39  14.871  -0.241  -0.975
  322   HD12  ILE  39          1HD1      ILE  39  15.028   1.517  -1.017
  323   HD13  ILE  39          2HD1      ILE  39  13.465   0.782  -0.670
  324    H    VAL  40           H        VAL  40  16.384  -2.578   3.284
  325    HA   VAL  40           HA       VAL  40  18.848  -0.888   3.339
  326    HB   VAL  40           HB       VAL  40  18.289  -3.344   5.041
  327   HG11  VAL  40          1HG1      VAL  40  20.483  -2.712   6.111
  328   HG12  VAL  40          2HG1      VAL  40  20.712  -1.511   4.844
  329   HG13  VAL  40          3HG1      VAL  40  20.662  -3.226   4.438
  330   HG21  VAL  40          3HG2      VAL  40  18.383  -1.732   6.930
  331   HG22  VAL  40          1HG2      VAL  40  17.066  -1.347   5.823
  332   HG23  VAL  40          2HG2      VAL  40  18.555  -0.407   5.781
  333    H    GLY  41           H        GLY  41  20.389  -1.521   1.975
  334    HA2  GLY  41           2HA      GLY  41  21.164  -4.058   1.213
  335    HA3  GLY  41           1HA      GLY  41  19.900  -3.622   0.067
  336    H    SER  42           H        SER  42  21.644  -3.802  -1.513
  337    HA   SER  42           HA       SER  42  23.834  -1.926  -1.541
  338    HB2  SER  42           2HB      SER  42  23.966  -4.089  -2.704
  339    HB3  SER  42           1HB      SER  42  22.646  -3.608  -3.767
  340    HG   SER  42           HG       SER  42  24.324  -2.952  -4.911
  341    H    GLN  43           H        GLN  43  24.099  -0.178  -3.047
  342    HA   GLN  43           HA       GLN  43  21.882   1.562  -3.202
  343    HB2  GLN  43           2HB      GLN  43  24.258   2.300  -3.123
  344    HB3  GLN  43           1HB      GLN  43  24.490   1.672  -4.749
  345    HG2  GLN  43           2HG      GLN  43  24.113   4.087  -4.841
  346    HG3  GLN  43           1HG      GLN  43  22.751   3.264  -5.585
  347   HE21  GLN  43          1HE2      GLN  43  21.021   4.651  -5.093
  348   HE22  GLN  43          2HE2      GLN  43  20.615   5.142  -3.521
  349    H    GLU  44           H        GLU  44  23.334  -0.640  -5.580
  350    HA   GLU  44           HA       GLU  44  21.917   0.259  -7.832
  351    HB2  GLU  44           2HB      GLU  44  23.943  -1.224  -7.836
  352    HB3  GLU  44           1HB      GLU  44  22.938  -2.549  -7.254
  353    HG2  GLU  44           2HG      GLU  44  21.525  -2.360  -9.268
  354    HG3  GLU  44           1HG      GLU  44  22.516  -1.026  -9.837
  355    H    ALA  45           H        ALA  45  21.134  -2.144  -5.327
  356    HA   ALA  45           HA       ALA  45  18.808  -3.186  -6.567
  357    HB1  ALA  45           1HB      ALA  45  20.054  -4.298  -4.724
  358    HB2  ALA  45           2HB      ALA  45  18.338  -4.133  -4.368
  359    HB3  ALA  45           3HB      ALA  45  19.504  -3.043  -3.614
  360    H    MET  46           H        MET  46  19.306  -0.593  -4.168
  361    HA   MET  46           HA       MET  46  16.526   0.002  -3.825
  362    HB2  MET  46           2HB      MET  46  18.978   1.705  -3.280
  363    HB3  MET  46           1HB      MET  46  17.345   2.099  -2.754
  364    HG2  MET  46           2HG      MET  46  17.281  -0.101  -1.508
  365    HG3  MET  46           1HG      MET  46  18.986  -0.313  -1.902
  366    HE1  MET  46           3HE      MET  46  20.875   2.213   0.141
  367    HE2  MET  46           1HE      MET  46  20.398   2.559  -1.521
  368    HE3  MET  46           2HE      MET  46  20.868   0.927  -1.057
  369    H    ASP  47           H        ASP  47  19.060   1.306  -5.960
  370    HA   ASP  47           HA       ASP  47  17.656   3.499  -6.988
  371    HB2  ASP  47           2HB      ASP  47  20.077   3.112  -7.306
  372    HB3  ASP  47           1HB      ASP  47  19.718   1.745  -8.357
  373    H    LYS  48           H        LYS  48  17.508   0.064  -7.803
  374    HA   LYS  48           HA       LYS  48  16.046   0.386 -10.252
  375    HB2  LYS  48           2HB      LYS  48  17.401  -1.628  -9.670
  376    HB3  LYS  48           1HB      LYS  48  16.239  -2.012  -8.401
  377    HG2  LYS  48           2HG      LYS  48  14.459  -2.320 -10.042
  378    HG3  LYS  48           1HG      LYS  48  15.487  -1.721 -11.337
  379    HD2  LYS  48           2HD      LYS  48  15.364  -4.167 -11.434
  380    HD3  LYS  48           1HD      LYS  48  17.006  -3.659 -11.051
