*HEADER   GLYCOSYLTRANSFERASE                     14-MAY-97   1AJ1    
*TITLE    NMR STRUCTURE OF THE LANTIBIOTIC ACTAGARDINE, 15 STRUCTURES 
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: ACTAGARDINE;                                     
*COMPND  3 CHAIN: NULL                                                
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: ACTINOPLANES LIGURIAE AND ACTINOPLANES
*SOURCE  3 GARBADINENSIS;                                             
*SOURCE  4 ATCC: 31048 AND 31049                                      
*KEYWDS   PEPTIDE ANTIBIOTIC, LANTIBIOTIC, TRANSGLYCOSYLASE           
*KEYWDS  2 INHIBITOR, MUREIN BIOSYNTHESIS INHIBITOR,                  
*KEYWDS  3 GLYCOSYLTRANSFERASE                                        
*EXPDTA   NMR, 15 STRUCTURES                                          
*AUTHOR   N.ZIMMERMANN,G.JUNG                                         
*REVDAT  1   15-OCT-97 1AJ1    0                                      
 
!BIOSYM restraint 1
!
#remote_prochiral_center
!
#chiral
1:LAN_1:CA         S
1:SER_2:CA         S
1:TRP_4:CA         S
1:VAL_5:CA         S
1:LAS_6:CA         R
1:MLA_7:CA         S
1:MLA_7:CB         S
1:LEU_8:CA         S
1:MLA_9:CA         S
1:MLA_9:CB         S
1:ILE_10:CA        S
1:ILE_10:CB        S
1:GLU_11:CA        S
1:LAS_12:CA        R
1:MLA_14:CA        S
1:MLA_14:CB        S
1:VAL_15:CA        S
1:ILE_16:CA        S
1:ILE_16:CB        S
1:LAS_17:CA        R
1:ALA_18:CA        S
1:LAS_19:CA        R
!
#distance
1:TRP_4:HBR        1:LAS_6:HBR         1.869  5.001 30.00 30.00 1000.000
1:MLA_14:HA        1:MLA_14:HG2*       2.200  4.200 30.00 30.00 1000.000
1:ILE_10:HA        1:ILE_10:HN         2.838  4.023 30.00 30.00 1000.000
1:ALA_18:HA        1:ALA_18:HN         2.530  3.539 30.00 30.00 1000.000
1:TRP_4:HBS        1:TRP_4:HN          3.131  4.605 30.00 30.00 1000.000
1:LAS_12:HN        1:LAS_6:HN          1.800  5.000 30.00 30.00 1000.000
!
#NOE_distance
1:ALA_18:HA        1:ALA_18:HB*        1.900  3.965  2.965 30.00 30.00 1000.000  0.00
1:ALA_18:HA        1:LAS_19:HA         2.734  2.842  2.842 30.00 30.00 1000.000  0.00
1:ALA_18:HA        1:LAS_19:HN         2.183  2.519  2.519 30.00 30.00 1000.000  0.00
1:ALA_18:HN        1:ALA_18:HB*        1.626  4.114  3.114 30.00 30.00 1000.000  0.00
1:GLU_11:HA        1:GLU_11:HBR        2.185  3.414  3.414 30.00 30.00 1000.000  0.00
1:GLU_11:HA        1:GLU_11:HBS        2.686  3.495  3.495 30.00 30.00 1000.000  0.00
1:GLU_11:HA        1:GLU_11:HG*        2.741  5.030  4.030 30.00 30.00 1000.000  0.00
1:GLU_11:HA        1:LAS_12:HN         2.525  3.039  3.039 30.00 30.00 1000.000  0.00
1:GLU_11:HBR       1:GLU_11:HN         3.457  3.862  3.862 30.00 30.00 1000.000  0.00
1:GLU_11:HG*       1:GLU_11:HN         2.800  5.117  4.117 30.00 30.00 1000.000  0.00
1:GLU_11:HN        1:GLU_11:HBS        2.893  3.295  3.295 30.00 30.00 1000.000  0.00
1:GLU_11:HN        1:ILE_10:HB         3.613  4.294  4.294 30.00 30.00 1000.000  0.00
1:GLU_11:HN        1:ILE_10:HG1*       3.762  6.062  5.062 30.00 30.00 1000.000  0.00
1:GLU_11:HN        1:ILE_10:HG2*       2.832  5.356  4.356 30.00 30.00 1000.000  0.00
1:GLU_11:HN        1:ILE_10:HN         3.578  3.746  3.746 30.00 30.00 1000.000  0.00
1:GLU_11:HN        1:LAS_12:HN         2.736  2.894  2.894 30.00 30.00 1000.000  0.00
1:GLY_13:HN        1:MLA_14:HG2*       3.569  5.057  4.557 30.00 30.00 1000.000  0.00
1:GLY_3:HA*        1:GLY_3:HN          2.714  2.914  2.914 30.00 30.00 1000.000  0.00
1:GLY_3:HA*        1:TRP_4:HN          2.983  3.070  3.070 30.00 30.00 1000.000  0.00
1:ILE_10:HA        1:ILE_10:HB         3.031  3.544  3.544 30.00 30.00 1000.000  0.00
1:ILE_10:HA        1:ILE_10:HG1*       3.412  4.903  4.603 30.00 30.00 1000.000  0.00
1:ILE_10:HN        1:ILE_10:HB         2.752  3.151  3.151 30.00 30.00 1000.000  0.00
1:ILE_10:HN        1:ILE_10:HG1*       3.072  4.483  3.983 30.00 30.00 1000.000  0.00
1:ILE_10:HN        1:ILE_10:HG2*       3.175  5.316  4.516 30.00 30.00 1000.000  0.00
1:ILE_10:HN        1:LEU_8:HN          3.147  3.196  3.196 30.00 30.00 1000.000  0.00
1:ILE_10:HN        1:MLA_9:HN          2.382  2.859  2.859 30.00 30.00 1000.000  0.00
1:ILE_16:HN        1:ILE_16:HB         2.280  2.631  2.631 30.00 30.00 1000.000  0.00
1:ILE_16:HN        1:ILE_16:HG1*       2.624  3.924  3.024 30.00 30.00 1000.000  0.00
1:ILE_16:HN        1:LAS_17:HN         2.783  2.879  2.879 30.00 30.00 1000.000  0.00
1:LAN_1:HA         1:LAS_6:HBR         2.652  4.343  4.043 30.00 30.00 1000.000  0.00
1:LAN_1:HB*        1:LAS_6:HBR         3.100  5.000  5.000 30.00 30.00 1000.000  0.00
1:LAN_1:HB*        1:MLA_7:HN          3.304  4.814  4.314 30.00 30.00 1000.000  0.00
1:LAN_1:HB*        1:SER_2:HN          2.618  4.014  3.114 30.00 30.00 1000.000  0.00
1:LAS_12:HA        1:LAS_12:HBR        2.453  2.765  2.765 30.00 30.00 1000.000  0.00
1:LAS_12:HA        1:LAS_12:HN         2.418  3.087  3.087 30.00 30.00 1000.000  0.00
1:LAS_12:HA        1:MLA_7:HG2*        1.700  3.395  2.895 30.00 30.00 1000.000  0.00
1:LAS_12:HBR       1:ILE_16:HB         1.951  4.667  3.457 30.00 30.00 1000.000  0.00
1:LAS_12:HBR       1:ILE_16:HG2*       2.719  4.818  3.818 30.00 30.00 1000.000  0.00
1:LAS_12:HBR       1:LAS_12:HBS        1.766  1.897  1.897 30.00 30.00 1000.000  0.00
1:LAS_12:HBR       1:LAS_12:HN         2.472  4.224  4.224 30.00 30.00 1000.000  0.00
1:LAS_12:HBR       1:LAS_17:HB*        3.848  5.000  5.000 30.00 30.00 1000.000  0.00
1:LAS_12:HBR       1:MLA_7:HG2*        1.940  3.165  2.665 30.00 30.00 1000.000  0.00
1:LAS_12:HBS       1:GLY_13:HN         3.012  5.000  5.000 30.00 30.00 1000.000  0.00
1:LAS_12:HBS       1:ILE_16:HB         3.404  4.429  4.429 30.00 30.00 1000.000  0.00
1:LAS_12:HBS       1:ILE_16:HG2*       4.322  6.000  5.000 30.00 30.00 1000.000  0.00
1:LAS_12:HBS       1:LAS_12:HN         2.230  2.635  2.635 30.00 30.00 1000.000  0.00
1:LAS_12:HBS       1:MLA_7:HG2*        3.472  5.207  4.707 30.00 30.00 1000.000  0.00
1:LAS_12:HBS       1:MLA_7:HN          3.375  6.558  6.558 30.00 30.00 1000.000  0.00
1:LAS_12:HN        1:GLY_13:HN         2.192  2.269  2.269 30.00 30.00 1000.000  0.00
1:LAS_17:HA        1:ALA_18:HB*        3.821  6.000  5.000 30.00 30.00 1000.000  0.00
1:LAS_17:HA        1:ALA_18:HN         2.145  2.532  2.532 30.00 30.00 1000.000  0.00
1:LAS_17:HA        1:ILE_16:HG2*       4.027  6.951  5.951 30.00 30.00 1000.000  0.00
1:LAS_17:HA        1:LAS_17:HB*        2.700  3.000  3.000 30.00 30.00 1000.000  0.00
1:LAS_17:HA        1:LAS_17:HN         2.827  3.229  3.229 30.00 30.00 1000.000  0.00
1:LAS_17:HA        1:MLA_9:HG2*        2.717  4.522  4.022 30.00 30.00 1000.000  0.00
1:LAS_17:HB*       1:ALA_18:HB*        3.520  6.000  5.000 30.00 30.00 1000.000  0.00
1:LAS_17:HB*       1:ALA_18:HN         2.414  2.737  2.737 30.00 30.00 1000.000  0.00
1:LAS_17:HB*       1:ILE_10:HG2*       1.656  6.876  4.476 30.00 30.00 1000.000  0.00
1:LAS_17:HB*       1:LAS_12:HBS        2.582  2.724  2.724 30.00 30.00 1000.000  0.00
1:LAS_17:HB*       1:LAS_17:HN         2.592  3.060  3.060 30.00 30.00 1000.000  0.00
1:LAS_17:HB*       1:LAS_19:HN         3.771  5.000  5.000 30.00 30.00 1000.000  0.00
1:LAS_17:HB*       1:MLA_9:HG2*        3.200  5.500  5.000 30.00 30.00 1000.000  0.00
1:LAS_17:HN        1:ILE_16:HB         2.620  3.035  3.035 30.00 30.00 1000.000  0.00
1:LAS_17:HN        1:ILE_16:HG2*       2.798  5.570  4.570 30.00 30.00 1000.000  0.00
1:LAS_19:HA        1:GLU_11:HG*        3.480  6.930  5.930 30.00 30.00 1000.000  0.00
1:LAS_19:HA        1:GLU_11:HN         3.288  4.177  4.177 30.00 30.00 1000.000  0.00
1:LAS_19:HA        1:LAS_19:HBS        2.900  3.676  3.676 30.00 30.00 1000.000  0.00
1:LAS_19:HBR       1:LAS_19:HN         2.897  3.153  3.153 30.00 30.00 1000.000  0.00
1:LAS_19:HBR       1:MLA_14:HG2*       2.470  3.775  3.275 30.00 30.00 1000.000  0.00
1:LAS_19:HBS       1:LAS_19:HBR        1.700  1.799  2.226 30.00 30.00 1000.000  0.00
1:LAS_19:HBS       1:LAS_19:HN         3.694  4.415  4.415 30.00 30.00 1000.000  0.00
1:LAS_19:HBS       1:MLA_14:HG2*       2.068  3.286  2.786 30.00 30.00 1000.000  0.00
1:LAS_19:HN        1:ALA_18:HB*        2.653  5.063  4.063 30.00 30.00 1000.000  0.00
1:LAS_6:HA         1:LAN_1:HA          3.079  5.000  5.000 30.00 30.00 1000.000  0.00
1:LAS_6:HA         1:LAN_1:HB*         2.622  3.911  3.411 30.00 30.00 1000.000  0.00
1:LAS_6:HA         1:LAS_6:HBR         2.743  3.174  3.174 30.00 30.00 1000.000  0.00
1:LAS_6:HA         1:LAS_6:HN          2.391  2.831  2.831 30.00 30.00 1000.000  0.00
1:LAS_6:HA         1:MLA_7:HG2*        3.045  4.808  4.108 30.00 30.00 1000.000  0.00
1:LAS_6:HA         1:MLA_7:HN          1.910  2.357  2.357 30.00 30.00 1000.000  0.00
1:LAS_6:HA         1:VAL_5:HB          4.388  5.705  5.705 30.00 30.00 1000.000  0.00
1:LAS_6:HA         1:VAL_5:HG*         2.308  7.200  4.800 30.00 30.00 1000.000  0.00
1:LAS_6:HBR        1:LAS_6:HN          3.111  3.741  3.541 30.00 30.00 1000.000  0.00
1:LAS_6:HBR        1:MLA_7:HG2*        2.472  4.022  3.522 30.00 30.00 1000.000  0.00
1:LAS_6:HBR        1:MLA_7:HN          2.713  3.277  3.277 30.00 30.00 1000.000  0.00
1:LAS_6:HBS        1:LAS_6:HBR         1.700  1.868  1.868 30.00 30.00 1000.000  0.00
1:LAS_6:HBS        1:LAS_6:HN          2.797  3.249  3.249 30.00 30.00 1000.000  0.00
1:LAS_6:HBS        1:MLA_7:HG2*        3.938  5.500  5.000 30.00 30.00 1000.000  0.00
1:LAS_6:HBS        1:MLA_7:HN          3.180  4.005  3.805 30.00 30.00 1000.000  0.00
1:LAS_6:HBS        1:VAL_5:HB          4.083  4.303  4.303 30.00 30.00 1000.000  0.00
1:LAS_6:HN         1:VAL_5:HB          2.289  3.123  2.923 30.00 30.00 1000.000  0.00
1:LEU_8:HA         1:LEU_8:HB*         2.026  3.135  2.635 30.00 30.00 1000.000  0.00
1:LEU_8:HA         1:LEU_8:HD*         2.323  5.827  3.927 30.00 30.00 1000.000  0.00
1:LEU_8:HA         1:MLA_9:HG2*        2.784  4.545  4.045 30.00 30.00 1000.000  0.00
1:LEU_8:HN         1:LEU_8:HB*         3.400  6.000  8.655 30.00 30.00 1000.000  0.00
1:MLA_14:HA        1:MLA_14:HN         2.638  3.033  3.033 30.00 30.00 1000.000  0.00
1:MLA_14:HA        1:VAL_15:HG*        2.367  7.809  5.409 30.00 30.00 1000.000  0.00
1:MLA_14:HA        1:VAL_15:HN         2.602  3.068  3.068 30.00 30.00 1000.000  0.00
1:MLA_14:HN        1:MLA_14:HG2*       2.017  3.847  3.347 30.00 30.00 1000.000  0.00
1:MLA_14:HN        1:VAL_15:HN         2.070  2.154  2.154 30.00 30.00 1000.000  0.00
1:MLA_7:HA         1:MLA_7:HN          2.605  3.198  3.198 30.00 30.00 1000.000  0.00
1:MLA_7:HB         1:ILE_16:HG2*       2.809  5.909  4.909 30.00 30.00 1000.000  0.00
1:MLA_7:HB         1:LAS_12:HBR        2.697  4.803  4.803 30.00 30.00 1000.000  0.00
1:MLA_7:HB         1:MLA_7:HG2*        2.400  2.600  3.528 30.00 30.00 1000.000  0.00
1:MLA_7:HN         1:MLA_7:HG2*        1.969  3.584  3.084 30.00 30.00 1000.000  0.00
1:MLA_9:HB         1:MLA_9:HG2*        1.911  4.048  3.548 30.00 30.00 1000.000  0.00
1:MLA_9:HN         1:LEU_8:HN          2.713  3.184  3.184 30.00 30.00 1000.000  0.00
1:MLA_9:HN         1:MLA_9:HG2*        2.447  4.013  3.513 30.00 30.00 1000.000  0.00
1:SER_2:HA         1:GLY_3:HN          2.407  2.674  2.674 30.00 30.00 1000.000  0.00
1:SER_2:HN         1:GLY_3:HN          2.833  3.246  3.246 30.00 30.00 1000.000  0.00
1:SER_2:HN         1:LAS_6:HN          2.765  3.540  3.540 30.00 30.00 1000.000  0.00
1:SER_2:HN         1:VAL_5:HG*         4.453  9.686  7.286 30.00 30.00 1000.000  0.00
1:TRP_4:HA         1:TRP_4:HBR         2.440  2.882  2.682 30.00 30.00 1000.000  0.00
1:TRP_4:HA         1:TRP_4:HBS         2.571  2.642  2.642 30.00 30.00 1000.000  0.00
1:TRP_4:HBR        1:TRP_4:HN          2.717  3.070  3.070 30.00 30.00 1000.000  0.00
1:TRP_4:HBR        1:VAL_5:HG*         2.384  7.350  4.950 30.00 30.00 1000.000  0.00
1:TRP_4:HBR        1:VAL_5:HN          3.487  4.211  4.211 30.00 30.00 1000.000  0.00
1:TRP_4:HBS        1:VAL_5:HN          3.519  4.131  4.131 30.00 30.00 1000.000  0.00
1:TRP_4:HE1        1:TRP_4:HZ2         2.910  2.919  2.919 30.00 30.00 1000.000  0.00
1:VAL_15:HA        1:ILE_16:HN         2.977  3.439  3.439 30.00 30.00 1000.000  0.00
1:VAL_15:HA        1:VAL_15:HB         2.290  3.326  3.426 30.00 30.00 1000.000  0.00
1:VAL_15:HA        1:VAL_15:HG*        1.128  6.423  4.023 30.00 30.00 1000.000  0.00
1:VAL_15:HA        1:VAL_15:HN         2.875  3.397  3.397 30.00 30.00 1000.000  0.00
1:VAL_15:HN        1:MLA_14:HG2*       3.768  6.060  5.560 30.00 30.00 1000.000  0.00
1:VAL_15:HN        1:VAL_15:HB         2.591  2.979  2.979 30.00 30.00 1000.000  0.00
1:VAL_5:HA         1:VAL_5:HB          2.587  3.088  3.088 30.00 30.00 1000.000  0.00
1:VAL_5:HA         1:LAS_6:HN          1.657  3.268  2.468 30.00 30.00 1000.000  0.00
1:VAL_5:HA         1:VAL_5:HG*         1.975  6.953  4.553 30.00 30.00 1000.000  0.00
1:VAL_5:HA         1:VAL_5:HN          2.230  3.496  3.496 30.00 30.00 1000.000  0.00
1:VAL_5:HN         1:LAS_6:HN          2.821  3.395  3.395 30.00 30.00 1000.000  0.00
1:VAL_5:HN         1:SER_2:HN          3.306  3.433  3.433 30.00 30.00 1000.000  0.00
1:VAL_5:HN         1:TRP_4:HN          2.453  2.778  2.778 30.00 30.00 1000.000  0.00
1:VAL_5:HN         1:VAL_5:HB          2.909  3.586  3.586 30.00 30.00 1000.000  0.00
1:VAL_5:HN         1:VAL_5:HG*         1.504  6.445  4.045 30.00 30.00 1000.000  0.00
!
#mixing_times
5.000000E-02 1.500000E-01 4.500000E-01 
!
#NMR_dihedral
1:LAN_1:C          1:SER_2:N          1:SER_2:CA         1:SER_2:C          -160.000 -80.000 30.00 30.00 1000.000
1:GLY_3:C          1:TRP_4:N          1:TRP_4:CA         1:TRP_4:C          -160.000 -80.000 30.00 30.00 1000.000
1:TRP_4:C          1:VAL_5:N          1:VAL_5:CA         1:VAL_5:C          -160.000 -80.000 30.00 30.00 1000.000
1:LAS_6:C          1:MLA_7:N          1:MLA_7:CA         1:MLA_7:C          80.000 160.000 30.00 30.00 1000.000
1:MLA_7:C          1:LEU_8:N          1:LEU_8:CA         1:LEU_8:C          -160.000 -80.000 30.00 30.00 1000.000
1:LEU_8:C          1:MLA_9:N          1:MLA_9:CA         1:MLA_9:C          80.000 160.000 30.00 30.00 1000.000
1:MLA_9:C          1:ILE_10:N         1:ILE_10:CA        1:ILE_10:C         -160.000 -80.000 30.00 30.00 1000.000
1:GLU_11:C         1:LAS_12:N         1:LAS_12:CA        1:LAS_12:C         -160.000 -80.000 30.00 30.00 1000.000
1:GLY_13:C         1:MLA_14:N         1:MLA_14:CA        1:MLA_14:C         80.000 160.000 30.00 30.00 1000.000
1:MLA_14:C         1:VAL_15:N         1:VAL_15:CA        1:VAL_15:C         -160.000 -80.000 30.00 30.00 1000.000
1:VAL_15:C         1:ILE_16:N         1:ILE_16:CA        1:ILE_16:C         -90.000 -40.000 30.00 30.00 1000.000
1:ILE_16:C         1:LAS_17:N         1:LAS_17:CA        1:LAS_17:C         -160.000 -80.000 30.00 30.00 1000.000
1:LAS_17:C         1:ALA_18:N         1:ALA_18:CA        1:ALA_18:C         -90.000 -40.000 30.00 30.00 1000.000
1:ALA_18:C         1:LAS_19:N         1:LAS_19:CA        1:LAS_19:C         -160.000 -80.000 30.00 30.00 1000.000
1:MLA_7:HA         1:MLA_7:CA         1:MLA_7:CB         1:MLA_7:HB         -120.000 120.000 30.00 30.00 1000.000
1:MLA_9:HA         1:MLA_9:CA         1:MLA_9:CB         1:MLA_9:HB         -120.000 120.000 30.00 30.00 1000.000
1:MLA_14:HA        1:MLA_14:CA        1:MLA_14:CB        1:MLA_14:HB        -120.000 120.000 30.00 30.00 1000.000
!
#3J_dihedral
1:TRP_4:HA         1:TRP_4:CA         1:TRP_4:CB         1:TRP_4:HBR        12.00  1.00 30.00 30.00 1000.000  149.6 -149.6 !A=9.500, B=-1.600, C=1.800
1:LAS_12:HA        1:LAS_12:CA        1:LAS_12:CB        1:LAS_12:HBS       11.00  1.00 30.00 30.00 1000.000  143.1 -143.1 !A=9.500, B=-1.600, C=1.800
1:LAS_19:HA        1:LAS_19:CA        1:LAS_19:CB        1:LAS_19:HBR       12.00  1.00 30.00 30.00 1000.000  149.6 -149.6 !A=9.500, B=-1.600, C=1.800
1:LAS_6:HA         1:LAS_6:CA         1:LAS_6:CB         1:LAS_6:HBR        11.00  1.00 30.00 30.00 1000.000  143.1 -143.1 !A=9.500, B=-1.600, C=1.800

