*HEADER    DE NOVO PROTEIN                         25-FEB-05   1YYX              
*TITLE     THE SOLUTION STRUCTURE OF A REDESIGNED APOCYTOCHROME B562             
*TITLE    2 (RD-APOCYT B562) AT 2.8M UREA                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: REDESIGNED APO-CYTOCHROME B562;                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN HOMO SAPIENS           
*SOURCE   5 (HUMAN).                                                             
*KEYWDS    RD-APOCYT B562, INTERMEDIATES, HYDROPHOBIC INTERACTIONS,              
*KEYWDS   2 STRUCTURAL GENOMICS, PSI, PROTEIN STRUCTURE INITIATIVE,              
*KEYWDS   3 BERKELEY STRUCTURAL GENOMICS CENTER, BSGC                            
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    H.FENG, N.VU, Y.BAI, BERKELEY STRUCTURAL GENOMICS CENTER              
*AUTHOR   2 (BSGC)                                                               
*REVDAT   1   25-AUG-05 1YYX    0                                                

!
! A1
assign (resid   1 and name  HB# ) (resid   2 and name   HN )  2.5  0.7  0.9 ! A.439  at 1.84e+07

! D2
assign (resid   2 and name  HB2 ) (resid   2 and name   HN )  2.5  0.7  0.4 ! A.437  at 2.19e+07
assign (resid   2 and name  HB1 ) (resid   2 and name   HN )  4.0  2.2  1.0 ! A.437  at 5.19e+06
assign (resid   2 and name   HA ) (resid   3 and name   HN )  2.5  0.7  0.4 ! A.56   at 3.04e+07
assign (resid   2 and name  HB2 ) (resid   3 and name   HN )  3.0  0.7  0.4 ! A.59   at 1.52e+07 C
assign (resid   2 and name   HN ) (resid   3 and name   HN )  4.0  2.2  1.0 ! A.433  at 3.84e+06
!assign (resid   2 and name   HN ) (resid   3 and name  HB2 )  4.5  2.2  2.0 ! A.439  at 2.14e+06

! L3
assign (resid   3 and name   HG ) (resid   3 and name   HN )  4.5  2.2  2.0 ! A.65   at 7.14e+05
assign (resid   3 and name HD1# ) (resid   3 and name   HN )  4.0  2.2  1.5 ! A.66   at 3.97e+06
assign (resid   3 and name  HB2 ) (resid   3 and name   HN )  2.5  0.7  0.4 ! A.64   at 2.17e+07
assign (resid   3 and name  HB1 ) (resid   3 and name   HN )  3.0  0.7  0.5 ! A.62   at 1.69e+07 C
assign (resid   3 and name HD2# ) (resid   3 and name   HN )  4.0  2.2  1.5 ! A.67   at 4.35e+06
assign (resid   3 and name HD2# ) (resid   4 and name   HN )  4.5  2.2  2.5 ! A.998  at 1.87e+06
assign (resid   3 and name   HA ) (resid   4 and name   HN )  4.5  2.2  2.0 ! A.994  at 3.19e+06
assign (resid   3 and name   HN ) (resid   4 and name  HB1 )  4.5  2.2  2.0 ! A.61   at 1.62e+06
assign (resid   3 and name   HN ) (resid   4 and name  HG2 )  4.5  2.2  2.0 ! A.60   at 9.10e+05
assign (resid   3 and name HD1# ) (resid   4 and name   HN )  4.5  2.2  2.5 ! A.942  at 2.09e+06
assign (resid   3 and name  HB1 ) (resid   4 and name   HN )  3.5  1.2  0.5 ! A.940  at 9.13e+06
assign (resid   3 and name   HA ) (resid   5 and name   HN )  4.5  2.2  2.0 ! A.576  at 5.01e+05
assign (resid   3 and name  HB2 ) (resid   5 and name   HN )  4.5  2.2  2.0 ! A.514  at 2.61e+06
assign (resid   3 and name   HA ) (resid   6 and name   HN )  4.0  2.2  1.0 ! A.586  at 4.03e+06
assign (resid   3 and name  HB2 ) (resid   6 and name   HN )  4.5  2.2  1.5 ! A.595  at 4.47e+06 C
assign (resid   3 and name   HA ) (resid   6 and name HD22 )  4.5  2.2  2.0 ! A.1174 at 1.16e+06
assign (resid   3 and name   HA ) (resid   6 and name HD21 )  4.5  2.2  2.0 ! A.1152 at 2.23e+06
assign (resid   3 and name HD2# ) (resid   7 and name   HN )  4.5  2.2  2.5 ! A.499  at 3.04e+06
assign (resid   3 and name HD2# ) (resid  43 and name   HN )  4.5  2.2  2.5 ! A.115  at 1.68e+06
assign (resid   3 and name HD2# ) (resid  44 and name   HN )  4.5  2.2  2.5 ! A.1039 at 9.46e+05

! E4
assign (resid   4 and name  HB2 ) (resid   4 and name   HN )  3.5  1.2  0.5 ! A.937  at 8.15e+06
assign (resid   4 and name  HB2 ) (resid   5 and name   HN )  4.0  2.2  1.0 ! A.512  at 5.19e+06
assign (resid   4 and name   HN ) (resid   5 and name   HN )  2.5  0.7  0.4 ! A.930  at 1.17e+07
assign (resid   4 and name   HN ) (resid   5 and name  HB2 )  4.5  2.2  2.0 ! A.995  at 1.98e+06
assign (resid   4 and name   HN ) (resid   5 and name  HB1 )  4.5  2.2  2.0 ! A.995  at 2.98e+06
assign (resid   4 and name   HN ) (resid   7 and name  HD1 )  4.5  2.2  2.0 ! A.991  at 9.16e+05
assign (resid   4 and name   HA ) (resid   7 and name   HN )  4.0  2.2  1.0 ! A.493  at 4.67e+06

! D5
assign (resid   5 and name  HB2 ) (resid   5 and name   HN )  3.0  0.7  0.6 ! A.577  at 1.10e+07
assign (resid   5 and name  HB1 ) (resid   5 and name   HN )  2.5  0.7  0.4 ! A.577  at 1.02e+07
assign (resid   5 and name   HN ) (resid   6 and name   HN )  3.5  1.2  0.5 ! A.572  at 9.24e+06
assign (resid   5 and name   HN ) (resid   6 and name  HB2 )  4.5  2.2  2.0 ! A.512  at 3.19e+06
assign (resid   5 and name  HB2 ) (resid   6 and name   HN )  4.5  2.2  2.0 ! A.588  at 2.63e+06
assign (resid   5 and name  HB1 ) (resid   6 and name   HN )  4.0  2.2  1.0 ! A.588  at 5.63e+06
assign (resid   5 and name   HN ) (resid   7 and name  HD1 )  4.5  2.2  2.0 ! A.573  at 6.89e+05
assign (resid   5 and name   HA ) (resid   8 and name   HN )  4.0  2.2  1.0 ! A.558  at 5.33e+06
assign (resid   5 and name   HA ) (resid   9 and name   HN )  4.5  2.2  2.0 ! A.773  at 2.98e+06

! N6
assign (resid   6 and name  HB1 ) (resid   6 and name   HN )  2.5  0.7  0.4 ! A.589  at 1.32e+07
assign (resid   6 and name  HB2 ) (resid   6 and name   HN )  3.0  0.7  0.6 ! A.592  at 1.01e+07
assign (resid   6 and name  HB1 ) (resid   6 and name HD21 )  4.5  2.2  2.0 ! A.1177 at 2.33e+06
assign (resid   6 and name  HB2 ) (resid   6 and name HD22 )  4.0  2.2  1.0 ! A.1180 at 5.73e+06
assign (resid   6 and name  HB2 ) (resid   6 and name HD21 )  3.5  1.2  0.5 ! A.1179 at 7.33e+06
assign (resid   6 and name  HB1 ) (resid   6 and name HD22 )  4.5  2.2  2.0 ! A.1178 at 2.23e+06
assign (resid   6 and name   HA ) (resid   6 and name HD22 )  4.5  2.2  2.0 ! A.1173 at 3.61e+05
assign (resid   6 and name  HB1 ) (resid   7 and name   HN )  3.5  1.2  0.5 ! A.499  at 7.12e+06
assign (resid   6 and name   HN ) (resid   7 and name   HN )  2.5  0.7  0.4 ! A.579  at 9.68e+06
assign (resid   6 and name   HA ) (resid   9 and name   HN )  4.0  2.2  1.0 ! A.773  at 3.98e+06
assign (resid   6 and name HD22 ) (resid  10 and name  HB1 )  4.5  2.2  2.0 ! A.1181 at 2.13e+06
assign (resid   6 and name HD22 ) (resid  10 and name HD2# )  4.5  2.2  2.5 ! A.1183 at 2.07e+06
assign (resid   6 and name HD21 ) (resid  10 and name  HB1 )  4.5  2.2  2.0 ! A.1161 at 3.08e+06
assign (resid   6 and name HD21 ) (resid  10 and name HD2# )  4.5  2.2  2.5 ! A.1182 at 1.24e+06

! W7
assign (resid   7 and name  HD1 ) (resid   7 and name   HN )  4.5  2.2  2.0 ! A.418  at 2.62e+06
assign (resid   7 and name  HB2 ) (resid   7 and name   HN )  2.5  0.7  0.4 ! A.496  at 1.11e+07
assign (resid   7 and name  HB1 ) (resid   7 and name   HN )  4.0  2.2  1.0 ! A.496  at 3.71e+06
assign (resid   7 and name   HA ) (resid   8 and name   HN )  4.5  2.2  2.0 ! A.557  at 2.09e+06
assign (resid   7 and name   HN ) (resid   8 and name   HN )  2.5  0.7  0.4 ! A.489  at 1.00e+07
assign (resid   7 and name  HB2 ) (resid   8 and name   HN )  2.5  0.7  0.4 ! A.562  at 1.11e+07
assign (resid   7 and name   HE ) (resid   8 and name   HN )  4.5  2.2  2.0 ! A.555  at 1.95e+06
assign (resid   7 and name   HA ) (resid   9 and name   HN )  4.0  2.2  1.0 ! A.772  at 4.69e+06
assign (resid   7 and name   HA ) (resid  10 and name   HN )  4.5  2.2  2.0 ! A.133  at 3.40e+06
assign (resid   7 and name   HA ) (resid  11 and name   HN )  4.5  2.2  2.0 ! A.960  at 1.35e+06
assign (resid   7 and name   HN ) (resid  40 and name  HB# )  4.5  2.2  2.5 ! A.500  at 1.07e+06
assign (resid   7 and name  HZ2 ) (resid 103 and name HE21 )  2.5  0.7  0.4 ! A.1228 at 1.03e+08

! E8
assign (resid   8 and name  HB1 ) (resid   8 and name   HN )  2.5  0.7  0.4 ! A.567  at 3.44e+07
assign (resid   8 and name  HB2 ) (resid   8 and name   HN )  2.5  0.7  0.4 ! A.569  at 2.42e+07
assign (resid   8 and name  HG2 ) (resid   8 and name   HN )  4.0  2.2  1.0 ! A.566  at 3.90e+06
assign (resid   8 and name  HG1 ) (resid   8 and name   HN )  4.0  2.2  1.0 ! A.566  at 3.90e+06
assign (resid   8 and name   HN ) (resid   9 and name   HN )  2.5  0.7  0.4 ! A.771  at 9.96e+06
assign (resid   8 and name  HB1 ) (resid   9 and name   HN )  2.5  0.7  0.4 ! A.778  at 1.47e+07
assign (resid   8 and name  HG2 ) (resid   9 and name   HN )  4.5  2.2  2.0 ! A.777  at 2.60e+06
!assign (resid   8 and name   HN ) (resid  10 and name   HG )  4.5  2.2  2.0 ! A.570  at 5.44e+05
assign (resid   8 and name   HN ) (resid  10 and name HD2# )  4.5  2.2  2.5 ! A.571  at 6.95e+05
assign (resid   8 and name   HN ) (resid  11 and name  HB1 )  4.5  2.2  2.0 ! A.563  at 5.92e+05
assign (resid   8 and name   HA ) (resid  11 and name HD22 )  4.5  2.2  2.0 ! A.1261 at 6.27e+05
assign (resid   8 and name   HA ) (resid  11 and name   HN )  4.0  2.2  1.0 ! A.962  at 4.92e+06
assign (resid   8 and name  HG2 ) (resid  12 and name   HN )  4.5  2.2  2.0 ! A.393  at 1.45e+06
assign (resid   8 and name  HB# ) (resid  12 and name   HN )  4.5  2.2  2.5 ! A.394  at 1.09e+06
assign (resid   8 and name   HA ) (resid  12 and name   HN )  4.5  2.2  2.0 ! A.390  at 2.27e+06

! T9
assign (resid   9 and name   HB ) (resid   9 and name   HN )  2.5  0.7  0.4 ! A.774  at 1.89e+07
assign (resid   9 and name HG2# ) (resid   9 and name   HN )  4.0  2.2  1.5 ! A.780  at 6.20e+06
assign (resid   9 and name   HB ) (resid  10 and name   HN )  3.5  1.2  0.5 ! A.135  at 8.93e+06
assign (resid   9 and name HG2# ) (resid  10 and name   HN )  4.0  2.2  1.5 ! A.147  at 4.28e+06
assign (resid   9 and name   HN ) (resid  10 and name  HB2 )  4.5  2.2  2.0 ! A.779  at 2.70e+06
assign (resid   9 and name   HN ) (resid  10 and name   HG )  4.5  2.2  2.0 ! A.777  at 8.59e+05
assign (resid   9 and name   HN ) (resid  10 and name   HN )  4.0  2.2  1.0 ! A.127  at 4.40e+06
assign (resid   9 and name   HA ) (resid  11 and name   HN )  4.5  2.2  2.0 ! A.963  at 1.63e+06
assign (resid   9 and name HG2# ) (resid  13 and name   HN )  4.5  2.2  2.5 ! A.898  at 3.49e+06
assign (resid   9 and name HG2# ) (resid  13 and name HD22 )  2.5  0.7  0.9 ! A.1168 at 1.33e+07
assign (resid   9 and name HG2# ) (resid  13 and name HD21 )  4.5  2.2  2.5 ! A.1167 at 3.11e+06

! L10
assign (resid  10 and name  HB1 ) (resid  10 and name   HN )  3.0  0.7  0.4 ! A.141  at 1.07e+07
assign (resid  10 and name  HB2 ) (resid  10 and name   HN )  2.5  0.7  0.4 ! A.146  at 1.13e+07
assign (resid  10 and name HD1# ) (resid  10 and name   HN )  4.0  2.2  1.5 ! A.148  at 4.23e+06
assign (resid  10 and name   HG ) (resid  10 and name   HN )  3.5  0.7  0.6 ! A.144  at 1.57e+07 C
assign (resid  10 and name   HN ) (resid  11 and name  HB2 )  4.5  2.2  2.0 ! A.139  at 4.68e+05
assign (resid  10 and name   HN ) (resid  11 and name   HA )  4.5  2.2  2.0 ! A.134  at 1.84e+06
assign (resid  10 and name   HG ) (resid  11 and name   HN )  4.0  2.2  1.0 ! A.963  at 3.82e+06
assign (resid  10 and name  HB2 ) (resid  11 and name   HN )  3.5  1.2  0.5 ! A.966  at 7.63e+06
assign (resid  10 and name HD2# ) (resid  11 and name   HN )  4.5  2.2  2.5 ! A.970  at 2.09e+06
assign (resid  10 and name   HA ) (resid  11 and name   HN )  4.5  2.2  2.0 ! A.963  at 2.63e+06
assign (resid  10 and name  HB1 ) (resid  11 and name   HN )  4.0  2.2  1.0 ! A.967  at 6.22e+06
assign (resid  10 and name HD1# ) (resid  12 and name   HN )  4.5  2.2  2.5 ! A.398  at 9.30e+05
assign (resid  10 and name HD2# ) (resid  12 and name   HN )  4.5  2.2  2.5 ! A.399  at 9.71e+05
assign (resid  10 and name   HN ) (resid  13 and name HD21 )  4.5  2.2  2.0 ! A.131  at 1.06e+06
assign (resid  10 and name   HG ) (resid  13 and name   HN )  4.5  2.2  2.0 ! A.896  at 1.13e+06
assign (resid  10 and name HD1# ) (resid  13 and name HD21 )  4.5  2.2  2.5 ! A.1169 at 9.66e+05
assign (resid  10 and name  HB1 ) (resid  13 and name   HN )  4.0  2.2  1.0 ! A.893  at 4.81e+06
assign (resid  10 and name   HA ) (resid  13 and name   HN )  4.5  2.2  2.0 ! A.889  at 3.09e+06
assign (resid  10 and name   HA ) (resid  13 and name HD21 )  4.5  2.2  2.0 ! A.1151 at 3.35e+06
assign (resid  10 and name  HB1 ) (resid  14 and name   HN )  4.5  2.2  2.0 ! A.161  at 1.77e+06