  381    HE2  LYS  48           2HE      LYS  48  16.049  -5.626  -9.663
  382    HE3  LYS  48           1HE      LYS  48  16.779  -4.314  -8.746
  383    HZ1  LYS  48           3HZ      LYS  48  13.886  -4.337  -9.351
  384    HZ2  LYS  48           1HZ      LYS  48  14.706  -3.487  -8.134
  385    HZ3  LYS  48           2HZ      LYS  48  14.516  -5.171  -8.010
  386    H    ILE  49           H        ILE  49  15.213   0.056  -6.852
  387    HA   ILE  49           HA       ILE  49  12.335  -0.223  -7.377
  388    HB   ILE  49           HB       ILE  49  13.814   0.136  -4.734
  389   HG12  ILE  49          2HG1      ILE  49  12.772  -2.437  -6.017
  390   HG13  ILE  49          1HG1      ILE  49  14.460  -1.946  -6.061
  391   HG21  ILE  49          1HG2      ILE  49  10.980  -0.791  -5.386
  392   HG22  ILE  49          2HG2      ILE  49  11.413   0.712  -4.575
  393   HG23  ILE  49          3HG2      ILE  49  11.696  -0.826  -3.774
  394   HD11  ILE  49          3HD1      ILE  49  14.120  -3.518  -4.229
  395   HD12  ILE  49          1HD1      ILE  49  12.839  -2.506  -3.562
  396   HD13  ILE  49          2HD1      ILE  49  14.504  -1.926  -3.573
  397    H    ASP  50           H        ASP  50  11.125   1.517  -7.801
  398    HA   ASP  50           HA       ASP  50  11.951   4.239  -6.889
  399    HB2  ASP  50           2HB      ASP  50  10.089   3.360  -9.123
  400    HB3  ASP  50           1HB      ASP  50  10.472   5.032  -8.717
  401    H    SER  51           H        SER  51   9.561   1.768  -6.643
  402    HA   SER  51           HA       SER  51   8.222   3.005  -4.443
  403    HB2  SER  51           2HB      SER  51   6.024   3.366  -5.460
  404    HB3  SER  51           1HB      SER  51   7.220   4.369  -6.272
  405    HG   SER  51           HG       SER  51   6.079   3.351  -7.861
  406    H    ILE  52           H        ILE  52   6.417   1.688  -3.677
  407    HA   ILE  52           HA       ILE  52   6.690  -1.185  -4.435
  408    HB   ILE  52           HB       ILE  52   5.591   0.016  -1.854
  409   HG12  ILE  52          2HG1      ILE  52   7.945   0.624  -2.010
  410   HG13  ILE  52          1HG1      ILE  52   7.779  -0.682  -0.843
  411   HG21  ILE  52          1HG2      ILE  52   4.790  -2.255  -2.330
  412   HG22  ILE  52          2HG2      ILE  52   5.930  -2.284  -0.986
  413   HG23  ILE  52          3HG2      ILE  52   6.445  -2.803  -2.593
  414   HD11  ILE  52          3HD1      ILE  52   8.375  -2.260  -2.857
  415   HD12  ILE  52          1HD1      ILE  52   9.662  -1.314  -2.118
  416   HD13  ILE  52          2HD1      ILE  52   8.939  -0.779  -3.632
  417    H    THR  53           H        THR  53   5.052  -1.955  -5.607
  418    HA   THR  53           HA       THR  53   2.411  -0.607  -5.612
  419    HB   THR  53           HB       THR  53   3.471  -2.843  -7.400
  420    HG1  THR  53           1HG      THR  53   4.364  -0.481  -7.313
  421   HG21  THR  53          3HG2      THR  53   1.127  -0.936  -7.676
  422   HG22  THR  53          1HG2      THR  53   1.006  -2.662  -7.344
  423   HG23  THR  53          2HG2      THR  53   1.634  -2.104  -8.893
  424    H    VAL  54           H        VAL  54   0.718  -1.511  -4.508
  425    HA   VAL  54           HA       VAL  54   0.809  -4.397  -3.800
  426    HB   VAL  54           HB       VAL  54  -0.075  -2.158  -1.954
  427   HG11  VAL  54          1HG1      VAL  54   0.312  -5.153  -1.545
  428   HG12  VAL  54          2HG1      VAL  54  -1.219  -4.280  -1.518
  429   HG13  VAL  54          3HG1      VAL  54  -0.024  -3.999  -0.260
  430   HG21  VAL  54          3HG2      VAL  54   2.501  -3.777  -1.987
  431   HG22  VAL  54          1HG2      VAL  54   2.004  -2.689  -0.693
  432   HG23  VAL  54          2HG2      VAL  54   2.350  -2.045  -2.290
  433    HA   PRO  55           HA       PRO  55  -3.266  -3.188  -5.640
  434    HB2  PRO  55           2HB      PRO  55  -3.791  -5.397  -7.127
  435    HB3  PRO  55           1HB      PRO  55  -2.607  -4.184  -7.667
  436    HG2  PRO  55           2HG      PRO  55  -2.116  -6.830  -6.321
  437    HG3  PRO  55           1HG      PRO  55  -1.270  -6.105  -7.706
  438    HD2  PRO  55           2HD      PRO  55  -0.303  -5.983  -5.102
  439    HD3  PRO  55           1HD      PRO  55   0.093  -4.758  -6.330
  440    H    VAL  56           H        VAL  56  -5.325  -3.636  -4.918