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1HN   DAL   1          1HN       LAN   1  -5.244  -0.895   3.900
    2   2HN   DAL   1          2HN       LAN   1  -6.479  -1.812   3.346
    3    HA   DAL   1           HA       LAN   1  -5.523  -1.944   1.155
    4   1HB   DAL   1          1HB       LAN   1  -3.332  -0.155   2.390
    5   2HB   DAL   1          2HB       LAN   1  -3.493  -0.528   0.674
    6    H    SER   2           H        SER   2  -5.187   0.189  -0.282
    7    HA   SER   2           HA       SER   2  -7.695   1.871   0.245
    8   1HB   SER   2          1HB       SER   2  -5.722   3.133  -0.625
    9   2HB   SER   2          2HB       SER   2  -5.660   2.092  -2.054
   10    HG   SER   2           HG       SER   2  -6.826   4.000  -2.386
   11    H    GLY   3           H        GLY   3  -8.437  -0.384   0.343
   12   1HA   GLY   3          1HA       GLY   3 -10.236  -1.839  -0.743
   13   2HA   GLY   3          2HA       GLY   3  -9.446  -1.611  -2.295
   14    H    TRP   4           H        TRP   4  -7.895  -3.370  -2.781
   15    HA   TRP   4           HA       TRP   4  -5.855  -3.748  -0.715
   16   1HB   TRP   4          1HB       TRP   4  -6.961  -6.234  -1.955
   17   2HB   TRP   4          2HB       TRP   4  -5.486  -6.209  -1.045
   18    HD1  TRP   4           HD1      TRP   4  -9.188  -6.770  -0.554
   19    HE1  TRP   4           HE1      TRP   4  -9.885  -6.971   1.975
   20    HE3  TRP   4           HE3      TRP   4  -4.786  -5.078   1.369
   21    HZ2  TRP   4           HZ2      TRP   4  -8.513  -6.366   4.447
   22    HZ3  TRP   4           HZ3      TRP   4  -4.538  -4.875   3.820
   23    HH2  TRP   4           HH2      TRP   4  -6.376  -5.509   5.332
   24    H    VAL   5           H        VAL   5  -5.356  -2.269  -2.300
   25    HA   VAL   5           HA       VAL   5  -3.756  -3.301  -4.682
   26    HB   VAL   5           HB       VAL   5  -3.648  -0.422  -3.628
   27   1HG1  VAL   5          2HG2      VAL   5  -1.503  -1.101  -4.736
   28   2HG1  VAL   5          3HG2      VAL   5  -2.400  -1.652  -6.168
   29   3HG1  VAL   5          1HG2      VAL   5  -2.398   0.071  -5.712
   30   1HG2  VAL   5          3HG1      VAL   5  -5.065  -1.548  -6.124
   31   2HG2  VAL   5          1HG1      VAL   5  -5.865  -0.896  -4.673
   32   3HG2  VAL   5          2HG1      VAL   5  -4.891   0.173  -5.693
   33    H    CYS   6           HN       LAS   6  -2.510  -1.431  -2.035
   34    HA   CYS   6           HA       LAS   6  -1.296  -1.961  -0.169
   35   1HB   CYS   6          1HB       LAS   6  -3.815  -3.014  -0.179
   36   2HB   CYS   6          2HB       LAS   6  -2.841  -4.334   0.431
   37   1HN   ABA   7           HN       MLA   7   0.203  -2.704   0.503
   38    HA   ABA   7           HA       MLA   7   0.809  -5.349   1.205
   39   1HB   ABA   7           HB       MLA   7   2.444  -4.014   2.759
   40   1HG   ABA   7          1HG2      MLA   7   0.014  -4.421   3.338
   41   2HG   ABA   7          2HG2      MLA   7  -0.422  -2.918   2.534
   42   3HG   ABA   7          3HG2      MLA   7   0.614  -2.867   3.973
   43    H    LEU   8           H        LEU   8   1.981  -4.675  -1.620
   44    HA   LEU   8           HA       LEU   8   4.837  -5.734  -1.095
   45   1HB   LEU   8          1HB       LEU   8   3.104  -6.542  -3.496
   46   2HB   LEU   8          2HB       LEU   8   4.784  -6.963  -3.257
   47    HG   LEU   8           HG       LEU   8   2.503  -7.888  -1.407
   48   1HD1  LEU   8          2HD1      LEU   8   2.287  -8.868  -3.693
   49   2HD1  LEU   8          3HD1      LEU   8   3.969  -9.451  -3.629
   50   3HD1  LEU   8          1HD1      LEU   8   2.746 -10.110  -2.513
   51   1HD2  LEU   8          2HD2      LEU   8   5.463  -8.793  -1.485
   52   2HD2  LEU   8          3HD2      LEU   8   4.684  -7.866  -0.179
   53   3HD2  LEU   8          1HD2      LEU   8   4.177  -9.532  -0.496
   54   1HN   ABA   9           HN       MLA   9   4.768  -3.330  -0.857
   55    HA   ABA   9           HA       MLA   9   6.415  -2.367  -3.130
   56   1HB   ABA   9           HB       MLA   9   6.851  -0.393  -1.497
   57   1HG   ABA   9          1HG2      MLA   9   8.397  -2.373  -1.637
   58   2HG   ABA   9          2HG2      MLA   9   8.262  -1.735   0.024
   59   3HG   ABA   9          3HG2      MLA   9   7.408  -3.228  -0.427
   60    H    ILE  10           H        ILE  10   3.064  -1.811  -2.602
   61    HA   ILE  10           HA       ILE  10   3.096   0.839  -4.073
   62    HB   ILE  10           HB       ILE  10   1.587  -1.563  -5.225
   63   1HG1  ILE  10          1HG1      ILE  10   3.969  -1.837  -5.821
   64   2HG1  ILE  10          2HG1      ILE  10   2.925  -1.614  -7.195
   65   1HG2  ILE  10          2HG2      ILE  10   0.304   0.517  -5.570
   66   2HG2  ILE  10          3HG2      ILE  10   1.717   1.331  -6.272
   67   3HG2  ILE  10          1HG2      ILE  10   0.948  -0.037  -7.123
   68   1HD1  ILE  10          2HD1      ILE  10   4.736   0.621  -6.060
   69   2HD1  ILE  10          3HD1      ILE  10   5.100  -0.404  -7.465
   70   3HD1  ILE  10          1HD1      ILE  10   3.737   0.733  -7.527
   71    H    GLU  11           H        GLU  11   2.015   1.832  -2.545
   72    HA   GLU  11           HA       GLU  11   0.206   2.698  -1.314
   73   1HB   GLU  11          1HB       GLU  11  -0.923   2.930  -3.422
   74   2HB   GLU  11          2HB       GLU  11  -1.228   1.219  -3.504
   75   1HG   GLU  11          1HG       GLU  11  -3.229   2.631  -3.181
   76   2HG   GLU  11          2HG       GLU  11  -3.088   1.457  -1.901
   77    HE1  GLU  11           HE2      GLU  11  -2.777   5.441  -1.201
   78    H    CYS  12           HN       LAS  12   1.375   1.132   0.224
   79    HA   CYS  12           HA       LAS  12  -0.377  -0.918   1.590
   80   1HB   CYS  12          2HB       LAS  12   2.362   0.264   2.302
   81   2HB   CYS  12          1HB       LAS  12   1.514  -0.793   3.430
   82    H    GLY  13           H        GLY  13   0.387   2.496   1.914
   83   1HA   GLY  13          1HA       GLY  13  -1.708   2.826   4.091
   84   2HA   GLY  13          2HA       GLY  13  -0.059   3.087   4.631
   85   1HN   ABA  14           HN       MLA  14   0.875   4.563   2.291
   86    HA   ABA  14           HA       MLA  14  -0.142   7.160   3.361
   87   1HB   ABA  14           HB       MLA  14  -0.492   8.397   1.500
   88   1HG   ABA  14          1HG2      MLA  14  -2.427   6.850   1.658
   89   2HG   ABA  14          2HG2      MLA  14  -2.124   7.358  -0.029
   90   3HG   ABA  14          3HG2      MLA  14  -1.641   5.735   0.514
   91    H    VAL  15           H        VAL  15   2.213   5.480   3.801
   92    HA   VAL  15           HA       VAL  15   4.458   7.352   3.004
   93    HB   VAL  15           HB       VAL  15   3.260   8.041   5.133
   94   1HG1  VAL  15          1HG2      VAL  15   2.952   5.814   6.255
   95   2HG1  VAL  15          2HG2      VAL  15   4.708   5.723   6.540
   96   3HG1  VAL  15          3HG2      VAL  15   3.744   7.012   7.300
   97   1HG2  VAL  15          3HG1      VAL  15   5.522   8.918   4.547
   98   2HG2  VAL  15          2HG1      VAL  15   5.311   8.779   6.304
   99   3HG2  VAL  15          1HG1      VAL  15   6.290   7.575   5.430
  100    H    ILE  16           H        ILE  16   3.753   4.099   4.103
  101    HA   ILE  16           HA       ILE  16   6.627   3.413   4.535
  102    HB   ILE  16           HB       ILE  16   4.061   1.778   4.762
  103   1HG1  ILE  16          1HG1      ILE  16   4.295   3.347   6.566
  104   2HG1  ILE  16          2HG1      ILE  16   4.457   1.712   7.143
  105   1HG2  ILE  16          2HG2      ILE  16   6.861   0.633   5.288
  106   2HG2  ILE  16          3HG2      ILE  16   5.316  -0.121   5.766
  107   3HG2  ILE  16          1HG2      ILE  16   5.695   0.094   4.057
  108   1HD1  ILE  16          2HD1      ILE  16   6.993   2.026   7.318
  109   2HD1  ILE  16          3HD1      ILE  16   6.786   3.719   6.791
  110   3HD1  ILE  16          1HD1      ILE  16   6.063   3.167   8.315
  111    H    CYS  17           HN       LAS  17   4.293   1.986   2.191
  112    HA   CYS  17           HA       LAS  17   6.568   1.191   0.302
  113   1HB   CYS  17          2HB       LAS  17   3.696   0.336   0.740
  114   2HB   CYS  17          1HB       LAS  17   4.163   0.404  -0.906
  115    H    ALA  18           H        ALA  18   5.404   1.577  -2.053
  116    HA   ALA  18           HA       ALA  18   5.198   4.642  -2.500
  117   1HB   ALA  18          1HB       ALA  18   6.580   3.299  -4.145
  118   2HB   ALA  18          2HB       ALA  18   5.115   2.395  -4.613
  119   3HB   ALA  18          3HB       ALA  18   5.216   4.144  -4.903
  120   1HN   CSX  19           HN       LAS  19   3.441   3.939  -0.896
  121    HA   CSX  19           HA       LAS  19   2.474   6.084  -2.545
  122   1HB   CSX  19          1HB       LAS  19   0.119   5.381  -1.399
  123   2HB   CSX  19          2HB       LAS  19   1.004   5.087   0.079
  124    HXT  CSX  19           HO       LAS  19   4.733   7.878  -0.880
   
  No H/Q in entry =         124
  Start of MODEL    2
    1   1HN   DAL   1          1HN       LAN   1  -4.663  -2.638   3.765
    2   2HN   DAL   1          2HN       LAN   1  -6.219  -2.142   3.701
    3    HA   DAL   1           HA       LAN   1  -5.308  -2.290   1.521
    4   1HB   DAL   1          1HB       LAN   1  -3.213  -0.299   2.618
    5   2HB   DAL   1          2HB       LAN   1  -3.402  -0.723   0.915
    6    H    SER   2           H        SER   2  -5.139  -0.258  -0.059
    7    HA   SER   2           HA       SER   2  -7.729   1.332   0.394
    8   1HB   SER   2          1HB       SER   2  -5.686   1.536  -1.899
    9   2HB   SER   2          2HB       SER   2  -7.213   2.417  -1.802
   10    HG   SER   2           HG       SER   2  -5.109   2.521   0.098
   11    H    GLY   3           H        GLY   3  -8.356  -0.953   0.593
   12   1HA   GLY   3          1HA       GLY   3 -10.037  -2.584  -0.410
   13   2HA   GLY   3          2HA       GLY   3  -9.305  -2.343  -1.987
   14    H    TRP   4           H        TRP   4  -7.620  -3.974  -2.466
   15    HA   TRP   4           HA       TRP   4  -5.529  -4.193  -0.425
   16   1HB   TRP   4          1HB       TRP   4  -6.530  -6.761  -1.586
   17   2HB   TRP   4          2HB       TRP   4  -5.042  -6.640  -0.701
   18    HD1  TRP   4           HD1      TRP   4  -8.678  -7.431  -0.142
   19    HE1  TRP   4           HE1      TRP   4  -9.345  -7.588   2.398
   20    HE3  TRP   4           HE3      TRP   4  -4.405  -5.344   1.680
   21    HZ2  TRP   4           HZ2      TRP   4  -8.011  -6.784   4.834
   22    HZ3  TRP   4           HZ3      TRP   4  -4.165  -5.020   4.119
   23    HH2  TRP   4           HH2      TRP   4  -5.942  -5.730   5.669
   24    H    VAL   5           H        VAL   5  -5.138  -2.727  -2.074
   25    HA   VAL   5           HA       VAL   5  -3.484  -3.772  -4.413
   26    HB   VAL   5           HB       VAL   5  -3.570  -0.846  -3.548
   27   1HG1  VAL   5          2HG1      VAL   5  -2.268  -2.175  -6.018
   28   2HG1  VAL   5          3HG1      VAL   5  -2.376  -0.425  -5.706
   29   3HG1  VAL   5          1HG1      VAL   5  -1.395  -1.449  -4.649
   30   1HG2  VAL   5          1HG2      VAL   5  -4.941  -2.206  -5.949
   31   2HG2  VAL   5          2HG2      VAL   5  -5.761  -1.510  -4.531
   32   3HG2  VAL   5          3HG2      VAL   5  -4.865  -0.453  -5.632
   33    H    CYS   6           HN       LAS   6  -2.367  -1.655  -1.865
   34    HA   CYS   6           HA       LAS   6  -1.094  -2.033   0.017
   35   1HB   CYS   6          1HB       LAS   6  -3.596  -3.171   0.090
   36   2HB   CYS   6          2HB       LAS   6  -2.583  -4.462   0.710
   37   1HN   ABA   7           HN       MLA   7   0.397  -2.766   0.812
   38    HA   ABA   7           HA       MLA   7   1.120  -5.441   1.425
   39   1HB   ABA   7           HB       MLA   7   2.703  -4.113   3.029
   40   1HG   ABA   7          1HG2      MLA   7   0.286  -4.639   3.601
   41   2HG   ABA   7          2HG2      MLA   7  -0.206  -3.111   2.876
   42   3HG   ABA   7          3HG2      MLA   7   0.841  -3.100   4.308
   43    H    LEU   8           H        LEU   8   2.102  -4.768  -1.382
   44    HA   LEU   8           HA       LEU   8   4.927  -5.915  -1.028
   45   1HB   LEU   8          1HB       LEU   8   4.739  -7.154  -2.995
   46   2HB   LEU   8          2HB       LEU   8   3.343  -7.550  -2.037
   47    HG   LEU   8           HG       LEU   8   3.328  -5.713  -4.525
   48   1HD1  LEU   8          3HD2      LEU   8   3.886  -8.080  -5.085
   49   2HD1  LEU   8          1HD2      LEU   8   2.417  -8.647  -4.253
   50   3HD1  LEU   8          2HD2      LEU   8   2.290  -7.636  -5.715
   51   1HD2  LEU   8          1HD1      LEU   8   0.913  -6.794  -2.929
   52   2HD2  LEU   8          2HD1      LEU   8   1.379  -5.086  -3.137
   53   3HD2  LEU   8          3HD1      LEU   8   0.815  -6.013  -4.528
   54   1HN   ABA   9           HN       MLA   9   4.554  -3.262  -0.759
   55    HA   ABA   9           HA       MLA   9   6.442  -2.285  -2.900
   56   1HB   ABA   9           HB       MLA   9   6.809  -0.371  -1.229
   57   1HG   ABA   9          1HG2      MLA   9   8.344  -2.379  -1.349
   58   2HG   ABA   9          2HG2      MLA   9   8.176  -1.755   0.316
   59   3HG   ABA   9          3HG2      MLA   9   7.313  -3.227  -0.174
   60    H    ILE  10           H        ILE  10   3.025  -1.797  -2.355
   61    HA   ILE  10           HA       ILE  10   3.068   0.883  -3.731
   62    HB   ILE  10           HB       ILE  10   1.269  -1.302  -4.951
   63   1HG1  ILE  10          1HG1      ILE  10   2.774  -1.036  -7.123
   64   2HG1  ILE  10          2HG1      ILE  10   4.063  -0.605  -6.022
   65   1HG2  ILE  10          3HG2      ILE  10   0.536   1.081  -5.205
   66   2HG2  ILE  10          1HG2      ILE  10   2.076   1.487  -5.998
   67   3HG2  ILE  10          2HG2      ILE  10   0.928   0.364  -6.772
   68   1HD1  ILE  10          3HD1      ILE  10   2.422  -3.241  -6.036
   69   2HD1  ILE  10          1HD1      ILE  10   4.087  -3.029  -6.626
   70   3HD1  ILE  10          2HD1      ILE  10   3.739  -2.906  -4.892
   71    H    GLU  11           H        GLU  11   2.073   1.887  -2.158
   72    HA   GLU  11           HA       GLU  11   0.514   2.624  -0.660
   73   1HB   GLU  11          1HB       GLU  11  -1.581   3.100  -1.484
   74   2HB   GLU  11          2HB       GLU  11  -0.544   3.087  -2.900
   75   1HG   GLU  11          1HG       GLU  11  -1.394   0.779  -3.496
   76   2HG   GLU  11          2HG       GLU  11  -2.553   0.877  -2.171
   77    HE1  GLU  11           HE2      GLU  11  -4.462   3.453  -3.667
   78    H    CYS  12           HN       LAS  12   1.529   0.813   0.557
   79    HA   CYS  12           HA       LAS  12  -0.324  -1.038   2.011
   80   1HB   CYS  12          2HB       LAS  12   2.450   0.139   2.727
   81   2HB   CYS  12          1HB       LAS  12   1.602  -0.967   3.808
   82    H    GLY  13           H        GLY  13   0.533   2.344   2.196
   83   1HA   GLY  13          1HA       GLY  13  -1.316   2.786   4.598
   84   2HA   GLY  13          2HA       GLY  13   0.381   3.128   4.869
   85   1HN   ABA  14           HN       MLA  14   0.972   4.489   2.394
   86    HA   ABA  14           HA       MLA  14  -0.023   7.086   3.518
   87   1HB   ABA  14           HB       MLA  14  -0.534   8.295   1.698
   88   1HG   ABA  14          1HG2      MLA  14  -2.391   6.652   1.903
   89   2HG   ABA  14          2HG2      MLA  14  -2.176   7.209   0.219
   90   3HG   ABA  14          3HG2      MLA  14  -1.604   5.596   0.702
   91    H    VAL  15           H        VAL  15   2.407   5.402   3.766
   92    HA   VAL  15           HA       VAL  15   4.560   7.400   3.001
   93    HB   VAL  15           HB       VAL  15   4.104   6.555   5.923
   94   1HG1  VAL  15          2HG1      VAL  15   6.261   8.453   4.779
   95   2HG1  VAL  15          1HG1      VAL  15   5.953   8.157   6.510
   96   3HG1  VAL  15          3HG1      VAL  15   6.547   6.846   5.487
   97   1HG2  VAL  15          3HG2      VAL  15   3.733   9.359   4.674
   98   2HG2  VAL  15          1HG2      VAL  15   2.445   8.323   5.332
   99   3HG2  VAL  15          2HG2      VAL  15   3.671   8.987   6.416
  100    H    ILE  16           H        ILE  16   3.920   4.223   4.415
  101    HA   ILE  16           HA       ILE  16   6.767   3.485   4.631
  102    HB   ILE  16           HB       ILE  16   4.180   1.904   5.014
  103   1HG1  ILE  16          1HG1      ILE  16   4.562   3.550   6.752
  104   2HG1  ILE  16          2HG1      ILE  16   4.654   1.927   7.380
  105   1HG2  ILE  16          2HG2      ILE  16   6.959   0.684   5.466
  106   2HG2  ILE  16          3HG2      ILE  16   5.412   0.005   6.040
  107   3HG2  ILE  16          1HG2      ILE  16   5.719   0.145   4.310
  108   1HD1  ILE  16          3HD1      ILE  16   7.205   2.104   7.462
  109   2HD1  ILE  16          1HD1      ILE  16   7.078   3.784   6.872
  110   3HD1  ILE  16          2HD1      ILE  16   6.379   3.336   8.441
  111    H    CYS  17           HN       LAS  17   4.316   2.113   2.425
  112    HA   CYS  17           HA       LAS  17   6.498   1.180   0.471
  113   1HB   CYS  17          2HB       LAS  17   3.652   0.343   1.054
  114   2HB   CYS  17          1HB       LAS  17   4.032   0.392  -0.621
  115    H    ALA  18           H        ALA  18   5.267   1.532  -1.840
  116    HA   ALA  18           HA       ALA  18   5.168   4.593  -2.333
  117   1HB   ALA  18          1HB       ALA  18   6.526   3.167  -3.943
  118   2HB   ALA  18          2HB       ALA  18   5.027   2.333  -4.435
  119   3HB   ALA  18          3HB       ALA  18   5.218   4.073  -4.728
  120   1HN   CSX  19           HN       LAS  19   3.341   3.892  -0.745
  121    HA   CSX  19           HA       LAS  19   2.512   6.129  -2.326
  122   1HB   CSX  19          1HB       LAS  19   0.070   5.421  -1.364
  123   2HB   CSX  19          2HB       LAS  19   0.860   5.043   0.147
  124    HXT  CSX  19           HO       LAS  19   4.117   6.033   1.427
   