! N11
assign (resid  11 and name HD22 ) (resid  11 and name   HN )  4.5  2.2  2.0 ! A.959  at 6.56e+05
assign (resid  11 and name HD21 ) (resid  11 and name   HN )  4.5  2.2  2.0 ! A.958  at 2.85e+06
assign (resid  11 and name  HB2 ) (resid  11 and name   HN )  2.5  0.7  0.4 ! A.964  at 1.04e+07
assign (resid  11 and name  HB1 ) (resid  11 and name   HN )  3.5  1.2  0.5 ! A.964  at 8.84e+06
assign (resid  11 and name  HB1 ) (resid  11 and name HD22 )  3.5  1.2  0.5 ! A.1263 at 6.74e+06
assign (resid  11 and name HD22 ) (resid  12 and name   HN )  4.5  2.2  2.0 ! A.386  at 5.25e+05
assign (resid  11 and name   HN ) (resid  12 and name   HN )  2.5  0.7  0.4 ! A.382  at 9.56e+06
assign (resid  11 and name  HB1 ) (resid  12 and name   HN )  2.5  0.7  0.4 ! A.391  at 1.55e+07
assign (resid  11 and name  HB1 ) (resid  13 and name   HN )  3.5  1.2  0.5 ! A.890  at 6.55e+06
assign (resid  11 and name HD21 ) (resid  14 and name HD1# )  4.5  2.2  2.5 ! A.1268 at 2.77e+06
assign (resid  11 and name HD21 ) (resid  14 and name  HB2 )  4.5  2.2  2.0 ! A.1266 at 2.13e+06
assign (resid  11 and name HD22 ) (resid  14 and name HD1# )  4.5  2.2  2.5 ! A.1269 at 1.60e+06
assign (resid  11 and name HD22 ) (resid  14 and name  HB2 )  4.5  2.2  2.0 ! A.1267 at 1.28e+06
assign (resid  11 and name HD21 ) (resid  15 and name  HG1 )  4.5  2.2  2.0 ! A.1264 at 2.80e+06
assign (resid  11 and name HD22 ) (resid  15 and name   HN )  4.0  2.2  1.0 ! A.1257 at 4.06e+06
assign (resid  11 and name HD22 ) (resid  95 and name  HG2 )  4.5  2.2  2.0 ! A.1265 at 1.13e+06

! D12
assign (resid  12 and name  HB1 ) (resid  12 and name   HN )  3.5  1.2  0.5 ! A.391  at 9.05e+06
assign (resid  12 and name  HB2 ) (resid  12 and name   HN )  2.5  0.7  0.4 ! A.392  at 1.13e+07
assign (resid  12 and name   HN ) (resid  13 and name   HN )  3.5  1.2  0.5 ! A.284  at 9.04e+06
assign (resid  12 and name  HB1 ) (resid  13 and name HD21 )  4.0  2.2  1.0 ! A.1155 at 5.04e+06
assign (resid  12 and name   HN ) (resid  14 and name   HN )  4.5  2.2  2.0 ! A.149  at 6.90e+05

! N13
assign (resid  13 and name HD22 ) (resid  13 and name   HN )  4.0  2.2  1.0 ! A.886  at 5.42e+06
assign (resid  13 and name  HB2 ) (resid  13 and name   HN )  2.5  0.7  0.4 ! A.892  at 1.40e+07
assign (resid  13 and name HD21 ) (resid  13 and name   HN )  2.5  0.7  0.4 ! A.884  at 8.76e+07
assign (resid  13 and name  HB1 ) (resid  13 and name   HN )  4.5  2.2  2.0 ! A.891  at 2.03e+06
assign (resid  13 and name  HB2 ) (resid  13 and name HD22 )  4.0  2.2  1.0 ! A.1157 at 4.76e+06
assign (resid  13 and name   HA ) (resid  13 and name HD21 )  4.5  2.2  2.0 ! A.1148 at 8.81e+05
assign (resid  13 and name  HB1 ) (resid  13 and name HD22 )  4.5  2.2  2.0 ! A.1154 at 2.67e+06
assign (resid  13 and name  HB2 ) (resid  13 and name HD21 )  4.5  2.2  2.0 ! A.1156 at 3.05e+06
assign (resid  13 and name  HB1 ) (resid  13 and name HD21 )  4.5  2.2  2.0 ! A.1153 at 3.05e+06
assign (resid  13 and name  HB2 ) (resid  14 and name   HN )  4.5  2.2  2.0 ! A.156  at 2.12e+06
assign (resid  13 and name   HA ) (resid  14 and name   HN )  3.5  1.2  0.5 ! A.152  at 6.93e+06
assign (resid  13 and name   HN ) (resid  15 and name   HN )  4.5  2.2  2.0 ! A.613  at 2.69e+06
assign (resid  13 and name   HA ) (resid  16 and name   HN )  4.0  2.2  1.0 ! A.615  at 5.45e+06
assign (resid  13 and name HD21 ) (resid  32 and name  HB1 )  4.5  2.2  2.0 ! A.1163 at 2.36e+06
assign (resid  13 and name HD22 ) (resid  32 and name  HB2 )  4.0  2.2  1.0 ! A.1164 at 5.19e+06
assign (resid  13 and name HD22 ) (resid  32 and name   HA )  4.5  2.2  2.0 ! A.1150 at 2.95e+06
assign (resid  13 and name HD22 ) (resid  32 and name  HG1 )  4.5  2.2  2.0 ! A.1166 at 1.16e+06
assign (resid  13 and name HD22 ) (resid  33 and name   HN )  4.5  2.2  2.0 ! A.635  at 9.53e+05
assign (resid  13 and name HD21 ) (resid  33 and name  HB1 )  4.5  2.2  2.0 ! A.1160 at 1.28e+06
assign (resid  13 and name HD22 ) (resid  33 and name  HG1 )  4.0  2.2  1.0 ! A.1159 at 4.32e+06
assign (resid  13 and name HD21 ) (resid  33 and name  HG1 )  4.0  2.2  1.0 ! A.1158 at 4.19e+06
assign (resid  13 and name HD22 ) (resid  36 and name   HN )  4.5  2.2  2.0 ! A.395  at 1.25e+06

! L14
assign (resid  14 and name  HB1 ) (resid  14 and name   HN )  3.5  1.2  0.5 ! A.157  at 8.05e+06
assign (resid  14 and name   HG ) (resid  14 and name   HN )  3.5  1.2  0.5 ! A.157  at 8.21e+06
assign (resid  14 and name HD1# ) (resid  14 and name   HN )  2.5  0.7  0.9 ! A.160  at 1.23e+07
assign (resid  14 and name  HB2 ) (resid  14 and name   HN )  2.5  0.7  0.4 ! A.158  at 1.19e+07
assign (resid  14 and name   HN ) (resid  15 and name   HN )  2.5  0.7  0.4 ! A.613  at 1.39e+07
assign (resid  14 and name   HA ) (resid  17 and name   HN )  4.5  2.2  2.0 ! A.600  at 2.36e+06
assign (resid  14 and name HD2# ) (resid  95 and name   HN )  4.0  2.2  1.5 ! A.658  at 6.12e+06
assign (resid  14 and name HD1# ) (resid  95 and name   HN )  4.5  2.2  2.5 ! A.658  at 3.12e+06

! K15
assign (resid  15 and name  HB1 ) (resid  15 and name   HN )  2.5  0.7  0.4 ! A.650  at 2.50e+07
assign (resid  15 and name  HD# ) (resid  15 and name   HN )  4.0  2.2  1.5 ! A.651  at 6.08e+06
assign (resid  15 and name  HG2 ) (resid  15 and name   HN )  4.5  2.2  2.0 ! A.651  at 2.28e+06
assign (resid  15 and name  HG1 ) (resid  15 and name   HN )  4.5  2.2  2.0 ! A.651  at 2.28e+06
assign (resid  15 and name   HA ) (resid  17 and name   HN )  4.5  2.2  2.0 ! A.600  at 2.36e+06
assign (resid  15 and name   HA ) (resid  18 and name   HN )  4.0  2.2  1.0 ! A.599  at 5.57e+06

! V16
assign (resid  16 and name   HB ) (resid  16 and name   HN )  2.5  0.7  0.4 ! A.619  at 1.51e+07
assign (resid  16 and name HG1# ) (resid  16 and name   HN )  2.5  0.7  0.9 ! A.622  at 2.25e+07
assign (resid  16 and name HG2# ) (resid  16 and name   HN )  3.5  1.2  1.0 ! A.624  at 9.23e+06
assign (resid  16 and name HG1# ) (resid  17 and name   HN )  4.5  2.2  2.5 ! A.609  at 1.17e+06
assign (resid  16 and name   HA ) (resid  17 and name   HN )  4.5  2.2  2.0 ! A.611  at 1.64e+06
assign (resid  16 and name   HN ) (resid  17 and name   HN )  2.5  0.7  0.4 ! A.583  at 9.56e+06
assign (resid  16 and name   HB ) (resid  17 and name   HN )  3.5  1.2  0.5 ! A.590  at 7.69e+06
assign (resid  16 and name   HA ) (resid  19 and name   HN )  4.5  2.2  2.0 ! A.1042 at 8.76e+05
assign (resid  16 and name HG1# ) (resid  20 and name   HN )  4.0  2.2  1.5 ! A.104  at 4.01e+06

! I17
assign (resid  17 and name  HB1 ) (resid  17 and name   HN )  2.5  0.7  0.4 ! A.593  at 2.39e+07
assign (resid  17 and name  HG# ) (resid  17 and name   HN )  4.0  2.2  1.5 ! A.607  at 5.74e+06
assign (resid  17 and name HG2# ) (resid  17 and name   HN )  3.5  1.2  1.0 ! A.610  at 8.38e+06
assign (resid  17 and name   HN ) (resid  18 and name  HG1 )  4.5  2.2  2.0 ! A.590  at 2.69e+06
assign (resid  17 and name   HA ) (resid  18 and name   HN )  4.5  2.2  2.0 ! A.607  at 1.46e+06
assign (resid  17 and name HG2# ) (resid  18 and name   HN )  3.5  1.2  1.0 ! A.599  at 8.38e+06
assign (resid  17 and name HG2# ) (resid  19 and name   HN )  4.5  2.2  2.5 ! A.1053 at 1.04e+06
assign (resid  17 and name   HA ) (resid  20 and name   HN )  4.5  2.2  2.0 ! A.97   at 2.48e+06
assign (resid  17 and name HG2# ) (resid  88 and name HE22 )  4.5  2.2  2.5 ! A.1141 at 1.25e+06
assign (resid  17 and name HG2# ) (resid  89 and name   HN )  4.5  2.2  2.5 ! A.91   at 2.53e+06
assign (resid  17 and name HG2# ) (resid  91 and name   HN )  4.5  2.2  2.5 ! A.270  at 2.00e+06

! E18
assign (resid  18 and name  HG1 ) (resid  18 and name   HN )  4.0  2.2  1.0 ! A.769  at 6.01e+06
assign (resid  18 and name  HB1 ) (resid  18 and name   HN )  3.5  1.2  0.5 ! A.606  at 7.91e+06
assign (resid  18 and name  HB2 ) (resid  18 and name   HN )  2.5  0.7  0.4 ! A.606  at 1.01e+07
assign (resid  18 and name  HG2 ) (resid  18 and name   HN )  3.5  1.2  0.5 ! A.769  at 6.75e+06
assign (resid  18 and name   HA ) (resid  19 and name   HN )  4.5  2.2  2.0 ! A.1045 at 1.46e+06
assign (resid  18 and name   HN ) (resid  19 and name  HG1 )  4.0  2.2  1.0 ! A.608  at 3.63e+06
assign (resid  18 and name   HN ) (resid  19 and name   HN )  3.5  1.2  0.5 ! A.1041 at 7.08e+06
assign (resid  18 and name  HG2 ) (resid  19 and name   HN )  4.0  2.2  1.0 ! A.1048 at 4.55e+06
assign (resid  18 and name  HG2 ) (resid  20 and name   HN )  4.5  2.2  2.0 ! A.98   at 6.42e+05
assign (resid  18 and name   HN ) (resid  88 and name  HG1 )  4.5  2.2  2.0 ! A.768  at 3.01e+06
assign (resid  18 and name   HN ) (resid  88 and name HE21 )  4.5  2.2  2.0 ! A.1126 at 1.11e+06

! K19
assign (resid  19 and name  HB1 ) (resid  19 and name   HN )  3.5  1.2  0.5 ! A.1050 at 8.63e+06
assign (resid  19 and name  HG1 ) (resid  19 and name   HN )  2.5  0.7  0.4 ! A.1052 at 1.14e+07
assign (resid  19 and name  HB2 ) (resid  19 and name   HN )  2.5  0.7  0.4 ! A.1051 at 1.12e+07
assign (resid  19 and name  HB2 ) (resid  20 and name   HN )  4.5  2.2  2.0 ! A.101  at 2.88e+06
assign (resid  19 and name   HN ) (resid  20 and name   HN )  4.5  2.2  2.0 ! A.94   at 1.16e+06
assign (resid  19 and name   HA ) (resid  20 and name   HN )  4.0  2.2  1.0 ! A.95   at 4.81e+06
assign (resid  19 and name  HB1 ) (resid  20 and name   HN )  4.5  2.2  2.0 ! A.99   at 3.17e+06
assign (resid  19 and name   HN ) (resid  20 and name   HA )  4.5  2.2  2.0 ! A.1044 at 8.28e+05
assign (resid  19 and name  HB2 ) (resid  21 and name   HN )  4.5  2.2  2.0 ! A.950  at 8.23e+05
assign (resid  19 and name  HG# ) (resid  21 and name   HN )  4.0  2.2  1.5 ! A.870  at 6.03e+06

! A20
assign (resid  20 and name  HB# ) (resid  20 and name   HN )  2.5  0.7  0.9 ! A.103  at 3.32e+07
assign (resid  20 and name   HN ) (resid  21 and name   HN )  4.5  2.2  2.0 ! A.946  at 1.35e+06
assign (resid  20 and name  HB# ) (resid  21 and name   HN )  3.5  1.2  1.0 ! A.870  at 7.39e+06
assign (resid  20 and name   HN ) (resid  22 and name   HN )  4.5  2.2  2.0 ! A.93   at 2.86e+06
assign (resid  20 and name   HA ) (resid  22 and name   HN )  4.0  2.2  1.0 ! A.1149 at 5.11e+06
assign (resid  20 and name  HB# ) (resid  22 and name   HN )  4.0  2.2  1.5 ! A.1165 at 5.52e+06
assign (resid  20 and name  HB# ) (resid  25 and name   HN )  4.5  2.2  2.5 ! A.730  at 2.50e+06
assign (resid  20 and name  HB# ) (resid  26 and name   HN )  4.0  2.2  1.5 ! A.793  at 6.44e+06

! D21
assign (resid  21 and name  HB1 ) (resid  21 and name   HN )  4.0  2.2  1.0 ! A.950  at 6.01e+06
assign (resid  21 and name  HB2 ) (resid  21 and name   HN )  4.0  2.2  1.0 ! A.951  at 5.06e+06
assign (resid  21 and name  HB2 ) (resid  22 and name HD22 )  4.0  2.2  1.0 ! A.1023 at 4.17e+06
assign (resid  21 and name  HB2 ) (resid  22 and name HD21 )  4.5  2.2  2.0 ! A.1022 at 2.66e+06
assign (resid  21 and name   HA ) (resid  22 and name HD22 )  4.5  2.2  2.0 ! A.1019 at 7.73e+05
assign (resid  21 and name   HN ) (resid  22 and name   HN )  2.5  0.7  0.4 ! A.945  at 1.92e+07
assign (resid  21 and name  HB2 ) (resid  24 and name   HN )  4.5  2.2  2.0 ! A.133  at 7.21e+05
assign (resid  21 and name  HB2 ) (resid  25 and name HE22 )  4.0  2.2  1.0 ! A.1319 at 5.31e+06
assign (resid  21 and name  HB2 ) (resid  25 and name   HN )  4.0  2.2  1.0 ! A.859  at 4.50e+06
assign (resid  21 and name   HN ) (resid  25 and name  HG# )  4.5  2.2  2.5 ! A.871  at 1.41e+06
assign (resid  21 and name   HN ) (resid  84 and name HG1# )  4.5  2.2  2.5 ! A.952  at 1.02e+06

! N22
assign (resid  22 and name   HN ) (resid  22 and name HD21 )  2.5  0.7  0.4 ! A.1013 at 8.65e+07
assign (resid  22 and name HD22 ) (resid  22 and name   HN )  4.0  2.2  1.0 ! A.1206 at 5.26e+06
assign (resid  22 and name  HB2 ) (resid  22 and name HD22 )  4.0  2.2  1.0 ! A.1021 at 4.58e+06
assign (resid  22 and name  HB1 ) (resid  22 and name HD22 )  4.5  2.2  2.0 ! A.1021 at 2.58e+06
assign (resid  22 and name  HB1 ) (resid  22 and name HD21 )  4.0  2.2  1.0 ! A.1020 at 4.20e+06
assign (resid  22 and name  HB2 ) (resid  22 and name HD21 )  3.5  1.2  0.5 ! A.1020 at 8.20e+06
assign (resid  22 and name  HB2 ) (resid  22 and name   HN )  4.5  2.2  2.0 ! A.1153 at 3.05e+06
assign (resid  22 and name  HB1 ) (resid  23 and name   HN )  2.5  0.7  0.4 ! A.218  at 1.88e+07
assign (resid  22 and name   HA ) (resid  23 and name   HN )  2.5  0.7  0.4 ! A.216  at 2.83e+07
assign (resid  22 and name   HN ) (resid  23 and name   HN )  4.5  2.2  2.0 ! A.215  at 1.35e+06
assign (resid  22 and name   HA ) (resid  24 and name   HN )  4.5  2.2  2.0 ! A.177  at 1.29e+06
assign (resid  22 and name  HB2 ) (resid  24 and name   HN )  4.0  2.2  1.0 ! A.180  at 6.45e+06
assign (resid  22 and name HD22 ) (resid  25 and name HE22 )  2.5  0.7  0.4 ! A.1014 at 1.02e+08
assign (resid  22 and name  HB1 ) (resid  25 and name HE21 )  4.0  2.2  1.0 ! A.1316 at 4.75e+06
assign (resid  22 and name  HB1 ) (resid  25 and name   HN )  4.5  2.2  2.0 ! A.723  at 6.42e+05
assign (resid  22 and name HD21 ) (resid  25 and name   HN )  4.5  2.2  2.0 ! A.854  at 2.23e+06
assign (resid  22 and name HD21 ) (resid  25 and name  HG1 )  4.5  2.2  2.0 ! A.1024 at 1.70e+06
assign (resid  22 and name HD22 ) (resid  25 and name  HG1 )  4.5  2.2  2.0 ! A.1025 at 3.30e+06
assign (resid  22 and name   HN ) (resid  25 and name  HB1 )  4.5  2.2  2.0 ! A.1162 at 2.28e+06
assign (resid  22 and name   HN ) (resid  25 and name  HG1 )  4.5  2.2  2.0 ! A.1158 at 2.19e+06
assign (resid  22 and name   HN ) (resid  26 and name HG2# )  4.5  2.2  2.5 ! A.1203 at 1.56e+06
assign (resid  22 and name   HN ) (resid  84 and name HG1# )  4.5  2.2  2.5 ! A.1208 at 2.13e+06