  441    HA   VAL  56           HA       VAL  56  -5.755  -5.998  -3.158
  442    HB   VAL  56           HB       VAL  56  -6.586  -3.132  -2.550
  443   HG11  VAL  56          1HG1      VAL  56  -8.269  -4.722  -1.727
  444   HG12  VAL  56          2HG1      VAL  56  -7.316  -4.156  -0.357
  445   HG13  VAL  56          3HG1      VAL  56  -7.006  -5.751  -1.042
  446   HG21  VAL  56          3HG2      VAL  56  -5.003  -3.372  -0.646
  447   HG22  VAL  56          1HG2      VAL  56  -4.182  -3.513  -2.200
  448   HG23  VAL  56          2HG2      VAL  56  -4.528  -4.959  -1.251
  449    H    ASP  57           H        ASP  57  -7.532  -7.070  -3.643
  450    HA   ASP  57           HA       ASP  57  -9.262  -6.294  -5.804
  451    HB2  ASP  57           2HB      ASP  57  -9.529  -8.513  -3.750
  452    HB3  ASP  57           1HB      ASP  57 -10.513  -8.356  -5.204
  453    H    ILE  58           H        ILE  58 -11.057  -5.058  -5.699
  454    HA   ILE  58           HA       ILE  58 -12.165  -4.284  -3.070
  455    HB   ILE  58           HB       ILE  58 -13.292  -2.482  -4.382
  456   HG12  ILE  58          2HG1      ILE  58 -11.600  -3.472  -6.720
  457   HG13  ILE  58          1HG1      ILE  58 -13.329  -3.757  -6.587
  458   HG21  ILE  58          1HG2      ILE  58 -11.084  -2.108  -3.314
  459   HG22  ILE  58          2HG2      ILE  58 -11.243  -1.166  -4.793
  460   HG23  ILE  58          3HG2      ILE  58 -10.286  -2.646  -4.792
  461   HD11  ILE  58          3HD1      ILE  58 -12.931  -1.805  -7.995
  462   HD12  ILE  58          1HD1      ILE  58 -11.986  -1.044  -6.718
  463   HD13  ILE  58          2HD1      ILE  58 -13.714  -1.303  -6.497
  464    H    SER  59           H        SER  59 -12.807  -6.353  -5.692
  465    HA   SER  59           HA       SER  59 -15.590  -6.221  -5.935
  466    HB2  SER  59           2HB      SER  59 -15.413  -8.530  -6.799
  467    HB3  SER  59           1HB      SER  59 -14.155  -7.492  -7.461
  468    HG   SER  59           HG       SER  59 -13.976  -9.484  -5.470
  469    H    GLN  60           H        GLN  60 -13.597  -7.990  -3.579
  470    HA   GLN  60           HA       GLN  60 -15.916  -9.233  -2.298
  471    HB2  GLN  60           2HB      GLN  60 -12.973  -9.221  -1.537
  472    HB3  GLN  60           1HB      GLN  60 -14.221 -10.241  -0.817
  473    HG2  GLN  60           2HG      GLN  60 -13.419 -10.280  -3.749
  474    HG3  GLN  60           1HG      GLN  60 -12.885 -11.447  -2.543
  475   HE21  GLN  60          1HE2      GLN  60 -15.050 -11.184  -5.002
  476   HE22  GLN  60          2HE2      GLN  60 -16.285 -12.191  -4.418
  477    H    VAL  61           H        VAL  61 -14.491  -6.205  -2.208
  478    HA   VAL  61           HA       VAL  61 -14.895  -5.746   0.687
  479    HB   VAL  61           HB       VAL  61 -13.915  -3.861  -1.485
  480   HG11  VAL  61          1HG1      VAL  61 -14.816  -2.645   0.443
  481   HG12  VAL  61          2HG1      VAL  61 -13.062  -2.537   0.462
  482   HG13  VAL  61          3HG1      VAL  61 -13.886  -3.654   1.549
  483   HG21  VAL  61          3HG2      VAL  61 -11.672  -4.312  -0.563
  484   HG22  VAL  61          1HG2      VAL  61 -12.404  -5.803  -1.151
  485   HG23  VAL  61          2HG2      VAL  61 -12.364  -5.465   0.580
  486    H    THR  62           H        THR  62 -16.961  -5.407   1.252
  487    HA   THR  62           HA       THR  62 -18.620  -3.482  -0.313
  488    HB   THR  62           HB       THR  62 -20.581  -4.876   0.127
  489    HG1  THR  62           1HG      THR  62 -18.668  -6.596   1.316
  490   HG21  THR  62          3HG2      THR  62 -19.268  -5.270  -1.945
  491   HG22  THR  62          1HG2      THR  62 -20.030  -6.751  -1.369
  492   HG23  THR  62          2HG2      THR  62 -18.310  -6.478  -1.093
  493    H    GLU  63           H        GLU  63 -17.013  -3.958   2.474
  494    HA   GLU  63           HA       GLU  63 -18.703  -2.072   3.936
  495    HB2  GLU  63           2HB      GLU  63 -19.482  -4.465   4.491
  496    HB3  GLU  63           1HB      GLU  63 -17.914  -4.705   5.254
  497    HG2  GLU  63           2HG      GLU  63 -19.524  -4.076   6.967
  498    HG3  GLU  63           1HG      GLU  63 -18.409  -2.736   6.752
  499    H    ASP  64           H        ASP  64 -17.622  -1.164   5.775
  500    HA   ASP  64           HA       ASP  64 -14.940  -0.464   5.286