  No H/Q in entry =         124
  Start of MODEL    3
    1   1HN   DAL   1          1HN       LAN   1  -5.199  -0.629   3.840
    2   2HN   DAL   1          2HN       LAN   1  -4.613  -2.143   3.645
    3    HA   DAL   1           HA       LAN   1  -5.340  -2.245   1.377
    4   1HB   DAL   1          1HB       LAN   1  -3.478   0.066   2.223
    5   2HB   DAL   1          2HB       LAN   1  -3.678  -0.438   0.545
    6    H    SER   2           H        SER   2  -5.459  -0.552  -0.479
    7    HA   SER   2           HA       SER   2  -8.323   0.543  -0.209
    8   1HB   SER   2          1HB       SER   2  -6.748   2.136  -1.346
    9   2HB   SER   2          2HB       SER   2  -6.376   0.912  -2.570
   10    HG   SER   2           HG       SER   2  -8.017   2.336  -3.197
   11    H    GLY   3           H        GLY   3  -8.426  -1.789   0.324
   12   1HA   GLY   3          1HA       GLY   3  -9.529  -3.928  -0.323
   13   2HA   GLY   3          2HA       GLY   3  -9.197  -3.630  -2.013
   14    H    TRP   4           H        TRP   4  -7.175  -4.540  -2.821
   15    HA   TRP   4           HA       TRP   4  -4.831  -4.650  -1.051
   16   1HB   TRP   4          1HB       TRP   4  -5.768  -7.218  -2.244
   17   2HB   TRP   4          2HB       TRP   4  -4.097  -6.979  -1.830
   18    HD1  TRP   4           HD1      TRP   4  -7.492  -7.712  -0.109
   19    HE1  TRP   4           HE1      TRP   4  -7.179  -8.228   2.454
   20    HE3  TRP   4           HE3      TRP   4  -2.555  -6.473   0.104
   21    HZ2  TRP   4           HZ2      TRP   4  -4.915  -8.008   4.241
   22    HZ3  TRP   4           HZ3      TRP   4  -1.367  -6.613   2.267
   23    HH2  TRP   4           HH2      TRP   4  -2.532  -7.370   4.302
   24    H    VAL   5           H        VAL   5  -4.851  -3.001  -2.481
   25    HA   VAL   5           HA       VAL   5  -3.069  -3.533  -4.907
   26    HB   VAL   5           HB       VAL   5  -3.703  -0.738  -3.866
   27   1HG1  VAL   5          2HG2      VAL   5  -1.417  -0.946  -4.940
   28   2HG1  VAL   5          3HG2      VAL   5  -2.159  -1.655  -6.390
   29   3HG1  VAL   5          1HG2      VAL   5  -2.518   0.028  -5.929
   30   1HG2  VAL   5          3HG1      VAL   5  -4.768  -2.136  -6.399
   31   2HG2  VAL   5          1HG1      VAL   5  -5.727  -1.666  -4.975
   32   3HG2  VAL   5          2HG1      VAL   5  -4.982  -0.415  -5.980
   33    H    CYS   6           HN       LAS   6  -2.402  -1.402  -2.180
   34    HA   CYS   6           HA       LAS   6  -1.088  -1.815  -0.298
   35   1HB   CYS   6          1HB       LAS   6  -3.682  -2.820  -0.225
   36   2HB   CYS   6          2HB       LAS   6  -2.752  -4.117   0.465
   37   1HN   ABA   7           HN       MLA   7   0.312  -2.651   0.588
   38    HA   ABA   7           HA       MLA   7   0.827  -5.376   1.232
   39   1HB   ABA   7           HB       MLA   7   2.506  -4.131   2.837
   40   1HG   ABA   7          1HG2      MLA   7   0.092  -4.543   3.439
   41   2HG   ABA   7          2HG2      MLA   7  -0.372  -3.032   2.667
   42   3HG   ABA   7          3HG2      MLA   7   0.684  -2.997   4.095
   43    H    LEU   8           H        LEU   8   2.045  -4.518  -1.562
   44    HA   LEU   8           HA       LEU   8   4.877  -5.624  -1.094
   45   1HB   LEU   8          1HB       LEU   8   3.095  -6.501  -3.458
   46   2HB   LEU   8          2HB       LEU   8   4.808  -6.774  -3.281
   47    HG   LEU   8           HG       LEU   8   4.223  -8.033  -1.028
   48   1HD1  LEU   8          3HD1      LEU   8   1.486  -8.240  -2.469
   49   2HD1  LEU   8          1HD1      LEU   8   2.005  -9.245  -1.094
   50   3HD1  LEU   8          2HD1      LEU   8   1.767  -7.511  -0.872
   51   1HD2  LEU   8          3HD2      LEU   8   5.199  -9.122  -3.050
   52   2HD2  LEU   8          1HD2      LEU   8   3.993 -10.176  -2.292
   53   3HD2  LEU   8          2HD2      LEU   8   3.582  -9.283  -3.779
   54   1HN   ABA   9           HN       MLA   9   4.686  -3.164  -0.876
   55    HA   ABA   9           HA       MLA   9   6.336  -2.218  -3.165
   56   1HB   ABA   9           HB       MLA   9   6.771  -0.238  -1.519
   57   1HG   ABA   9          1HG2      MLA   9   8.359  -2.172  -1.754
   58   2HG   ABA   9          2HG2      MLA   9   8.256  -1.586  -0.073
   59   3HG   ABA   9          3HG2      MLA   9   7.425  -3.086  -0.543
   60    H    ILE  10           H        ILE  10   2.973  -1.596  -2.568
   61    HA   ILE  10           HA       ILE  10   3.076   1.131  -3.792
   62    HB   ILE  10           HB       ILE  10   1.300  -0.964  -5.202
   63   1HG1  ILE  10          1HG1      ILE  10   2.720  -0.434  -7.357
   64   2HG1  ILE  10          2HG1      ILE  10   4.016   0.023  -6.276
   65   1HG2  ILE  10          3HG2      ILE  10   0.460   1.410  -5.224
   66   2HG2  ILE  10          1HG2      ILE  10   1.974   1.952  -5.977
   67   3HG2  ILE  10          2HG2      ILE  10   0.865   0.865  -6.852
   68   1HD1  ILE  10          3HD1      ILE  10   2.600  -2.741  -6.368
   69   2HD1  ILE  10          1HD1      ILE  10   4.151  -2.341  -7.144
   70   3HD1  ILE  10          2HD1      ILE  10   4.030  -2.357  -5.379
   71    H    GLU  11           H        GLU  11   2.026   2.085  -2.248
   72    HA   GLU  11           HA       GLU  11   0.469   2.761  -0.730
   73   1HB   GLU  11          1HB       GLU  11  -1.678   3.159  -1.500
   74   2HB   GLU  11          2HB       GLU  11  -0.659   3.273  -2.924
   75   1HG   GLU  11          1HG       GLU  11  -1.377   1.078  -3.742
   76   2HG   GLU  11          2HG       GLU  11  -2.381   0.795  -2.328
   77    HE1  GLU  11           HE2      GLU  11  -4.907   3.010  -3.235
   78    H    CYS  12           HN       LAS  12   1.518   0.900   0.413
   79    HA   CYS  12           HA       LAS  12  -0.329  -0.956   1.864
   80   1HB   CYS  12          2HB       LAS  12   2.489   0.125   2.528
   81   2HB   CYS  12          1HB       LAS  12   1.629  -0.952   3.631
   82    H    GLY  13           H        GLY  13   0.619   2.397   2.144
   83   1HA   GLY  13          1HA       GLY  13  -1.126   2.782   4.647
   84   2HA   GLY  13          2HA       GLY  13   0.583   3.128   4.812
   85   1HN   ABA  14           HN       MLA  14   1.111   4.571   2.469
   86    HA   ABA  14           HA       MLA  14   0.085   7.117   3.624
   87   1HB   ABA  14           HB       MLA  14  -0.473   8.361   1.833
   88   1HG   ABA  14          1HG2      MLA  14  -2.309   6.694   2.042
   89   2HG   ABA  14          2HG2      MLA  14  -2.132   7.282   0.363
   90   3HG   ABA  14          3HG2      MLA  14  -1.534   5.668   0.811
   91    H    VAL  15           H        VAL  15   2.464   5.531   3.943
   92    HA   VAL  15           HA       VAL  15   4.665   7.327   2.912
   93    HB   VAL  15           HB       VAL  15   3.594   8.171   5.063
   94   1HG1  VAL  15          1HG2      VAL  15   3.345   6.030   6.348
   95   2HG1  VAL  15          2HG2      VAL  15   5.114   5.943   6.534
   96   3HG1  VAL  15          3HG2      VAL  15   4.204   7.287   7.261
   97   1HG2  VAL  15          3HG1      VAL  15   5.819   8.991   4.283
   98   2HG2  VAL  15          2HG1      VAL  15   5.717   8.971   6.054
   99   3HG2  VAL  15          1HG1      VAL  15   6.635   7.703   5.204
  100    H    ILE  16           H        ILE  16   3.949   4.165   4.229
  101    HA   ILE  16           HA       ILE  16   6.802   3.373   4.586
  102    HB   ILE  16           HB       ILE  16   4.162   1.864   4.882
  103   1HG1  ILE  16          1HG1      ILE  16   6.340   2.460   6.975
  104   2HG1  ILE  16          2HG1      ILE  16   5.024   3.563   6.639
  105   1HG2  ILE  16          1HG2      ILE  16   5.725   0.109   4.042
  106   2HG2  ILE  16          2HG2      ILE  16   6.933   0.554   5.269
  107   3HG2  ILE  16          3HG2      ILE  16   5.368  -0.155   5.741
  108   1HD1  ILE  16          3HD1      ILE  16   3.318   1.816   7.283
  109   2HD1  ILE  16          1HD1      ILE  16   4.647   0.716   7.739
  110   3HD1  ILE  16          2HD1      ILE  16   4.429   2.253   8.601
  111    H    CYS  17           HN       LAS  17   4.362   2.037   2.305
  112    HA   CYS  17           HA       LAS  17   6.544   1.269   0.299
  113   1HB   CYS  17          2HB       LAS  17   3.708   0.380   0.879
  114   2HB   CYS  17          1HB       LAS  17   4.082   0.484  -0.796
  115    H    ALA  18           H        ALA  18   5.281   1.683  -1.987
  116    HA   ALA  18           HA       ALA  18   5.161   4.755  -2.382
  117   1HB   ALA  18          1HB       ALA  18   6.498   3.381  -4.050
  118   2HB   ALA  18          2HB       ALA  18   4.998   2.548  -4.540
  119   3HB   ALA  18          3HB       ALA  18   5.175   4.296  -4.796
  120   1HN   CSX  19           HN       LAS  19   3.348   3.996  -0.795
  121    HA   CSX  19           HA       LAS  19   2.511   6.301  -2.287
  122   1HB   CSX  19          1HB       LAS  19   0.083   5.563  -1.311
  123   2HB   CSX  19          2HB       LAS  19   0.895   5.144   0.178
  124    HXT  CSX  19           HO       LAS  19   4.175   6.072   1.432
   
  No H/Q in entry =         124
  Start of MODEL    4
    1   1HN   DAL   1          1HN       LAN   1  -4.772  -2.675   3.548
    2   2HN   DAL   1          2HN       LAN   1  -6.329  -2.185   3.462
    3    HA   DAL   1           HA       LAN   1  -5.361  -2.240   1.306
    4   1HB   DAL   1          1HB       LAN   1  -3.329  -0.245   2.496
    5   2HB   DAL   1          2HB       LAN   1  -3.445  -0.682   0.791
    6    H    SER   2           H        SER   2  -5.195  -0.167  -0.206
    7    HA   SER   2           HA       SER   2  -7.840   1.313   0.242
    8   1HB   SER   2          1HB       SER   2  -7.446   2.462  -1.868
    9   2HB   SER   2          2HB       SER   2  -6.096   2.720  -0.766
   10    HG   SER   2           HG       SER   2  -4.975   1.061  -1.892
   11    H    GLY   3           H        GLY   3  -8.355  -0.999   0.541
   12   1HA   GLY   3          1HA       GLY   3 -10.033  -2.708  -0.332
   13   2HA   GLY   3          2HA       GLY   3  -9.411  -2.466  -1.956
   14    H    TRP   4           H        TRP   4  -7.629  -3.939  -2.527
   15    HA   TRP   4           HA       TRP   4  -5.479  -4.162  -0.584
   16   1HB   TRP   4          1HB       TRP   4  -6.552  -6.737  -1.640
   17   2HB   TRP   4          2HB       TRP   4  -4.929  -6.607  -1.028
   18    HD1  TRP   4           HD1      TRP   4  -4.615  -5.909   1.681
   19    HE1  TRP   4           HE1      TRP   4  -6.025  -6.500   3.822
   20    HE3  TRP   4           HE3      TRP   4  -8.879  -7.199  -0.804
   21    HZ2  TRP   4           HZ2      TRP   4  -8.746  -7.401   4.197
   22    HZ3  TRP   4           HZ3      TRP   4 -10.868  -7.877   0.499
   23    HH2  TRP   4           HH2      TRP   4 -10.799  -7.975   2.957
   24    H    VAL   5           H        VAL   5  -5.114  -2.713  -2.116
   25    HA   VAL   5           HA       VAL   5  -3.467  -3.647  -4.521
   26    HB   VAL   5           HB       VAL   5  -3.567  -0.755  -3.503
   27   1HG1  VAL   5          1HG1      VAL   5  -1.349  -1.321  -4.538
   28   2HG1  VAL   5          2HG1      VAL   5  -2.170  -1.936  -5.990
   29   3HG1  VAL   5          3HG1      VAL   5  -2.280  -0.211  -5.554
   30   1HG2  VAL   5          1HG2      VAL   5  -4.835  -1.993  -6.025
   31   2HG2  VAL   5          2HG2      VAL   5  -5.715  -1.370  -4.609
   32   3HG2  VAL   5          3HG2      VAL   5  -4.775  -0.259  -5.616
   33    H    CYS   6           HN       LAS   6  -2.389  -1.663  -1.875
   34    HA   CYS   6           HA       LAS   6  -1.144  -2.089  -0.003
   35   1HB   CYS   6          1HB       LAS   6  -3.634  -3.208   0.047
   36   2HB   CYS   6          2HB       LAS   6  -2.628  -4.473   0.717
   37   1HN   ABA   7           HN       MLA   7   0.363  -2.771   0.746
   38    HA   ABA   7           HA       MLA   7   1.091  -5.404   1.450
   39   1HB   ABA   7           HB       MLA   7   2.655  -4.023   3.004
   40   1HG   ABA   7          1HG2      MLA   7   0.246  -4.491   3.596
   41   2HG   ABA   7          2HG2      MLA   7  -0.240  -3.001   2.796
   42   3HG   ABA   7          3HG2      MLA   7   0.806  -2.921   4.227
   43    H    LEU   8           H        LEU   8   2.085  -4.845  -1.383
   44    HA   LEU   8           HA       LEU   8   4.932  -5.918  -0.968
   45   1HB   LEU   8          1HB       LEU   8   4.806  -7.214  -2.906
   46   2HB   LEU   8          2HB       LEU   8   3.467  -7.656  -1.888
   47    HG   LEU   8           HG       LEU   8   3.241  -5.941  -4.452
   48   1HD1  LEU   8          2HD1      LEU   8   3.977  -8.276  -4.933
   49   2HD1  LEU   8          3HD1      LEU   8   2.585  -8.924  -4.030
   50   3HD1  LEU   8          1HD1      LEU   8   2.332  -7.991  -5.527
   51   1HD2  LEU   8          2HD2      LEU   8   0.977  -7.142  -2.727
   52   2HD2  LEU   8          3HD2      LEU   8   1.286  -5.414  -3.034
   53   3HD2  LEU   8          1HD2      LEU   8   0.762  -6.456  -4.357
   54   1HN   ABA   9           HN       MLA   9   4.853  -3.445  -0.650
   55    HA   ABA   9           HA       MLA   9   6.580  -2.440  -2.855
   56   1HB   ABA   9           HB       MLA   9   6.969  -0.500  -1.205
   57   1HG   ABA   9          1HG2      MLA   9   8.479  -2.527  -1.275
   58   2HG   ABA   9          2HG2      MLA   9   8.303  -1.866   0.375
   59   3HG   ABA   9          3HG2      MLA   9   7.428  -3.340  -0.090
   60    H    ILE  10           H        ILE  10   3.192  -1.976  -2.430
   61    HA   ILE  10           HA       ILE  10   3.215   0.672  -3.914
   62    HB   ILE  10           HB       ILE  10   1.764  -1.777  -5.044
   63   1HG1  ILE  10          1HG1      ILE  10   4.155  -2.020  -5.602
   64   2HG1  ILE  10          2HG1      ILE  10   3.135  -1.823  -7.000
   65   1HG2  ILE  10          2HG2      ILE  10   0.446   0.272  -5.446
   66   2HG2  ILE  10          3HG2      ILE  10   1.853   1.100  -6.144
   67   3HG2  ILE  10          1HG2      ILE  10   1.123  -0.299  -6.978
   68   1HD1  ILE  10          1HD1      ILE  10   4.895   0.443  -5.844
   69   2HD1  ILE  10          2HD1      ILE  10   5.296  -0.583  -7.238
   70   3HD1  ILE  10          3HD1      ILE  10   3.919   0.537  -7.328
   71    H    GLU  11           H        GLU  11   2.106   1.670  -2.415
   72    HA   GLU  11           HA       GLU  11   0.265   2.532  -1.223
   73   1HB   GLU  11          1HB       GLU  11  -0.836   2.713  -3.341
   74   2HB   GLU  11          2HB       GLU  11  -1.106   0.994  -3.409
   75   1HG   GLU  11          1HG       GLU  11  -3.137   2.356  -3.146
   76   2HG   GLU  11          2HG       GLU  11  -2.992   1.209  -1.839
   77    HE1  GLU  11           HE2      GLU  11  -2.832   5.211  -1.216
   78    H    CYS  12           HN       LAS  12   1.446   1.020   0.358
   79    HA   CYS  12           HA       LAS  12  -0.274  -1.024   1.769
   80   1HB   CYS  12          2HB       LAS  12   2.410   0.270   2.508
   81   2HB   CYS  12          1HB       LAS  12   1.575  -0.793   3.637
   82    H    GLY  13           H        GLY  13   0.386   2.422   1.979
   83   1HA   GLY  13          1HA       GLY  13  -1.820   2.797   4.003
   84   2HA   GLY  13          2HA       GLY  13  -0.226   3.058   4.689
   85   1HN   ABA  14           HN       MLA  14   0.778   4.455   2.181
   86    HA   ABA  14           HA       MLA  14  -0.163   7.104   3.241
   87   1HB   ABA  14           HB       MLA  14  -0.562   8.296   1.373
   88   1HG   ABA  14          1HG2      MLA  14  -2.495   6.745   1.563
   89   2HG   ABA  14          2HG2      MLA  14  -2.200   7.227  -0.132
   90   3HG   ABA  14          3HG2      MLA  14  -1.711   5.615   0.433
   91    H    VAL  15           H        VAL  15   2.239   5.340   3.547
   92    HA   VAL  15           HA       VAL  15   4.421   7.362   2.919
   93    HB   VAL  15           HB       VAL  15   3.823   6.443   5.792
   94   1HG1  VAL  15          2HG1      VAL  15   6.019   8.385   4.808
   95   2HG1  VAL  15          1HG1      VAL  15   5.624   8.044   6.513
   96   3HG1  VAL  15          3HG1      VAL  15   6.283   6.763   5.491
   97   1HG2  VAL  15          3HG2      VAL  15   3.490   9.273   4.591
   98   2HG2  VAL  15          1HG2      VAL  15   2.181   8.211   5.160
   99   3HG2  VAL  15          2HG2      VAL  15   3.344   8.859   6.319
  100    H    ILE  16           H        ILE  16   3.771   4.157   4.274
  101    HA   ILE  16           HA       ILE  16   6.630   3.514   4.608
  102    HB   ILE  16           HB       ILE  16   4.082   1.865   4.953
  103   1HG1  ILE  16          1HG1      ILE  16   4.347   3.575   6.649
  104   2HG1  ILE  16          2HG1      ILE  16   4.474   1.976   7.332
  105   1HG2  ILE  16          2HG2      ILE  16   6.882   0.759   5.537
  106   2HG2  ILE  16          3HG2      ILE  16   5.339   0.043   6.079
  107   3HG2  ILE  16          1HG2      ILE  16   5.703   0.142   4.356
  108   1HD1  ILE  16          2HD1      ILE  16   7.014   2.250   7.490
  109   2HD1  ILE  16          3HD1      ILE  16   6.846   3.905   6.844
  110   3HD1  ILE  16          1HD1      ILE  16   6.111   3.479   8.403
  111    H    CYS  17           HN       LAS  17   4.305   1.999   2.366
  112    HA   CYS  17           HA       LAS  17   6.570   1.156   0.463
  113   1HB   CYS  17          2HB       LAS  17   3.712   0.247   0.919
  114   2HB   CYS  17          1HB       LAS  17   4.204   0.276  -0.719
  115    H    ALA  18           H        ALA  18   5.424   1.489  -1.881
  116    HA   ALA  18           HA       ALA  18   5.178   4.537  -2.346
  117   1HB   ALA  18          1HB       ALA  18   6.673   3.222  -3.903
  118   2HB   ALA  18          2HB       ALA  18   5.261   2.280  -4.447
  119   3HB   ALA  18          3HB       ALA  18   5.337   4.029  -4.746
  120   1HN   CSX  19           HN       LAS  19   3.298   3.758  -0.847
  121    HA   CSX  19           HA       LAS  19   2.489   5.948  -2.510
  122   1HB   CSX  19          1HB       LAS  19   0.040   5.271  -1.549
  123   2HB   CSX  19          2HB       LAS  19   0.817   4.947  -0.019
  124    HXT  CSX  19           HO       LAS  19   4.036   5.992   1.269
   