! A23
assign (resid  23 and name  HB# ) (resid  23 and name   HN )  2.5  0.7  0.9 ! A.219  at 3.33e+07
assign (resid  23 and name   HN ) (resid  24 and name   HN )  3.5  1.2  0.5 ! A.213  at 8.32e+06
assign (resid  23 and name   HA ) (resid  24 and name   HN )  4.5  2.2  2.0 ! A.138  at 3.50e+06
assign (resid  23 and name   HA ) (resid  26 and name   HN )  4.0  2.2  1.0 ! A.786  at 4.28e+06
assign (resid  23 and name  HB# ) (resid  82 and name   HN )  4.0  2.2  1.5 ! A.1395 at 5.09e+06
assign (resid  23 and name   HN ) (resid  84 and name HG1# )  3.5  1.2  1.0 ! A.220  at 9.44e+06

! A24
assign (resid  24 and name  HB# ) (resid  24 and name   HN )  2.5  0.7  0.9 ! A.145  at 6.25e+07
assign (resid  24 and name   HA ) (resid  25 and name   HN )  4.5  2.2  2.0 ! A.858  at 5.60e+05
assign (resid  24 and name   HN ) (resid  25 and name   HN )  2.5  0.7  0.4 ! A.129  at 1.77e+07
assign (resid  24 and name   HN ) (resid  25 and name  HG1 )  4.5  2.2  2.0 ! A.142  at 1.98e+06
assign (resid  24 and name  HB# ) (resid  25 and name   HN )  4.0  2.2  1.5 ! A.730  at 4.50e+06
assign (resid  24 and name   HN ) (resid  26 and name   HN )  4.5  2.2  2.0 ! A.132  at 7.25e+05
assign (resid  24 and name   HA ) (resid  27 and name   HN )  4.0  2.2  1.0 ! A.517  at 3.60e+06
assign (resid  24 and name   HA ) (resid  80 and name HD22 )  4.5  2.2  2.0 ! A.1333 at 1.60e+06

! Q25
assign (resid  25 and name  HB1 ) (resid  25 and name   HN )  3.5  1.2  0.5 ! A.861  at 9.09e+06
assign (resid  25 and name HE22 ) (resid  25 and name   HN )  4.0  2.2  1.0 ! A.856  at 6.28e+06
assign (resid  25 and name HE21 ) (resid  25 and name   HN )  4.5  2.2  2.0 ! A.855  at 4.92e+05
assign (resid  25 and name  HG1 ) (resid  25 and name HE22 )  3.5  1.2  0.5 ! A.1321 at 6.88e+06
assign (resid  25 and name  HB1 ) (resid  25 and name HE22 )  4.5  2.2  2.0 ! A.1324 at 9.76e+05
assign (resid  25 and name  HB1 ) (resid  25 and name HE21 )  4.5  2.2  2.0 ! A.1323 at 1.83e+06
assign (resid  25 and name  HG1 ) (resid  25 and name HE21 )  2.5  0.7  0.4 ! A.1320 at 1.27e+07
assign (resid  25 and name   HA ) (resid  25 and name HE21 )  4.5  2.2  2.0 ! A.1315 at 1.39e+06
assign (resid  25 and name  HG2 ) (resid  25 and name   HN )  4.0  2.2  1.0 ! A.724  at 3.70e+06
assign (resid  25 and name  HG1 ) (resid  25 and name   HN )  2.5  0.7  0.4 ! A.724  at 2.20e+07
assign (resid  25 and name  HG2 ) (resid  25 and name HE21 )  4.5  2.2  2.0 ! A.1306 at 1.35e+06
assign (resid  25 and name   HN ) (resid  26 and name   HN )  2.5  0.7  0.4 ! A.856  at 1.02e+07
assign (resid  25 and name  HB1 ) (resid  26 and name   HN )  4.0  2.2  1.0 ! A.791  at 3.70e+06
assign (resid  25 and name   HN ) (resid  26 and name HG2# )  4.5  2.2  2.5 ! A.862  at 1.80e+06
assign (resid  25 and name  HG1 ) (resid  26 and name   HN )  4.0  2.2  1.0 ! A.789  at 4.44e+06
assign (resid  25 and name   HA ) (resid  26 and name   HN )  4.5  2.2  2.0 ! A.785  at 2.77e+06
assign (resid  25 and name  HB1 ) (resid  27 and name   HN )  4.5  2.2  1.5 ! A.501  at 4.21e+06 C
assign (resid  25 and name   HN ) (resid  27 and name  HD1 )  4.5  2.2  2.0 ! A.730  at 2.50e+06
assign (resid  25 and name  HB1 ) (resid  28 and name   HN )  4.0  1.2  1.0 ! A.377  at 8.23e+06
assign (resid  25 and name   HN ) (resid  28 and name  HB2 )  4.5  2.2  2.0 ! A.860  at 5.49e+05
assign (resid  25 and name   HA ) (resid  28 and name   HN )  4.0  2.2  1.0 ! A.371  at 6.28e+06

! V26
assign (resid  26 and name   HB ) (resid  26 and name   HN )  2.5  0.7  0.4 ! A.790  at 1.41e+07
assign (resid  26 and name HG1# ) (resid  26 and name   HN )  2.5  0.7  0.9 ! A.795  at 1.57e+07
assign (resid  26 and name HG2# ) (resid  26 and name   HN )  3.5  1.2  1.0 ! A.796  at 6.89e+06
assign (resid  26 and name   HN ) (resid  27 and name   HN )  2.5  0.7  0.4 ! A.491  at 1.01e+07
assign (resid  26 and name   HB ) (resid  28 and name   HN )  4.5  2.2  2.0 ! A.376  at 7.88e+05
assign (resid  26 and name   HN ) (resid  28 and name   HN )  4.5  2.2  2.0 ! A.783  at 6.60e+05
assign (resid  26 and name   HN ) (resid  28 and name  HB1 )  4.5  2.2  2.0 ! A.788  at 9.25e+05
assign (resid  26 and name   HA ) (resid  29 and name   HN )  4.5  2.2  2.0 ! A.278  at 2.19e+06
assign (resid  26 and name HG2# ) (resid  88 and name   HN )  4.0  2.2  1.5 ! A.943  at 4.20e+06

! K27
assign (resid  27 and name  HG1 ) (resid  27 and name   HN )  2.5  0.7  0.4 ! A.524  at 1.12e+07
assign (resid  27 and name  HD1 ) (resid  27 and name   HN )  3.5  1.2  0.5 ! A.523  at 8.55e+06
assign (resid  27 and name  HB2 ) (resid  27 and name   HN )  4.0  2.2  1.0 ! A.523  at 5.55e+06
assign (resid  27 and name  HB1 ) (resid  27 and name   HN )  4.0  2.2  1.0 ! A.523  at 4.55e+06
assign (resid  27 and name   HA ) (resid  28 and name   HN )  4.0  2.2  1.0 ! A.372  at 3.56e+06
assign (resid  27 and name   HN ) (resid  28 and name   HN )  3.5  1.2  0.5 ! A.488  at 8.89e+06
assign (resid  27 and name  HB2 ) (resid  28 and name   HN )  3.5  1.2  0.5 ! A.378  at 9.03e+06
assign (resid  27 and name  HG1 ) (resid  28 and name   HN )  4.5  2.2  2.0 ! A.379  at 2.11e+06
assign (resid  27 and name  HD1 ) (resid  28 and name   HN )  4.0  2.2  1.0 ! A.379  at 5.11e+06
assign (resid  27 and name   HA ) (resid  30 and name   HN )  4.0  2.2  1.0 ! A.739  at 3.97e+06
assign (resid  27 and name   HN ) (resid  79 and name  HB# )  4.0  2.2  1.5 ! A.525  at 5.72e+06
assign (resid  27 and name  HE1 ) (resid  80 and name HD22 )  3.5  1.2  0.5 ! A.1334 at 7.11e+06
assign (resid  27 and name  HG1 ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.674  at 1.69e+06
assign (resid  27 and name  HB1 ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.673  at 2.21e+06
assign (resid  27 and name  HG1 ) (resid  80 and name HD21 )  4.5  2.2  2.0 ! A.1325 at 2.16e+06
assign (resid  27 and name  HD1 ) (resid  80 and name HD21 )  4.0  2.2  1.0 ! A.1337 at 3.70e+06
assign (resid  27 and name  HD1 ) (resid  80 and name HD22 )  4.5  2.2  2.0 ! A.1338 at 3.38e+06

! D28
assign (resid  28 and name  HB1 ) (resid  28 and name   HN )  2.5  0.7  0.4 ! A.375  at 2.51e+07
assign (resid  28 and name  HB2 ) (resid  28 and name   HN )  2.5  0.7  0.4 ! A.375  at 1.76e+07
assign (resid  28 and name   HN ) (resid  29 and name   HN )  2.5  0.7  0.4 ! A.272  at 1.21e+07
assign (resid  28 and name  HB2 ) (resid  29 and name   HN )  2.5  0.7  0.4 ! A.277  at 1.19e+07
assign (resid  28 and name  HB1 ) (resid  29 and name   HN )  3.5  1.2  0.5 ! A.277  at 6.74e+06
assign (resid  28 and name   HN ) (resid  29 and name  HB# )  4.5  2.2  2.5 ! A.379  at 2.11e+06
assign (resid  28 and name   HN ) (resid  30 and name  HB2 )  4.0  2.2  1.0 ! A.380  at 3.58e+06
assign (resid  28 and name   HN ) (resid  80 and name HD21 )  4.5  2.2  2.0 ! A.1327 at 6.10e+05

! A29
assign (resid  29 and name  HB# ) (resid  29 and name   HN )  2.5  0.7  0.9 ! A.279  at 3.10e+07
assign (resid  29 and name   HN ) (resid  30 and name  HB2 )  4.5  2.2  2.0 ! A.273  at 1.58e+06
assign (resid  29 and name   HN ) (resid  30 and name   HN )  3.5  1.2  0.5 ! A.736  at 9.33e+06
assign (resid  29 and name  HB# ) (resid  30 and name   HN )  2.5  0.7  0.9 ! A.745  at 1.22e+07

! L30
assign (resid  30 and name   HG ) (resid  30 and name   HN )  2.5  0.7  0.4 ! A.744  at 1.36e+07
assign (resid  30 and name HD1# ) (resid  30 and name   HN )  2.5  0.7  0.9 ! A.749  at 1.75e+07
assign (resid  30 and name  HB1 ) (resid  30 and name   HN )  3.5  1.2  0.5 ! A.747  at 9.22e+06
assign (resid  30 and name HD2# ) (resid  30 and name   HN )  3.5  1.2  1.0 ! A.750  at 7.30e+06
assign (resid  30 and name  HB2 ) (resid  30 and name   HN )  2.5  0.7  0.4 ! A.742  at 1.35e+07
assign (resid  30 and name   HN ) (resid  31 and name   HN )  4.0  2.2  1.0 ! A.954  at 6.49e+06
assign (resid  30 and name  HB1 ) (resid  31 and name   HN )  4.0  2.2  1.0 ! A.967  at 6.22e+06
assign (resid  30 and name HD2# ) (resid  31 and name   HN )  4.5  2.2  2.5 ! A.971  at 2.07e+06
assign (resid  30 and name   HA ) (resid  33 and name   HN )  4.0  2.2  1.0 ! A.636  at 4.96e+06
assign (resid  30 and name   HA ) (resid  34 and name   HN )  4.0  2.2  1.0 ! A.322  at 3.61e+06
assign (resid  30 and name  HB2 ) (resid  34 and name   HN )  4.5  2.2  1.5 ! A.330  at 5.03e+06 C
assign (resid  30 and name  HB2 ) (resid  76 and name   HN )  4.5  2.2  2.0 ! A.308  at 2.53e+06
assign (resid  30 and name HD1# ) (resid  79 and name   HN )  4.5  2.2  2.5 ! A.271  at 2.22e+06
assign (resid  30 and name HD1# ) (resid  80 and name   HN )  4.5  2.2  2.5 ! A.676  at 3.43e+06

! T31
assign (resid  31 and name HG2# ) (resid  31 and name   HN )  2.5  0.7  0.9 ! A.975  at 1.28e+07
assign (resid  31 and name HG2# ) (resid  32 and name   HN )  4.0  2.2  1.5 ! A.123  at 3.95e+06
assign (resid  31 and name   HN ) (resid  32 and name   HN )  3.5  1.2  0.5 ! A.956  at 9.16e+06
assign (resid  31 and name   HA ) (resid  32 and name   HN )  4.5  2.2  2.0 ! A.122  at 2.30e+06
assign (resid  31 and name   HA ) (resid  34 and name   HN )  4.0  2.2  1.0 ! A.334  at 4.86e+06
assign (resid  31 and name HG2# ) (resid  35 and name   HN )  4.5  2.2  2.5 ! A.824  at 3.26e+06
assign (resid  31 and name   HN ) (resid  76 and name HD1# )  4.5  2.2  2.5 ! A.970  at 2.09e+06
assign (resid  31 and name   HN ) (resid  76 and name   HG )  4.5  2.2  2.0 ! A.968  at 2.76e+06

! K32
assign (resid  32 and name  HD# ) (resid  32 and name   HN )  3.5  1.2  1.0 ! A.124  at 8.60e+06
assign (resid  32 and name  HG# ) (resid  32 and name   HN )  2.5  0.7  0.9 ! A.129  at 1.02e+07
assign (resid  32 and name  HB# ) (resid  32 and name   HN )  3.5  1.2  1.0 ! A.129  at 8.95e+06
assign (resid  32 and name  HE1 ) (resid  32 and name   HN )  4.5  2.2  2.0 ! A.123  at 6.04e+05
assign (resid  32 and name   HN ) (resid  33 and name  HB2 )  3.5  1.2  0.5 ! A.112  at 8.38e+06
assign (resid  32 and name  HG2 ) (resid  33 and name   HN )  4.5  2.2  2.0 ! A.644  at 2.16e+06
assign (resid  32 and name  HG1 ) (resid  33 and name   HN )  4.5  2.2  2.0 ! A.644  at 1.16e+06
assign (resid  32 and name  HB2 ) (resid  33 and name   HN )  4.0  2.2  1.0 ! A.643  at 5.60e+06
assign (resid  32 and name   HA ) (resid  33 and name   HN )  4.0  2.2  1.0 ! A.636  at 3.96e+06
assign (resid  32 and name  HE# ) (resid  33 and name   HN )  4.0  2.2  1.5 ! A.638  at 4.32e+06
assign (resid  32 and name   HN ) (resid  33 and name   HN )  2.5  0.7  0.4 ! A.634  at 9.87e+06
assign (resid  32 and name   HN ) (resid  76 and name HD1# )  4.5  2.2  2.5 ! A.125  at 1.96e+06

! M33
assign (resid  33 and name  HB2 ) (resid  33 and name   HN )  3.5  1.2  0.5 ! A.642  at 8.71e+06
assign (resid  33 and name  HB1 ) (resid  33 and name   HN )  4.0  2.2  1.0 ! A.637  at 5.56e+06
assign (resid  33 and name  HG1 ) (resid  33 and name   HN )  2.5  0.7  0.4 ! A.640  at 1.41e+07
assign (resid  33 and name  HG1 ) (resid  34 and name   HN )  4.0  2.2  1.0 ! A.326  at 5.16e+06
assign (resid  33 and name   HN ) (resid  34 and name   HN )  4.0  2.2  1.0 ! A.632  at 6.09e+06
assign (resid  33 and name  HB2 ) (resid  34 and name   HN )  2.5  0.7  0.4 ! A.328  at 1.00e+07
assign (resid  33 and name   HA ) (resid  35 and name   HN )  4.5  2.2  2.0 ! A.820  at 2.11e+06
assign (resid  33 and name  HB2 ) (resid  35 and name   HN )  4.0  2.2  1.0 ! A.821  at 4.00e+06
assign (resid  33 and name   HN ) (resid  76 and name HD1# )  4.0  2.2  1.5 ! A.646  at 5.82e+06