  501    HB2  ASP  64           2HB      ASP  64 -16.528  -0.296   7.868
  502    HB3  ASP  64           1HB      ASP  64 -15.017   0.554   7.548
  503    H    THR  65           H        THR  65 -13.029  -1.257   5.991
  504    HA   THR  65           HA       THR  65 -12.744  -3.102   8.184
  505    HB   THR  65           HB       THR  65 -13.617  -4.713   6.580
  506    HG1  THR  65           1HG      THR  65 -11.015  -5.378   6.207
  507   HG21  THR  65          3HG2      THR  65 -11.423  -3.767   4.703
  508   HG22  THR  65          1HG2      THR  65 -13.142  -3.415   4.513
  509   HG23  THR  65          2HG2      THR  65 -12.563  -5.076   4.397
  510    H    SER  66           H        SER  66 -10.477  -3.900   8.335
  511    HA   SER  66           HA       SER  66  -8.487  -2.244   6.908
  512    HB2  SER  66           2HB      SER  66  -9.023  -1.011   8.984
  513    HB3  SER  66           1HB      SER  66  -8.665  -2.452   9.931
  514    HG   SER  66           HG       SER  66  -6.979  -0.664   8.671
  515    H    LYS  67           H        LYS  67  -6.563  -3.264   6.594
  516    HA   LYS  67           HA       LYS  67  -5.974  -5.771   8.021
  517    HB2  LYS  67           2HB      LYS  67  -7.400  -6.448   6.125
  518    HB3  LYS  67           1HB      LYS  67  -6.283  -5.663   5.010
  519    HG2  LYS  67           2HG      LYS  67  -4.504  -7.219   5.587
  520    HG3  LYS  67           1HG      LYS  67  -5.447  -7.888   6.917
  521    HD2  LYS  67           2HD      LYS  67  -5.462  -9.385   4.946
  522    HD3  LYS  67           1HD      LYS  67  -7.085  -8.818   5.333
  523    HE2  LYS  67           2HE      LYS  67  -7.106  -7.309   3.468
  524    HE3  LYS  67           1HE      LYS  67  -5.355  -7.421   3.256
  525    HZ1  LYS  67           3HZ      LYS  67  -6.370  -8.763   1.607
  526    HZ2  LYS  67           1HZ      LYS  67  -7.372  -9.532   2.739
  527    HZ3  LYS  67           2HZ      LYS  67  -5.699  -9.822   2.754
  528    H    THR  68           H        THR  68  -3.890  -6.384   7.978
  529    HA   THR  68           HA       THR  68  -1.954  -4.273   7.396
  530    HB   THR  68           HB       THR  68  -1.446  -7.079   8.462
  531    HG1  THR  68           1HG      THR  68  -1.243  -5.203  10.293
  532   HG21  THR  68          3HG2      THR  68   0.593  -5.984   7.613
  533   HG22  THR  68          1HG2      THR  68   0.618  -6.004   9.374
  534   HG23  THR  68          2HG2      THR  68   0.207  -4.520   8.517
  535    H    LEU  69           H        LEU  69  -0.550  -4.216   5.731
  536    HA   LEU  69           HA       LEU  69  -0.659  -6.379   3.675
  537    HB2  LEU  69           2HB      LEU  69   0.156  -3.466   3.332
  538    HB3  LEU  69           1HB      LEU  69  -0.136  -4.654   2.062
  539    HG   LEU  69           HG       LEU  69  -2.210  -3.540   3.990
  540   HD11  LEU  69          1HD1      LEU  69  -3.145  -2.431   2.028
  541   HD12  LEU  69          2HD1      LEU  69  -1.936  -3.170   0.986
  542   HD13  LEU  69          3HD1      LEU  69  -1.451  -1.975   2.188
  543   HD21  LEU  69          3HD2      LEU  69  -2.401  -5.697   1.848
  544   HD22  LEU  69          1HD2      LEU  69  -3.822  -4.777   2.353
  545   HD23  LEU  69          2HD2      LEU  69  -2.954  -5.763   3.522
  546    H    GLU  70           H        GLU  70   1.071  -7.674   3.802
  547    HA   GLU  70           HA       GLU  70   3.564  -6.848   4.982
  548    HB2  GLU  70           2HB      GLU  70   2.623  -9.173   5.114
  549    HB3  GLU  70           1HB      GLU  70   2.878  -9.345   3.380
  550    HG2  GLU  70           2HG      GLU  70   4.749 -10.367   4.536
  551    HG3  GLU  70           1HG      GLU  70   5.328  -8.902   3.756
  552    H    LEU  71           H        LEU  71   5.187  -5.867   3.950
  553    HA   LEU  71           HA       LEU  71   5.157  -5.644   0.979
  554    HB2  LEU  71           2HB      LEU  71   6.705  -3.975   2.998
  555    HB3  LEU  71           1HB      LEU  71   6.461  -3.624   1.286
  556    HG   LEU  71           HG       LEU  71   4.315  -3.686   3.445
  557   HD11  LEU  71          1HD1      LEU  71   5.478  -1.386   1.839
  558   HD12  LEU  71          2HD1      LEU  71   5.791  -1.717   3.540
  559   HD13  LEU  71          3HD1      LEU  71   4.173  -1.262   3.021