  No H/Q in entry =         124
  Start of MODEL    5
    1   1HN   DAL   1          1HN       LAN   1  -4.563  -2.316   3.732
    2   2HN   DAL   1          2HN       LAN   1  -6.156  -1.956   3.685
    3    HA   DAL   1           HA       LAN   1  -5.314  -2.254   1.495
    4   1HB   DAL   1          1HB       LAN   1  -3.317  -0.063   2.349
    5   2HB   DAL   1          2HB       LAN   1  -3.580  -0.531   0.670
    6    H    SER   2           H        SER   2  -5.351  -0.421  -0.278
    7    HA   SER   2           HA       SER   2  -8.165   0.780   0.071
    8   1HB   SER   2          1HB       SER   2  -6.195   1.152  -2.273
    9   2HB   SER   2          2HB       SER   2  -7.861   1.737  -2.226
   10    HG   SER   2           HG       SER   2  -5.809   2.407  -0.386
   11    H    GLY   3           H        GLY   3  -8.360  -1.568   0.513
   12   1HA   GLY   3          1HA       GLY   3  -9.587  -3.620  -0.200
   13   2HA   GLY   3          2HA       GLY   3  -9.272  -3.264  -1.883
   14    H    TRP   4           H        TRP   4  -7.312  -4.229  -2.772
   15    HA   TRP   4           HA       TRP   4  -4.947  -4.509  -1.066
   16   1HB   TRP   4          1HB       TRP   4  -5.976  -6.985  -2.363
   17   2HB   TRP   4          2HB       TRP   4  -4.290  -6.804  -1.997
   18    HD1  TRP   4           HD1      TRP   4  -7.657  -7.475  -0.166
   19    HE1  TRP   4           HE1      TRP   4  -7.250  -8.175   2.340
   20    HE3  TRP   4           HE3      TRP   4  -2.644  -6.549  -0.138
   21    HZ2  TRP   4           HZ2      TRP   4  -4.891  -8.213   4.013
   22    HZ3  TRP   4           HZ3      TRP   4  -1.363  -6.909   1.944
   23    HH2  TRP   4           HH2      TRP   4  -2.471  -7.729   3.985
   24    H    VAL   5           H        VAL   5  -4.901  -2.819  -2.368
   25    HA   VAL   5           HA       VAL   5  -3.202  -3.265  -4.877
   26    HB   VAL   5           HB       VAL   5  -3.715  -0.522  -3.616
   27   1HG1  VAL   5          1HG1      VAL   5  -1.414  -0.710  -4.627
   28   2HG1  VAL   5          2HG1      VAL   5  -2.124  -1.281  -6.153
   29   3HG1  VAL   5          3HG1      VAL   5  -2.458   0.370  -5.564
   30   1HG2  VAL   5          1HG2      VAL   5  -4.752  -1.687  -6.275
   31   2HG2  VAL   5          2HG2      VAL   5  -5.736  -1.306  -4.842
   32   3HG2  VAL   5          3HG2      VAL   5  -4.931   0.000  -5.724
   33    H    CYS   6           HN       LAS   6  -2.389  -1.372  -2.059
   34    HA   CYS   6           HA       LAS   6  -1.101  -1.886  -0.209
   35   1HB   CYS   6          1HB       LAS   6  -3.658  -2.900  -0.162
   36   2HB   CYS   6          2HB       LAS   6  -2.702  -4.223   0.455
   37   1HN   ABA   7           HN       MLA   7   0.351  -2.668   0.563
   38    HA   ABA   7           HA       MLA   7   0.943  -5.356   1.195
   39   1HB   ABA   7           HB       MLA   7   2.588  -4.070   2.782
   40   1HG   ABA   7          1HG2      MLA   7  -0.290  -2.992   2.617
   41   2HG   ABA   7          2HG2      MLA   7   0.763  -2.959   4.044
   42   3HG   ABA   7          3HG2      MLA   7   0.176  -4.506   3.380
   43    H    LEU   8           H        LEU   8   2.078  -4.572  -1.615
   44    HA   LEU   8           HA       LEU   8   4.927  -5.671  -1.178
   45   1HB   LEU   8          1HB       LEU   8   3.127  -6.469  -3.548
   46   2HB   LEU   8          2HB       LEU   8   4.815  -6.838  -3.364
   47    HG   LEU   8           HG       LEU   8   3.661  -8.804  -2.946
   48   1HD1  LEU   8          3HD2      LEU   8   5.621  -8.454  -1.430
   49   2HD1  LEU   8          1HD2      LEU   8   4.536  -7.851  -0.152
   50   3HD1  LEU   8          2HD2      LEU   8   4.407  -9.535  -0.713
   51   1HD2  LEU   8          2HD1      LEU   8   1.383  -7.903  -2.384
   52   2HD2  LEU   8          3HD1      LEU   8   1.886  -9.258  -1.354
   53   3HD2  LEU   8          1HD1      LEU   8   1.923  -7.604  -0.713
   54   1HN   ABA   9           HN       MLA   9   4.772  -3.216  -0.934
   55    HA   ABA   9           HA       MLA   9   6.413  -2.260  -3.227
   56   1HB   ABA   9           HB       MLA   9   6.873  -0.300  -1.558
   57   1HG   ABA   9          1HG2      MLA   9   8.445  -2.245  -1.831
   58   2HG   ABA   9          2HG2      MLA   9   8.361  -1.679  -0.142
   59   3HG   ABA   9          3HG2      MLA   9   7.514  -3.166  -0.624
   60    H    ILE  10           H        ILE  10   3.061  -1.676  -2.657
   61    HA   ILE  10           HA       ILE  10   3.137   1.079  -3.827
   62    HB   ILE  10           HB       ILE  10   1.457  -1.046  -5.324
   63   1HG1  ILE  10          1HG1      ILE  10   2.909  -0.423  -7.428
   64   2HG1  ILE  10          2HG1      ILE  10   4.159   0.067  -6.308
   65   1HG2  ILE  10          2HG2      ILE  10   0.516   1.281  -5.329
   66   2HG2  ILE  10          3HG2      ILE  10   2.031   1.912  -6.013
   67   3HG2  ILE  10          1HG2      ILE  10   1.004   0.800  -6.954
   68   1HD1  ILE  10          1HD1      ILE  10   2.860  -2.751  -6.470
   69   2HD1  ILE  10          2HD1      ILE  10   4.397  -2.274  -7.228
   70   3HD1  ILE  10          3HD1      ILE  10   4.268  -2.325  -5.466
   71    H    GLU  11           H        GLU  11   2.029   1.977  -2.324
   72    HA   GLU  11           HA       GLU  11   0.194   2.758  -1.063
   73   1HB   GLU  11          1HB       GLU  11  -0.942   3.038  -3.140
   74   2HB   GLU  11          2HB       GLU  11  -1.220   1.323  -3.295
   75   1HG   GLU  11          1HG       GLU  11  -3.071   1.468  -1.619
   76   2HG   GLU  11          2HG       GLU  11  -2.579   3.096  -1.153
   77    HE2  GLU  11           HE2      GLU  11  -4.241   4.652  -3.730
   78    H    CYS  12           HN       LAS  12   1.443   1.137   0.381
   79    HA   CYS  12           HA       LAS  12  -0.259  -0.958   1.732
   80   1HB   CYS  12          2HB       LAS  12   2.484   0.227   2.446
   81   2HB   CYS  12          1HB       LAS  12   1.647  -0.861   3.553
   82    H    GLY  13           H        GLY  13   0.508   2.455   2.132
   83   1HA   GLY  13          1HA       GLY  13  -1.600   2.752   4.280
   84   2HA   GLY  13          2HA       GLY  13   0.035   2.977   4.877
   85   1HN   ABA  14           HN       MLA  14   0.926   4.466   2.401
   86    HA   ABA  14           HA       MLA  14   0.022   7.078   3.584
   87   1HB   ABA  14           HB       MLA  14  -0.441   8.330   1.781
   88   1HG   ABA  14          1HG2      MLA  14  -2.349   6.740   1.930
   89   2HG   ABA  14          2HG2      MLA  14  -2.097   7.329   0.264
   90   3HG   ABA  14          3HG2      MLA  14  -1.581   5.689   0.713
   91    H    VAL  15           H        VAL  15   2.434   5.291   3.746
   92    HA   VAL  15           HA       VAL  15   4.604   7.323   3.114
   93    HB   VAL  15           HB       VAL  15   4.126   6.290   5.971
   94   1HG1  VAL  15          2HG1      VAL  15   6.280   8.269   4.968
   95   2HG1  VAL  15          1HG1      VAL  15   5.963   7.858   6.674
   96   3HG1  VAL  15          3HG1      VAL  15   6.572   6.621   5.570
   97   1HG2  VAL  15          3HG2      VAL  15   3.749   9.167   4.905
   98   2HG2  VAL  15          1HG2      VAL  15   2.463   8.085   5.489
   99   3HG2  VAL  15          2HG2      VAL  15   3.681   8.683   6.620
  100    H    ILE  16           H        ILE  16   3.963   4.060   4.320
  101    HA   ILE  16           HA       ILE  16   6.820   3.359   4.553
  102    HB   ILE  16           HB       ILE  16   4.240   1.756   4.884
  103   1HG1  ILE  16          1HG1      ILE  16   6.407   2.449   6.964
  104   2HG1  ILE  16          2HG1      ILE  16   5.065   3.517   6.617
  105   1HG2  ILE  16          1HG2      ILE  16   5.845   0.044   4.066
  106   2HG2  ILE  16          2HG2      ILE  16   7.050   0.544   5.278
  107   3HG2  ILE  16          3HG2      ILE  16   5.509  -0.204   5.773
  108   1HD1  ILE  16          3HD1      ILE  16   3.403   1.736   7.292
  109   2HD1  ILE  16          1HD1      ILE  16   4.760   0.675   7.757
  110   3HD1  ILE  16          2HD1      ILE  16   4.509   2.217   8.600
  111    H    CYS  17           HN       LAS  17   4.416   1.994   2.293
  112    HA   CYS  17           HA       LAS  17   6.615   1.205   0.292
  113   1HB   CYS  17          2HB       LAS  17   3.800   0.266   0.854
  114   2HB   CYS  17          1HB       LAS  17   4.167   0.397  -0.820
  115    H    ALA  18           H        ALA  18   5.348   1.617  -1.999
  116    HA   ALA  18           HA       ALA  18   5.201   4.687  -2.360
  117   1HB   ALA  18          1HB       ALA  18   6.547   3.345  -4.044
  118   2HB   ALA  18          2HB       ALA  18   5.053   2.512  -4.551
  119   3HB   ALA  18          3HB       ALA  18   5.221   4.266  -4.779
  120   1HN   CSX  19           HN       LAS  19   3.374   3.887  -0.788
  121    HA   CSX  19           HA       LAS  19   2.581   6.224  -2.241
  122   1HB   CSX  19          1HB       LAS  19   0.128   5.487  -1.313
  123   2HB   CSX  19          2HB       LAS  19   0.920   5.065   0.189
  124    HXT  CSX  19           HO       LAS  19   4.169   5.899   1.505
   
  No H/Q in entry =         124
  Start of MODEL    6
    1   1HN   DAL   1          1HN       LAN   1  -4.558  -2.592   3.872
    2   2HN   DAL   1          2HN       LAN   1  -6.130  -2.149   3.823
    3    HA   DAL   1           HA       LAN   1  -5.251  -2.321   1.633
    4   1HB   DAL   1          1HB       LAN   1  -3.203  -0.239   2.643
    5   2HB   DAL   1          2HB       LAN   1  -3.416  -0.698   0.951
    6    H    SER   2           H        SER   2  -5.190  -0.373  -0.009
    7    HA   SER   2           HA       SER   2  -7.839   1.127   0.439
    8   1HB   SER   2          1HB       SER   2  -5.855   1.347  -1.906
    9   2HB   SER   2          2HB       SER   2  -7.423   2.154  -1.806
   10    HG   SER   2           HG       SER   2  -6.712   3.155   0.117
   11    H    GLY   3           H        GLY   3  -8.348  -1.180   0.743
   12   1HA   GLY   3          1HA       GLY   3  -9.909  -2.973  -0.122
   13   2HA   GLY   3          2HA       GLY   3  -9.326  -2.697  -1.753
   14    H    TRP   4           H        TRP   4  -7.520  -4.123  -2.363
   15    HA   TRP   4           HA       TRP   4  -5.310  -4.301  -0.468
   16   1HB   TRP   4          1HB       TRP   4  -6.386  -6.889  -1.490
   17   2HB   TRP   4          2HB       TRP   4  -4.749  -6.744  -0.917
   18    HD1  TRP   4           HD1      TRP   4  -4.374  -6.040   1.781
   19    HE1  TRP   4           HE1      TRP   4  -5.725  -6.640   3.957
   20    HE3  TRP   4           HE3      TRP   4  -8.688  -7.368  -0.597
   21    HZ2  TRP   4           HZ2      TRP   4  -8.428  -7.564   4.400
   22    HZ3  TRP   4           HZ3      TRP   4 -10.637  -8.062   0.756
   23    HH2  TRP   4           HH2      TRP   4 -10.506  -8.157   3.212
   24    H    VAL   5           H        VAL   5  -5.036  -2.831  -2.046
   25    HA   VAL   5           HA       VAL   5  -3.367  -3.788  -4.423
   26    HB   VAL   5           HB       VAL   5  -3.551  -0.878  -3.526
   27   1HG1  VAL   5          1HG1      VAL   5  -1.334  -1.421  -4.587
   28   2HG1  VAL   5          2HG1      VAL   5  -2.162  -2.139  -5.987
   29   3HG1  VAL   5          3HG1      VAL   5  -2.312  -0.397  -5.648
   30   1HG2  VAL   5          1HG2      VAL   5  -4.829  -2.236  -5.980
   31   2HG2  VAL   5          2HG2      VAL   5  -5.700  -1.577  -4.575
   32   3HG2  VAL   5          3HG2      VAL   5  -4.801  -0.486  -5.640
   33    H    CYS   6           HN       LAS   6  -2.361  -1.664  -1.824
   34    HA   CYS   6           HA       LAS   6  -1.054  -2.027   0.042
   35   1HB   CYS   6          1HB       LAS   6  -3.566  -3.132   0.167
   36   2HB   CYS   6          2HB       LAS   6  -2.564  -4.424   0.806
   37   1HN   ABA   7           HN       MLA   7   0.437  -2.763   0.839
   38    HA   ABA   7           HA       MLA   7   1.159  -5.441   1.467
   39   1HB   ABA   7           HB       MLA   7   2.766  -4.102   3.039
   40   1HG   ABA   7          1HG2      MLA   7   0.361  -4.626   3.652
   41   2HG   ABA   7          2HG2      MLA   7  -0.147  -3.105   2.923
   42   3HG   ABA   7          3HG2      MLA   7   0.923  -3.082   4.339
   43    H    LEU   8           H        LEU   8   2.121  -4.751  -1.360
   44    HA   LEU   8           HA       LEU   8   4.951  -5.893  -1.031
   45   1HB   LEU   8          1HB       LEU   8   4.753  -7.143  -2.989
   46   2HB   LEU   8          2HB       LEU   8   3.373  -7.547  -2.011
   47    HG   LEU   8           HG       LEU   8   3.306  -5.723  -4.508
   48   1HD1  LEU   8          3HD2      LEU   8   3.889  -8.084  -5.066
   49   2HD1  LEU   8          1HD2      LEU   8   2.438  -8.667  -4.214
   50   3HD1  LEU   8          2HD2      LEU   8   2.279  -7.664  -5.678
   51   1HD2  LEU   8          3HD1      LEU   8   0.927  -6.830  -2.877
   52   2HD2  LEU   8          1HD1      LEU   8   1.366  -5.117  -3.098
   53   3HD2  LEU   8          2HD1      LEU   8   0.798  -6.057  -4.478
   54   1HN   ABA   9           HN       MLA   9   4.579  -3.248  -0.764
   55    HA   ABA   9           HA       MLA   9   6.434  -2.272  -2.933
   56   1HB   ABA   9           HB       MLA   9   6.818  -0.350  -1.275
   57   1HG   ABA   9          1HG2      MLA   9   7.343  -3.201  -0.215
   58   2HG   ABA   9          2HG2      MLA   9   8.357  -2.354  -1.406
   59   3HG   ABA   9          3HG2      MLA   9   8.207  -1.724   0.259
   60    H    ILE  10           H        ILE  10   3.024  -1.780  -2.344
   61    HA   ILE  10           HA       ILE  10   3.048   0.895  -3.725
   62    HB   ILE  10           HB       ILE  10   1.241  -1.296  -4.926
   63   1HG1  ILE  10          1HG1      ILE  10   2.716  -1.019  -7.116
   64   2HG1  ILE  10          2HG1      ILE  10   4.018  -0.584  -6.032
   65   1HG2  ILE  10          2HG2      ILE  10   0.494   1.085  -5.168
   66   2HG2  ILE  10          3HG2      ILE  10   2.022   1.498  -5.980
   67   3HG2  ILE  10          1HG2      ILE  10   0.868   0.371  -6.740
   68   1HD1  ILE  10          2HD1      ILE  10   2.388  -3.228  -6.029
   69   2HD1  ILE  10          3HD1      ILE  10   4.044  -3.007  -6.641
   70   3HD1  ILE  10          1HD1      ILE  10   3.719  -2.888  -4.901
   71    H    GLU  11           H        GLU  11   2.055   1.903  -2.152
   72    HA   GLU  11           HA       GLU  11   0.515   2.628  -0.630
   73   1HB   GLU  11          1HB       GLU  11  -1.612   3.066  -1.421
   74   2HB   GLU  11          2HB       GLU  11  -0.587   3.090  -2.845
   75   1HG   GLU  11          1HG       GLU  11  -1.385   0.783  -3.476
   76   2HG   GLU  11          2HG       GLU  11  -2.513   0.808  -2.125
   77    HE2  GLU  11           HE2      GLU  11  -3.259   2.765  -5.535
   78    H    CYS  12           HN       LAS  12   1.559   0.814   0.565
   79    HA   CYS  12           HA       LAS  12  -0.269  -1.028   2.058
   80   1HB   CYS  12          2HB       LAS  12   2.518   0.143   2.735
   81   2HB   CYS  12          1HB       LAS  12   1.677  -0.963   3.823
   82    H    GLY  13           H        GLY  13   0.601   2.352   2.222
   83   1HA   GLY  13          1HA       GLY  13  -1.192   2.798   4.671
   84   2HA   GLY  13          2HA       GLY  13   0.510   3.157   4.883
   85   1HN   ABA  14           HN       MLA  14   1.028   4.509   2.402
   86    HA   ABA  14           HA       MLA  14   0.030   7.099   3.538
   87   1HB   ABA  14           HB       MLA  14  -0.513   8.303   1.723
   88   1HG   ABA  14          1HG2      MLA  14  -2.357   6.650   1.960
   89   2HG   ABA  14          2HG2      MLA  14  -2.172   7.205   0.272
   90   3HG   ABA  14          3HG2      MLA  14  -1.584   5.596   0.750
   91    H    VAL  15           H        VAL  15   2.469   5.434   3.761
   92    HA   VAL  15           HA       VAL  15   4.605   7.430   2.949
   93    HB   VAL  15           HB       VAL  15   4.197   6.608   5.886
   94   1HG1  VAL  15          2HG2      VAL  15   6.323   8.511   4.691
   95   2HG1  VAL  15          3HG2      VAL  15   6.046   8.227   6.429
   96   3HG1  VAL  15          1HG2      VAL  15   6.632   6.912   5.406
   97   1HG2  VAL  15          1HG1      VAL  15   3.789   9.400   4.621
   98   2HG2  VAL  15          3HG1      VAL  15   2.519   8.362   5.310
   99   3HG2  VAL  15          2HG1      VAL  15   3.759   9.042   6.368
  100    H    ILE  16           H        ILE  16   3.981   4.253   4.368
  101    HA   ILE  16           HA       ILE  16   6.832   3.519   4.583
  102    HB   ILE  16           HB       ILE  16   4.239   1.958   5.002
  103   1HG1  ILE  16          1HG1      ILE  16   6.438   2.696   7.031
  104   2HG1  ILE  16          2HG1      ILE  16   5.102   3.766   6.667
  105   1HG2  ILE  16          1HG2      ILE  16   5.817   0.203   4.222
  106   2HG2  ILE  16          2HG2      ILE  16   7.043   0.731   5.400
  107   3HG2  ILE  16          3HG2      ILE  16   5.503   0.014   5.940
  108   1HD1  ILE  16          3HD1      ILE  16   3.432   2.025   7.419
  109   2HD1  ILE  16          1HD1      ILE  16   4.784   0.965   7.902
  110   3HD1  ILE  16          2HD1      ILE  16   4.558   2.536   8.697
  111    H    CYS  17           HN       LAS  17   4.369   2.117   2.407
  112    HA   CYS  17           HA       LAS  17   6.523   1.210   0.415
  113   1HB   CYS  17          2HB       LAS  17   3.687   0.367   1.042
  114   2HB   CYS  17          1HB       LAS  17   4.046   0.407  -0.638
  115    H    ALA  18           H        ALA  18   5.257   1.551  -1.879
  116    HA   ALA  18           HA       ALA  18   5.143   4.609  -2.380
  117   1HB   ALA  18          1HB       ALA  18   6.482   3.181  -4.002
  118   2HB   ALA  18          2HB       ALA  18   4.980   2.340  -4.471
  119   3HB   ALA  18          3HB       ALA  18   5.162   4.080  -4.774
  120   1HN   CSX  19           HN       LAS  19   3.337   3.907  -0.766
  121    HA   CSX  19           HA       LAS  19   2.487   6.142  -2.338
  122   1HB   CSX  19          1HB       LAS  19   0.057   5.431  -1.347
  123   2HB   CSX  19          2HB       LAS  19   0.865   5.055   0.155
  124    HXT  CSX  19           HO       LAS  19   4.136   6.052   1.395
   