! R34
assign (resid  34 and name  HD2 ) (resid  34 and name   HN )  4.5  2.2  2.0 ! A.325  at 1.16e+06
assign (resid  34 and name  HB1 ) (resid  34 and name   HN )  3.5  1.2  0.5 ! A.332  at 8.67e+06
assign (resid  34 and name  HG1 ) (resid  34 and name   HN )  3.5  1.2  0.5 ! A.328  at 9.00e+06
assign (resid  34 and name  HB2 ) (resid  35 and name   HN )  3.5  1.2  0.5 ! A.824  at 9.30e+06
assign (resid  34 and name   HN ) (resid  35 and name   HN )  3.5  1.2  0.5 ! A.815  at 8.78e+06
assign (resid  34 and name   HN ) (resid  35 and name  HB# )  4.5  2.2  2.5 ! A.331  at 3.39e+06
assign (resid  34 and name  HB1 ) (resid  35 and name   HN )  4.0  2.2  1.0 ! A.821  at 5.00e+06
assign (resid  34 and name   HA ) (resid  37 and name   HN )  4.5  2.2  2.0 ! A.461  at 1.01e+06
assign (resid  34 and name  HB2 ) (resid  37 and name   HN )  4.0  2.2  1.0 ! A.463  at 3.54e+06
assign (resid  34 and name   HN ) (resid  72 and name HG2# )  4.0  2.2  1.5 ! A.332  at 4.73e+06
assign (resid  34 and name   HN ) (resid  76 and name HD1# )  3.5  1.2  1.0 ! A.331  at 8.30e+06

! A35
assign (resid  35 and name  HB# ) (resid  35 and name   HN )  2.5  0.7  0.9 ! A.823  at 3.94e+07
assign (resid  35 and name   HN ) (resid  36 and name   HN )  2.5  0.7  0.4 ! A.816  at 1.26e+07
assign (resid  35 and name   HN ) (resid  38 and name HD1# )  4.0  2.2  1.5 ! A.825  at 3.81e+06
assign (resid  35 and name   HA ) (resid  38 and name   HN )  4.5  2.2  2.0 ! A.1004 at 1.95e+06

! A36
assign (resid  36 and name  HB# ) (resid  36 and name   HN )  2.5  0.7  0.9 ! A.397  at 5.06e+07
assign (resid  36 and name   HN ) (resid  37 and name   HN )  2.5  0.7  0.4 ! A.338  at 1.66e+07
assign (resid  36 and name   HA ) (resid  38 and name   HN )  4.5  2.2  2.0 ! A.1004 at 1.95e+06
assign (resid  36 and name   HA ) (resid  39 and name   HN )  3.5  1.2  0.5 ! A.509  at 7.06e+06

! A37
assign (resid  37 and name  HB# ) (resid  37 and name   HN )  2.5  0.7  0.9 ! A.460  at 4.06e+07
assign (resid  37 and name   HN ) (resid  38 and name   HN )  2.5  0.7  0.4 ! A.338  at 2.06e+07
assign (resid  37 and name   HA ) (resid  40 and name   HN )  4.0  2.2  1.0 ! A.38   at 4.52e+06
assign (resid  37 and name   HN ) (resid  40 and name  HB# )  4.5  2.2  2.5 ! A.462  at 1.44e+06
assign (resid  37 and name  HB# ) (resid  41 and name   HN )  4.5  2.2  2.5 ! A.1225 at 1.74e+06

! L38
assign (resid  38 and name  HB2 ) (resid  38 and name   HN )  2.5  0.7  0.4 ! A.1007 at 2.95e+07
assign (resid  38 and name   HG ) (resid  38 and name   HN )  2.5  0.7  0.4 ! A.1008 at 2.00e+07
assign (resid  38 and name HD2# ) (resid  38 and name   HN )  4.5  2.2  2.5 ! A.1010 at 1.39e+06
assign (resid  38 and name HD1# ) (resid  38 and name   HN )  4.5  2.2  2.5 ! A.1010 at 2.39e+06
assign (resid  38 and name   HN ) (resid  39 and name  HB1 )  4.5  2.2  2.0 ! A.1006 at 1.47e+06
assign (resid  38 and name   HA ) (resid  39 and name   HN )  4.5  2.2  2.0 ! A.510  at 2.29e+06
assign (resid  38 and name  HB1 ) (resid  39 and name   HN )  3.5  1.2  0.5 ! A.513  at 9.44e+06
assign (resid  38 and name  HB2 ) (resid  39 and name   HN )  3.5  1.2  0.5 ! A.512  at 8.69e+06
assign (resid  38 and name HD1# ) (resid  39 and name   HN )  4.5  2.2  2.5 ! A.515  at 1.87e+06
assign (resid  38 and name   HN ) (resid  39 and name  HB# )  4.5  2.2  2.5 ! A.1002 at 1.36e+06
assign (resid  38 and name  HB1 ) (resid  40 and name   HN )  4.5  2.2  2.0 ! A.36   at 2.31e+06
assign (resid  38 and name   HA ) (resid  41 and name   HN )  4.5  2.2  2.0 ! A.1215 at 3.37e+06

! D39
assign (resid  39 and name  HB# ) (resid  39 and name   HN )  2.5  0.7  0.9 ! A.511  at 3.28e+07
assign (resid  39 and name  HB1 ) (resid  40 and name   HN )  2.5  0.7  0.4 ! A.34   at 1.87e+07
assign (resid  39 and name   HN ) (resid  40 and name   HN )  2.5  0.7  0.4 ! A.28   at 1.77e+07
assign (resid  39 and name   HN ) (resid  40 and name  HB# )  4.5  2.2  2.5 ! A.516  at 2.91e+06
assign (resid  39 and name   HN ) (resid  41 and name   HN )  4.5  2.2  2.0 ! A.507  at 7.78e+05
assign (resid  39 and name  HB1 ) (resid  41 and name   HN )  4.5  2.2  2.0 ! A.1218 at 1.97e+06
assign (resid  39 and name   HA ) (resid  41 and name   HN )  4.5  2.2  2.0 ! A.1214 at 7.13e+05

! A40
assign (resid  40 and name  HB# ) (resid  40 and name   HN )  2.5  0.7  0.9 ! A.40   at 3.08e+07
assign (resid  40 and name   HN ) (resid  41 and name  HB2 )  4.5  2.2  2.0 ! A.37   at 2.52e+06
assign (resid  40 and name  HB# ) (resid  41 and name   HN )  2.5  0.7  0.9 ! A.1227 at 1.16e+07
assign (resid  40 and name   HN ) (resid  41 and name   HN )  3.5  1.2  0.5 ! A.29   at 9.07e+06
assign (resid  40 and name   HA ) (resid  41 and name   HN )  4.5  2.2  2.0 ! A.1216 at 1.52e+06
assign (resid  40 and name  HB# ) (resid  42 and name   HN )  4.5  2.2  2.5 ! A.1082 at 1.37e+06
assign (resid  40 and name   HA ) (resid  42 and name   HN )  4.5  2.2  2.0 ! A.1072 at 5.39e+05
assign (resid  40 and name   HA ) (resid  43 and name   HN )  4.5  2.2  2.0 ! A.110  at 2.78e+06

! Q41
assign (resid  41 and name  HG1 ) (resid  41 and name   HN )  4.5  2.2  2.0 ! A.1219 at 1.22e+06
assign (resid  41 and name  HB2 ) (resid  41 and name   HN )  2.5  0.7  0.4 ! A.1223 at 1.92e+07
assign (resid  41 and name  HB1 ) (resid  41 and name   HN )  3.0  0.7  0.6 ! A.1221 at 1.48e+07
assign (resid  41 and name   HA ) (resid  41 and name HE21 )  4.5  2.2  2.0 ! A.1247 at 5.87e+05
assign (resid  41 and name  HG2 ) (resid  41 and name HE21 )  4.5  2.2  2.0 ! A.1249 at 7.87e+05
assign (resid  41 and name  HG1 ) (resid  41 and name HE22 )  4.5  2.2  2.0 ! A.1234 at 2.28e+06
assign (resid  41 and name   HA ) (resid  42 and name   HN )  4.5  2.2  2.0 ! A.1073 at 2.31e+06
assign (resid  41 and name HE21 ) (resid  42 and name   HN )  4.5  2.2  2.0 ! A.1068 at 1.14e+06
assign (resid  41 and name HE21 ) (resid  42 and name   HA )  4.5  2.2  2.0 ! A.1246 at 1.33e+06
assign (resid  41 and name   HN ) (resid  42 and name   HN )  4.5  2.2  2.0 ! A.1069 at 2.61e+06
assign (resid  41 and name HE22 ) (resid  42 and name   HN )  4.0  2.2  1.0 ! A.1069 at 4.61e+06
assign (resid  41 and name HE21 ) (resid  42 and name  HE1 )  3.0  0.7  0.6 ! A.1248 at 9.81e+06
assign (resid  41 and name HE21 ) (resid  43 and name   HN )  4.5  2.2  2.0 ! A.106  at 3.14e+06
assign (resid  41 and name  HG2 ) (resid  62 and name   HN )  3.0  1.0  0.7 ! A107   at 1.06e+07 C
assign (resid  41 and name   HN ) (resid  69 and name HG2# )  4.5  2.2  2.5 ! A.1226 at 2.67e+06

! K42
assign (resid  42 and name  HG1 ) (resid  42 and name   HN )  3.5  1.2  0.5 ! A.1081 at 6.75e+06
assign (resid  42 and name  HB2 ) (resid  42 and name   HN )  2.5  0.7  0.4 ! A.1077 at 1.45e+07
assign (resid  42 and name  HB1 ) (resid  42 and name   HN )  3.5  1.2  0.5 ! A.1076 at 9.03e+06
assign (resid  42 and name  HD1 ) (resid  42 and name   HN )  4.0  1.2  1.0 ! A.1079 at 9.40e+06
assign (resid  42 and name  HE1 ) (resid  42 and name   HN )  4.5  2.2  2.0 ! A.1074 at 2.00e+06
assign (resid  42 and name   HN ) (resid  43 and name   HN )  4.0  1.2  1.0 ! A.1067 at 8.84e+06 C

! A43
assign (resid  43 and name  HB# ) (resid  43 and name   HN )  2.5  0.7  0.9 ! A.114  at 3.16e+07
assign (resid  43 and name  HB# ) (resid  44 and name   HN )  2.5  0.7  0.9 ! A.1036 at 2.92e+07
assign (resid  43 and name   HN ) (resid  44 and name   HN )  4.5  2.2  2.0 ! A.1028 at 1.15e+06

! T44
assign (resid  44 and name HG2# ) (resid  44 and name   HN )  4.0  2.2  1.5 ! A.1037 at 6.33e+06
assign (resid  44 and name   HB ) (resid  44 and name   HN )  3.0  0.7  0.5 ! A.1031 at 2.00e+07 C
assign (resid  44 and name   HN ) (resid  47 and name   HN )  2.5  0.7  0.4 ! A.1093 at 9.51e+07
assign (resid  44 and name   HB ) (resid  47 and name   HN )  4.0  2.2  1.0 ! A.1097 at 5.04e+06
assign (resid  44 and name HG2# ) (resid  48 and name   HN )  4.5  2.2  2.5 ! A.905  at 1.02e+06
assign (resid  44 and name   HB ) (resid  48 and name   HN )  4.5  2.2  2.0 ! A.902  at 1.00e+06

! P45
assign (resid  45 and name  HD2 ) (resid  47 and name   HN )  4.5  2.2  2.0 ! A.1097 at 1.04e+06

! P46
assign (resid  46 and name  HB2 ) (resid  47 and name   HN )  3.5  1.2  0.5 ! A.1099 at 7.54e+06
assign (resid  46 and name  HG2 ) (resid  47 and name   HN )  4.0  2.2  1.0 ! A.1098 at 4.03e+06

! K47
assign (resid  47 and name  HG1 ) (resid  47 and name   HN )  2.5  0.7  0.4 ! A.1101 at 1.43e+07
assign (resid  47 and name  HB1 ) (resid  47 and name   HN )  3.5  1.2  0.5 ! A.1099 at 7.54e+06
assign (resid  47 and name  HD1 ) (resid  47 and name   HN )  4.5  2.2  2.0 ! A.1100 at 1.78e+06
assign (resid  47 and name   HN ) (resid  48 and name   HN )  4.0  2.2  1.0 ! A.798  at 3.58e+06
assign (resid  47 and name  HB1 ) (resid  48 and name   HN )  4.5  2.2  2.0 ! A.808  at 1.17e+06
assign (resid  47 and name   HN ) (resid  48 and name HD2# )  4.5  2.2  2.5 ! A.1038 at 9.94e+05

! L48
assign (resid  48 and name HD1# ) (resid  48 and name   HN )  4.5  2.2  2.5 ! A.906  at 2.37e+06
assign (resid  48 and name HD2# ) (resid  48 and name   HN )  4.5  2.2  2.5 ! A.907  at 1.58e+06
assign (resid  48 and name   HG ) (resid  48 and name   HN )  4.5  2.2  2.0 ! A.904  at 1.34e+06
assign (resid  48 and name  HB2 ) (resid  48 and name   HN )  3.5  1.2  0.5 ! A.904  at 8.34e+06

! E49
assign (resid  49 and name  HB# ) (resid  50 and name   HN )  2.5  0.7  0.9 ! A.986  at 1.12e+07
assign (resid  49 and name  HG# ) (resid  50 and name   HN )  4.5  2.2  2.5 ! A.985  at 3.26e+06

! D50
assign (resid  50 and name  HB1 ) (resid  50 and name   HN )  3.0  0.7  0.6 ! A.984  at 1.01e+07
assign (resid  50 and name  HB2 ) (resid  50 and name   HN )  3.5  1.2  0.5 ! A.984  at 8.91e+06
assign (resid  50 and name   HN ) (resid  51 and name   HN )  3.0  0.7  0.6 ! A.982  at 1.43e+07
assign (resid  50 and name   HA ) (resid  51 and name   HN )  3.5  1.2  0.5 ! A.471  at 9.07e+06
assign (resid  50 and name  HB1 ) (resid  51 and name   HN )  4.5  2.2  2.0 ! A.466  at 2.22e+06
assign (resid  50 and name   HN ) (resid  51 and name  HG2 )  4.0  2.2  1.0 ! A.989  at 3.97e+06

! K51
assign (resid  51 and name  HD1 ) (resid  51 and name   HN )  4.5  2.2  2.0 ! A.468  at 1.67e+06
assign (resid  51 and name  HD2 ) (resid  51 and name   HN )  4.5  2.2  2.0 ! A.468  at 1.67e+06
assign (resid  51 and name   HN ) (resid  52 and name   HN )  2.5  1.2  1.0 ! A.398  at 8.80e+06 C
assign (resid  51 and name   HA ) (resid  52 and name   HN )  3.5  1.2  0.5 ! A.865  at 8.58e+06
assign (resid  51 and name  HD1 ) (resid  52 and name   HN )  4.0  2.2  1.0 ! A.869  at 3.51e+06
assign (resid  51 and name  HB2 ) (resid  52 and name   HN )  3.5  1.2  0.5 ! A.868  at 7.15e+06
assign (resid  51 and name  HB1 ) (resid  52 and name   HN )  4.5  2.2  2.0 ! A.868  at 2.15e+06

! S52
assign (resid  52 and name  HB2 ) (resid  52 and name   HN )  2.5  0.7  0.4 ! A.867  at 1.34e+07
assign (resid  52 and name  HB1 ) (resid  52 and name   HN )  3.5  1.2  0.5 ! A.866  at 8.52e+06
assign (resid  52 and name  HB1 ) (resid  54 and name   HN )  4.5  2.2  2.0 ! A.1086 at 2.09e+06

! P53
assign (resid  53 and name  HD1 ) (resid  54 and name   HN )  4.0  2.2  1.0 ! A.1087 at 5.60e+06
assign (resid  53 and name   HA ) (resid  54 and name   HN )  4.5  2.2  2.0 ! A.1085 at 3.40e+06

! D54
assign (resid  54 and name  HB1 ) (resid  54 and name   HN )  4.0  2.2  1.0 ! A.1088 at 5.99e+06
assign (resid  54 and name  HB2 ) (resid  54 and name   HN )  4.0  2.2  1.0 ! A.1089 at 4.13e+06
assign (resid  54 and name   HA ) (resid  55 and name   HN )  3.0  0.9  0.7 ! A.977  at 2.14e+07 C
assign (resid  54 and name   HN ) (resid  55 and name   HN )  2.5  0.7  0.4 ! A.1083 at 1.20e+07

! S55
assign (resid  55 and name  HB1 ) (resid  55 and name   HN )  4.0  2.2  1.0 ! A.979  at 5.13e+06
assign (resid  55 and name  HB2 ) (resid  55 and name   HN )  4.5  2.2  2.0 ! A.979  at 3.13e+06
assign (resid  55 and name   HN ) (resid  56 and name  HG1 )  4.5  2.2  2.0 ! A.895  at 1.89e+06
assign (resid  55 and name   HN ) (resid  56 and name  HG2 )  4.5  2.2  2.0 ! A.895  at 2.89e+06
assign (resid  55 and name   HN ) (resid  56 and name  HD1 )  3.5  1.2  0.5 ! A.980  at 7.89e+06
assign (resid  55 and name   HN ) (resid  57 and name  HB2 )  4.5  2.2  2.0 ! A.981  at 6.38e+05
assign (resid  55 and name   HN ) (resid  58 and name  HB1 )  4.0  2.2  1.0 ! A.894  at 4.84e+06

! P56

! E57
assign (resid  57 and name   HA ) (resid  58 and name   HN )  4.0  2.2  1.0 ! A.530  at 3.65e+06
assign (resid  57 and name  HB1 ) (resid  61 and name   HN )  4.5  2.2  2.0 ! A.232  at 1.25e+06