  560   HD21  LEU  71          3HD2      LEU  71   3.207  -4.387   1.438
  561   HD22  LEU  71          1HD2      LEU  71   4.113  -3.244   0.439
  562   HD23  LEU  71          2HD2      LEU  71   2.879  -2.669   1.563
  563    H    LYS  72           H        LYS  72   6.653  -6.666  -0.156
  564    HA   LYS  72           HA       LYS  72   9.225  -7.494   1.106
  565    HB2  LYS  72           2HB      LYS  72   9.029  -9.650  -0.125
  566    HB3  LYS  72           1HB      LYS  72   7.764  -9.454   1.084
  567    HG2  LYS  72           2HG      LYS  72   6.202  -8.686  -0.691
  568    HG3  LYS  72           1HG      LYS  72   7.461  -8.944  -1.898
  569    HD2  LYS  72           2HD      LYS  72   7.550 -11.339  -1.319
  570    HD3  LYS  72           1HD      LYS  72   6.306 -11.093  -0.091
  571    HE2  LYS  72           2HE      LYS  72   5.328 -11.969  -2.192
  572    HE3  LYS  72           1HE      LYS  72   4.720 -10.354  -1.827
  573    HZ1  LYS  72           3HZ      LYS  72   7.143 -10.470  -3.426
  574    HZ2  LYS  72           1HZ      LYS  72   5.793  -9.453  -3.572
  575    HZ3  LYS  72           2HZ      LYS  72   5.734 -11.036  -4.187
  576    H    ALA  73           H        ALA  73  11.002  -7.320  -0.198
  577    HA   ALA  73           HA       ALA  73  10.678  -6.637  -3.054
  578    HB1  ALA  73           1HB      ALA  73  12.350  -4.745  -2.670
  579    HB2  ALA  73           2HB      ALA  73  12.056  -4.944  -0.944
  580    HB3  ALA  73           3HB      ALA  73  10.739  -4.456  -2.006
  581    H    GLU  74           H        GLU  74  12.359  -7.341  -4.289
  582    HA   GLU  74           HA       GLU  74  14.134  -9.299  -3.075
  583    HB2  GLU  74           2HB      GLU  74  14.670  -9.873  -5.407
  584    HB3  GLU  74           1HB      GLU  74  12.931  -9.833  -5.116
  585    HG2  GLU  74           2HG      GLU  74  12.872  -7.507  -6.065
  586    HG3  GLU  74           1HG      GLU  74  14.580  -7.661  -6.463
  587    H    GLY  75           H        GLY  75  16.216  -9.198  -2.767
  588    HA2  GLY  75           2HA      GLY  75  18.460  -8.544  -3.036
  589    HA3  GLY  75           1HA      GLY  75  17.950  -7.196  -4.045
  590    H    VAL  76           H        VAL  76  15.915  -6.876  -1.551
  591    HA   VAL  76           HA       VAL  76  17.803  -5.489   0.285
  592    HB   VAL  76           HB       VAL  76  16.402  -3.523   0.385
  593   HG11  VAL  76          1HG1      VAL  76  16.633  -2.649  -1.892
  594   HG12  VAL  76          2HG1      VAL  76  16.780  -4.288  -2.524
  595   HG13  VAL  76          3HG1      VAL  76  18.036  -3.631  -1.480
  596   HG21  VAL  76          3HG2      VAL  76  14.379  -3.306  -1.175
  597   HG22  VAL  76          1HG2      VAL  76  14.159  -4.434   0.158
  598   HG23  VAL  76          2HG2      VAL  76  14.505  -5.043  -1.461
  599    H    THR  77           H        THR  77  16.814  -5.059   2.400
  600    HA   THR  77           HA       THR  77  14.799  -7.137   3.156
  601    HB   THR  77           HB       THR  77  16.904  -5.793   4.897
  602    HG1  THR  77           1HG      THR  77  17.040  -8.481   4.408
  603   HG21  THR  77          3HG2      THR  77  16.301  -7.622   6.485
  604   HG22  THR  77          1HG2      THR  77  15.008  -8.118   5.396
  605   HG23  THR  77          2HG2      THR  77  14.946  -6.541   6.183
  606    H    VAL  78           H        VAL  78  12.842  -6.222   3.389
  607    HA   VAL  78           HA       VAL  78  12.558  -3.377   4.103
  608    HB   VAL  78           HB       VAL  78  10.334  -5.407   3.565
  609   HG11  VAL  78          1HG1      VAL  78   9.068  -3.399   2.925
  610   HG12  VAL  78          2HG1      VAL  78  10.472  -2.389   3.248
  611   HG13  VAL  78          3HG1      VAL  78   9.679  -3.242   4.570
  612   HG21  VAL  78          3HG2      VAL  78  10.389  -4.583   1.196
  613   HG22  VAL  78          1HG2      VAL  78  11.832  -5.493   1.636
  614   HG23  VAL  78          2HG2      VAL  78  11.891  -3.739   1.555
  615    H    GLN  79           H        GLN  79  11.976  -2.693   6.145
  616    HA   GLN  79           HA       GLN  79  10.595  -4.490   7.953
  617    HB2  GLN  79           2HB      GLN  79  12.338  -4.262   9.767
  618    HB3  GLN  79           1HB      GLN  79  12.803  -5.287   8.406
  619    HG2  GLN  79           2HG      GLN  79  14.063  -3.419   7.406