  No H/Q in entry =         124
  Start of MODEL    7
    1   1HN   DAL   1          1HN       LAN   1  -4.866  -2.788   3.463
    2   2HN   DAL   1          2HN       LAN   1  -6.401  -2.236   3.356
    3    HA   DAL   1           HA       LAN   1  -5.360  -2.196   1.234
    4   1HB   DAL   1          1HB       LAN   1  -3.312  -0.335   2.599
    5   2HB   DAL   1          2HB       LAN   1  -3.379  -0.686   0.873
    6    H    SER   2           H        SER   2  -5.092  -0.086  -0.156
    7    HA   SER   2           HA       SER   2  -7.643   1.548   0.315
    8   1HB   SER   2          1HB       SER   2  -5.689   2.820  -0.586
    9   2HB   SER   2          2HB       SER   2  -5.606   1.741  -1.986
   10    HG   SER   2           HG       SER   2  -6.802   3.621  -2.371
   11    H    GLY   3           H        GLY   3  -8.333  -0.719   0.471
   12   1HA   GLY   3          1HA       GLY   3 -10.076  -2.276  -0.557
   13   2HA   GLY   3          2HA       GLY   3  -9.319  -2.050  -2.125
   14    H    TRP   4           H        TRP   4  -7.680  -3.723  -2.594
   15    HA   TRP   4           HA       TRP   4  -5.599  -3.965  -0.580
   16   1HB   TRP   4          1HB       TRP   4  -6.742  -6.530  -1.585
   17   2HB   TRP   4          2HB       TRP   4  -5.131  -6.442  -0.936
   18    HD1  TRP   4           HD1      TRP   4  -4.858  -5.639   1.754
   19    HE1  TRP   4           HE1      TRP   4  -6.334  -6.108   3.880
   20    HE3  TRP   4           HE3      TRP   4  -9.096  -6.909  -0.786
   21    HZ2  TRP   4           HZ2      TRP   4  -9.087  -6.920   4.221
   22    HZ3  TRP   4           HZ3      TRP   4 -11.133  -7.480   0.492
   23    HH2  TRP   4           HH2      TRP   4 -11.126  -7.485   2.953
   24    H    VAL   5           H        VAL   5  -5.138  -2.578  -2.148
   25    HA   VAL   5           HA       VAL   5  -3.503  -3.637  -4.508
   26    HB   VAL   5           HB       VAL   5  -3.468  -0.732  -3.526
   27   1HG1  VAL   5          1HG1      VAL   5  -1.282  -1.414  -4.564
   28   2HG1  VAL   5          2HG1      VAL   5  -2.137  -2.007  -6.005
   29   3HG1  VAL   5          3HG1      VAL   5  -2.163  -0.273  -5.589
   30   1HG2  VAL   5          1HG2      VAL   5  -4.799  -1.938  -6.032
   31   2HG2  VAL   5          2HG2      VAL   5  -5.646  -1.256  -4.623
   32   3HG2  VAL   5          3HG2      VAL   5  -4.657  -0.203  -5.645
   33    H    CYS   6           HN       LAS   6  -2.367  -1.672  -1.875
   34    HA   CYS   6           HA       LAS   6  -1.161  -2.111   0.017
   35   1HB   CYS   6          1HB       LAS   6  -3.643  -3.218   0.027
   36   2HB   CYS   6          2HB       LAS   6  -2.643  -4.507   0.683
   37   1HN   ABA   7           HN       MLA   7   0.351  -2.789   0.745
   38    HA   ABA   7           HA       MLA   7   1.094  -5.415   1.443
   39   1HB   ABA   7           HB       MLA   7   2.642  -4.028   3.006
   40   1HG   ABA   7          1HG2      MLA   7   0.220  -4.500   3.572
   41   2HG   ABA   7          2HG2      MLA   7  -0.252  -3.004   2.775
   42   3HG   ABA   7          3HG2      MLA   7   0.778  -2.935   4.217
   43    H    LEU   8           H        LEU   8   2.091  -4.850  -1.386
   44    HA   LEU   8           HA       LEU   8   4.940  -5.916  -0.966
   45   1HB   LEU   8          1HB       LEU   8   4.820  -7.212  -2.904
   46   2HB   LEU   8          2HB       LEU   8   3.482  -7.658  -1.886
   47    HG   LEU   8           HG       LEU   8   3.250  -5.944  -4.450
   48   1HD1  LEU   8          2HD1      LEU   8   3.999  -8.275  -4.933
   49   2HD1  LEU   8          3HD1      LEU   8   2.610  -8.931  -4.032
   50   3HD1  LEU   8          1HD1      LEU   8   2.353  -7.998  -5.527
   51   1HD2  LEU   8          2HD2      LEU   8   0.991  -7.160  -2.728
   52   2HD2  LEU   8          3HD2      LEU   8   1.291  -5.429  -3.033
   53   3HD2  LEU   8          1HD2      LEU   8   0.773  -6.473  -4.357
   54   1HN   ABA   9           HN       MLA   9   4.854  -3.444  -0.650
   55    HA   ABA   9           HA       MLA   9   6.580  -2.435  -2.854
   56   1HB   ABA   9           HB       MLA   9   6.964  -0.494  -1.202
   57   1HG   ABA   9          1HG2      MLA   9   8.479  -2.517  -1.272
   58   2HG   ABA   9          2HG2      MLA   9   8.300  -1.857   0.378
   59   3HG   ABA   9          3HG2      MLA   9   7.430  -3.333  -0.089
   60    H    ILE  10           H        ILE  10   3.190  -1.976  -2.429
   61    HA   ILE  10           HA       ILE  10   3.211   0.672  -3.913
   62    HB   ILE  10           HB       ILE  10   1.761  -1.774  -5.049
   63   1HG1  ILE  10          1HG1      ILE  10   4.152  -2.022  -5.601
   64   2HG1  ILE  10          2HG1      ILE  10   3.135  -1.824  -7.000
   65   1HG2  ILE  10          2HG2      ILE  10   0.451   0.282  -5.448
   66   2HG2  ILE  10          3HG2      ILE  10   1.861   1.103  -6.147
   67   3HG2  ILE  10          1HG2      ILE  10   1.125  -0.293  -6.980
   68   1HD1  ILE  10          2HD1      ILE  10   4.896   0.441  -5.844
   69   2HD1  ILE  10          3HD1      ILE  10   5.299  -0.589  -7.235
   70   3HD1  ILE  10          1HD1      ILE  10   3.924   0.533  -7.331
   71    H    GLU  11           H        GLU  11   2.095   1.670  -2.418
   72    HA   GLU  11           HA       GLU  11   0.257   2.526  -1.224
   73   1HB   GLU  11          1HB       GLU  11  -0.851   2.691  -3.349
   74   2HB   GLU  11          2HB       GLU  11  -1.127   0.973  -3.393
   75   1HG   GLU  11          1HG       GLU  11  -3.152   2.358  -3.124
   76   2HG   GLU  11          2HG       GLU  11  -3.005   1.220  -1.810
   77    HE1  GLU  11           HE2      GLU  11  -2.813   5.223  -1.219
   78    H    CYS  12           HN       LAS  12   1.444   1.021   0.360
   79    HA   CYS  12           HA       LAS  12  -0.282  -1.020   1.772
   80   1HB   CYS  12          2HB       LAS  12   2.407   0.262   2.514
   81   2HB   CYS  12          1HB       LAS  12   1.567  -0.804   3.638
   82    H    GLY  13           H        GLY  13   0.390   2.424   1.978
   83   1HA   GLY  13          1HA       GLY  13  -1.809   2.803   4.013
   84   2HA   GLY  13          2HA       GLY  13  -0.210   3.065   4.686
   85   1HN   ABA  14           HN       MLA  14   0.782   4.461   2.179
   86    HA   ABA  14           HA       MLA  14  -0.157   7.109   3.244
   87   1HB   ABA  14           HB       MLA  14  -0.555   8.305   1.377
   88   1HG   ABA  14          1HG2      MLA  14  -2.492   6.758   1.572
   89   2HG   ABA  14          2HG2      MLA  14  -2.199   7.240  -0.124
   90   3HG   ABA  14          3HG2      MLA  14  -1.712   5.627   0.439
   91    H    VAL  15           H        VAL  15   2.242   5.345   3.548
   92    HA   VAL  15           HA       VAL  15   4.427   7.362   2.916
   93    HB   VAL  15           HB       VAL  15   3.829   6.451   5.792
   94   1HG1  VAL  15          2HG1      VAL  15   6.029   8.385   4.801
   95   2HG1  VAL  15          1HG1      VAL  15   5.634   8.050   6.507
   96   3HG1  VAL  15          3HG1      VAL  15   6.290   6.764   5.488
   97   1HG2  VAL  15          3HG2      VAL  15   3.503   9.278   4.584
   98   2HG2  VAL  15          1HG2      VAL  15   2.191   8.221   5.156
   99   3HG2  VAL  15          2HG2      VAL  15   3.357   8.870   6.313
  100    H    ILE  16           H        ILE  16   3.772   4.161   4.276
  101    HA   ILE  16           HA       ILE  16   6.628   3.510   4.609
  102    HB   ILE  16           HB       ILE  16   4.076   1.867   4.954
  103   1HG1  ILE  16          1HG1      ILE  16   4.347   3.575   6.651
  104   2HG1  ILE  16          2HG1      ILE  16   4.470   1.975   7.332
  105   1HG2  ILE  16          2HG2      ILE  16   6.874   0.752   5.535
  106   2HG2  ILE  16          3HG2      ILE  16   5.329   0.041   6.077
  107   3HG2  ILE  16          1HG2      ILE  16   5.692   0.140   4.354
  108   1HD1  ILE  16          3HD1      ILE  16   7.011   2.240   7.490
  109   2HD1  ILE  16          1HD1      ILE  16   6.847   3.897   6.846
  110   3HD1  ILE  16          2HD1      ILE  16   6.112   3.471   8.405
  111    H    CYS  17           HN       LAS  17   4.299   2.002   2.366
  112    HA   CYS  17           HA       LAS  17   6.563   1.157   0.463
  113   1HB   CYS  17          2HB       LAS  17   3.706   0.246   0.922
  114   2HB   CYS  17          1HB       LAS  17   4.196   0.275  -0.717
  115    H    ALA  18           H        ALA  18   5.414   1.488  -1.880
  116    HA   ALA  18           HA       ALA  18   5.169   4.536  -2.346
  117   1HB   ALA  18          1HB       ALA  18   6.665   3.221  -3.902
  118   2HB   ALA  18          2HB       ALA  18   5.252   2.279  -4.448
  119   3HB   ALA  18          3HB       ALA  18   5.329   4.029  -4.745
  120   1HN   CSX  19           HN       LAS  19   3.287   3.756  -0.849
  121    HA   CSX  19           HA       LAS  19   2.481   5.948  -2.513
  122   1HB   CSX  19          1HB       LAS  19   0.031   5.278  -1.548
  123   2HB   CSX  19          2HB       LAS  19   0.810   4.951  -0.020
  124    HXT  CSX  19           HO       LAS  19   4.031   5.993   1.265
   
  No H/Q in entry =         124
  Start of MODEL    8
    1   1HN   DAL   1          1HN       LAN   1  -4.790  -2.729   3.587
    2   2HN   DAL   1          2HN       LAN   1  -6.328  -2.182   3.499
    3    HA   DAL   1           HA       LAN   1  -5.326  -2.174   1.358
    4   1HB   DAL   1          1HB       LAN   1  -3.256  -0.289   2.657
    5   2HB   DAL   1          2HB       LAN   1  -3.356  -0.665   0.937
    6    H    SER   2           H        SER   2  -5.086  -0.083  -0.069
    7    HA   SER   2           HA       SER   2  -7.635   1.549   0.421
    8   1HB   SER   2          1HB       SER   2  -5.702   2.818  -0.525
    9   2HB   SER   2          2HB       SER   2  -5.634   1.723  -1.913
   10    HG   SER   2           HG       SER   2  -7.855   3.298  -1.100
   11    H    GLY   3           H        GLY   3  -8.313  -0.720   0.616
   12   1HA   GLY   3          1HA       GLY   3 -10.065  -2.295  -0.365
   13   2HA   GLY   3          2HA       GLY   3  -9.336  -2.084  -1.948
   14    H    TRP   4           H        TRP   4  -7.697  -3.753  -2.428
   15    HA   TRP   4           HA       TRP   4  -5.584  -3.972  -0.445
   16   1HB   TRP   4          1HB       TRP   4  -6.736  -6.549  -1.409
   17   2HB   TRP   4          2HB       TRP   4  -5.115  -6.450  -0.785
   18    HD1  TRP   4           HD1      TRP   4  -4.806  -5.622   1.894
   19    HE1  TRP   4           HE1      TRP   4  -6.250  -6.078   4.045
   20    HE3  TRP   4           HE3      TRP   4  -9.076  -6.928  -0.574
   21    HZ2  TRP   4           HZ2      TRP   4  -8.995  -6.895   4.433
   22    HZ3  TRP   4           HZ3      TRP   4 -11.093  -7.495   0.738
   23    HH2  TRP   4           HH2      TRP   4 -11.050  -7.478   3.199
   24    H    VAL   5           H        VAL   5  -5.151  -2.597  -2.033
   25    HA   VAL   5           HA       VAL   5  -3.549  -3.674  -4.406
   26    HB   VAL   5           HB       VAL   5  -3.509  -0.759  -3.455
   27   1HG1  VAL   5          2HG2      VAL   5  -1.336  -1.445  -4.517
   28   2HG1  VAL   5          3HG2      VAL   5  -2.210  -2.055  -5.940
   29   3HG1  VAL   5          1HG2      VAL   5  -2.236  -0.318  -5.541
   30   1HG2  VAL   5          3HG1      VAL   5  -4.873  -1.995  -5.929
   31   2HG2  VAL   5          1HG1      VAL   5  -5.701  -1.301  -4.515
   32   3HG2  VAL   5          2HG1      VAL   5  -4.730  -0.256  -5.562
   33    H    CYS   6           HN       LAS   6  -2.380  -1.677  -1.810
   34    HA   CYS   6           HA       LAS   6  -1.142  -2.096   0.067
   35   1HB   CYS   6          1HB       LAS   6  -3.625  -3.203   0.128
   36   2HB   CYS   6          2HB       LAS   6  -2.616  -4.484   0.782
   37   1HN   ABA   7           HN       MLA   7   0.381  -2.768   0.774
   38    HA   ABA   7           HA       MLA   7   1.126  -5.384   1.503
   39   1HB   ABA   7           HB       MLA   7   2.698  -3.973   3.021
   40   1HG   ABA   7          1HG2      MLA   7  -0.197  -2.952   2.817
   41   2HG   ABA   7          2HG2      MLA   7   0.854  -2.863   4.243
   42   3HG   ABA   7          3HG2      MLA   7   0.286  -4.437   3.629
   43    H    LEU   8           H        LEU   8   2.099  -4.859  -1.346
   44    HA   LEU   8           HA       LEU   8   4.957  -5.906  -0.937
   45   1HB   LEU   8          1HB       LEU   8   4.829  -7.219  -2.865
   46   2HB   LEU   8          2HB       LEU   8   3.502  -7.664  -1.832
   47    HG   LEU   8           HG       LEU   8   3.236  -5.968  -4.405
   48   1HD1  LEU   8          2HD1      LEU   8   3.999  -8.294  -4.882
   49   2HD1  LEU   8          3HD1      LEU   8   2.624  -8.958  -3.965
   50   3HD1  LEU   8          1HD1      LEU   8   2.345  -8.035  -5.463
   51   1HD2  LEU   8          2HD2      LEU   8   1.002  -7.192  -2.656
   52   2HD2  LEU   8          3HD2      LEU   8   1.285  -5.461  -2.974
   53   3HD2  LEU   8          1HD2      LEU   8   0.764  -6.517  -4.287
   54   1HN   ABA   9           HN       MLA   9   4.859  -3.426  -0.644
   55    HA   ABA   9           HA       MLA   9   6.563  -2.434  -2.874
   56   1HB   ABA   9           HB       MLA   9   6.965  -0.473  -1.268
   57   1HG   ABA   9          1HG2      MLA   9   8.468  -2.506  -1.293
   58   2HG   ABA   9          2HG2      MLA   9   8.304  -1.799   0.339
   59   3HG   ABA   9          3HG2      MLA   9   7.422  -3.283  -0.080
   60    H    ILE  10           H        ILE  10   3.174  -1.988  -2.410
   61    HA   ILE  10           HA       ILE  10   3.161   0.627  -3.954
   62    HB   ILE  10           HB       ILE  10   1.699  -1.850  -5.006
   63   1HG1  ILE  10          1HG1      ILE  10   4.082  -2.122  -5.580
   64   2HG1  ILE  10          2HG1      ILE  10   3.046  -1.961  -6.970
   65   1HG2  ILE  10          2HG2      ILE  10   0.392   0.203  -5.443
   66   2HG2  ILE  10          3HG2      ILE  10   1.796   0.996  -6.184
   67   3HG2  ILE  10          1HG2      ILE  10   1.042  -0.419  -6.968
   68   1HD1  ILE  10          3HD1      ILE  10   4.833   0.329  -5.907
   69   2HD1  ILE  10          1HD1      ILE  10   5.210  -0.742  -7.273
   70   3HD1  ILE  10          2HD1      ILE  10   3.839   0.383  -7.381
   71    H    GLU  11           H        GLU  11   2.069   1.650  -2.458
   72    HA   GLU  11           HA       GLU  11   0.248   2.529  -1.252
   73   1HB   GLU  11          1HB       GLU  11  -0.897   2.660  -3.357
   74   2HB   GLU  11          2HB       GLU  11  -1.163   0.940  -3.378
   75   1HG   GLU  11          1HG       GLU  11  -3.196   2.309  -3.099
   76   2HG   GLU  11          2HG       GLU  11  -3.022   1.188  -1.776
   77    HE1  GLU  11           HE2      GLU  11  -2.812   5.203  -1.230
   78    H    CYS  12           HN       LAS  12   1.459   1.050   0.339
   79    HA   CYS  12           HA       LAS  12  -0.241  -0.978   1.800
   80   1HB   CYS  12          2HB       LAS  12   2.466   0.303   2.476
   81   2HB   CYS  12          1HB       LAS  12   1.640  -0.750   3.626
   82    H    GLY  13           H        GLY  13   0.446   2.465   1.972
   83   1HA   GLY  13          1HA       GLY  13  -1.637   2.844   4.153
   84   2HA   GLY  13          2HA       GLY  13   0.011   3.158   4.667
   85   1HN   ABA  14           HN       MLA  14   0.901   4.554   2.262
   86    HA   ABA  14           HA       MLA  14  -0.161   7.174   3.223
   87   1HB   ABA  14           HB       MLA  14  -0.573   8.317   1.317
   88   1HG   ABA  14          1HG2      MLA  14  -2.462   6.727   1.559
   89   2HG   ABA  14          2HG2      MLA  14  -2.189   7.170  -0.151
   90   3HG   ABA  14          3HG2      MLA  14  -1.656   5.585   0.456
   91    H    VAL  15           H        VAL  15   2.236   5.574   3.710
   92    HA   VAL  15           HA       VAL  15   4.435   7.424   2.762
   93    HB   VAL  15           HB       VAL  15   3.235   8.250   4.848
   94   1HG1  VAL  15          1HG2      VAL  15   3.018   6.101   6.142
   95   2HG1  VAL  15          2HG2      VAL  15   4.778   6.111   6.420
   96   3HG1  VAL  15          3HG2      VAL  15   3.762   7.414   7.077
   97   1HG2  VAL  15          3HG1      VAL  15   5.461   9.143   4.158
   98   2HG2  VAL  15          2HG1      VAL  15   5.279   9.138   5.922
   99   3HG2  VAL  15          1HG1      VAL  15   6.281   7.897   5.130
  100    H    ILE  16           H        ILE  16   3.794   4.237   4.062
  101    HA   ILE  16           HA       ILE  16   6.682   3.618   4.535
  102    HB   ILE  16           HB       ILE  16   4.129   1.980   4.865
  103   1HG1  ILE  16          1HG1      ILE  16   6.217   2.829   6.961
  104   2HG1  ILE  16          2HG1      ILE  16   4.832   3.814   6.544
  105   1HG2  ILE  16          1HG2      ILE  16   5.821   0.290   4.150
  106   2HG2  ILE  16          2HG2      ILE  16   6.969   0.880   5.376
  107   3HG2  ILE  16          3HG2      ILE  16   5.443   0.092   5.855
  108   1HD1  ILE  16          1HD1      ILE  16   3.242   1.985   7.254
  109   2HD1  ILE  16          2HD1      ILE  16   4.637   1.012   7.794
  110   3HD1  ILE  16          3HD1      ILE  16   4.292   2.574   8.564
  111    H    CYS  17           HN       LAS  17   4.368   2.025   2.279
  112    HA   CYS  17           HA       LAS  17   6.628   1.208   0.387
  113   1HB   CYS  17          2HB       LAS  17   3.752   0.371   0.873
  114   2HB   CYS  17          1HB       LAS  17   4.221   0.356  -0.771
  115    H    ALA  18           H        ALA  18   5.455   1.492  -1.972
  116    HA   ALA  18           HA       ALA  18   5.189   4.533  -2.541
  117   1HB   ALA  18          1HB       ALA  18   6.598   3.155  -4.134
  118   2HB   ALA  18          2HB       ALA  18   5.152   2.204  -4.564
  119   3HB   ALA  18          3HB       ALA  18   5.217   3.942  -4.921
  120   1HN   CSX  19           HN       LAS  19   3.468   3.886  -0.911
  121    HA   CSX  19           HA       LAS  19   2.422   5.906  -2.661
  122   1HB   CSX  19          1HB       LAS  19   0.097   5.199  -1.459
  123   2HB   CSX  19          2HB       LAS  19   1.001   4.999   0.023
  124    HXT  CSX  19           HO       LAS  19   4.614   7.876  -1.110
   
  No H/Q in entry =         124
  Start of MODEL    9
    1   1HN   DAL   1          1HN       LAN   1  -4.937  -0.992   4.316
    2   2HN   DAL   1          2HN       LAN   1  -4.640  -2.511   3.789
    3    HA   DAL   1           HA       LAN   1  -5.371  -1.998   1.575
    4   1HB   DAL   1          1HB       LAN   1  -3.173  -0.168   2.737
    5   2HB   DAL   1          2HB       LAN   1  -3.393  -0.520   1.023
    6    H    SER   2           H        SER   2  -5.153   0.151   0.147
    7    HA   SER   2           HA       SER   2  -7.677   1.772   0.797
    8   1HB   SER   2          1HB       SER   2  -5.758   2.027  -1.593
    9   2HB   SER   2          2HB       SER   2  -7.246   2.948  -1.364
   10    HG   SER   2           HG       SER   2  -5.421   4.047  -0.627
   11    H    GLY   3           H        GLY   3  -8.355  -0.504   0.927
   12   1HA   GLY   3          1HA       GLY   3 -10.175  -2.000  -0.065
   13   2HA   GLY   3          2HA       GLY   3  -9.485  -1.738  -1.659
   14    H    TRP   4           H        TRP   4  -7.903  -3.433  -2.255
   15    HA   TRP   4           HA       TRP   4  -5.756  -3.807  -0.299
   16   1HB   TRP   4          1HB       TRP   4  -6.875  -6.292  -1.530
   17   2HB   TRP   4          2HB       TRP   4  -5.359  -6.255  -0.690
   18    HD1  TRP   4           HD1      TRP   4  -9.015  -6.915  -0.040
   19    HE1  TRP   4           HE1      TRP   4  -9.595  -7.167   2.514
   20    HE3  TRP   4           HE3      TRP   4  -4.581  -5.124   1.713
   21    HZ2  TRP   4           HZ2      TRP   4  -8.134  -6.553   4.932
   22    HZ3  TRP   4           HZ3      TRP   4  -4.233  -4.941   4.153
   23    HH2  TRP   4           HH2      TRP   4  -5.985  -5.645   5.735
   24    H    VAL   5           H        VAL   5  -5.365  -2.292  -1.880
   25    HA   VAL   5           HA       VAL   5  -3.852  -3.250  -4.350
   26    HB   VAL   5           HB       VAL   5  -3.768  -0.384  -3.258
   27   1HG1  VAL   5          2HG2      VAL   5  -1.653  -0.988  -4.456
   28   2HG1  VAL   5          3HG2      VAL   5  -2.590  -1.543  -5.862
   29   3HG1  VAL   5          1HG2      VAL   5  -2.617   0.174  -5.378
   30   1HG2  VAL   5          3HG1      VAL   5  -5.256  -1.520  -5.709
   31   2HG2  VAL   5          1HG1      VAL   5  -6.012  -0.901  -4.220
   32   3HG2  VAL   5          2HG1      VAL   5  -5.108   0.201  -5.269
   33    H    CYS   6           HN       LAS   6  -2.517  -1.388  -1.738
   34    HA   CYS   6           HA       LAS   6  -1.209  -1.923   0.061
   35   1HB   CYS   6          1HB       LAS   6  -3.722  -3.002   0.162
   36   2HB   CYS   6          2HB       LAS   6  -2.710  -4.318   0.712
   37   1HN   ABA   7           HN       MLA   7   0.316  -2.673   0.689
   38    HA   ABA   7           HA       MLA   7   0.946  -5.331   1.325
   39   1HB   ABA   7           HB       MLA   7   2.642  -4.024   2.837
   40   1HG   ABA   7          1HG2      MLA   7   0.238  -4.446   3.504
   41   2HG   ABA   7          2HG2      MLA   7  -0.227  -2.924   2.753
   42   3HG   ABA   7          3HG2      MLA   7   0.869  -2.908   4.148
   43    H    LEU   8           H        LEU   8   1.973  -4.674  -1.527
   44    HA   LEU   8           HA       LEU   8   4.854  -5.735  -1.146
   45   1HB   LEU   8          1HB       LEU   8   3.022  -6.489  -3.489
   46   2HB   LEU   8          2HB       LEU   8   4.705  -6.928  -3.319
   47    HG   LEU   8           HG       LEU   8   2.481  -7.865  -1.405
   48   1HD1  LEU   8          2HD1      LEU   8   2.184  -8.807  -3.698
   49   2HD1  LEU   8          3HD1      LEU   8   3.863  -9.403  -3.698
   50   3HD1  LEU   8          1HD1      LEU   8   2.673 -10.071  -2.553
   51   1HD2  LEU   8          2HD2      LEU   8   5.430  -8.788  -1.593
   52   2HD2  LEU   8          3HD2      LEU   8   4.701  -7.876  -0.248
   53   3HD2  LEU   8          1HD2      LEU   8   4.173  -9.534  -0.575
   54   1HN   ABA   9           HN       MLA   9   4.781  -3.323  -0.863
   55    HA   ABA   9           HA       MLA   9   6.355  -2.324  -3.171
   56   1HB   ABA   9           HB       MLA   9   6.832  -0.369  -1.532
   57   1HG   ABA   9          1HG2      MLA   9   8.374  -2.348  -1.723
   58   2HG   ABA   9          2HG2      MLA   9   8.282  -1.720  -0.056
   59   3HG   ABA   9          3HG2      MLA   9   7.417  -3.210  -0.493
   60    H    ILE  10           H        ILE  10   3.017  -1.805  -2.549
   61    HA   ILE  10           HA       ILE  10   3.006   0.875  -3.990
   62    HB   ILE  10           HB       ILE  10   1.432  -1.514  -5.072
   63   1HG1  ILE  10          1HG1      ILE  10   3.783  -1.805  -5.768
   64   2HG1  ILE  10          2HG1      ILE  10   2.688  -1.568  -7.100
   65   1HG2  ILE  10          2HG2      ILE  10   0.148   0.574  -5.367
   66   2HG2  ILE  10          3HG2      ILE  10   1.536   1.378  -6.127
   67   3HG2  ILE  10          1HG2      ILE  10   0.724   0.015  -6.944
   68   1HD1  ILE  10          3HD1      ILE  10   4.560   0.648  -6.027
   69   2HD1  ILE  10          1HD1      ILE  10   4.862  -0.374  -7.449
   70   3HD1  ILE  10          2HD1      ILE  10   3.506   0.774  -7.454
   71    H    GLU  11           H        GLU  11   2.048   1.846  -2.373
   72    HA   GLU  11           HA       GLU  11   0.303   2.752  -1.052
   73   1HB   GLU  11          1HB       GLU  11  -0.864   3.045  -3.132
   74   2HB   GLU  11          2HB       GLU  11  -1.291   1.355  -3.185
   75   1HG   GLU  11          1HG       GLU  11  -3.040   1.753  -1.429
   76   2HG   GLU  11          2HG       GLU  11  -2.348   3.327  -1.042
   77    HE1  GLU  11           HE2      GLU  11  -4.629   2.761  -4.362
   78    H    CYS  12           HN       LAS  12   1.478   1.124   0.401
   79    HA   CYS  12           HA       LAS  12  -0.246  -0.920   1.801
   80   1HB   CYS  12          2HB       LAS  12   2.514   0.266   2.450
   81   2HB   CYS  12          1HB       LAS  12   1.700  -0.810   3.585
   82    H    GLY  13           H        GLY  13   0.518   2.486   2.114
   83   1HA   GLY  13          1HA       GLY  13  -1.554   2.818   4.301
   84   2HA   GLY  13          2HA       GLY  13   0.092   3.090   4.847
   85   1HN   ABA  14           HN       MLA  14   0.923   4.518   2.344
   86    HA   ABA  14           HA       MLA  14  -0.011   7.141   3.483
   87   1HB   ABA  14           HB       MLA  14  -0.403   8.375   1.649
   88   1HG   ABA  14          1HG2      MLA  14  -2.332   6.815   1.825
   89   2HG   ABA  14          2HG2      MLA  14  -2.069   7.374   0.151
   90   3HG   ABA  14          3HG2      MLA  14  -1.578   5.732   0.629
   91    H    VAL  15           H        VAL  15   2.397   5.347   3.724
   92    HA   VAL  15           HA       VAL  15   4.571   7.406   3.176
   93    HB   VAL  15           HB       VAL  15   4.030   6.274   5.983
   94   1HG1  VAL  15          2HG2      VAL  15   6.200   8.294   5.103
   95   2HG1  VAL  15          3HG2      VAL  15   5.839   7.827   6.785
   96   3HG1  VAL  15          1HG2      VAL  15   6.483   6.628   5.660
   97   1HG2  VAL  15          1HG1      VAL  15   3.669   9.183   4.998
   98   2HG2  VAL  15          3HG1      VAL  15   2.371   8.077   5.507
   99   3HG2  VAL  15          2HG1      VAL  15   3.551   8.643   6.693
  100    H    ILE  16           H        ILE  16   3.952   4.099   4.275
  101    HA   ILE  16           HA       ILE  16   6.828   3.452   4.499
  102    HB   ILE  16           HB       ILE  16   4.280   1.811   4.860
  103   1HG1  ILE  16          1HG1      ILE  16   6.457   2.543   6.915
  104   2HG1  ILE  16          2HG1      ILE  16   5.094   3.589   6.580
  105   1HG2  ILE  16          1HG2      ILE  16   5.903   0.122   4.030
  106   2HG2  ILE  16          2HG2      ILE  16   7.112   0.644   5.227
  107   3HG2  ILE  16          3HG2      ILE  16   5.589  -0.127   5.741
  108   1HD1  ILE  16          2HD1      ILE  16   3.468   1.784   7.277
  109   2HD1  ILE  16          3HD1      ILE  16   4.847   0.745   7.731
  110   3HD1  ILE  16          1HD1      ILE  16   4.580   2.286   8.572
  111    H    CYS  17           HN       LAS  17   4.428   2.029   2.261
  112    HA   CYS  17           HA       LAS  17   6.622   1.185   0.287
  113   1HB   CYS  17          2HB       LAS  17   3.759   0.367   0.815
  114   2HB   CYS  17          1HB       LAS  17   4.163   0.442  -0.849
  115    H    ALA  18           H        ALA  18   5.407   1.585  -2.032
  116    HA   ALA  18           HA       ALA  18   5.225   4.654  -2.479
  117   1HB   ALA  18          1HB       ALA  18   6.568   3.304  -4.153
  118   2HB   ALA  18          2HB       ALA  18   5.087   2.415  -4.596
  119   3HB   ALA  18          3HB       ALA  18   5.196   4.164  -4.880
  120   1HN   CSX  19           HN       LAS  19   3.519   3.975  -0.841
  121    HA   CSX  19           HA       LAS  19   2.495   6.100  -2.473
  122   1HB   CSX  19          1HB       LAS  19   0.171   5.386  -1.273
  123   2HB   CSX  19          2HB       LAS  19   1.092   5.097   0.185
  124    HXT  CSX  19           HO       LAS  19   4.782   7.917  -0.871
   