! M58
assign (resid  58 and name  HG1 ) (resid  58 and name   HN )  4.5  2.2  2.0 ! A.533  at 2.71e+06
assign (resid  58 and name  HB2 ) (resid  58 and name   HN )  2.5  0.7  0.4 ! A.535  at 1.13e+07
assign (resid  58 and name  HB1 ) (resid  58 and name   HN )  2.5  0.7  0.4 ! A.535  at 1.13e+07
assign (resid  58 and name  HB1 ) (resid  59 and name   HN )  4.0  2.2  1.0 ! A.457  at 4.50e+06
assign (resid  58 and name   HA ) (resid  59 and name   HN )  4.5  2.2  2.0 ! A.454  at 1.83e+06
assign (resid  58 and name   HN ) (resid  59 and name   HN )  3.5  1.2  0.5 ! A.504  at 9.48e+06
assign (resid  58 and name  HB2 ) (resid  61 and name   HN )  4.5  2.2  2.0 ! A.233  at 2.48e+06
assign (resid  58 and name  HG2 ) (resid  62 and name   HN )  4.0  1.2  1.0 ! A.922  at 7.32e+06 C

! K59
assign (resid  59 and name  HG1 ) (resid  59 and name   HN )  4.0  2.2  1.0 ! A.460  at 4.96e+06
assign (resid  59 and name  HD2 ) (resid  59 and name   HN )  4.0  2.2  1.0 ! A.459  at 4.72e+06
assign (resid  59 and name  HD1 ) (resid  59 and name   HN )  4.0  2.2  1.0 ! A.459  at 4.72e+06
assign (resid  59 and name  HB1 ) (resid  60 and name   HN )  2.5  0.7  0.4 ! A.266  at 1.04e+07
assign (resid  59 and name  HB2 ) (resid  60 and name   HN )  4.5  2.2  2.0 ! A.266  at 3.34e+06
assign (resid  59 and name   HN ) (resid  60 and name  HB2 )  4.5  2.2  2.0 ! A.456  at 1.20e+06
assign (resid  59 and name  HB1 ) (resid  61 and name   HN )  4.5  2.2  2.0 ! A.234  at 1.57e+06
assign (resid  59 and name   HA ) (resid  62 and name   HN )  4.0  2.2  1.0 ! A.914  at 4.32e+06

! D60
assign (resid  60 and name  HB2 ) (resid  60 and name   HN )  2.5  0.7  0.4 ! A.317  at 1.27e+07
assign (resid  60 and name  HB1 ) (resid  60 and name   HN )  3.0  0.7  0.6 ! A.317  at 1.02e+07
assign (resid  60 and name   HN ) (resid  61 and name   HN )  2.5  0.7  0.4 ! A.311  at 1.36e+08
assign (resid  60 and name   HN ) (resid  61 and name  HB2 )  4.5  2.2  2.0 ! A.318  at 4.49e+05
assign (resid  60 and name  HB1 ) (resid  61 and name   HN )  3.5  1.2  0.5 ! A.229  at 8.15e+06
assign (resid  60 and name   HA ) (resid  61 and name   HN )  3.5  1.2  0.5 ! A.225  at 8.49e+06
assign (resid  60 and name  HB1 ) (resid  63 and name   HN )  4.5  2.2  2.0 ! A.549  at 1.60e+06
assign (resid  60 and name   HA ) (resid  64 and name   HN )  4.5  2.2  2.0 ! A.1369 at 2.93e+06

! F61
assign (resid  61 and name  HB2 ) (resid  61 and name   HN )  2.5  0.7  0.4 ! A.231  at 1.21e+07
assign (resid  61 and name  HB1 ) (resid  61 and name   HN )  2.5  0.7  0.4 ! A.228  at 1.29e+07
assign (resid  61 and name  HD2 ) (resid  61 and name   HN )  4.0  2.2  1.0 ! A.224  at 3.91e+06
assign (resid  61 and name   HN ) (resid  62 and name   HN )  3.5  1.2  0.5 ! A.910  at 7.68e+06
assign (resid  61 and name  HD1 ) (resid  62 and name   HN )  4.0  2.2  1.0 ! A.912  at 3.88e+06
assign (resid  61 and name  HB1 ) (resid  62 and name   HN )  3.5  1.2  0.5 ! A.917  at 9.17e+06
assign (resid  61 and name  HB2 ) (resid  62 and name   HN )  4.0  2.2  1.0 ! A.921  at 4.13e+06
assign (resid  61 and name   HA ) (resid  64 and name   HN )  4.5  2.2  2.0 ! A.1370 at 2.11e+06

! R62
assign (resid  62 and name  HB1 ) (resid  62 and name   HN )  4.0  2.2  1.0 ! A.924  at 5.23e+06
assign (resid  62 and name  HB2 ) (resid  62 and name   HN )  4.0  2.2  1.0 ! A.924  at 6.23e+06
assign (resid  62 and name  HG1 ) (resid  62 and name   HN )  4.5  2.2  2.0 ! A.925  at 1.73e+06
assign (resid  62 and name   HN ) (resid  63 and name   HN )  3.5  1.2  0.5 ! A.487  at 8.72e+06
assign (resid  62 and name  HD1 ) (resid  63 and name   HN )  4.5  2.2  2.0 ! A.549  at 8.60e+05
assign (resid  62 and name   HA ) (resid  63 and name   HN )  4.5  2.2  2.0 ! A.538  at 1.83e+06
assign (resid  62 and name   HN ) (resid  63 and name  HB2 )  4.5  2.2  2.0 ! A.916  at 1.49e+06
assign (resid  62 and name  HB2 ) (resid  64 and name   HN )  4.5  2.2  2.0 ! A.1379 at 1.73e+06
assign (resid  62 and name   HA ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.760  at 1.42e+06
assign (resid  62 and name   HN ) (resid  65 and name  HD1 )  4.5  2.2  2.0 ! A.912  at 1.88e+06

! H63
assign (resid  63 and name  HB2 ) (resid  63 and name   HN )  2.5  0.7  0.4 ! A.539  at 1.97e+07
assign (resid  63 and name  HB1 ) (resid  63 and name   HN )  2.5  0.7  0.4 ! A.539  at 1.27e+07
assign (resid  63 and name  HB1 ) (resid  64 and name   HN )  4.0  2.2  1.0 ! A.1371 at 4.65e+06
assign (resid  63 and name   HN ) (resid  64 and name   HN )  2.5  0.7  0.4 ! A.545  at 1.06e+07
assign (resid  63 and name  HB2 ) (resid  64 and name   HN )  4.0  2.2  1.0 ! A.1372 at 3.63e+06
assign (resid  63 and name   HN ) (resid  64 and name  HA1 )  4.5  2.2  2.0 ! A.548  at 2.18e+06
assign (resid  63 and name   HA ) (resid  64 and name   HN )  4.0  2.2  1.0 ! A.1369 at 3.93e+06
assign (resid  63 and name   HA ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.758  at 4.35e+05
assign (resid  63 and name   HA ) (resid  66 and name   HN )  4.0  2.2  1.0 ! A.241  at 4.95e+06

! G64
assign (resid  64 and name  HA2 ) (resid  65 and name   HN )  4.0  2.2  1.0 ! A.762  at 4.49e+06
assign (resid  64 and name   HN ) (resid  65 and name   HN )  3.5  1.2  0.5 ! A.753  at 7.33e+06
assign (resid  64 and name  HA1 ) (resid  65 and name   HN )  4.0  2.2  1.0 ! A.761  at 4.26e+06
assign (resid  64 and name   HN ) (resid  65 and name  HB1 )  4.5  2.2  2.0 ! A.1376 at 1.01e+06
assign (resid  64 and name   HN ) (resid  65 and name  HB2 )  4.5  2.2  2.0 ! A.1378 at 5.47e+05
assign (resid  64 and name   HN ) (resid  65 and name  HD1 )  4.5  2.2  2.0 ! A.1368 at 1.12e+06
assign (resid  64 and name  HA2 ) (resid  66 and name   HN )  4.5  2.2  2.0 ! A.246  at 6.28e+05
assign (resid  64 and name  HA1 ) (resid  67 and name   HN )  4.5  2.2  2.0 ! A.360  at 3.78e+05
assign (resid  64 and name   HN ) (resid  67 and name HG11 )  4.5  2.2  2.0 ! A.1380 at 3.83e+05
assign (resid  64 and name   HN ) (resid  67 and name HG12 )  4.5  2.2  2.0 ! A.1381 at 1.32e+06

! F65
assign (resid  65 and name  HB2 ) (resid  65 and name   HN )  2.5  0.7  0.4 ! A.765  at 1.27e+07
assign (resid  65 and name  HB1 ) (resid  65 and name   HN )  3.0  0.9  0.7 ! A.763  at 9.79e+06 C
assign (resid  65 and name  HD1 ) (resid  65 and name   HN )  2.5  0.7  0.4 ! A.755  at 1.01e+07
assign (resid  65 and name   HA ) (resid  66 and name   HN )  4.5  2.2  2.0 ! A.243  at 2.39e+06
assign (resid  65 and name   HN ) (resid  66 and name   HN )  2.5  0.7  0.4 ! A.754  at 9.71e+06
assign (resid  65 and name  HB1 ) (resid  66 and name   HN )  2.5  0.7  0.4 ! A.247  at 1.54e+07
assign (resid  65 and name  HD1 ) (resid  66 and name   HN )  4.5  2.2  2.0 ! A.240  at 1.02e+06
assign (resid  65 and name   HN ) (resid  67 and name   HN )  4.5  2.2  2.0 ! A.273  at 1.27e+06
assign (resid  65 and name   HA ) (resid  69 and name   HN )  4.0  2.2  1.0 ! A.494  at 5.95e+06

! D66
assign (resid  66 and name  HB1 ) (resid  66 and name   HN )  3.5  1.2  0.5 ! A.248  at 9.02e+06
assign (resid  66 and name   HN ) (resid  67 and name HG11 )  4.5  2.2  2.0 ! A.252  at 1.67e+06
assign (resid  66 and name   HN ) (resid  67 and name   HN )  4.5  2.2  2.0 ! A.357  at 3.07e+06
assign (resid  66 and name   HN ) (resid  67 and name   HB )  4.5  2.2  2.0 ! A.250  at 2.84e+06
assign (resid  66 and name   HN ) (resid  67 and name   HA )  4.5  2.2  2.0 ! A.244  at 6.97e+05
assign (resid  66 and name   HN ) (resid  67 and name HG12 )  4.5  2.2  2.0 ! A.253  at 2.75e+06
assign (resid  66 and name  HB1 ) (resid  67 and name   HN )  3.5  1.2  0.5 ! A.361  at 6.53e+06
assign (resid  66 and name   HA ) (resid  67 and name   HN )  4.5  2.2  2.0 ! A.274  at 1.43e+06
assign (resid  66 and name   HN ) (resid  68 and name   HN )  4.5  2.2  2.0 ! A.237  at 3.26e+06
assign (resid  66 and name   HN ) (resid  69 and name   HB )  4.5  2.2  2.0 ! A.249  at 1.37e+06
assign (resid  66 and name   HA ) (resid  70 and name   HN )  4.5  2.2  2.0 ! A.1402 at 9.72e+05
assign (resid  66 and name  HB1 ) (resid  70 and name   HN )  4.5  2.2  2.0 ! A.1407 at 8.23e+05

! I67
assign (resid  67 and name   HB ) (resid  67 and name   HN )  2.5  0.7  0.4 ! A.362  at 1.73e+07
assign (resid  67 and name HG11 ) (resid  67 and name   HN )  2.5  0.7  0.4 ! A.364  at 1.28e+07
assign (resid  67 and name HG12 ) (resid  67 and name   HN )  2.5  0.7  0.4 ! A.365  at 1.39e+07
assign (resid  67 and name HG11 ) (resid  68 and name   HN )  4.0  2.2  1.0 ! A.451  at 4.45e+06
assign (resid  67 and name   HA ) (resid  68 and name   HN )  4.5  2.2  2.0 ! A.445  at 1.74e+06
assign (resid  67 and name   HB ) (resid  69 and name   HN )  4.5  2.2  2.0 ! A.522  at 1.84e+06
assign (resid  67 and name   HN ) (resid  70 and name   HN )  4.5  2.2  2.0 ! A.1400 at 2.44e+06
assign (resid  67 and name   HA ) (resid  70 and name   HN )  4.5  2.2  2.0 ! A.1405 at 2.78e+06
assign (resid  67 and name HG2# ) (resid  70 and name   HN )  4.5  2.2  2.5 ! A.1415 at 1.98e+06

! L68
assign (resid  68 and name  HB1 ) (resid  68 and name   HN )  2.5  0.7  0.4 ! A.450  at 1.71e+07
assign (resid  68 and name  HB2 ) (resid  68 and name   HN )  3.5  1.2  0.5 ! A.447  at 8.01e+06
assign (resid  68 and name   HG ) (resid  68 and name   HN )  4.5  2.2  2.0 ! A.447  at 3.41e+06
assign (resid  68 and name HD2# ) (resid  68 and name   HN )  4.5  2.2  2.5 ! A.452  at 2.79e+06
assign (resid  68 and name HD1# ) (resid  68 and name   HN )  4.5  2.2  2.5 ! A.452  at 2.79e+06
assign (resid  68 and name   HN ) (resid  69 and name   HN )  3.5  1.2  0.5 ! A.490  at 6.51e+06
assign (resid  68 and name  HB2 ) (resid  70 and name   HN )  4.5  2.2  2.0 ! A.1414 at 5.22e+05
assign (resid  68 and name  HB1 ) (resid  70 and name   HN )  4.5  2.2  2.0 ! A.1412 at 4.91e+05
assign (resid  68 and name   HA ) (resid  70 and name   HN )  4.5  2.2  2.0 ! A.1403 at 1.08e+06
assign (resid  68 and name  HB2 ) (resid  71 and name   HN )  4.5  2.2  2.0 ! A.353  at 9.07e+05
assign (resid  68 and name   HA ) (resid  72 and name   HN )  4.0  2.2  1.0 ! A.20   at 3.51e+06
assign (resid  68 and name HD2# ) (resid  93 and name HE22 )  4.5  2.2  2.5 ! A.1296 at 2.58e+06
assign (resid  68 and name  HB2 ) (resid  93 and name HE22 )  4.0  2.2  1.0 ! A.1293 at 5.12e+06

! V69
assign (resid  69 and name HG2# ) (resid  69 and name   HN )  2.5  0.7  0.9 ! A.544  at 1.44e+07
assign (resid  69 and name   HB ) (resid  69 and name   HN )  3.0  0.7  0.6 ! A.542  at 2.73e+07
assign (resid  69 and name HG1# ) (resid  69 and name   HN )  2.5  0.7  0.9 ! A.543  at 2.35e+07
assign (resid  69 and name   HN ) (resid  70 and name   HA )  4.5  2.2  2.0 ! A.495  at 9.74e+05
assign (resid  69 and name   HN ) (resid  70 and name   HN )  3.5  1.2  0.5 ! A.490  at 7.51e+06
assign (resid  69 and name   HB ) (resid  70 and name   HN )  3.5  1.2  0.5 ! A.1409 at 9.14e+06
assign (resid  69 and name   HA ) (resid  70 and name   HN )  4.5  2.2  2.0 ! A.1406 at 1.61e+06
assign (resid  69 and name HG1# ) (resid  70 and name   HN )  4.5  2.2  2.5 ! A.1415 at 2.98e+06
assign (resid  69 and name   HN ) (resid  72 and name   HN )  4.5  2.2  2.0 ! A.17   at 1.23e+06
assign (resid  69 and name   HA ) (resid  73 and name   HN )  4.5  2.2  2.0 ! A.206  at 1.41e+06

! G70
assign (resid  70 and name   HN ) (resid  71 and name  HB1 )  4.5  2.2  2.0 ! A.1411 at 7.29e+05
assign (resid  70 and name  HA2 ) (resid  71 and name   HN )  4.5  2.2  2.0 ! A.349  at 3.27e+06
assign (resid  70 and name  HA1 ) (resid  71 and name   HN )  4.0  2.2  1.0 ! A.349  at 5.27e+06
assign (resid  70 and name   HN ) (resid  71 and name  HG1 )  4.5  2.2  2.0 ! A.1408 at 1.02e+06
assign (resid  70 and name  HA2 ) (resid  72 and name   HN )  4.5  2.2  2.0 ! A.21   at 3.80e+05
assign (resid  70 and name  HA2 ) (resid  73 and name   HN )  4.0  2.2  1.0 ! A.205  at 4.20e+06
assign (resid  70 and name  HA2 ) (resid  74 and name   HN )  4.5  2.2  2.0 ! A.167  at 7.33e+05

! Q71
assign (resid  71 and name  HB1 ) (resid  71 and name   HN )  3.0  0.7  0.6 ! A.352  at 1.19e+07 C
assign (resid  71 and name  HG1 ) (resid  71 and name HE22 )  4.0  2.2  1.0 ! A.1353 at 4.83e+06
assign (resid  71 and name  HB1 ) (resid  71 and name HE21 )  4.5  2.2  2.0 ! A.1358 at 1.47e+06
assign (resid  71 and name  HB1 ) (resid  71 and name HE22 )  4.5  2.2  2.0 ! A.1359 at 8.08e+05
assign (resid  71 and name  HG2 ) (resid  71 and name   HN )  4.0  2.2  1.0 ! A.350  at 6.21e+06
assign (resid  71 and name  HG1 ) (resid  71 and name   HN )  2.5  0.7  0.4 ! A.350  at 1.21e+07
assign (resid  71 and name  HG1 ) (resid  71 and name HE21 )  4.0  2.2  1.0 ! A.1352 at 3.88e+06
assign (resid  71 and name  HG2 ) (resid  71 and name HE21 )  4.0  2.2  1.0 ! A.1352 at 3.88e+06
assign (resid  71 and name HE22 ) (resid  72 and name   HN )  4.5  2.2  2.0 ! A.1341 at 5.06e+05
assign (resid  71 and name  HG1 ) (resid  72 and name   HN )  4.0  2.2  1.0 ! A.23   at 5.77e+06
assign (resid  71 and name   HN ) (resid  72 and name   HN )  2.5  0.7  0.4 ! A.346  at 1.06e+07
assign (resid  71 and name   HN ) (resid  72 and name HG11 )  4.0  2.2  1.0 ! A.354  at 4.07e+06
assign (resid  71 and name HE21 ) (resid  74 and name  HB2 )  4.5  2.2  2.0 ! A.1349 at 2.98e+06
assign (resid  71 and name HE21 ) (resid  75 and name  HB# )  4.5  2.2  2.5 ! A.1360 at 2.04e+06
assign (resid  71 and name HE22 ) (resid  75 and name  HB# )  4.5  2.2  2.5 ! A.1361 at 3.97e+05
assign (resid  71 and name HE21 ) (resid  93 and name  HB1 )  4.5  2.2  2.0 ! A.1355 at 1.64e+06
assign (resid  71 and name HE22 ) (resid  94 and name HD1# )  4.5  2.2  2.5 ! A.1363 at 2.27e+06