  620    HG3  GLN  79           1HG      GLN  79  13.587  -2.377   8.746
  621   HE21  GLN  79          1HE2      GLN  79  15.831  -4.860   7.754
  622   HE22  GLN  79          2HE2      GLN  79  16.658  -4.981   9.231
  623    HA   PRO  80           HA       PRO  80   9.680  -4.356  10.193
  624    HB2  PRO  80           2HB      PRO  80   7.171  -3.585  10.994
  625    HB3  PRO  80           1HB      PRO  80   8.636  -3.107  11.890
  626    HG2  PRO  80           2HG      PRO  80   7.106  -1.534   9.823
  627    HG3  PRO  80           1HG      PRO  80   7.676  -1.002  11.421
  628    HD2  PRO  80           2HD      PRO  80   9.086  -0.410   9.160
  629    HD3  PRO  80           1HD      PRO  80   9.925  -0.783  10.683
  630    H    SER  81           H        SER  81   8.543  -2.557   7.570
  631    HA   SER  81           HA       SER  81   7.469  -3.076   5.630
  632    HB2  SER  81           2HB      SER  81   8.013  -5.146   4.718
  633    HB3  SER  81           1HB      SER  81   9.129  -5.129   6.068
  634    HG   SER  81           HG       SER  81   8.157  -6.942   6.524
  635    H    THR  82           H        THR  82   5.969  -2.958   8.234
  636    HA   THR  82           HA       THR  82   3.423  -4.171   7.281
  637    HB   THR  82           HB       THR  82   2.894  -4.585   9.701
  638    HG1  THR  82           1HG      THR  82   4.484  -3.061  10.462
  639   HG21  THR  82          3HG2      THR  82   3.736  -6.429   8.312
  640   HG22  THR  82          1HG2      THR  82   4.372  -6.565   9.951
  641   HG23  THR  82          2HG2      THR  82   5.393  -5.952   8.654
  642    H    VAL  83           H        VAL  83   1.718  -2.861   7.444
  643    HA   VAL  83           HA       VAL  83   1.739  -0.396   9.035
  644    HB   VAL  83           HB       VAL  83   1.119   1.008   7.043
  645   HG11  VAL  83          1HG1      VAL  83   3.494   0.905   7.968
  646   HG12  VAL  83          2HG1      VAL  83   3.380   1.400   6.282
  647   HG13  VAL  83          3HG1      VAL  83   3.876  -0.241   6.682
  648   HG21  VAL  83          3HG2      VAL  83   0.391  -0.784   5.519
  649   HG22  VAL  83          1HG2      VAL  83   2.025  -1.445   5.479
  650   HG23  VAL  83          2HG2      VAL  83   1.693   0.137   4.772
  651    H    LYS  84           H        LYS  84  -0.397   0.513   9.241
  652    HA   LYS  84           HA       LYS  84  -2.545  -1.483   8.793
  653    HB2  LYS  84           2HB      LYS  84  -2.399   1.010  10.531
  654    HB3  LYS  84           1HB      LYS  84  -3.788  -0.077  10.427
  655    HG2  LYS  84           2HG      LYS  84  -2.399  -1.949  11.233
  656    HG3  LYS  84           1HG      LYS  84  -1.000  -0.877  11.331
  657    HD2  LYS  84           2HD      LYS  84  -2.209   0.531  12.980
  658    HD3  LYS  84           1HD      LYS  84  -3.589  -0.564  12.889
  659    HE2  LYS  84           2HE      LYS  84  -0.793  -1.309  13.806
  660    HE3  LYS  84           1HE      LYS  84  -2.202  -1.101  14.847
  661    HZ1  LYS  84           3HZ      LYS  84  -1.849  -3.425  14.339
  662    HZ2  LYS  84           1HZ      LYS  84  -1.922  -3.106  12.674
  663    HZ3  LYS  84           2HZ      LYS  84  -3.304  -2.890  13.641
  664    H    VAL  85           H        VAL  85  -4.120  -1.094   7.358
  665    HA   VAL  85           HA       VAL  85  -4.414   1.629   6.165
  666    HB   VAL  85           HB       VAL  85  -4.589  -1.033   4.707
  667   HG11  VAL  85          1HG1      VAL  85  -6.057   0.674   3.727
  668   HG12  VAL  85          2HG1      VAL  85  -4.664   0.427   2.681
  669   HG13  VAL  85          3HG1      VAL  85  -4.738   1.842   3.730
  670   HG21  VAL  85          3HG2      VAL  85  -2.444   1.123   4.693
  671   HG22  VAL  85          1HG2      VAL  85  -2.488  -0.264   3.605
  672   HG23  VAL  85          2HG2      VAL  85  -2.273  -0.513   5.334
  673    H    ASN  86           H        ASN  86  -6.414   2.392   6.219
  674    HA   ASN  86           HA       ASN  86  -8.674   0.592   6.968
  675    HB2  ASN  86           2HB      ASN  86  -8.364   3.600   7.260
  676    HB3  ASN  86           1HB      ASN  86  -9.772   2.656   7.750
  677   HD21  ASN  86          1HD2      ASN  86  -7.731   4.243   9.406
  678   HD22  ASN  86          2HD2      ASN  86  -7.188   3.128  10.565
  679    H    LEU  87           H        LEU  87 -10.112   0.174   5.428