  No H/Q in entry =         124
  Start of MODEL   10
    1   1HN   DAL   1          1HN       LAN   1  -6.186  -2.154   3.874
    2   2HN   DAL   1          2HN       LAN   1  -5.002  -1.160   4.405
    3    HA   DAL   1           HA       LAN   1  -5.269  -2.229   1.668
    4   1HB   DAL   1          1HB       LAN   1  -3.168  -0.304   2.857
    5   2HB   DAL   1          2HB       LAN   1  -3.344  -0.670   1.141
    6    H    SER   2           H        SER   2  -5.121  -0.152   0.203
    7    HA   SER   2           HA       SER   2  -7.702   1.416   0.769
    8   1HB   SER   2          1HB       SER   2  -5.764   1.652  -1.610
    9   2HB   SER   2          2HB       SER   2  -7.286   2.528  -1.430
   10    HG   SER   2           HG       SER   2  -6.477   3.400   0.517
   11    H    GLY   3           H        GLY   3  -8.302  -0.879   0.976
   12   1HA   GLY   3          1HA       GLY   3 -10.010  -2.519   0.051
   13   2HA   GLY   3          2HA       GLY   3  -9.390  -2.236  -1.566
   14    H    TRP   4           H        TRP   4  -7.687  -3.779  -2.199
   15    HA   TRP   4           HA       TRP   4  -5.494  -4.075  -0.310
   16   1HB   TRP   4          1HB       TRP   4  -6.650  -6.609  -1.378
   17   2HB   TRP   4          2HB       TRP   4  -5.012  -6.524  -0.801
   18    HD1  TRP   4           HD1      TRP   4  -4.624  -5.869   1.911
   19    HE1  TRP   4           HE1      TRP   4  -5.999  -6.462   4.074
   20    HE3  TRP   4           HE3      TRP   4  -8.966  -7.039  -0.498
   21    HZ2  TRP   4           HZ2      TRP   4  -8.728  -7.316   4.496
   22    HZ3  TRP   4           HZ3      TRP   4 -10.939  -7.697   0.839
   23    HH2  TRP   4           HH2      TRP   4 -10.818  -7.832   3.293
   24    H    VAL   5           H        VAL   5  -5.144  -2.607  -1.834
   25    HA   VAL   5           HA       VAL   5  -3.572  -3.538  -4.290
   26    HB   VAL   5           HB       VAL   5  -3.599  -0.661  -3.228
   27   1HG1  VAL   5          2HG2      VAL   5  -1.417  -1.243  -4.326
   28   2HG1  VAL   5          3HG2      VAL   5  -2.281  -1.820  -5.768
   29   3HG1  VAL   5          1HG2      VAL   5  -2.355  -0.101  -5.298
   30   1HG2  VAL   5          3HG1      VAL   5  -4.947  -1.848  -5.736
   31   2HG2  VAL   5          1HG1      VAL   5  -5.783  -1.225  -4.293
   32   3HG2  VAL   5          2HG1      VAL   5  -4.849  -0.119  -5.312
   33    H    CYS   6           HN       LAS   6  -2.403  -1.613  -1.638
   34    HA   CYS   6           HA       LAS   6  -1.106  -2.093   0.194
   35   1HB   CYS   6          1HB       LAS   6  -3.613  -3.155   0.302
   36   2HB   CYS   6          2HB       LAS   6  -2.615  -4.467   0.899
   37   1HN   ABA   7           HN       MLA   7   0.426  -2.815   0.827
   38    HA   ABA   7           HA       MLA   7   1.156  -5.473   1.459
   39   1HB   ABA   7           HB       MLA   7   2.778  -4.122   2.987
   40   1HG   ABA   7          1HG2      MLA   7   0.376  -4.612   3.634
   41   2HG   ABA   7          2HG2      MLA   7  -0.115  -3.083   2.909
   42   3HG   ABA   7          3HG2      MLA   7   0.977  -3.076   4.308
   43    H    LEU   8           H        LEU   8   2.063  -4.871  -1.399
   44    HA   LEU   8           HA       LEU   8   4.917  -5.963  -1.080
   45   1HB   LEU   8          1HB       LEU   8   4.713  -7.046  -3.253
   46   2HB   LEU   8          2HB       LEU   8   3.667  -7.695  -2.038
   47    HG   LEU   8           HG       LEU   8   2.731  -7.770  -4.277
   48   1HD1  LEU   8          2HD1      LEU   8   1.164  -7.707  -2.293
   49   2HD1  LEU   8          3HD1      LEU   8   0.891  -5.974  -2.611
   50   3HD1  LEU   8          1HD1      LEU   8   0.436  -7.183  -3.825
   51   1HD2  LEU   8          3HD2      LEU   8   3.586  -5.690  -5.324
   52   2HD2  LEU   8          1HD2      LEU   8   1.832  -5.843  -5.528
   53   3HD2  LEU   8          2HD2      LEU   8   2.483  -4.707  -4.323
   54   1HN   ABA   9           HN       MLA   9   4.806  -3.463  -0.661
   55    HA   ABA   9           HA       MLA   9   6.554  -2.400  -2.836
   56   1HB   ABA   9           HB       MLA   9   6.975  -0.518  -1.160
   57   1HG   ABA   9          1HG2      MLA   9   8.447  -2.577  -1.261
   58   2HG   ABA   9          2HG2      MLA   9   8.298  -1.925   0.396
   59   3HG   ABA   9          3HG2      MLA   9   7.390  -3.377  -0.074
   60    H    ILE  10           H        ILE  10   3.166  -1.970  -2.343
   61    HA   ILE  10           HA       ILE  10   3.156   0.693  -3.812
   62    HB   ILE  10           HB       ILE  10   1.651  -1.746  -4.889
   63   1HG1  ILE  10          1HG1      ILE  10   4.020  -2.032  -5.506
   64   2HG1  ILE  10          2HG1      ILE  10   2.968  -1.828  -6.878
   65   1HG2  ILE  10          2HG2      ILE  10   0.357   0.325  -5.266
   66   2HG2  ILE  10          3HG2      ILE  10   1.757   1.120  -6.013
   67   3HG2  ILE  10          1HG2      ILE  10   0.978  -0.272  -6.812
   68   1HD1  ILE  10          3HD1      ILE  10   4.790   0.420  -5.785
   69   2HD1  ILE  10          1HD1      ILE  10   5.144  -0.624  -7.178
   70   3HD1  ILE  10          2HD1      ILE  10   3.782   0.515  -7.246
   71    H    GLU  11           H        GLU  11   2.125   1.678  -2.250
   72    HA   GLU  11           HA       GLU  11   0.326   2.555  -0.979
   73   1HB   GLU  11          1HB       GLU  11  -0.811   2.774  -3.081
   74   2HB   GLU  11          2HB       GLU  11  -1.171   1.067  -3.123
   75   1HG   GLU  11          1HG       GLU  11  -2.976   1.415  -1.419
   76   2HG   GLU  11          2HG       GLU  11  -2.378   3.032  -1.054
   77    HE2  GLU  11           HE2      GLU  11  -4.075   4.548  -3.619
   78    H    CYS  12           HN       LAS  12   1.533   0.971   0.518
   79    HA   CYS  12           HA       LAS  12  -0.197  -1.049   1.954
   80   1HB   CYS  12          2HB       LAS  12   2.542   0.158   2.672
   81   2HB   CYS  12          1HB       LAS  12   1.693  -0.951   3.749
   82    H    GLY  13           H        GLY  13   0.569   2.367   2.191
   83   1HA   GLY  13          1HA       GLY  13  -1.494   2.744   4.386
   84   2HA   GLY  13          2HA       GLY  13   0.157   3.063   4.888
   85   1HN   ABA  14           HN       MLA  14   0.936   4.411   2.340
   86    HA   ABA  14           HA       MLA  14  -0.034   7.056   3.375
   87   1HB   ABA  14           HB       MLA  14  -0.541   8.199   1.517
   88   1HG   ABA  14          1HG2      MLA  14  -2.400   6.558   1.746
   89   2HG   ABA  14          2HG2      MLA  14  -2.168   7.074   0.052
   90   3HG   ABA  14          3HG2      MLA  14  -1.601   5.474   0.579
   91    H    VAL  15           H        VAL  15   2.396   5.348   3.670
   92    HA   VAL  15           HA       VAL  15   4.550   7.324   2.863
   93    HB   VAL  15           HB       VAL  15   4.006   6.632   5.808
   94   1HG1  VAL  15          2HG2      VAL  15   6.258   8.409   4.656
   95   2HG1  VAL  15          3HG2      VAL  15   5.871   8.219   6.386
   96   3HG1  VAL  15          1HG2      VAL  15   6.471   6.838   5.464
   97   1HG2  VAL  15          1HG1      VAL  15   3.756   9.371   4.402
   98   2HG2  VAL  15          3HG1      VAL  15   2.421   8.403   5.071
   99   3HG2  VAL  15          2HG1      VAL  15   3.626   9.095   6.159
  100    H    ILE  16           H        ILE  16   3.917   4.163   4.329
  101    HA   ILE  16           HA       ILE  16   6.774   3.500   4.656
  102    HB   ILE  16           HB       ILE  16   4.207   1.887   5.062
  103   1HG1  ILE  16          1HG1      ILE  16   5.093   1.725   7.443
  104   2HG1  ILE  16          2HG1      ILE  16   6.434   2.772   7.012
  105   1HG2  ILE  16          2HG2      ILE  16   7.019   0.680   5.418
  106   2HG2  ILE  16          3HG2      ILE  16   5.493  -0.039   5.995
  107   3HG2  ILE  16          1HG2      ILE  16   5.772   0.142   4.268
  108   1HD1  ILE  16          3HD1      ILE  16   3.452   3.607   6.873
  109   2HD1  ILE  16          1HD1      ILE  16   4.529   3.896   8.262
  110   3HD1  ILE  16          2HD1      ILE  16   4.869   4.685   6.714
  111    H    CYS  17           HN       LAS  17   4.421   1.965   2.459
  112    HA   CYS  17           HA       LAS  17   6.629   1.125   0.498
  113   1HB   CYS  17          2HB       LAS  17   3.765   0.272   1.022
  114   2HB   CYS  17          1HB       LAS  17   4.209   0.293  -0.631
  115    H    ALA  18           H        ALA  18   5.445   1.468  -1.825
  116    HA   ALA  18           HA       ALA  18   5.239   4.522  -2.306
  117   1HB   ALA  18          1HB       ALA  18   6.694   3.183  -3.885
  118   2HB   ALA  18          2HB       ALA  18   5.257   2.264  -4.407
  119   3HB   ALA  18          3HB       ALA  18   5.355   4.012  -4.702
  120   1HN   CSX  19           HN       LAS  19   3.399   3.775  -0.767
  121    HA   CSX  19           HA       LAS  19   2.548   5.950  -2.413
  122   1HB   CSX  19          1HB       LAS  19   0.110   5.229  -1.443
  123   2HB   CSX  19          2HB       LAS  19   0.898   4.910   0.083
  124    HXT  CSX  19           HO       LAS  19   4.139   5.972   1.345
   
  No H/Q in entry =         124
  Start of MODEL   11
    1   1HN   DAL   1          1HN       LAN   1  -5.153  -1.186   4.061
    2   2HN   DAL   1          2HN       LAN   1  -4.789  -2.692   3.540
    3    HA   DAL   1           HA       LAN   1  -5.347  -2.161   1.284
    4   1HB   DAL   1          1HB       LAN   1  -3.290  -0.286   2.615
    5   2HB   DAL   1          2HB       LAN   1  -3.369  -0.655   0.893
    6    H    SER   2           H        SER   2  -5.089  -0.065  -0.129
    7    HA   SER   2           HA       SER   2  -7.636   1.575   0.344
    8   1HB   SER   2          1HB       SER   2  -5.688   2.835  -0.587
    9   2HB   SER   2          2HB       SER   2  -5.617   1.741  -1.976
   10    HG   SER   2           HG       SER   2  -6.815   3.616  -2.372
   11    H    GLY   3           H        GLY   3  -8.325  -0.691   0.531
   12   1HA   GLY   3          1HA       GLY   3 -10.078  -2.257  -0.465
   13   2HA   GLY   3          2HA       GLY   3  -9.333  -2.050  -2.042
   14    H    TRP   4           H        TRP   4  -7.698  -3.728  -2.505
   15    HA   TRP   4           HA       TRP   4  -5.602  -3.948  -0.505
   16   1HB   TRP   4          1HB       TRP   4  -6.752  -6.524  -1.473
   17   2HB   TRP   4          2HB       TRP   4  -5.136  -6.428  -0.838
   18    HD1  TRP   4           HD1      TRP   4  -4.842  -5.593   1.841
   19    HE1  TRP   4           HE1      TRP   4  -6.300  -6.041   3.984
   20    HE3  TRP   4           HE3      TRP   4  -9.098  -6.899  -0.650
   21    HZ2  TRP   4           HZ2      TRP   4  -9.049  -6.855   4.357
   22    HZ3  TRP   4           HZ3      TRP   4 -11.124  -7.461   0.650
   23    HH2  TRP   4           HH2      TRP   4 -11.096  -7.438   3.112
   24    H    VAL   5           H        VAL   5  -5.153  -2.578  -2.092
   25    HA   VAL   5           HA       VAL   5  -3.537  -3.663  -4.452
   26    HB   VAL   5           HB       VAL   5  -3.491  -0.748  -3.501
   27   1HG1  VAL   5          1HG1      VAL   5  -1.315  -1.444  -4.550
   28   2HG1  VAL   5          2HG1      VAL   5  -2.183  -2.049  -5.978
   29   3HG1  VAL   5          3HG1      VAL   5  -2.204  -0.311  -5.579
   30   1HG2  VAL   5          1HG2      VAL   5  -4.846  -1.978  -5.983
   31   2HG2  VAL   5          2HG2      VAL   5  -5.679  -1.280  -4.573
   32   3HG2  VAL   5          3HG2      VAL   5  -4.697  -0.239  -5.615
   33    H    CYS   6           HN       LAS   6  -2.377  -1.671  -1.849
   34    HA   CYS   6           HA       LAS   6  -1.157  -2.093   0.037
   35   1HB   CYS   6          1HB       LAS   6  -3.639  -3.199   0.078
   36   2HB   CYS   6          2HB       LAS   6  -2.634  -4.480   0.741
   37   1HN   ABA   7           HN       MLA   7   0.361  -2.764   0.759
   38    HA   ABA   7           HA       MLA   7   1.102  -5.382   1.483
   39   1HB   ABA   7           HB       MLA   7   2.665  -3.984   3.017
   40   1HG   ABA   7          1HG2      MLA   7   0.252  -4.440   3.612
   41   2HG   ABA   7          2HG2      MLA   7  -0.228  -2.957   2.796
   42   3HG   ABA   7          3HG2      MLA   7   0.815  -2.864   4.228
   43    H    LEU   8           H        LEU   8   2.080  -4.860  -1.358
   44    HA   LEU   8           HA       LEU   8   4.932  -5.921  -0.945
   45   1HB   LEU   8          1HB       LEU   8   4.800  -7.232  -2.872
   46   2HB   LEU   8          2HB       LEU   8   3.466  -7.668  -1.845
   47    HG   LEU   8           HG       LEU   8   3.226  -5.972  -4.421
   48   1HD1  LEU   8          3HD2      LEU   8   3.966  -8.307  -4.890
   49   2HD1  LEU   8          1HD2      LEU   8   2.580  -8.954  -3.977
   50   3HD1  LEU   8          2HD2      LEU   8   2.318  -8.031  -5.479
   51   1HD2  LEU   8          1HD1      LEU   8   0.972  -7.168  -2.679
   52   2HD2  LEU   8          2HD1      LEU   8   1.275  -5.441  -2.999
   53   3HD2  LEU   8          3HD1      LEU   8   0.748  -6.493  -4.312
   54   1HN   ABA   9           HN       MLA   9   4.844  -3.441  -0.649
   55    HA   ABA   9           HA       MLA   9   6.564  -2.452  -2.867
   56   1HB   ABA   9           HB       MLA   9   6.953  -0.495  -1.246
   57   1HG   ABA   9          1HG2      MLA   9   8.459  -2.526  -1.274
   58   2HG   ABA   9          2HG2      MLA   9   8.281  -1.831   0.362
   59   3HG   ABA   9          3HG2      MLA   9   7.405  -3.313  -0.076
   60    H    ILE  10           H        ILE  10   3.172  -1.993  -2.429
   61    HA   ILE  10           HA       ILE  10   3.183   0.631  -3.958
   62    HB   ILE  10           HB       ILE  10   1.719  -1.835  -5.034
   63   1HG1  ILE  10          1HG1      ILE  10   4.106  -2.106  -5.596
   64   2HG1  ILE  10          2HG1      ILE  10   3.080  -1.934  -6.992
   65   1HG2  ILE  10          2HG2      ILE  10   0.417   0.220  -5.469
   66   2HG2  ILE  10          3HG2      ILE  10   1.826   1.017  -6.197
   67   3HG2  ILE  10          1HG2      ILE  10   1.076  -0.393  -6.992
   68   1HD1  ILE  10          2HD1      ILE  10   4.861   0.347  -5.899
   69   2HD1  ILE  10          3HD1      ILE  10   5.248  -0.715  -7.270
   70   3HD1  ILE  10          1HD1      ILE  10   3.878   0.412  -7.380
   71    H    GLU  11           H        GLU  11   2.084   1.651  -2.463
   72    HA   GLU  11           HA       GLU  11   0.259   2.532  -1.267
   73   1HB   GLU  11          1HB       GLU  11  -0.871   2.671  -3.382
   74   2HB   GLU  11          2HB       GLU  11  -1.150   0.953  -3.402
   75   1HG   GLU  11          1HG       GLU  11  -3.174   2.340  -3.130
   76   2HG   GLU  11          2HG       GLU  11  -3.013   1.221  -1.803
   77    HE1  GLU  11           HE2      GLU  11  -2.790   5.234  -1.270
   78    H    CYS  12           HN       LAS  12   1.450   1.048   0.331
   79    HA   CYS  12           HA       LAS  12  -0.253  -0.996   1.765
   80   1HB   CYS  12          2HB       LAS  12   2.433   0.309   2.466
   81   2HB   CYS  12          1HB       LAS  12   1.615  -0.741   3.620
   82    H    GLY  13           H        GLY  13   0.386   2.452   1.945
   83   1HA   GLY  13          1HA       GLY  13  -1.821   2.822   3.972
   84   2HA   GLY  13          2HA       GLY  13  -0.228   3.109   4.649
   85   1HN   ABA  14           HN       MLA  14   0.771   4.501   2.156
   86    HA   ABA  14           HA       MLA  14  -0.216   7.139   3.213
   87   1HB   ABA  14           HB       MLA  14  -0.517   8.347   1.332
   88   1HG   ABA  14          1HG2      MLA  14  -2.474   6.827   1.493
   89   2HG   ABA  14          2HG2      MLA  14  -2.145   7.307  -0.196
   90   3HG   ABA  14          3HG2      MLA  14  -1.691   5.685   0.374
   91    H    VAL  15           H        VAL  15   2.197   5.365   3.566
   92    HA   VAL  15           HA       VAL  15   4.368   7.448   3.083
   93    HB   VAL  15           HB       VAL  15   3.719   6.337   5.874
   94   1HG1  VAL  15          2HG1      VAL  15   5.918   8.357   5.069
   95   2HG1  VAL  15          1HG1      VAL  15   5.484   7.906   6.739
   96   3HG1  VAL  15          3HG1      VAL  15   6.182   6.698   5.656
   97   1HG2  VAL  15          3HG2      VAL  15   3.388   9.234   4.844
   98   2HG2  VAL  15          1HG2      VAL  15   2.074   8.127   5.306
   99   3HG2  VAL  15          2HG2      VAL  15   3.197   8.711   6.537
  100    H    ILE  16           H        ILE  16   3.766   4.159   4.245
  101    HA   ILE  16           HA       ILE  16   6.647   3.581   4.544
  102    HB   ILE  16           HB       ILE  16   4.137   1.879   4.894
  103   1HG1  ILE  16          1HG1      ILE  16   4.395   3.563   6.616
  104   2HG1  ILE  16          2HG1      ILE  16   4.561   1.956   7.269
  105   1HG2  ILE  16          2HG2      ILE  16   6.962   0.811   5.421
  106   2HG2  ILE  16          3HG2      ILE  16   5.438   0.060   5.970
  107   3HG2  ILE  16          1HG2      ILE  16   5.777   0.195   4.244
  108   1HD1  ILE  16          1HD1      ILE  16   7.098   2.273   7.395
  109   2HD1  ILE  16          2HD1      ILE  16   6.890   3.936   6.782
  110   3HD1  ILE  16          3HD1      ILE  16   6.186   3.468   8.343
  111    H    CYS  17           HN       LAS  17   4.329   2.043   2.299
  112    HA   CYS  17           HA       LAS  17   6.597   1.166   0.420
  113   1HB   CYS  17          2HB       LAS  17   3.719   0.329   0.870
  114   2HB   CYS  17          1HB       LAS  17   4.209   0.328  -0.768
  115    H    ALA  18           H        ALA  18   5.456   1.476  -1.945
  116    HA   ALA  18           HA       ALA  18   5.214   4.520  -2.488
  117   1HB   ALA  18          1HB       ALA  18   6.637   3.147  -4.072
  118   2HB   ALA  18          2HB       ALA  18   5.192   2.208  -4.531
  119   3HB   ALA  18          3HB       ALA  18   5.272   3.949  -4.873
  120   1HN   CSX  19           HN       LAS  19   3.452   3.859  -0.889
  121    HA   CSX  19           HA       LAS  19   2.468   5.913  -2.637
  122   1HB   CSX  19          1HB       LAS  19   0.114   5.249  -1.471
  123   2HB   CSX  19          2HB       LAS  19   0.996   5.007   0.017
  124    HXT  CSX  19           HO       LAS  19   4.736   7.778  -1.065
   