! I72
assign (resid  72 and name   HB ) (resid  72 and name   HN )  2.5  0.7  0.4 ! A.25   at 2.26e+07
assign (resid  72 and name HG2# ) (resid  72 and name   HN )  4.5  2.2  2.5 ! A.27   at 2.34e+06
assign (resid  72 and name HG11 ) (resid  72 and name   HN )  2.5  0.7  0.4 ! A.27   at 1.03e+07
assign (resid  72 and name   HN ) (resid  73 and name   HN )  4.5  2.2  2.0 ! A.201  at 1.48e+06
assign (resid  72 and name   HA ) (resid  73 and name   HN )  4.5  2.2  2.0 ! A.206  at 2.01e+06
assign (resid  72 and name HG2# ) (resid  73 and name   HN )  4.0  2.2  1.5 ! A.212  at 3.81e+06
assign (resid  72 and name   HB ) (resid  73 and name   HN )  2.5  0.7  0.4 ! A.209  at 1.42e+07
assign (resid  72 and name HG11 ) (resid  73 and name   HN )  4.5  2.2  2.0 ! A.211  at 3.29e+06
assign (resid  72 and name HG2# ) (resid  75 and name   HN )  4.0  2.2  1.5 ! A.83   at 4.60e+06
assign (resid  72 and name   HA ) (resid  75 and name   HN )  4.5  2.2  2.0 ! A.76   at 3.50e+06
assign (resid  72 and name   HA ) (resid  76 and name   HN )  4.5  2.2  2.0 ! A.303  at 6.18e+05
assign (resid  72 and name HG2# ) (resid  76 and name   HN )  3.5  1.2  1.0 ! A.310  at 6.87e+06

! D73
assign (resid  73 and name  HB2 ) (resid  73 and name   HN )  3.5  1.2  0.5 ! A.207  at 6.79e+06
assign (resid  73 and name  HB1 ) (resid  73 and name   HN )  3.5  1.2  0.5 ! A.207  at 8.79e+06
assign (resid  73 and name   HN ) (resid  74 and name  HB2 )  4.0  2.2  1.0 ! A.208  at 6.26e+06
assign (resid  73 and name   HN ) (resid  74 and name   HN )  3.5  1.2  0.5 ! A.161  at 9.13e+06
assign (resid  73 and name   HN ) (resid  75 and name   HN )  4.5  2.2  2.0 ! A.203  at 2.63e+06
assign (resid  73 and name   HA ) (resid  76 and name   HN )  4.0  2.2  1.0 ! A.299  at 5.59e+06
assign (resid  73 and name   HN ) (resid  76 and name HD1# )  4.5  2.2  2.5 ! A.211  at 2.29e+06
assign (resid  73 and name   HN ) (resid  76 and name   HN )  4.5  2.2  2.0 ! A.296  at 2.26e+06

! D74
assign (resid  74 and name  HB2 ) (resid  74 and name   HN )  2.5  0.7  0.4 ! A.171  at 1.45e+07
assign (resid  74 and name  HB1 ) (resid  74 and name   HN )  2.5  0.7  0.4 ! A.169  at 2.49e+07
assign (resid  74 and name  HB2 ) (resid  75 and name   HN )  4.0  2.2  1.0 ! A.78   at 6.50e+06
assign (resid  74 and name   HN ) (resid  75 and name   HN )  2.5  0.7  0.4 ! A.162  at 1.93e+07
assign (resid  74 and name   HA ) (resid  75 and name   HN )  4.5  2.2  2.0 ! A.73   at 3.48e+06

! A75
assign (resid  75 and name  HB# ) (resid  75 and name   HN )  2.5  0.7  0.9 ! A.81   at 3.54e+07
assign (resid  75 and name   HN ) (resid  76 and name   HN )  2.5  0.7  0.4 ! A.298  at 1.45e+07
assign (resid  75 and name   HN ) (resid  76 and name  HB1 )  4.0  2.2  1.0 ! A.79   at 4.40e+06
assign (resid  75 and name   HA ) (resid  76 and name   HN )  4.0  2.2  1.0 ! A.301  at 4.02e+06
assign (resid  75 and name   HA ) (resid  79 and name   HN )  4.0  2.2  1.0 ! A.259  at 4.02e+06

! L76
assign (resid  76 and name  HB1 ) (resid  76 and name   HN )  2.5  0.7  0.4 ! A.306  at 2.07e+07
assign (resid  76 and name HD1# ) (resid  76 and name   HN )  3.5  0.7  0.9 ! A.309  at 1.23e+07
assign (resid  76 and name  HB2 ) (resid  76 and name   HN )  2.5  0.7  0.4 ! A.307  at 1.87e+07
assign (resid  76 and name   HN ) (resid  77 and name   HN )  2.5  0.7  0.4 ! A.298  at 1.05e+07
assign (resid  76 and name  HB2 ) (resid  77 and name   HN )  3.5  1.2  0.5 ! A.469  at 7.90e+06
assign (resid  76 and name HD2# ) (resid  77 and name   HN )  4.5  2.2  2.5 ! A.413  at 1.77e+06
assign (resid  76 and name   HN ) (resid  78 and name   HN )  4.5  2.2  2.0 ! A.871  at 7.10e+05
assign (resid  76 and name   HA ) (resid  79 and name   HN )  4.0  2.2  1.0 ! A.260  at 4.26e+06
assign (resid  76 and name   HA ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.666  at 1.71e+06

! K77
assign (resid  77 and name  HG1 ) (resid  77 and name   HN )  3.5  1.2  0.5 ! A.469  at 7.60e+06
assign (resid  77 and name  HB1 ) (resid  77 and name   HN )  2.5  0.7  0.4 ! A.467  at 5.04e+07
assign (resid  77 and name   HN ) (resid  78 and name   HN )  2.5  0.7  0.4 ! A.874  at 1.07e+07
assign (resid  77 and name  HB1 ) (resid  78 and name   HN )  2.5  0.7  0.4 ! A.876  at 1.66e+07
assign (resid  77 and name   HN ) (resid  79 and name  HB# )  4.5  2.2  2.5 ! A.470  at 1.51e+06
assign (resid  77 and name   HN ) (resid  79 and name   HN )  4.5  2.2  2.0 ! A.256  at 2.14e+06
assign (resid  77 and name   HA ) (resid  79 and name   HN )  4.5  2.2  2.0 ! A.259  at 3.02e+06
assign (resid  77 and name  HB1 ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.672  at 1.00e+06
assign (resid  77 and name  HG1 ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.674  at 1.06e+06
assign (resid  77 and name   HA ) (resid  80 and name   HN )  4.0  2.2  1.0 ! A.665  at 4.45e+06
assign (resid  77 and name  HG1 ) (resid  81 and name   HN )  4.5  2.2  2.0 ! A.842  at 1.12e+06

! L78
assign (resid  78 and name  HB1 ) (resid  78 and name   HN )  2.5  0.7  0.4 ! A.877  at 1.78e+07
assign (resid  78 and name  HB2 ) (resid  78 and name   HN )  2.5  0.7  0.4 ! A.880  at 1.09e+07
assign (resid  78 and name HD2# ) (resid  78 and name   HN )  4.5  2.2  2.5 ! A.881  at 1.07e+06
assign (resid  78 and name HD1# ) (resid  78 and name   HN )  2.5  0.7  0.9 ! A.881  at 1.07e+07
assign (resid  78 and name   HN ) (resid  79 and name   HN )  2.5  0.7  0.4 ! A.873  at 9.51e+06
assign (resid  78 and name HD1# ) (resid  79 and name   HN )  4.5  2.2  2.5 ! A.271  at 1.22e+06
assign (resid  78 and name   HN ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.872  at 7.28e+05
assign (resid  78 and name  HG2 ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.674  at 1.72e+06
assign (resid  78 and name   HA ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.665  at 2.45e+06
assign (resid  78 and name HD1# ) (resid  81 and name   HN )  4.5  2.2  2.5 ! A.844  at 1.53e+06
assign (resid  78 and name   HA ) (resid  81 and name   HN )  4.0  2.2  1.0 ! A.831  at 4.05e+06
assign (resid  78 and name  HB1 ) (resid  82 and name   HN )  4.5  2.2  2.0 ! A.1394 at 1.21e+06
assign (resid  78 and name   HA ) (resid  83 and name   HN )  4.5  2.2  2.0 ! A.45   at 1.40e+06
assign (resid  78 and name  HB1 ) (resid  83 and name   HN )  3.5  1.2  0.5 ! A.51   at 7.22e+06
assign (resid  78 and name   HG ) (resid  87 and name   HN )  4.5  2.2  2.0 ! A.12   at 6.03e+05
assign (resid  78 and name HD2# ) (resid  87 and name   HN )  3.5  1.2  1.0 ! A.15   at 8.29e+06
assign (resid  78 and name  HB1 ) (resid  87 and name   HN )  4.5  2.2  2.0 ! A.11   at 3.14e+06

! A79
assign (resid  79 and name  HB# ) (resid  79 and name   HN )  2.5  0.7  0.9 ! A.269  at 2.82e+07
assign (resid  79 and name   HN ) (resid  80 and name   HN )  2.5  0.7  0.4 ! A.659  at 1.05e+07
assign (resid  79 and name  HB# ) (resid  80 and name HD21 )  4.5  2.2  2.5 ! A.1340 at 1.31e+06
assign (resid  79 and name   HA ) (resid  80 and name   HN )  4.0  2.2  1.0 ! A.667  at 3.66e+06
assign (resid  79 and name  HB# ) (resid  80 and name   HN )  2.5  0.7  0.9 ! A.675  at 1.68e+07
assign (resid  79 and name   HN ) (resid  81 and name   HN )  4.5  2.2  2.0 ! A.257  at 6.53e+05
assign (resid  79 and name   HA ) (resid  81 and name   HN )  4.5  2.2  2.0 ! A.833  at 9.23e+05
assign (resid  79 and name  HB# ) (resid  81 and name   HN )  4.5  2.2  2.5 ! A.843  at 1.18e+06
assign (resid  79 and name   HA ) (resid  83 and name   HN )  4.0  2.2  1.0 ! A.46   at 4.57e+06
assign (resid  79 and name   HN ) (resid  83 and name  HB2 )  2.5  0.7  0.4 ! A.265  at 9.83e+06

! N80
assign (resid  80 and name  HB2 ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.670  at 9.06e+05
assign (resid  80 and name HD22 ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.663  at 9.03e+05
assign (resid  80 and name  HB1 ) (resid  80 and name   HN )  3.5  1.2  0.5 ! A.669  at 9.16e+06
assign (resid  80 and name   HN ) (resid  80 and name HD21 )  4.5  2.2  2.0 ! A.1326 at 6.92e+05
assign (resid  80 and name  HB2 ) (resid  80 and name HD21 )  3.5  1.2  0.5 ! A.1336 at 8.82e+06
assign (resid  80 and name  HB1 ) (resid  80 and name HD21 )  4.0  2.2  1.0 ! A.1335 at 4.65e+06
assign (resid  80 and name   HA ) (resid  80 and name HD21 )  4.5  2.2  2.0 ! A.1332 at 5.34e+05
assign (resid  80 and name   HN ) (resid  81 and name   HN )  2.5  0.7  0.4 ! A.826  at 1.14e+07
assign (resid  80 and name  HB1 ) (resid  81 and name   HN )  4.5  2.2  2.0 ! A.836  at 3.04e+06
assign (resid  80 and name  HB2 ) (resid  81 and name   HN )  3.5  1.2  0.5 ! A.837  at 7.86e+06
assign (resid  80 and name   HN ) (resid  81 and name  HB2 )  4.5  2.2  2.0 ! A.671  at 1.47e+06
assign (resid  80 and name HD21 ) (resid  82 and name   HN )  4.5  2.2  2.0 ! A.1328 at 6.99e+05
assign (resid  80 and name   HN ) (resid  82 and name   HN )  4.5  2.2  2.0 ! A.660  at 1.48e+06

! E81
assign (resid  81 and name  HB2 ) (resid  81 and name   HN )  2.5  0.7  0.4 ! A.839  at 1.08e+07
assign (resid  81 and name  HB1 ) (resid  81 and name   HN )  3.5  1.2  0.5 ! A.839  at 6.78e+06
assign (resid  81 and name  HG1 ) (resid  81 and name   HN )  4.5  2.2  2.0 ! A.838  at 1.96e+06
assign (resid  81 and name  HG2 ) (resid  81 and name   HN )  4.5  2.2  2.0 ! A.838  at 2.96e+06
assign (resid  81 and name   HN ) (resid  82 and name   HN )  2.5  0.7  0.4 ! A.827  at 1.36e+07
assign (resid  81 and name  HB1 ) (resid  82 and name   HN )  4.0  2.2  1.0 ! A.1392 at 3.54e+06
assign (resid  81 and name   HN ) (resid  83 and name  HE1 )  4.5  2.2  2.0 ! A.835  at 2.43e+06
assign (resid  81 and name   HN ) (resid  83 and name  HG2 )  4.5  2.2  2.0 ! A.843  at 2.18e+06

! G82
assign (resid  82 and name   HN ) (resid  83 and name   HN )  2.5  0.7  0.4 ! A.1383 at 9.31e+07
assign (resid  82 and name  HA1 ) (resid  83 and name   HN )  4.5  2.2  2.0 ! A.44   at 3.07e+06
assign (resid  82 and name  HA2 ) (resid  83 and name   HN )  4.0  2.2  1.0 ! A.47   at 3.99e+06
assign (resid  82 and name   HN ) (resid  83 and name  HB2 )  4.5  2.2  2.0 ! A.1393 at 6.37e+05
assign (resid  82 and name   HN ) (resid  83 and name  HG2 )  4.0  2.2  1.0 ! A.1396 at 3.56e+06
assign (resid  82 and name   HN ) (resid  83 and name  HE1 )  4.5  2.2  2.0 ! A.1390 at 5.95e+05
assign (resid  82 and name  HA2 ) (resid  84 and name   HN )  4.5  2.2  2.0 ! A.185  at 2.19e+06

! K83
assign (resid  83 and name  HG1 ) (resid  83 and name   HN )  4.0  2.2  1.0 ! A.52   at 3.85e+06
assign (resid  83 and name  HB2 ) (resid  83 and name   HN )  3.5  1.2  0.5 ! A.50   at 8.77e+06
assign (resid  83 and name  HG2 ) (resid  83 and name   HN )  2.5  0.7  0.4 ! A.53   at 1.01e+07
assign (resid  83 and name   HN ) (resid  84 and name HG2# )  4.0  2.2  1.5 ! A.54   at 3.69e+06
assign (resid  83 and name   HA ) (resid  84 and name   HN )  2.5  0.7  0.4 ! A.183  at 3.00e+07
assign (resid  83 and name   HN ) (resid  84 and name   HN )  4.0  2.2  1.0 ! A.42   at 4.04e+06
assign (resid  83 and name  HG2 ) (resid  84 and name   HN )  4.0  2.2  1.0 ! A.191  at 4.29e+06
assign (resid  83 and name  HG1 ) (resid  86 and name   HN )  4.5  2.2  2.0 ! A.294  at 1.17e+06
assign (resid  83 and name   HA ) (resid  86 and name   HN )  4.5  2.2  2.0 ! A.285  at 1.00e+06

! V84
assign (resid  84 and name   HB ) (resid  84 and name   HN )  2.5  0.7  0.4 ! A.188  at 2.83e+07
assign (resid  84 and name HG2# ) (resid  84 and name   HN )  2.5  0.7  0.9 ! A.192  at 1.93e+07
assign (resid  84 and name HG1# ) (resid  84 and name   HN )  4.0  2.2  1.5 ! A.192  at 3.93e+06
assign (resid  84 and name   HN ) (resid  85 and name   HN )  2.5  0.7  0.4 ! A.182  at 1.52e+07
assign (resid  84 and name   HA ) (resid  85 and name   HN )  4.5  2.2  2.0 ! A.479  at 3.34e+06
assign (resid  84 and name   HN ) (resid  85 and name  HB2 )  4.5  2.2  2.0 ! A.189  at 2.96e+06
assign (resid  84 and name HG2# ) (resid  85 and name   HN )  4.0  2.2  1.5 ! A.485  at 4.25e+06
assign (resid  84 and name HG1# ) (resid  85 and name   HN )  4.0  2.2  1.5 ! A.485  at 5.25e+06
assign (resid  84 and name   HB ) (resid  85 and name   HN )  2.5  0.7  0.4 ! A.482  at 1.89e+07
assign (resid  84 and name   HN ) (resid  86 and name   HN )  4.5  2.2  2.0 ! A.181  at 6.69e+05
assign (resid  84 and name HG2# ) (resid  86 and name   HN )  4.0  2.2  1.5 ! A.295  at 4.68e+06
assign (resid  84 and name   HA ) (resid  87 and name   HN )  4.0  2.2  1.0 ! A.7    at 4.19e+06