  680    HA   LEU  87           HA       LEU  87 -10.257   1.878   2.983
  681    HB2  LEU  87           2HB      LEU  87 -11.174  -1.001   3.352
  682    HB3  LEU  87           1HB      LEU  87 -11.033  -0.112   1.833
  683    HG   LEU  87           HG       LEU  87  -8.717  -0.864   3.660
  684   HD11  LEU  87          1HD1      LEU  87  -9.548  -1.951   0.951
  685   HD12  LEU  87          2HD1      LEU  87  -9.711  -2.798   2.491
  686   HD13  LEU  87          3HD1      LEU  87  -8.110  -2.428   1.855
  687   HD21  LEU  87          3HD2      LEU  87  -8.810   0.596   0.985
  688   HD22  LEU  87          1HD2      LEU  87  -7.336  -0.136   1.617
  689   HD23  LEU  87          2HD2      LEU  87  -8.106   1.174   2.494
  690    H    LYS  88           H        LYS  88 -11.890   3.307   3.184
  691    HA   LYS  88           HA       LYS  88 -14.347   2.607   4.644
  692    HB2  LYS  88           2HB      LYS  88 -13.430   5.169   3.285
  693    HB3  LYS  88           1HB      LYS  88 -14.922   4.989   4.209
  694    HG2  LYS  88           2HG      LYS  88 -13.628   4.401   6.219
  695    HG3  LYS  88           1HG      LYS  88 -12.124   4.552   5.309
  696    HD2  LYS  88           2HD      LYS  88 -12.632   6.936   4.870
  697    HD3  LYS  88           1HD      LYS  88 -14.127   6.783   5.794
  698    HE2  LYS  88           2HE      LYS  88 -11.328   6.338   6.885
  699    HE3  LYS  88           1HE      LYS  88 -12.336   7.754   7.184
  700    HZ1  LYS  88           3HZ      LYS  88 -12.653   5.008   8.171
  701    HZ2  LYS  88           1HZ      LYS  88 -14.037   5.964   7.956
  702    HZ3  LYS  88           2HZ      LYS  88 -12.804   6.479   9.007
  703    H    VAL  89           H        VAL  89 -16.112   1.921   3.628
  704    HA   VAL  89           HA       VAL  89 -16.260   1.952   0.667
  705    HB   VAL  89           HB       VAL  89 -17.896   0.332   2.673
  706   HG11  VAL  89          1HG1      VAL  89 -18.406  -1.060   0.688
  707   HG12  VAL  89          2HG1      VAL  89 -17.455   0.025  -0.322
  708   HG13  VAL  89          3HG1      VAL  89 -18.940   0.600   0.434
  709   HG21  VAL  89          3HG2      VAL  89 -15.534  -0.276   2.882
  710   HG22  VAL  89          1HG2      VAL  89 -15.366  -0.377   1.130
  711   HG23  VAL  89          2HG2      VAL  89 -16.365  -1.547   1.991
  712    H    THR  90           H        THR  90 -17.769   3.174  -0.337
  713    HA   THR  90           HA       THR  90 -19.669   4.756   1.311
  714    HB   THR  90           HB       THR  90 -18.867   5.073  -1.613
  715    HG1  THR  90           1HG      THR  90 -17.907   6.196   0.792
  716   HG21  THR  90          3HG2      THR  90 -21.044   6.100  -1.076
  717   HG22  THR  90          1HG2      THR  90 -19.825   7.349  -1.307
  718   HG23  THR  90          2HG2      THR  90 -20.332   6.906   0.321
  719    H    GLN  91           H        GLN  91 -21.691   3.955   1.453
  720    HA   GLN  91           HA       GLN  91 -22.660   1.856  -0.272
  721    HB2  GLN  91           2HB      GLN  91 -24.122   3.551   1.786
  722    HB3  GLN  91           1HB      GLN  91 -24.729   2.062   1.061
  723    HG2  GLN  91           2HG      GLN  91 -22.189   2.268   2.720
  724    HG3  GLN  91           1HG      GLN  91 -23.740   1.698   3.329
  725   HE21  GLN  91          1HE2      GLN  91 -20.832   0.562   2.179
  726   HE22  GLN  91          2HE2      GLN  91 -21.343  -0.942   1.580
  727    H    LYS  92           H        LYS  92 -23.964   2.010  -2.043
  728    HA   LYS  92           HA       LYS  92 -24.533   4.689  -3.122
  729    HB2  LYS  92           2HB      LYS  92 -23.531   2.866  -4.542
  730    HB3  LYS  92           1HB      LYS  92 -25.029   1.953  -4.369
  731    HG2  LYS  92           2HG      LYS  92 -26.294   3.785  -5.434
  732    HG3  LYS  92           1HG      LYS  92 -24.820   4.745  -5.559
  733    HD2  LYS  92           2HD      LYS  92 -23.818   3.010  -7.018
  734    HD3  LYS  92           1HD      LYS  92 -25.301   2.063  -6.901
  735    HE2  LYS  92           2HE      LYS  92 -26.571   3.907  -7.936
  736    HE3  LYS  92           1HE      LYS  92 -25.100   4.871  -8.044
  737    HZ1  LYS  92           3HZ      LYS  92 -24.139   3.220  -9.488
  738    HZ2  LYS  92           1HZ      LYS  92 -25.624   3.739 -10.126