  No H/Q in entry =         124
  Start of MODEL   12
    1   1HN   DAL   1          1HN       LAN   1  -6.298  -2.069   3.603
    2   2HN   DAL   1          2HN       LAN   1  -5.115  -1.092   4.165
    3    HA   DAL   1           HA       LAN   1  -5.377  -2.077   1.397
    4   1HB   DAL   1          1HB       LAN   1  -3.277  -0.188   2.643
    5   2HB   DAL   1          2HB       LAN   1  -3.451  -0.510   0.918
    6    H    SER   2           H        SER   2  -5.224   0.049  -0.004
    7    HA   SER   2           HA       SER   2  -7.812   1.591   0.610
    8   1HB   SER   2          1HB       SER   2  -5.867   1.923  -1.750
    9   2HB   SER   2          2HB       SER   2  -7.391   2.788  -1.542
   10    HG   SER   2           HG       SER   2  -6.591   3.587   0.440
   11    H    GLY   3           H        GLY   3  -8.407  -0.711   0.728
   12   1HA   GLY   3          1HA       GLY   3 -10.103  -2.322  -0.268
   13   2HA   GLY   3          2HA       GLY   3  -9.474  -1.977  -1.870
   14    H    TRP   4           H        TRP   4  -7.758  -3.488  -2.546
   15    HA   TRP   4           HA       TRP   4  -5.579  -3.848  -0.656
   16   1HB   TRP   4          1HB       TRP   4  -6.724  -6.346  -1.817
   17   2HB   TRP   4          2HB       TRP   4  -5.088  -6.278  -1.229
   18    HD1  TRP   4           HD1      TRP   4  -4.712  -5.720   1.504
   19    HE1  TRP   4           HE1      TRP   4  -6.095  -6.390   3.640
   20    HE3  TRP   4           HE3      TRP   4  -9.044  -6.805  -0.961
   21    HZ2  TRP   4           HZ2      TRP   4  -8.826  -7.257   4.021
   22    HZ3  TRP   4           HZ3      TRP   4 -11.023  -7.509   0.344
   23    HH2  TRP   4           HH2      TRP   4 -10.912  -7.730   2.793
   24    H    VAL   5           H        VAL   5  -5.215  -2.330  -2.124
   25    HA   VAL   5           HA       VAL   5  -3.622  -3.180  -4.595
   26    HB   VAL   5           HB       VAL   5  -3.645  -0.343  -3.432
   27   1HG1  VAL   5          2HG2      VAL   5  -1.457  -0.897  -4.543
   28   2HG1  VAL   5          3HG2      VAL   5  -2.319  -1.417  -6.007
   29   3HG1  VAL   5          1HG2      VAL   5  -2.385   0.284  -5.476
   30   1HG2  VAL   5          3HG1      VAL   5  -4.984  -1.433  -5.989
   31   2HG2  VAL   5          1HG1      VAL   5  -5.824  -0.853  -4.530
   32   3HG2  VAL   5          2HG1      VAL   5  -4.878   0.280  -5.506
   33    H    CYS   6           HN       LAS   6  -2.480  -1.356  -1.860
   34    HA   CYS   6           HA       LAS   6  -1.187  -1.902  -0.045
   35   1HB   CYS   6          1HB       LAS   6  -3.701  -2.970   0.008
   36   2HB   CYS   6          2HB       LAS   6  -2.707  -4.296   0.577
   37   1HN   ABA   7           HN       MLA   7   0.326  -2.653   0.606
   38    HA   ABA   7           HA       MLA   7   0.948  -5.313   1.245
   39   1HB   ABA   7           HB       MLA   7   2.613  -4.006   2.792
   40   1HG   ABA   7          1HG2      MLA   7   0.205  -4.448   3.419
   41   2HG   ABA   7          2HG2      MLA   7  -0.261  -2.928   2.664
   42   3HG   ABA   7          3HG2      MLA   7   0.810  -2.906   4.077
   43    H    LEU   8           H        LEU   8   2.053  -4.608  -1.585
   44    HA   LEU   8           HA       LEU   8   4.931  -5.644  -1.139
   45   1HB   LEU   8          1HB       LEU   8   3.142  -6.467  -3.494
   46   2HB   LEU   8          2HB       LEU   8   4.833  -6.868  -3.305
   47    HG   LEU   8           HG       LEU   8   2.617  -7.826  -1.393
   48   1HD1  LEU   8          2HD1      LEU   8   2.348  -8.802  -3.675
   49   2HD1  LEU   8          3HD1      LEU   8   4.038  -9.364  -3.662
   50   3HD1  LEU   8          1HD1      LEU   8   2.856 -10.041  -2.513
   51   1HD2  LEU   8          2HD2      LEU   8   5.584  -8.695  -1.559
   52   2HD2  LEU   8          3HD2      LEU   8   4.833  -7.780  -0.228
   53   3HD2  LEU   8          1HD2      LEU   8   4.338  -9.452  -0.536
   54   1HN   ABA   9           HN       MLA   9   4.857  -3.258  -0.887
   55    HA   ABA   9           HA       MLA   9   6.412  -2.258  -3.203
   56   1HB   ABA   9           HB       MLA   9   6.868  -0.281  -1.567
   57   1HG   ABA   9          1HG2      MLA   9   8.446  -2.229  -1.805
   58   2HG   ABA   9          2HG2      MLA   9   8.367  -1.627  -0.128
   59   3HG   ABA   9          3HG2      MLA   9   7.522  -3.125  -0.574
   60    H    ILE  10           H        ILE  10   3.066  -1.692  -2.490
   61    HA   ILE  10           HA       ILE  10   3.032   0.977  -3.909
   62    HB   ILE  10           HB       ILE  10   1.302  -1.287  -5.097
   63   1HG1  ILE  10          1HG1      ILE  10   4.015  -0.670  -6.421
   64   2HG1  ILE  10          2HG1      ILE  10   3.629  -2.136  -5.538
   65   1HG2  ILE  10          2HG2      ILE  10   0.696   1.145  -5.496
   66   2HG2  ILE  10          3HG2      ILE  10   2.256   1.395  -6.313
   67   3HG2  ILE  10          1HG2      ILE  10   1.034   0.300  -7.006
   68   1HD1  ILE  10          3HD1      ILE  10   1.785  -2.686  -7.155
   69   2HD1  ILE  10          1HD1      ILE  10   2.260  -1.273  -8.137
   70   3HD1  ILE  10          2HD1      ILE  10   3.406  -2.604  -7.885
   71    H    GLU  11           H        GLU  11   2.022   1.935  -2.345
   72    HA   GLU  11           HA       GLU  11   0.236   2.786  -1.067
   73   1HB   GLU  11          1HB       GLU  11  -0.911   3.063  -3.154
   74   2HB   GLU  11          2HB       GLU  11  -1.275   1.359  -3.242
   75   1HG   GLU  11          1HG       GLU  11  -3.074   1.661  -1.525
   76   2HG   GLU  11          2HG       GLU  11  -2.471   3.266  -1.114
   77    HE2  GLU  11           HE2      GLU  11  -4.192   4.861  -3.610
   78    H    CYS  12           HN       LAS  12   1.441   1.169   0.394
   79    HA   CYS  12           HA       LAS  12  -0.275  -0.902   1.766
   80   1HB   CYS  12          2HB       LAS  12   2.479   0.285   2.444
   81   2HB   CYS  12          1HB       LAS  12   1.661  -0.805   3.561
   82    H    GLY  13           H        GLY  13   0.494   2.510   2.118
   83   1HA   GLY  13          1HA       GLY  13  -1.580   2.824   4.303
   84   2HA   GLY  13          2HA       GLY  13   0.067   3.077   4.855
   85   1HN   ABA  14           HN       MLA  14   0.935   4.539   2.398
   86    HA   ABA  14           HA       MLA  14  -0.020   7.151   3.546
   87   1HB   ABA  14           HB       MLA  14  -0.387   8.400   1.713
   88   1HG   ABA  14          1HG2      MLA  14  -2.321   6.844   1.861
   89   2HG   ABA  14          2HG2      MLA  14  -2.038   7.407   0.191
   90   3HG   ABA  14          3HG2      MLA  14  -1.556   5.763   0.670
   91    H    VAL  15           H        VAL  15   2.392   5.367   3.798
   92    HA   VAL  15           HA       VAL  15   4.563   7.441   3.288
   93    HB   VAL  15           HB       VAL  15   4.012   6.260   6.073
   94   1HG1  VAL  15          2HG1      VAL  15   6.182   8.300   5.238
   95   2HG1  VAL  15          1HG1      VAL  15   5.811   7.805   6.911
   96   3HG1  VAL  15          3HG1      VAL  15   6.465   6.626   5.770
   97   1HG2  VAL  15          3HG2      VAL  15   3.649   9.185   5.134
   98   2HG2  VAL  15          1HG2      VAL  15   2.351   8.067   5.616
   99   3HG2  VAL  15          2HG2      VAL  15   3.521   8.616   6.819
  100    H    ILE  16           H        ILE  16   3.942   4.111   4.303
  101    HA   ILE  16           HA       ILE  16   6.818   3.461   4.540
  102    HB   ILE  16           HB       ILE  16   4.262   1.821   4.851
  103   1HG1  ILE  16          1HG1      ILE  16   6.429   2.502   6.934
  104   2HG1  ILE  16          2HG1      ILE  16   5.074   3.562   6.611
  105   1HG2  ILE  16          1HG2      ILE  16   5.881   0.142   3.998
  106   2HG2  ILE  16          2HG2      ILE  16   7.086   0.634   5.213
  107   3HG2  ILE  16          3HG2      ILE  16   5.555  -0.139   5.701
  108   1HD1  ILE  16          1HD1      ILE  16   3.433   1.752   7.261
  109   2HD1  ILE  16          2HD1      ILE  16   4.803   0.697   7.703
  110   3HD1  ILE  16          3HD1      ILE  16   4.539   2.223   8.573
  111    H    CYS  17           HN       LAS  17   4.433   2.078   2.257
  112    HA   CYS  17           HA       LAS  17   6.652   1.232   0.309
  113   1HB   CYS  17          2HB       LAS  17   3.837   0.340   0.883
  114   2HB   CYS  17          1HB       LAS  17   4.171   0.456  -0.798
  115    H    ALA  18           H        ALA  18   5.382   1.588  -2.012
  116    HA   ALA  18           HA       ALA  18   5.236   4.653  -2.491
  117   1HB   ALA  18          1HB       ALA  18   6.516   3.242  -4.178
  118   2HB   ALA  18          2HB       ALA  18   4.996   2.408  -4.597
  119   3HB   ALA  18          3HB       ALA  18   5.167   4.151  -4.884
  120   1HN   CSX  19           HN       LAS  19   3.515   3.963  -0.809
  121    HA   CSX  19           HA       LAS  19   2.554   6.168  -2.381
  122   1HB   CSX  19          1HB       LAS  19   0.200   5.443  -1.238
  123   2HB   CSX  19          2HB       LAS  19   1.097   5.118   0.229
  124    HXT  CSX  19           HO       LAS  19   4.850   7.877  -0.676
   
  No H/Q in entry =         124
  Start of MODEL   13
    1   1HN   DAL   1          1HN       LAN   1  -4.530  -2.558   4.032
    2   2HN   DAL   1          2HN       LAN   1  -6.089  -2.066   4.009
    3    HA   DAL   1           HA       LAN   1  -5.240  -2.217   1.807
    4   1HB   DAL   1          1HB       LAN   1  -3.125  -0.207   2.826
    5   2HB   DAL   1          2HB       LAN   1  -3.361  -0.652   1.135
    6    H    SER   2           H        SER   2  -5.141  -0.239   0.204
    7    HA   SER   2           HA       SER   2  -7.706   1.368   0.720
    8   1HB   SER   2          1HB       SER   2  -5.827   2.637  -0.350
    9   2HB   SER   2          2HB       SER   2  -5.786   1.476  -1.685
   10    HG   SER   2           HG       SER   2  -8.009   3.050  -0.873
   11    H    GLY   3           H        GLY   3  -8.319  -0.910   1.035
   12   1HA   GLY   3          1HA       GLY   3 -10.007  -2.614   0.204
   13   2HA   GLY   3          2HA       GLY   3  -9.404  -2.402  -1.431
   14    H    TRP   4           H        TRP   4  -7.701  -3.970  -2.001
   15    HA   TRP   4           HA       TRP   4  -5.473  -4.145  -0.127
   16   1HB   TRP   4          1HB       TRP   4  -6.644  -6.736  -1.033
   17   2HB   TRP   4          2HB       TRP   4  -4.997  -6.621  -0.484
   18    HD1  TRP   4           HD1      TRP   4  -4.572  -5.801   2.179
   19    HE1  TRP   4           HE1      TRP   4  -5.912  -6.275   4.393
   20    HE3  TRP   4           HE3      TRP   4  -8.941  -7.130  -0.095
   21    HZ2  TRP   4           HZ2      TRP   4  -8.630  -7.115   4.903
   22    HZ3  TRP   4           HZ3      TRP   4 -10.891  -7.717   1.306
   23    HH2  TRP   4           HH2      TRP   4 -10.735  -7.709   3.763
   24    H    VAL   5           H        VAL   5  -5.176  -2.747  -1.775
   25    HA   VAL   5           HA       VAL   5  -3.622  -3.845  -4.165
   26    HB   VAL   5           HB       VAL   5  -3.661  -0.905  -3.357
   27   1HG1  VAL   5          1HG1      VAL   5  -1.518  -1.568  -4.502
   28   2HG1  VAL   5          2HG1      VAL   5  -2.440  -2.295  -5.838
   29   3HG1  VAL   5          3HG1      VAL   5  -2.507  -0.539  -5.549
   30   1HG2  VAL   5          2HG2      VAL   5  -5.104  -2.289  -5.703
   31   2HG2  VAL   5          3HG2      VAL   5  -5.882  -1.552  -4.281
   32   3HG2  VAL   5          1HG2      VAL   5  -4.995  -0.531  -5.423
   33    H    CYS   6           HN       LAS   6  -2.435  -1.682  -1.679
   34    HA   CYS   6           HA       LAS   6  -1.094  -2.027   0.160
   35   1HB   CYS   6          1HB       LAS   6  -3.603  -3.116   0.366
   36   2HB   CYS   6          2HB       LAS   6  -2.591  -4.411   0.990
   37   1HN   ABA   7           HN       MLA   7   0.413  -2.758   0.937
   38    HA   ABA   7           HA       MLA   7   1.151  -5.432   1.563
   39   1HB   ABA   7           HB       MLA   7   2.798  -4.089   3.081
   40   1HG   ABA   7          1HG2      MLA   7   0.400  -4.587   3.755
   41   2HG   ABA   7          2HG2      MLA   7  -0.105  -3.062   3.034
   42   3HG   ABA   7          3HG2      MLA   7   1.000  -3.048   4.422
   43    H    LEU   8           H        LEU   8   2.013  -4.793  -1.290
   44    HA   LEU   8           HA       LEU   8   4.882  -5.878  -1.061
   45   1HB   LEU   8          1HB       LEU   8   4.528  -6.924  -3.316
   46   2HB   LEU   8          2HB       LEU   8   3.688  -7.634  -1.970
   47    HG   LEU   8           HG       LEU   8   1.511  -6.698  -2.702
   48   1HD1  LEU   8          1HD2      LEU   8   2.967  -5.578  -5.186
   49   2HD1  LEU   8          2HD2      LEU   8   1.201  -5.672  -4.966
   50   3HD1  LEU   8          3HD2      LEU   8   2.161  -4.622  -3.915
   51   1HD2  LEU   8          2HD1      LEU   8   2.228  -8.965  -3.459
   52   2HD2  LEU   8          3HD1      LEU   8   1.206  -8.181  -4.678
   53   3HD2  LEU   8          1HD1      LEU   8   2.969  -8.268  -4.921
   54   1HN   ABA   9           HN       MLA   9   4.777  -3.391  -0.658
   55    HA   ABA   9           HA       MLA   9   6.414  -2.329  -2.903
   56   1HB   ABA   9           HB       MLA   9   6.859  -0.419  -1.249
   57   1HG   ABA   9          1HG2      MLA   9   8.363  -2.448  -1.387
   58   2HG   ABA   9          2HG2      MLA   9   8.248  -1.797   0.273
   59   3HG   ABA   9          3HG2      MLA   9   7.355  -3.267  -0.171
   60    H    ILE  10           H        ILE  10   3.037  -1.874  -2.288
   61    HA   ILE  10           HA       ILE  10   2.995   0.763  -3.803
   62    HB   ILE  10           HB       ILE  10   1.422  -1.672  -4.774
   63   1HG1  ILE  10          1HG1      ILE  10   3.760  -1.981  -5.497
   64   2HG1  ILE  10          2HG1      ILE  10   2.653  -1.780  -6.825
   65   1HG2  ILE  10          1HG2      ILE  10   0.121   0.394  -5.126
   66   2HG2  ILE  10          2HG2      ILE  10   1.490   1.180  -5.936
   67   3HG2  ILE  10          3HG2      ILE  10   0.677  -0.218  -6.690
   68   1HD1  ILE  10          1HD1      ILE  10   4.532   0.466  -5.823
   69   2HD1  ILE  10          2HD1      ILE  10   4.823  -0.591  -7.222
   70   3HD1  ILE  10          3HD1      ILE  10   3.466   0.555  -7.244
   71    H    GLU  11           H        GLU  11   2.047   1.801  -2.210
   72    HA   GLU  11           HA       GLU  11   0.528   2.592  -0.679
   73   1HB   GLU  11          1HB       GLU  11  -1.586   3.049  -1.470
   74   2HB   GLU  11          2HB       GLU  11  -0.587   2.977  -2.909
   75   1HG   GLU  11          1HG       GLU  11  -1.463   0.626  -3.365
   76   2HG   GLU  11          2HG       GLU  11  -2.596   0.826  -2.034
   77    HE2  GLU  11           HE2      GLU  11  -3.134   2.645  -5.584
   78    H    CYS  12           HN       LAS  12   1.570   0.808   0.558
   79    HA   CYS  12           HA       LAS  12  -0.244  -1.012   2.098
   80   1HB   CYS  12          2HB       LAS  12   2.551   0.160   2.731
   81   2HB   CYS  12          1HB       LAS  12   1.718  -0.928   3.842
   82    H    GLY  13           H        GLY  13   0.627   2.365   2.214
   83   1HA   GLY  13          1HA       GLY  13  -1.128   2.838   4.690
   84   2HA   GLY  13          2HA       GLY  13   0.574   3.218   4.857
   85   1HN   ABA  14           HN       MLA  14   1.090   4.546   2.431
   86    HA   ABA  14           HA       MLA  14   0.032   7.136   3.450
   87   1HB   ABA  14           HB       MLA  14  -0.551   8.273   1.598
   88   1HG   ABA  14          1HG2      MLA  14  -2.358   6.589   1.897
   89   2HG   ABA  14          2HG2      MLA  14  -2.193   7.093   0.189
   90   3HG   ABA  14          3HG2      MLA  14  -1.567   5.514   0.717
   91    H    VAL  15           H        VAL  15   2.435   5.600   3.846
   92    HA   VAL  15           HA       VAL  15   4.609   7.363   2.708
   93    HB   VAL  15           HB       VAL  15   3.527   8.319   4.807
   94   1HG1  VAL  15          1HG2      VAL  15   3.316   6.255   6.220
   95   2HG1  VAL  15          2HG2      VAL  15   5.086   6.209   6.407
   96   3HG1  VAL  15          3HG2      VAL  15   4.154   7.580   7.052
   97   1HG2  VAL  15          3HG1      VAL  15   5.738   9.125   3.973
   98   2HG2  VAL  15          2HG1      VAL  15   5.639   9.211   5.742
   99   3HG2  VAL  15          1HG1      VAL  15   6.576   7.909   4.968
  100    H    ILE  16           H        ILE  16   3.937   4.271   4.201
  101    HA   ILE  16           HA       ILE  16   6.804   3.554   4.618
  102    HB   ILE  16           HB       ILE  16   4.190   2.023   5.013
  103   1HG1  ILE  16          1HG1      ILE  16   6.356   2.795   7.060
  104   2HG1  ILE  16          2HG1      ILE  16   5.017   3.847   6.654
  105   1HG2  ILE  16          1HG2      ILE  16   5.785   0.247   4.286
  106   2HG2  ILE  16          2HG2      ILE  16   6.986   0.795   5.479
  107   3HG2  ILE  16          3HG2      ILE  16   5.436   0.087   6.000
  108   1HD1  ILE  16          3HD1      ILE  16   3.347   2.112   7.413
  109   2HD1  ILE  16          1HD1      ILE  16   4.698   1.071   7.939
  110   3HD1  ILE  16          2HD1      ILE  16   4.449   2.657   8.699
  111    H    CYS  17           HN       LAS  17   4.395   2.020   2.431
  112    HA   CYS  17           HA       LAS  17   6.578   1.196   0.454
  113   1HB   CYS  17          2HB       LAS  17   3.724   0.350   1.040
  114   2HB   CYS  17          1HB       LAS  17   4.119   0.383  -0.627
  115    H    ALA  18           H        ALA  18   5.350   1.534  -1.850
  116    HA   ALA  18           HA       ALA  18   5.165   4.590  -2.348
  117   1HB   ALA  18          1HB       ALA  18   6.582   3.224  -3.945
  118   2HB   ALA  18          2HB       ALA  18   5.126   2.322  -4.441
  119   3HB   ALA  18          3HB       ALA  18   5.240   4.068  -4.741
  120   1HN   CSX  19           HN       LAS  19   3.363   3.874  -0.774
  121    HA   CSX  19           HA       LAS  19   2.463   6.038  -2.421
  122   1HB   CSX  19          1HB       LAS  19   0.056   5.318  -1.389
  123   2HB   CSX  19          2HB       LAS  19   0.879   5.003   0.119
  124    HXT  CSX  19           HO       LAS  19   4.153   6.103   1.293
   