! K85
assign (resid  85 and name  HG1 ) (resid  85 and name   HN )  2.5  0.7  0.4 ! A.484  at 1.44e+07
assign (resid  85 and name  HB1 ) (resid  85 and name   HN )  2.5  0.7  0.4 ! A.483  at 2.64e+07
assign (resid  85 and name   HA ) (resid  86 and name   HN )  4.5  2.2  2.0 ! A.286  at 3.25e+06
assign (resid  85 and name   HN ) (resid  86 and name   HN )  2.5  0.7  0.4 ! A.283  at 1.03e+07
assign (resid  85 and name  HB2 ) (resid  86 and name   HN )  2.5  0.7  0.4 ! A.292  at 1.81e+07
assign (resid  85 and name  HG1 ) (resid  86 and name   HN )  4.5  2.2  2.0 ! A.293  at 2.79e+06
assign (resid  85 and name   HN ) (resid  86 and name  HB2 )  3.5  1.2  0.5 ! A.482  at 7.79e+06
assign (resid  85 and name   HA ) (resid  90 and name   HN )  4.5  2.2  2.0 ! A.196  at 5.10e+05

! E86
assign (resid  86 and name  HG1 ) (resid  86 and name   HN )  4.0  2.2  1.0 ! A.289  at 5.93e+06
assign (resid  86 and name  HG2 ) (resid  86 and name   HN )  3.5  1.2  0.5 ! A.290  at 8.39e+06
assign (resid  86 and name  HB2 ) (resid  86 and name   HN )  2.5  0.7  0.4 ! A.291  at 1.27e+07
assign (resid  86 and name  HB1 ) (resid  86 and name   HN )  3.5  1.2  0.5 ! A.291  at 6.57e+06
assign (resid  86 and name  HG2 ) (resid  87 and name   HN )  4.5  2.2  2.0 ! A.9    at 8.25e+05
assign (resid  86 and name   HN ) (resid  87 and name   HN )  2.5  0.7  0.4 ! A.283  at 1.23e+07
assign (resid  86 and name  HG1 ) (resid  87 and name   HN )  4.5  2.2  2.0 ! A.8    at 2.73e+06
assign (resid  86 and name  HB1 ) (resid  87 and name   HN )  2.5  0.7  0.4 ! A.10   at 1.57e+07
assign (resid  86 and name   HN ) (resid  87 and name  HB# )  4.5  2.2  2.5 ! A.293  at 1.79e+06
assign (resid  86 and name   HA ) (resid  88 and name   HN )  4.5  2.2  2.0 ! A.933  at 1.73e+06
assign (resid  86 and name   HA ) (resid  89 and name   HN )  3.5  1.2  0.5 ! A.31   at 6.59e+06
assign (resid  86 and name   HA ) (resid  90 and name   HN )  3.5  1.2  0.5 ! A.166  at 7.87e+06

! A87
assign (resid  87 and name  HB# ) (resid  87 and name   HN )  2.5  0.7  0.9 ! A.14   at 3.81e+07
assign (resid  87 and name   HN ) (resid  88 and name   HN )  2.5  0.7  0.4 ! A.927  at 1.16e+07
assign (resid  87 and name   HA ) (resid  88 and name   HN )  4.5  2.2  2.0 ! A.933  at 2.73e+06
assign (resid  87 and name  HB# ) (resid  88 and name   HN )  2.5  0.7  0.9 ! A.941  at 1.52e+07
assign (resid  87 and name   HN ) (resid  89 and name   HN )  4.5  2.2  2.0 ! A.4    at 1.97e+06
assign (resid  87 and name   HA ) (resid  89 and name   HN )  4.5  2.2  2.0 ! A.31   at 2.39e+06

! Q88
assign (resid  88 and name  HB2 ) (resid  88 and name   HN )  2.5  0.7  0.4 ! A.939  at 1.07e+07
assign (resid  88 and name  HG1 ) (resid  88 and name   HN )  2.5  0.7  0.4 ! A.936  at 2.42e+07
assign (resid  88 and name HE21 ) (resid  88 and name   HN )  4.5  2.2  2.0 ! A.929  at 7.51e+05
assign (resid  88 and name   HA ) (resid  88 and name HE22 )  4.5  2.2  2.0 ! A.1131 at 2.65e+06
assign (resid  88 and name  HG1 ) (resid  88 and name HE22 )  3.5  1.2  0.5 ! A.1134 at 7.93e+06
assign (resid  88 and name  HG1 ) (resid  88 and name HE21 )  4.0  2.2  1.0 ! A.1089 at 5.13e+06
assign (resid  88 and name  HB2 ) (resid  88 and name HE21 )  3.5  1.2  0.5 ! A.1136 at 6.52e+06
assign (resid  88 and name  HB1 ) (resid  88 and name HE21 )  3.5  1.2  0.5 ! A.1136 at 6.52e+06
assign (resid  88 and name  HG2 ) (resid  88 and name HE22 )  4.5  2.2  2.0 ! A.1137 at 2.64e+06
assign (resid  88 and name  HG2 ) (resid  89 and name   HN )  4.5  2.2  2.0 ! A.88   at 2.66e+06
assign (resid  88 and name HE21 ) (resid  89 and name   HN )  4.5  2.2  2.0 ! A.86   at 3.12e+06
assign (resid  88 and name   HA ) (resid  89 and name   HN )  4.0  2.2  1.0 ! A.32   at 4.95e+06
assign (resid  88 and name  HB# ) (resid  89 and name   HN )  3.5  1.2  1.0 ! A.35   at 6.68e+06
assign (resid  88 and name   HN ) (resid  89 and name   HN )  2.5  0.7  0.4 ! A.928  at 1.09e+07
assign (resid  88 and name  HG2 ) (resid  90 and name   HN )  4.5  2.2  2.0 ! A.198  at 1.09e+06
assign (resid  88 and name  HB1 ) (resid  90 and name   HN )  4.5  2.2  2.0 ! A.173  at 1.30e+06
assign (resid  88 and name   HA ) (resid  91 and name   HN )  4.0  2.2  1.0 ! A.335  at 3.70e+06
assign (resid  88 and name  HG2 ) (resid  91 and name   HN )  4.5  2.2  2.0 ! A.264  at 3.03e+06
assign (resid  88 and name  HG1 ) (resid  91 and name   HN )  4.5  2.2  2.0 ! A.263  at 1.37e+06

! A89
assign (resid  89 and name  HB# ) (resid  89 and name   HN )  2.5  0.7  0.9 ! A.90   at 4.78e+07
assign (resid  89 and name   HA ) (resid  91 and name   HN )  4.5  2.2  2.0 ! A.315  at 3.19e+06

! A90
assign (resid  90 and name  HB# ) (resid  90 and name   HN )  2.5  0.7  0.9 ! A.200  at 6.86e+07
assign (resid  90 and name   HN ) (resid  91 and name   HN )  2.5  0.7  0.4 ! A.312  at 1.58e+07
assign (resid  90 and name   HA ) (resid  91 and name   HN )  4.5  2.2  2.0 ! A.315  at 3.19e+06
assign (resid  90 and name   HN ) (resid  92 and name   HN )  4.5  2.2  2.0 ! A.195  at 2.17e+06
assign (resid  90 and name  HB# ) (resid  92 and name   HN )  4.5  2.2  2.5 ! A.809  at 1.47e+06
assign (resid  90 and name   HA ) (resid  92 and name   HN )  4.5  2.2  2.0 ! A.802  at 3.73e+05
assign (resid  90 and name  HB# ) (resid  93 and name   HN )  4.0  2.2  1.5 ! A.707  at 4.11e+06

! A91
assign (resid  91 and name  HB# ) (resid  91 and name   HN )  2.5  0.7  0.9 ! A.336  at 5.21e+07
assign (resid  91 and name   HN ) (resid  92 and name   HN )  2.5  0.7  0.4 ! A.313  at 1.16e+07
assign (resid  91 and name  HB# ) (resid  92 and name   HN )  3.5  1.2  1.0 ! A.809  at 9.47e+06
assign (resid  91 and name   HA ) (resid  93 and name   HN )  4.5  2.2  2.0 ! A.699  at 2.32e+06

! E92
assign (resid  92 and name  HG1 ) (resid  92 and name   HN )  2.5  0.7  0.4 ! A.805  at 1.04e+07
assign (resid  92 and name  HB1 ) (resid  92 and name   HN )  4.5  2.2  2.0 ! A.807  at 8.42e+05
assign (resid  92 and name  HB# ) (resid  92 and name   HN )  2.5  0.7  0.9 ! A.806  at 3.13e+07
assign (resid  92 and name   HN ) (resid  93 and name   HN )  2.5  0.7  0.4 ! A.845  at 1.52e+07
assign (resid  92 and name   HA ) (resid  93 and name   HN )  4.5  2.2  2.0 ! A.699  at 3.32e+06
assign (resid  92 and name   HN ) (resid  94 and name HD2# )  4.5  2.2  2.5 ! A.802  at 1.56e+06
assign (resid  92 and name   HA ) (resid  95 and name   HN )  4.0  2.2  1.0 ! A.561  at 4.07e+06
assign (resid  92 and name   HN ) (resid  96 and name   HN )  4.5  2.2  2.0 ! A.800  at 1.46e+06
assign (resid  92 and name   HA ) (resid  96 and name   HN )  4.5  2.2  2.0 ! A.1059 at 1.84e+06

! Q93
assign (resid  93 and name  HB1 ) (resid  93 and name   HN )  2.5  0.7  0.4 ! A.850  at 4.37e+07
assign (resid  93 and name  HG1 ) (resid  93 and name   HN )  3.5  1.2  0.5 ! A.849  at 8.61e+06
assign (resid  93 and name HE21 ) (resid  93 and name   HN )  3.5  1.2  0.5 ! A.845  at 7.73e+06
assign (resid  93 and name  HB1 ) (resid  93 and name HE22 )  4.0  2.2  1.0 ! A.1289 at 4.78e+06
assign (resid  93 and name  HG1 ) (resid  93 and name HE22 )  4.0  2.2  1.0 ! A.1285 at 4.17e+06
assign (resid  93 and name  HB2 ) (resid  93 and name HE21 )  4.5  2.2  2.0 ! A.1290 at 2.09e+06
assign (resid  93 and name  HB1 ) (resid  93 and name HE21 )  3.5  1.2  0.5 ! A.1288 at 7.28e+06
assign (resid  93 and name  HB2 ) (resid  93 and name HE22 )  4.5  2.2  2.0 ! A.1291 at 1.71e+06
assign (resid  93 and name  HB2 ) (resid  94 and name   HN )  3.5  1.2  0.5 ! A.628  at 8.65e+06
assign (resid  93 and name   HN ) (resid  94 and name HD1# )  4.5  2.2  2.5 ! A.852  at 2.15e+06
assign (resid  93 and name HE21 ) (resid  94 and name   HA )  4.5  2.2  2.0 ! A.1280 at 2.08e+06
assign (resid  93 and name   HN ) (resid  94 and name   HN )  2.5  0.7  0.4 ! A.626  at 1.04e+07
assign (resid  93 and name HE22 ) (resid  94 and name HD1# )  4.5  2.2  2.5 ! A.1295 at 3.09e+06
assign (resid  93 and name HE21 ) (resid  94 and name HD1# )  4.5  2.2  2.5 ! A.1294 at 3.14e+06
assign (resid  93 and name   HN ) (resid  95 and name  HB2 )  4.5  2.2  2.0 ! A.851  at 2.45e+06
assign (resid  93 and name   HN ) (resid  95 and name   HN )  4.5  2.2  2.0 ! A.556  at 1.11e+06
assign (resid  93 and name HE21 ) (resid  96 and name   HN )  4.5  2.2  2.0 ! A.1274 at 2.18e+06
assign (resid  93 and name HE21 ) (resid  97 and name HG2# )  4.0  2.2  1.5 ! A.1292 at 4.64e+06
assign (resid  93 and name HE22 ) (resid  98 and name   HN )  4.5  2.2  2.0 ! A.1270 at 5.40e+05
assign (resid  93 and name HE22 ) (resid 101 and name  HE1 )  4.5  2.2  2.0 ! A.1276 at 8.38e+05

! L94
assign (resid  94 and name  HB2 ) (resid  94 and name   HN )  4.5  2.2  2.0 ! A.629  at 2.99e+06
assign (resid  94 and name   HG ) (resid  94 and name   HN )  4.0  2.2  1.0 ! A.628  at 4.66e+06
assign (resid  94 and name  HB1 ) (resid  94 and name   HN )  4.0  2.2  1.0 ! A.535  at 5.13e+06
assign (resid  94 and name HD1# ) (resid  94 and name   HN )  3.5  1.2  1.0 ! A.631  at 8.82e+06
assign (resid  94 and name   HN ) (resid  95 and name   HN )  2.5  0.7  0.4 ! A.554  at 1.22e+07
assign (resid  94 and name HD2# ) (resid  95 and name   HN )  4.5  2.2  2.5 ! A.658  at 1.12e+06
assign (resid  94 and name HD1# ) (resid  95 and name   HN )  4.5  2.2  2.5 ! A.658  at 1.12e+06
assign (resid  94 and name  HB1 ) (resid  95 and name   HN )  2.5  0.7  0.4 ! A.659  at 2.27e+07
assign (resid  94 and name   HA ) (resid  95 and name   HN )  4.5  2.2  2.0 ! A.561  at 3.07e+06

! K95
assign (resid  95 and name  HD1 ) (resid  95 and name   HN )  4.5  2.2  2.0 ! A.656  at 2.18e+06
assign (resid  95 and name  HG2 ) (resid  95 and name   HN )  4.0  2.2  1.0 ! A.657  at 4.30e+06
assign (resid  95 and name  HB2 ) (resid  95 and name   HN )  2.5  0.7  0.4 ! A.655  at 1.09e+07
assign (resid  95 and name  HB1 ) (resid  95 and name   HN )  3.5  1.2  0.5 ! A.655  at 9.09e+06
assign (resid  95 and name  HB1 ) (resid  96 and name   HN )  4.0  2.2  1.0 ! A.1063 at 5.15e+06
assign (resid  95 and name   HN ) (resid  96 and name   HN )  4.0  2.2  1.0 ! A.652  at 6.20e+06
assign (resid  95 and name  HB2 ) (resid  96 and name   HN )  4.0  2.2  1.0 ! A.1063 at 6.15e+06
assign (resid  95 and name  HG2 ) (resid  96 and name   HN )  4.5  2.2  2.0 ! A.1065 at 2.56e+06

! T96
assign (resid  96 and name   HB ) (resid  96 and name   HN )  2.5  0.7  0.4 ! A.1058 at 2.13e+07
assign (resid  96 and name HG2# ) (resid  96 and name   HN )  4.0  2.2  1.5 ! A.1066 at 3.84e+06
assign (resid  96 and name   HN ) (resid  97 and name   HN )  3.5  1.2  0.5 ! A.1056 at 7.89e+06
assign (resid  96 and name HG2# ) (resid  99 and name   HN )  4.5  2.2  2.5 ! A.693  at 2.61e+06
assign (resid  96 and name   HA ) (resid 100 and name   HN )  4.5  2.2  2.0 ! A.405  at 3.50e+06

! T97
assign (resid  97 and name HG2# ) (resid  97 and name   HN )  4.5  2.2  2.5 ! A.447  at 2.41e+06
assign (resid  97 and name   HN ) (resid  98 and name   HN )  3.5  1.2  0.5 ! A.441  at 8.13e+06
assign (resid  97 and name   HB ) (resid  98 and name   HN )  3.5  1.2  0.5 ! A.339  at 7.66e+06
assign (resid  97 and name   HA ) (resid 100 and name   HN )  4.0  2.2  1.0 ! A.405  at 5.10e+06

! I98
assign (resid  98 and name HG11 ) (resid  98 and name   HN )  2.5  0.7  0.4 ! A.345  at 1.26e+07
assign (resid  98 and name   HB ) (resid  98 and name   HN )  2.5  0.7  0.4 ! A.343  at 2.96e+07
assign (resid  98 and name HG2# ) (resid  98 and name   HN )  4.0  2.2  1.5 ! A.345  at 4.86e+06
assign (resid  98 and name   HN ) (resid  99 and name   HN )  3.5  1.2  0.5 ! A.678  at 7.46e+06
assign (resid  98 and name   HA ) (resid  99 and name   HN )  4.5  2.2  2.0 ! A.686  at 2.01e+06
assign (resid  98 and name HG2# ) (resid  99 and name   HN )  4.0  2.2  1.5 ! A.692  at 4.06e+06
assign (resid  98 and name HG11 ) (resid 101 and name   HN )  4.5  2.2  2.0 ! A.412  at 1.43e+06
assign (resid  98 and name   HB ) (resid 100 and name   HN )  4.5  2.2  2.0 ! A.407  at 2.04e+06
assign (resid  98 and name HG2# ) (resid 103 and name   HN )  4.5  2.2  2.5 ! A.732  at 2.78e+06
assign (resid  98 and name HG2# ) (resid 103 and name HE21 )  4.5  2.2  2.5 ! A.1242 at 2.34e+06
assign (resid  98 and name HG2# ) (resid 103 and name HE22 )  4.5  2.2  2.5 ! A.1243 at 1.71e+06