  739    HZ3  LYS  92           2HZ      LYS  92 -25.516   2.235  -9.344
  740    H    LEU  93           H        LEU  93 -26.570   5.526  -3.399
  741    HA   LEU  93           HA       LEU  93 -28.981   3.935  -2.923
  742    HB2  LEU  93           2HB      LEU  93 -29.824   5.537  -1.196
  743    HB3  LEU  93           1HB      LEU  93 -28.495   4.529  -0.640
  744    HG   LEU  93           HG       LEU  93 -27.615   7.144  -1.867
  745   HD11  LEU  93          1HD1      LEU  93 -28.133   8.475   0.124
  746   HD12  LEU  93          2HD1      LEU  93 -29.055   7.126   0.794
  747   HD13  LEU  93          3HD1      LEU  93 -29.601   7.927  -0.681
  748   HD21  LEU  93          3HD2      LEU  93 -26.018   7.092  -0.037
  749   HD22  LEU  93          1HD2      LEU  93 -26.107   5.492  -0.764
  750   HD23  LEU  93          2HD2      LEU  93 -26.917   5.803   0.767
  751    H    GLU  94           H        GLU  94 -28.177   5.038  -5.240
  752    HA   GLU  94           HA       GLU  94 -30.277   7.022  -5.773
  753    HB2  GLU  94           2HB      GLU  94 -28.698   8.527  -6.968
  754    HB3  GLU  94           1HB      GLU  94 -28.356   8.440  -5.241
  755    HG2  GLU  94           2HG      GLU  94 -26.570   6.779  -5.683
  756    HG3  GLU  94           1HG      GLU  94 -26.887   6.897  -7.412
  757    H    HIS  95           H        HIS  95 -30.596   7.371  -8.093
  758    HA   HIS  95           HA       HIS  95 -29.452   5.421  -9.953
  759    HB2  HIS  95           2HB      HIS  95 -32.422   5.441  -9.308
  760    HB3  HIS  95           1HB      HIS  95 -31.643   4.488 -10.572
  761    HD2  HIS  95           2HD      HIS  95 -32.711   3.946  -7.013
  762    HE1  HIS  95           1HE      HIS  95 -29.393   1.384  -7.522
  763    HE2  HIS  95           2HE      HIS  95 -31.353   1.953  -6.011
  764    H    HIS  96           H        HIS  96 -29.767   5.985 -12.105
  765    HA   HIS  96           HA       HIS  96 -30.205   8.790 -12.612
  766    HB2  HIS  96           2HB      HIS  96 -29.796   6.474 -14.536
  767    HB3  HIS  96           1HB      HIS  96 -29.679   8.189 -14.939
  768    HD2  HIS  96           2HD      HIS  96 -27.433   5.394 -13.558
  769    HE1  HIS  96           1HE      HIS  96 -25.405   9.020 -12.810
  770    HE2  HIS  96           2HE      HIS  96 -25.183   6.490 -12.815
  771    H    HIS  97           H        HIS  97 -32.376   6.534 -11.916
  772    HA   HIS  97           HA       HIS  97 -34.605   6.198 -12.312
  773    HB2  HIS  97           2HB      HIS  97 -34.496   8.975 -13.540
  774    HB3  HIS  97           1HB      HIS  97 -35.928   8.147 -12.934
  775    HD2  HIS  97           2HD      HIS  97 -34.217   7.113 -10.089
  776    HE1  HIS  97           1HE      HIS  97 -34.243  11.266  -9.339
  777    HE2  HIS  97           2HE      HIS  97 -33.905   8.979  -8.292
  778    H    HIS  98           H        HIS  98 -34.911   4.598 -13.764
  779    HA   HIS  98           HA       HIS  98 -34.050   4.542 -16.423
  780    HB2  HIS  98           2HB      HIS  98 -35.683   2.677 -16.697
  781    HB3  HIS  98           1HB      HIS  98 -34.721   2.515 -15.229
  782    HD2  HIS  98           2HD      HIS  98 -36.165   3.212 -12.796
  783    HE1  HIS  98           1HE      HIS  98 -39.967   2.987 -14.615
  784    HE2  HIS  98           2HE      HIS  98 -38.745   3.150 -12.394
  785    H    HIS  99           H        HIS  99 -37.144   5.604 -15.049
  786    HA   HIS  99           HA       HIS  99 -38.511   6.038 -17.480
  787    HB2  HIS  99           2HB      HIS  99 -39.589   5.990 -15.229
  788    HB3  HIS  99           1HB      HIS  99 -38.842   7.541 -14.853
  789    HD2  HIS  99           2HD      HIS  99 -41.815   6.129 -16.967
  790    HE1  HIS  99           1HE      HIS  99 -41.779  10.322 -17.460
  791    HE2  HIS  99           2HE      HIS  99 -43.083   8.195 -17.937
  792    H    HIS 100           H        HIS 100 -37.782   7.313 -19.080
  793    HA   HIS 100           HA       HIS 100 -35.910   9.427 -18.771
  794    HB2  HIS 100           2HB      HIS 100 -37.839   8.873 -21.049
  795    HB3  HIS 100           1HB      HIS 100 -36.425   9.923 -21.130
  796    HD2  HIS 100           2HD      HIS 100 -37.280   6.200 -21.557
  797    HE1  HIS 100           1HE      HIS 100 -33.076   6.425 -21.236
  798    HE2  HIS 100           2HE      HIS 100 -35.026   4.903 -21.811