  No H/Q in entry =         124
  Start of MODEL   14
    1   1HN   DAL   1          1HN       LAN   1  -5.155  -1.163   3.984
    2   2HN   DAL   1          2HN       LAN   1  -4.769  -2.660   3.452
    3    HA   DAL   1           HA       LAN   1  -5.416  -2.147   1.215
    4   1HB   DAL   1          1HB       LAN   1  -3.350  -0.245   2.498
    5   2HB   DAL   1          2HB       LAN   1  -3.489  -0.570   0.770
    6    H    SER   2           H        SER   2  -5.240  -0.025  -0.194
    7    HA   SER   2           HA       SER   2  -7.854   1.497   0.347
    8   1HB   SER   2          1HB       SER   2  -5.847   1.842  -1.961
    9   2HB   SER   2          2HB       SER   2  -7.387   2.690  -1.799
   10    HG   SER   2           HG       SER   2  -6.653   3.505   0.202
   11    H    GLY   3           H        GLY   3  -8.433  -0.809   0.457
   12   1HA   GLY   3          1HA       GLY   3 -10.089  -2.436  -0.575
   13   2HA   GLY   3          2HA       GLY   3  -9.431  -2.085  -2.164
   14    H    TRP   4           H        TRP   4  -7.687  -3.576  -2.808
   15    HA   TRP   4           HA       TRP   4  -5.549  -3.935  -0.868
   16   1HB   TRP   4          1HB       TRP   4  -6.650  -6.430  -2.075
   17   2HB   TRP   4          2HB       TRP   4  -5.030  -6.357  -1.447
   18    HD1  TRP   4           HD1      TRP   4  -4.724  -5.824   1.298
   19    HE1  TRP   4           HE1      TRP   4  -6.154  -6.518   3.394
   20    HE3  TRP   4           HE3      TRP   4  -8.990  -6.904  -1.280
   21    HZ2  TRP   4           HZ2      TRP   4  -8.889  -7.401   3.702
   22    HZ3  TRP   4           HZ3      TRP   4 -10.995  -7.630  -0.029
   23    HH2  TRP   4           HH2      TRP   4 -10.942  -7.873   2.420
   24    H    VAL   5           H        VAL   5  -5.163  -2.403  -2.315
   25    HA   VAL   5           HA       VAL   5  -3.504  -3.221  -4.754
   26    HB   VAL   5           HB       VAL   5  -3.585  -0.392  -3.576
   27   1HG1  VAL   5          2HG2      VAL   5  -1.364  -0.915  -4.631
   28   2HG1  VAL   5          3HG2      VAL   5  -2.180  -1.436  -6.120
   29   3HG1  VAL   5          1HG2      VAL   5  -2.279   0.261  -5.582
   30   1HG2  VAL   5          3HG1      VAL   5  -4.845  -1.481  -6.173
   31   2HG2  VAL   5          1HG1      VAL   5  -5.729  -0.919  -4.734
   32   3HG2  VAL   5          2HG1      VAL   5  -4.770   0.230  -5.678
   33    H    CYS   6           HN       LAS   6  -2.442  -1.403  -1.983
   34    HA   CYS   6           HA       LAS   6  -1.196  -1.952  -0.137
   35   1HB   CYS   6          1HB       LAS   6  -3.708  -3.024  -0.148
   36   2HB   CYS   6          2HB       LAS   6  -2.725  -4.350   0.442
   37   1HN   ABA   7           HN       MLA   7   0.297  -2.704   0.563
   38    HA   ABA   7           HA       MLA   7   0.934  -5.373   1.173
   39   1HB   ABA   7           HB       MLA   7   2.554  -4.080   2.774
   40   1HG   ABA   7          1HG2      MLA   7   0.719  -2.993   4.033
   41   2HG   ABA   7          2HG2      MLA   7   0.135  -4.533   3.349
   42   3HG   ABA   7          3HG2      MLA   7  -0.324  -3.010   2.598
   43    H    LEU   8           H        LEU   8   2.061  -4.603  -1.631
   44    HA   LEU   8           HA       LEU   8   4.915  -5.689  -1.177
   45   1HB   LEU   8          1HB       LEU   8   3.132  -6.488  -3.558
   46   2HB   LEU   8          2HB       LEU   8   4.821  -6.850  -3.367
   47    HG   LEU   8           HG       LEU   8   3.672  -8.821  -2.955
   48   1HD1  LEU   8          2HD1      LEU   8   5.626  -8.464  -1.433
   49   2HD1  LEU   8          3HD1      LEU   8   4.535  -7.866  -0.158
   50   3HD1  LEU   8          1HD1      LEU   8   4.414  -9.550  -0.721
   51   1HD2  LEU   8          2HD2      LEU   8   1.390  -7.928  -2.398
   52   2HD2  LEU   8          3HD2      LEU   8   1.894  -9.280  -1.365
   53   3HD2  LEU   8          1HD2      LEU   8   1.925  -7.625  -0.727
   54   1HN   ABA   9           HN       MLA   9   4.763  -3.241  -0.925
   55    HA   ABA   9           HA       MLA   9   6.421  -2.272  -3.199
   56   1HB   ABA   9           HB       MLA   9   6.855  -0.315  -1.518
   57   1HG   ABA   9          1HG2      MLA   9   8.438  -2.253  -1.782
   58   2HG   ABA   9          2HG2      MLA   9   8.333  -1.694  -0.091
   59   3HG   ABA   9          3HG2      MLA   9   7.497  -3.182  -0.588
   60    H    ILE  10           H        ILE  10   3.063  -1.711  -2.668
   61    HA   ILE  10           HA       ILE  10   3.147   1.052  -3.836
   62    HB   ILE  10           HB       ILE  10   1.464  -1.069  -5.330
   63   1HG1  ILE  10          1HG1      ILE  10   2.916  -0.462  -7.432
   64   2HG1  ILE  10          2HG1      ILE  10   4.165   0.046  -6.319
   65   1HG2  ILE  10          2HG2      ILE  10   0.528   1.258  -5.342
   66   2HG2  ILE  10          3HG2      ILE  10   2.047   1.887  -6.021
   67   3HG2  ILE  10          1HG2      ILE  10   1.021   0.775  -6.965
   68   1HD1  ILE  10          3HD1      ILE  10   2.886  -2.783  -6.442
   69   2HD1  ILE  10          1HD1      ILE  10   4.408  -2.303  -7.228
   70   3HD1  ILE  10          2HD1      ILE  10   4.306  -2.333  -5.464
   71    H    GLU  11           H        GLU  11   2.066   1.940  -2.312
   72    HA   GLU  11           HA       GLU  11   0.246   2.747  -1.048
   73   1HB   GLU  11          1HB       GLU  11  -0.850   3.075  -3.155
   74   2HB   GLU  11          2HB       GLU  11  -1.216   1.376  -3.288
   75   1HG   GLU  11          1HG       GLU  11  -3.056   1.643  -1.612
   76   2HG   GLU  11          2HG       GLU  11  -2.434   3.216  -1.117
   77    HE1  GLU  11           HE2      GLU  11  -4.539   2.747  -4.566
   78    H    CYS  12           HN       LAS  12   1.425   1.100   0.392
   79    HA   CYS  12           HA       LAS  12  -0.319  -0.981   1.708
   80   1HB   CYS  12          2HB       LAS  12   2.417   0.214   2.447
   81   2HB   CYS  12          1HB       LAS  12   1.580  -0.880   3.549
   82    H    GLY  13           H        GLY  13   0.433   2.433   2.100
   83   1HA   GLY  13          1HA       GLY  13  -1.701   2.739   4.217
   84   2HA   GLY  13          2HA       GLY  13  -0.075   2.966   4.839
   85   1HN   ABA  14           HN       MLA  14   0.859   4.442   2.374
   86    HA   ABA  14           HA       MLA  14  -0.060   7.060   3.530
   87   1HB   ABA  14           HB       MLA  14  -0.490   8.306   1.717
   88   1HG   ABA  14          1HG2      MLA  14  -2.401   6.716   1.831
   89   2HG   ABA  14          2HG2      MLA  14  -2.116   7.302   0.168
   90   3HG   ABA  14          3HG2      MLA  14  -1.609   5.662   0.631
   91    H    VAL  15           H        VAL  15   2.348   5.267   3.737
   92    HA   VAL  15           HA       VAL  15   4.530   7.300   3.146
   93    HB   VAL  15           HB       VAL  15   3.996   6.252   5.988
   94   1HG1  VAL  15          2HG1      VAL  15   6.184   8.221   5.039
   95   2HG1  VAL  15          1HG1      VAL  15   5.829   7.805   6.736
   96   3HG1  VAL  15          3HG1      VAL  15   6.450   6.568   5.639
   97   1HG2  VAL  15          3HG2      VAL  15   3.659   9.138   4.929
   98   2HG2  VAL  15          1HG2      VAL  15   2.355   8.061   5.480
   99   3HG2  VAL  15          2HG2      VAL  15   3.552   8.645   6.639
  100    H    ILE  16           H        ILE  16   3.878   4.038   4.353
  101    HA   ILE  16           HA       ILE  16   6.733   3.346   4.599
  102    HB   ILE  16           HB       ILE  16   4.168   1.714   4.894
  103   1HG1  ILE  16          1HG1      ILE  16   4.494   3.318   6.682
  104   2HG1  ILE  16          2HG1      ILE  16   4.603   1.681   7.268
  105   1HG2  ILE  16          2HG2      ILE  16   6.957   0.526   5.361
  106   2HG2  ILE  16          3HG2      ILE  16   5.411  -0.192   5.889
  107   3HG2  ILE  16          1HG2      ILE  16   5.745   0.001   4.169
  108   1HD1  ILE  16          2HD1      ILE  16   7.150   1.897   7.395
  109   2HD1  ILE  16          3HD1      ILE  16   7.003   3.590   6.850
  110   3HD1  ILE  16          1HD1      ILE  16   6.287   3.087   8.394
  111    H    CYS  17           HN       LAS  17   4.352   1.991   2.312
  112    HA   CYS  17           HA       LAS  17   6.585   1.169   0.359
  113   1HB   CYS  17          2HB       LAS  17   3.765   0.233   0.875
  114   2HB   CYS  17          1HB       LAS  17   4.144   0.379  -0.796
  115    H    ALA  18           H        ALA  18   5.359   1.585  -1.954
  116    HA   ALA  18           HA       ALA  18   5.231   4.657  -2.321
  117   1HB   ALA  18          2HB       ALA  18   6.600   3.310  -3.984
  118   2HB   ALA  18          3HB       ALA  18   5.109   2.488  -4.517
  119   3HB   ALA  18          1HB       ALA  18   5.291   4.241  -4.737
  120   1HN   CSX  19           HN       LAS  19   3.382   3.865  -0.775
  121    HA   CSX  19           HA       LAS  19   2.608   6.194  -2.246
  122   1HB   CSX  19          1HB       LAS  19   0.141   5.454  -1.357
  123   2HB   CSX  19          2HB       LAS  19   0.909   5.040   0.160
  124    HXT  CSX  19           HO       LAS  19   4.137   5.879   1.526
   
  No H/Q in entry =         124
  Start of MODEL   15
    1   1HN   DAL   1          1HN       LAN   1  -4.791  -2.119   4.044
    2   2HN   DAL   1          2HN       LAN   1  -6.306  -1.505   4.068
    3    HA   DAL   1           HA       LAN   1  -5.538  -1.719   1.839
    4   1HB   DAL   1          1HB       LAN   1  -3.239   0.107   2.805
    5   2HB   DAL   1          2HB       LAN   1  -3.555  -0.305   1.119
    6    H    SER   2           H        SER   2  -5.303   0.296   0.245
    7    HA   SER   2           HA       SER   2  -7.718   2.091   0.848
    8   1HB   SER   2          1HB       SER   2  -5.750   3.246  -0.181
    9   2HB   SER   2          2HB       SER   2  -5.802   2.137  -1.558
   10    HG   SER   2           HG       SER   2  -6.911   4.074  -1.924
   11    H    GLY   3           H        GLY   3  -8.525  -0.132   1.077
   12   1HA   GLY   3          1HA       GLY   3 -10.389  -1.612   0.162
   13   2HA   GLY   3          2HA       GLY   3  -9.709  -1.439  -1.448
   14    H    TRP   4           H        TRP   4  -8.207  -3.223  -1.987
   15    HA   TRP   4           HA       TRP   4  -6.037  -3.597  -0.053
   16   1HB   TRP   4          1HB       TRP   4  -7.309  -6.083  -1.126
   17   2HB   TRP   4          2HB       TRP   4  -5.770  -6.079  -0.325
   18    HD1  TRP   4           HD1      TRP   4  -9.427  -6.543   0.444
   19    HE1  TRP   4           HE1      TRP   4  -9.958  -6.626   3.020
   20    HE3  TRP   4           HE3      TRP   4  -4.886  -4.840   1.998
   21    HZ2  TRP   4           HZ2      TRP   4  -8.419  -5.934   5.368
   22    HZ3  TRP   4           HZ3      TRP   4  -4.476  -4.530   4.416
   23    HH2  TRP   4           HH2      TRP   4  -6.218  -5.069   6.072
   24    H    VAL   5           H        VAL   5  -5.615  -2.183  -1.737
   25    HA   VAL   5           HA       VAL   5  -4.203  -3.373  -4.163
   26    HB   VAL   5           HB       VAL   5  -3.994  -0.447  -3.324
   27   1HG1  VAL   5          2HG2      VAL   5  -1.952  -1.227  -4.558
   28   2HG1  VAL   5          3HG2      VAL   5  -2.968  -1.885  -5.861
   29   3HG1  VAL   5          1HG2      VAL   5  -2.916  -0.130  -5.557
   30   1HG2  VAL   5          3HG1      VAL   5  -5.626  -1.700  -5.619
   31   2HG2  VAL   5          1HG1      VAL   5  -6.292  -0.935  -4.156
   32   3HG2  VAL   5          2HG1      VAL   5  -5.388   0.042  -5.322
   33    H    CYS   6           HN       LAS   6  -2.761  -1.349  -1.704
   34    HA   CYS   6           HA       LAS   6  -1.398  -1.838   0.088
   35   1HB   CYS   6          1HB       LAS   6  -3.991  -2.740   0.332
   36   2HB   CYS   6          2HB       LAS   6  -3.061  -4.104   0.917
   37   1HN   ABA   7           HN       MLA   7   0.065  -2.702   0.775
   38    HA   ABA   7           HA       MLA   7   0.483  -5.384   1.513
   39   1HB   ABA   7           HB       MLA   7   2.371  -4.146   2.907
   40   1HG   ABA   7          1HG2      MLA   7  -0.040  -4.453   3.673
   41   2HG   ABA   7          2HG2      MLA   7  -0.457  -2.924   2.908
   42   3HG   ABA   7          3HG2      MLA   7   0.685  -2.939   4.266
   43    H    LEU   8           H        LEU   8   1.906  -4.337  -1.281
   44    HA   LEU   8           HA       LEU   8   4.643  -5.436  -0.739
   45   1HB   LEU   8          1HB       LEU   8   3.436  -7.538  -1.516
   46   2HB   LEU   8          2HB       LEU   8   3.098  -6.761  -3.048
   47    HG   LEU   8           HG       LEU   8   5.622  -6.550  -3.439
   48   1HD1  LEU   8          1HD2      LEU   8   5.847  -8.353  -0.933
   49   2HD1  LEU   8          2HD2      LEU   8   7.164  -8.010  -2.082
   50   3HD1  LEU   8          3HD2      LEU   8   6.493  -6.702  -1.098
   51   1HD2  LEU   8          2HD1      LEU   8   4.273  -8.381  -4.468
   52   2HD2  LEU   8          3HD1      LEU   8   5.905  -8.946  -4.067
   53   3HD2  LEU   8          1HD1      LEU   8   4.528  -9.408  -3.035
   54   1HN   ABA   9           HN       MLA   9   4.634  -3.153  -0.762
   55    HA   ABA   9           HA       MLA   9   6.091  -2.351  -3.207
   56   1HB   ABA   9           HB       MLA   9   6.620  -0.260  -1.681
   57   1HG   ABA   9          1HG2      MLA   9   8.219  -2.174  -1.968
   58   2HG   ABA   9          2HG2      MLA   9   8.220  -1.544  -0.300
   59   3HG   ABA   9          3HG2      MLA   9   7.384  -3.069  -0.671
   60    H    ILE  10           H        ILE  10   2.824  -1.579  -2.356
   61    HA   ILE  10           HA       ILE  10   2.796   1.014  -3.875
   62    HB   ILE  10           HB       ILE  10   0.940  -1.224  -4.902
   63   1HG1  ILE  10          1HG1      ILE  10   3.564  -0.691  -6.425
   64   2HG1  ILE  10          2HG1      ILE  10   3.211  -2.131  -5.488
   65   1HG2  ILE  10          2HG2      ILE  10   0.352   1.213  -5.313
   66   2HG2  ILE  10          3HG2      ILE  10   1.857   1.414  -6.239
   67   3HG2  ILE  10          1HG2      ILE  10   0.568   0.332  -6.824
   68   1HD1  ILE  10          3HD1      ILE  10   1.248  -2.671  -6.963
   69   2HD1  ILE  10          1HD1      ILE  10   1.683  -1.287  -8.004
   70   3HD1  ILE  10          2HD1      ILE  10   2.816  -2.639  -7.804
   71    H    GLU  11           H        GLU  11   1.881   2.059  -2.268
   72    HA   GLU  11           HA       GLU  11   0.410   2.797  -0.687
   73   1HB   GLU  11          1HB       GLU  11  -1.730   3.309  -1.448
   74   2HB   GLU  11          2HB       GLU  11  -0.711   3.331  -2.876
   75   1HG   GLU  11          1HG       GLU  11  -1.574   1.012  -3.497
   76   2HG   GLU  11          2HG       GLU  11  -2.722   1.126  -2.166
   77    HE2  GLU  11           HE2      GLU  11  -3.214   3.154  -5.612
   78    H    CYS  12           HN       LAS  12   1.416   0.909   0.437
   79    HA   CYS  12           HA       LAS  12  -0.452  -0.888   1.946
   80   1HB   CYS  12          2HB       LAS  12   2.431   0.090   2.496
   81   2HB   CYS  12          1HB       LAS  12   1.578  -0.940   3.640
   82    H    GLY  13           H        GLY  13   0.618   2.431   2.178
   83   1HA   GLY  13          1HA       GLY  13  -0.984   2.861   4.773
   84   2HA   GLY  13          2HA       GLY  13   0.736   3.188   4.818
   85   1HN   ABA  14           HN       MLA  14   1.154   4.614   2.461
   86    HA   ABA  14           HA       MLA  14   0.165   7.168   3.690
   87   1HB   ABA  14           HB       MLA  14  -0.293   8.451   1.892
   88   1HG   ABA  14          1HG2      MLA  14  -2.193   6.864   2.129
   89   2HG   ABA  14          2HG2      MLA  14  -2.010   7.444   0.450
   90   3HG   ABA  14          3HG2      MLA  14  -1.477   5.804   0.889
   91    H    VAL  15           H        VAL  15   2.566   5.465   3.904
   92    HA   VAL  15           HA       VAL  15   4.753   7.448   3.186
   93    HB   VAL  15           HB       VAL  15   4.333   6.450   6.065
   94   1HG1  VAL  15          2HG1      VAL  15   6.515   8.358   4.985
   95   2HG1  VAL  15          1HG1      VAL  15   6.228   7.978   6.704
   96   3HG1  VAL  15          3HG1      VAL  15   6.774   6.709   5.603
   97   1HG2  VAL  15          3HG2      VAL  15   4.012   9.328   4.977
   98   2HG2  VAL  15          1HG2      VAL  15   2.707   8.289   5.596
   99   3HG2  VAL  15          2HG2      VAL  15   3.964   8.861   6.697
  100    H    ILE  16           H        ILE  16   4.028   4.185   4.322
  101    HA   ILE  16           HA       ILE  16   6.858   3.349   4.499
  102    HB   ILE  16           HB       ILE  16   4.214   1.840   4.768
  103   1HG1  ILE  16          1HG1      ILE  16   6.404   2.344   6.877
  104   2HG1  ILE  16          2HG1      ILE  16   5.108   3.483   6.583
  105   1HG2  ILE  16          1HG2      ILE  16   5.756   0.104   3.870
  106   2HG2  ILE  16          2HG2      ILE  16   6.975   0.501   5.104
  107   3HG2  ILE  16          3HG2      ILE  16   5.407  -0.210   5.562
  108   1HD1  ILE  16          3HD1      ILE  16   3.371   1.743   7.169
  109   2HD1  ILE  16          1HD1      ILE  16   4.681   0.604   7.583
  110   3HD1  ILE  16          2HD1      ILE  16   4.493   2.113   8.500
  111    H    CYS  17           HN       LAS  17   4.364   2.210   2.195
  112    HA   CYS  17           HA       LAS  17   6.530   1.247   0.231
  113   1HB   CYS  17          2HB       LAS  17   3.731   0.389   0.910
  114   2HB   CYS  17          1HB       LAS  17   4.005   0.484  -0.788
  115    H    ALA  18           H        ALA  18   5.180   1.585  -2.056
  116    HA   ALA  18           HA       ALA  18   5.113   4.648  -2.586
  117   1HB   ALA  18          1HB       ALA  18   6.292   3.168  -4.289
  118   2HB   ALA  18          2HB       ALA  18   4.738   2.364  -4.635
  119   3HB   ALA  18          3HB       ALA  18   4.943   4.095  -4.971
  120   1HN   CSX  19           HN       LAS  19   3.430   4.006  -0.835
  121    HA   CSX  19           HA       LAS  19   2.478   6.250  -2.360
  122   1HB   CSX  19          1HB       LAS  19   0.138   5.572  -1.170
  123   2HB   CSX  19          2HB       LAS  19   1.057   5.187   0.265
  124    HXT  CSX  19           HO       LAS  19   4.849   7.892  -0.681
   
  No H/Q in entry =         124