! R99
assign (resid  99 and name  HG1 ) (resid  99 and name   HN )  3.5  1.2  0.5 ! A.691  at 8.75e+06
assign (resid  99 and name  HB2 ) (resid  99 and name   HN )  2.5  0.7  0.4 ! A.690  at 2.03e+07
assign (resid  99 and name  HB1 ) (resid  99 and name   HN )  2.5  0.7  0.4 ! A.690  at 1.51e+07
assign (resid  99 and name   HN ) (resid 100 and name   HN )  2.5  0.7  0.4 ! A.400  at 2.03e+07
assign (resid  99 and name  HB2 ) (resid 100 and name   HN )  4.0  2.2  1.0 ! A.407  at 4.04e+06
assign (resid  99 and name  HB1 ) (resid 100 and name   HN )  2.5  0.7  0.4 ! A.407  at 1.04e+07
assign (resid  99 and name  HB1 ) (resid 102 and name   HN )  4.5  2.2  2.0 ! A.429  at 1.28e+06
assign (resid  99 and name   HA ) (resid 102 and name   HN )  4.5  2.2  2.0 ! A.422  at 2.83e+06
assign (resid  99 and name   HN ) (resid 103 and name   HN )  4.5  2.2  2.0 ! A.679  at 1.98e+06
assign (resid  99 and name  HG1 ) (resid 103 and name   HN )  4.0  2.2  1.0 ! A.729  at 3.53e+06

! A100
assign (resid 100 and name  HB# ) (resid 100 and name   HN )  2.5  0.7  0.9 ! A.411  at 4.67e+07
assign (resid 100 and name   HN ) (resid 101 and name   HN )  4.5  2.2  2.0 ! A.400  at 2.63e+06
assign (resid 100 and name   HN ) (resid 101 and name  HB2 )  4.5  2.2  2.0 ! A.406  at 1.08e+06
assign (resid 100 and name   HN ) (resid 101 and name  HD1 )  4.5  2.2  2.0 ! A.402  at 1.19e+06
assign (resid 100 and name   HA ) (resid 101 and name   HN )  4.5  2.2  2.0 ! A.684  at 2.44e+06

! Y101
assign (resid 101 and name  HB1 ) (resid 101 and name   HN )  3.5  1.2  0.5 ! A.814  at 9.03e+06
assign (resid 101 and name  HB2 ) (resid 101 and name   HN )  2.5  0.7  0.4 ! A.688  at 1.45e+07
assign (resid 101 and name  HD1 ) (resid 101 and name   HN )  2.5  0.7  0.4 ! A.682  at 1.14e+07
assign (resid 101 and name  HB2 ) (resid 102 and name   HN )  4.0  2.2  1.0 ! A.426  at 5.84e+06
assign (resid 101 and name   HA ) (resid 102 and name   HN )  4.5  2.2  2.0 ! A.420  at 2.87e+06
assign (resid 101 and name  HD1 ) (resid 102 and name   HN )  4.0  2.2  1.0 ! A.419  at 4.10e+06
assign (resid 101 and name   HN ) (resid 102 and name   HN )  3.5  1.2  0.5 ! A.677  at 9.25e+06
assign (resid 101 and name   HA ) (resid 104 and name   HN )  4.0  2.2  1.0 ! A.698  at 4.28e+06

! N102
assign (resid 102 and name  HB2 ) (resid 102 and name   HN )  3.5  1.2  0.5 ! A.431  at 8.70e+06
assign (resid 102 and name  HB1 ) (resid 102 and name   HN )  3.5  1.2  0.5 ! A.427  at 7.74e+06
assign (resid 102 and name  HB1 ) (resid 102 and name HD22 )  4.5  2.2  2.0 ! A.1307 at 6.21e+05
assign (resid 102 and name  HB2 ) (resid 102 and name HD22 )  4.5  2.2  2.0 ! A.1310 at 9.30e+05
assign (resid 102 and name  HB2 ) (resid 102 and name HD21 )  4.5  2.2  2.0 ! A.1309 at 1.65e+06
assign (resid 102 and name   HN ) (resid 103 and name  HB1 )  4.5  2.2  2.0 ! A.428  at 1.81e+06
assign (resid 102 and name   HN ) (resid 103 and name   HN )  2.5  0.7  0.4 ! A.415  at 1.09e+07
assign (resid 102 and name   HN ) (resid 103 and name   HA )  4.5  2.2  2.0 ! A.422  at 1.83e+06
assign (resid 102 and name   HA ) (resid 103 and name   HN )  4.0  2.2  1.0 ! A.722  at 4.15e+06
assign (resid 102 and name  HB2 ) (resid 103 and name   HN )  4.5  2.2  2.0 ! A.729  at 2.53e+06
assign (resid 102 and name   HN ) (resid 104 and name   HN )  4.5  2.2  2.0 ! A.417  at 6.56e+05
assign (resid 102 and name   HN ) (resid 104 and name  HB2 )  4.5  2.2  2.0 ! A.432  at 2.92e+06
assign (resid 102 and name   HA ) (resid 104 and name   HN )  4.5  2.2  2.0 ! A.702  at 5.99e+05
assign (resid 102 and name HD21 ) (resid 105 and name   HA )  4.5  2.2  2.0 ! A.1304 at 8.43e+05
assign (resid 102 and name HD22 ) (resid 105 and name   HA )  4.5  2.2  2.0 ! A.1305 at 1.21e+06
assign (resid 102 and name  HB1 ) (resid 105 and name   HN )  4.5  2.2  2.0 ! A.1115 at 2.18e+06
assign (resid 102 and name  HB2 ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1197 at 1.73e+06
assign (resid 102 and name HD22 ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1301 at 1.43e+06

! Q103
assign (resid 103 and name HE21 ) (resid 103 and name   HN )  4.5  2.2  2.0 ! A.717  at 3.48e+06
assign (resid 103 and name  HB2 ) (resid 103 and name   HN )  2.5  0.7  0.4 ! A.727  at 3.14e+07
assign (resid 103 and name  HG2 ) (resid 103 and name   HN )  2.5  0.7  0.4 ! A.726  at 1.44e+07
assign (resid 103 and name  HG1 ) (resid 103 and name HE21 )  4.0  2.2  1.0 ! A.1233 at 4.05e+06
assign (resid 103 and name  HG1 ) (resid 103 and name HE22 )  4.5  2.2  2.0 ! A.1234 at 2.28e+06
assign (resid 103 and name  HB1 ) (resid 104 and name   HN )  3.5  1.2  0.5 ! A.705  at 8.20e+06
assign (resid 103 and name   HN ) (resid 104 and name   HN )  2.5  0.7  0.4 ! A.694  at 1.28e+07
assign (resid 103 and name   HN ) (resid 104 and name  HB2 )  4.5  2.2  2.0 ! A.731  at 1.46e+06
assign (resid 103 and name HE22 ) (resid 104 and name  HG2 )  4.5  2.2  2.0 ! A.1244 at 5.81e+05
assign (resid 103 and name HE22 ) (resid 104 and name  HB1 )  4.5  2.2  2.0 ! A.1224 at 1.98e+06
assign (resid 103 and name HE21 ) (resid 104 and name  HB1 )  4.5  2.2  2.0 ! A.1241 at 7.35e+05
assign (resid 103 and name  HB1 ) (resid 105 and name   HN )  4.5  2.2  2.0 ! A.1116 at 7.51e+05
assign (resid 103 and name  HB1 ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1196 at 1.19e+06

! K104
assign (resid 104 and name  HB2 ) (resid 104 and name   HN )  2.5  0.7  0.4 ! A.710  at 1.51e+07
assign (resid 104 and name  HB1 ) (resid 104 and name   HN )  2.5  0.7  0.4 ! A.708  at 1.90e+07
assign (resid 104 and name  HG2 ) (resid 104 and name   HN )  4.5  2.2  2.0 ! A.713  at 2.72e+06
assign (resid 104 and name  HG1 ) (resid 104 and name   HN )  4.0  2.2  1.0 ! A.712  at 4.15e+06
assign (resid 104 and name  HD2 ) (resid 104 and name   HN )  4.5  2.2  2.0 ! A.709  at 7.83e+05
assign (resid 104 and name   HN ) (resid 105 and name  HD1 )  4.5  2.2  2.0 ! A.696  at 5.82e+05
assign (resid 104 and name  HB2 ) (resid 105 and name   HN )  4.0  2.2  1.0 ! A.1119 at 6.23e+06
assign (resid 104 and name  HB1 ) (resid 105 and name   HN )  3.5  1.2  0.5 ! A.1117 at 9.42e+06
assign (resid 104 and name  HG2 ) (resid 105 and name   HN )  4.0  2.2  1.0 ! A.1121 at 3.74e+06
assign (resid 104 and name   HN ) (resid 105 and name   HN )  3.5  1.2  0.5 ! A.1106 at 7.69e+06
assign (resid 104 and name   HA ) (resid 105 and name   HN )  3.5  1.2  0.5 ! A.1110 at 6.77e+06
assign (resid 104 and name  HB2 ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1199 at 1.48e+06
assign (resid 104 and name   HN ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1188 at 2.26e+06
assign (resid 104 and name  HB1 ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1198 at 2.10e+06

! Y105
assign (resid 105 and name  HB1 ) (resid 105 and name   HN )  4.0  2.2  1.0 ! A.1112 at 5.99e+06
assign (resid 105 and name  HB2 ) (resid 105 and name   HN )  4.0  2.2  1.0 ! A.1114 at 5.78e+06
assign (resid 105 and name   HN ) (resid 106 and name   HN )  2.5  0.7  0.4 ! A.1187 at 1.30e+07
assign (resid 105 and name   HA ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1189 at 2.61e+06
assign (resid 105 and name  HB2 ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1193 at 2.20e+06
assign (resid 105 and name  HB1 ) (resid 106 and name   HN )  3.5  1.2  0.5 ! A.1192 at 7.40e+06

! G106


!@ END_XPLR_NOE_FILE
! pck2xplr.nawk Table; Input File: ing28_cnoe3C.PCK
!   Date: Tue Jan  6 18:24:43 EST 2004
!   Path: /home/fengh/My_xplor/ING28m
!
!@ BEGIN_XPLR_PCK_SUM
! LBL   File-Name                   All   Intra  Seq.  Short   Long
! A   ing28_cnoe3C.PCK              383   106     69    111     97
!    Total                          383   106     69    111     97

!@ END_XPLR_PCK_SUM
!@ BEGIN_XPLR_NOE_FILE
!
! A1
assign (resid   1 and name   HA ) (resid   5 and name  HB2 )  4.0  2.2  1.0 ! A.433  at 6.43e+06
assign (resid   1 and name  HB# ) (resid   5 and name  HB1 )  2.5  0.7  0.9 ! A.402  at 1.55e+07

! D2
assign (resid   2 and name   HA ) (resid   3 and name  HB2 )  4.0  2.2  1.0 ! A.35   at 9.40e+06 C
assign (resid   2 and name   HA ) (resid   4 and name  HG2 )  4.0  2.2  1.0 ! A.36   at 8.36e+06
assign (resid   2 and name  HB2 ) (resid   4 and name  HG2 )  4.0  2.2  1.0 ! A.419  at 7.30e+06

! L3
assign (resid   3 and name   HA ) (resid   3 and name HD2# )  3.5  1.2  1.0 ! A.846  at 9.12e+06
assign (resid   3 and name   HA ) (resid   3 and name HD1# )  4.0  2.2  1.5 ! A.761  at 6.61e+06
assign (resid   3 and name  HB2 ) (resid   3 and name HD1# )  2.5  0.7  0.9 ! A.774  at 1.54e+07
assign (resid   3 and name   HA ) (resid   4 and name  HG2 )  4.5  2.2  2.0 ! A.476  at 4.96e+06
assign (resid   3 and name HD2# ) (resid   6 and name  HB1 )  3.5  1.2  1.0 ! A.463  at 8.64e+06
assign (resid   3 and name HD2# ) (resid  43 and name   HA )  4.0  2.2  1.5 ! A.847  at 7.37e+06
assign (resid   3 and name HD2# ) (resid  43 and name  HB# )  4.0  2.2  2.0 ! A.849  at 7.33e+06
assign (resid   3 and name HD1# ) (resid  44 and name   HB )  4.5  2.2  2.5 ! A.773  at 4.66e+06
assign (resid   3 and name HD1# ) (resid  44 and name   HA )  3.5  1.2  1.0 ! A.90   at 1.07e+07
assign (resid   3 and name HD1# ) (resid  45 and name  HD1 )  4.0  2.2  1.5 ! A.193  at 8.49e+06

! E4
assign (resid   4 and name   HA ) (resid   4 and name  HG1 )  3.5  1.2  0.5 ! A.469  at 1.02e+07
assign (resid   4 and name   HA ) (resid   5 and name  HB1 )  4.5  2.2  2.0 ! A.403  at 5.29e+06
assign (resid   4 and name  HG2 ) (resid   5 and name  HB1 )  3.5  1.2  0.5 ! A.472  at 1.14e+07
assign (resid   4 and name   HA ) (resid   7 and name  HB2 )  2.5  0.7  0.4 ! A.311  at 1.45e+07

! D5
assign (resid   5 and name  HB1 ) (resid   8 and name  HB1 )  4.0  2.2  1.0 ! A.512  at 6.12e+06
assign (resid   5 and name   HA ) (resid   8 and name  HB1 )  4.0  2.2  1.0 ! A.64   at 8.45e+06

! N6
assign (resid   6 and name  HB1 ) (resid   7 and name   HA )  4.5  2.2  2.0 ! A.462  at 4.72e+06
assign (resid   6 and name   HA ) (resid   8 and name  HB1 )  4.0  2.2  1.0 ! A.64   at 7.53e+06
assign (resid   6 and name  HB1 ) (resid  40 and name  HB# )  4.5  2.2  2.5 ! A.857  at 4.18e+06
assign (resid   6 and name  HB2 ) (resid  40 and name   HA )  4.5  2.2  2.0 ! A.265  at 1.59e+06
assign (resid   6 and name  HB2 ) (resid  40 and name  HB# )  3.5  1.2  1.0 ! A.858  at 8.99e+06
assign (resid   6 and name  HB1 ) (resid  43 and name  HB# )  3.5  1.2  1.0 ! A.464  at 9.98e+06
assign (resid   6 and name   HA ) (resid  43 and name  HB# )  4.0  2.2  1.5 ! A.646  at 6.17e+06

! W7
assign (resid   7 and name  HB1 ) (resid   8 and name   HA )  4.5  2.2  2.0 ! A.306  at 5.46e+06
assign (resid   7 and name   HA ) (resid   9 and name   HB )  4.5  2.2  2.0 ! A.129  at 5.34e+06
assign (resid   7 and name   HA ) (resid  10 and name HD1# )  4.0  2.2  1.5 ! A.811  at 7.69e+06
assign (resid   7 and name   HA ) (resid  10 and name   HG )  4.0  1.2  1.5 ! A.25   at 9.59e+06

! E8
assign (resid   8 and name  HG2 ) (resid   8 and name   HA )  3.5  1.2  0.5 ! A.106  at 1.17e+07
assign (resid   8 and name   HA ) (resid   8 and name  HG1 )  3.5  1.2  0.5 ! A.447  at 1.17e+07
assign (resid   8 and name  HB1 ) (resid  11 and name  HB2 )  4.0  2.2  1.0 ! A.513  at 6.01e+06
assign (resid   8 and name  HG2 ) (resid  11 and name  HB1 )  3.5  1.2  0.5 ! A.475  at 9.58e+06
assign (resid   8 and name   HA ) (resid  11 and name  HB2 )  2.5  0.7  0.4 ! A.140  at 1.68e+07
assign (resid   8 and name   HA ) (resid  11 and name  HB1 )  3.5  1.2  0.5 ! A.382  at 9.32e+06

! T9
assign (resid   9 and name HG2# ) (resid   9 and name   HA )  2.5  0.7  0.9 ! A.181  at 2.12e+07
assign (resid   9 and name   HA ) (resid  10 and name   HA )  4.0  2.2  1.0 ! A.173  at 6.01e+06
assign (resid   9 and name   HB ) (resid  10 and name  HB2 )  3.5  1.2  0.5 ! A.131  at 1.04e+07
assign (resid   9 and name   HA ) (resid  11 and name  HB1 )  4.0  2.2  1.0 ! A.180  at 8.33e+06
assign (resid   9 and name   HB ) (resid  36 and name   HA )  3.5  1.2  0.5 ! A.130  at 1.17e+07

! L10
assign (resid  10 and name  HB1 ) (resid  10 and name HD1# )  2.5  0.7  0.9 ! A.813  at 1.38e+07
assign (resid  10 and name  HB1 ) (resid  10 and name HD2# )  2.5  0.7  0.9 ! A.779  at 1.34e+07
assign (resid  10 and name   HG ) (resid  10 and name   HA )  3.5  1.2  0.5 ! A.176  at 1.01e+07
assign (resid  10 and name HD1# ) (resid  10 and name  HB2 )  2.5  0.7  0.9 ! A.738  at 4.83e+07
assign (resid  10 and name  HB2 ) (resid  10 and name HD2# )  2.5  0.7  0.9 ! A.774  at 1.54e+07
assign (resid  10 and name HD1# ) (resid  33 and name  HG1 )  4.5  2.2  2.5 ! A.814  at 4.92e+06
assign (resid  10 and name  HB2 ) (resid  36 and name  HB# )  3.5  0.7  0.9 ! A.706  at 8.04e+07 C
assign (resid  10 and name   HA ) (resid  36 and name  HB# )  2.5  0.7  0.9 ! A.177  at 6.76e+07

! N11
assign (resid  11 and name   HA ) (resid  12 and name  HB2 )  4.5  2.2  2.0 ! A.435  at 4.72e+06

! D12
assign (resid  12 and name  HB2 ) (resid  13 and name   HA )  3.5  1.2  0.5 ! A.58   at 9.48e+06
assign (resid  12 and name  HB2 ) (resid  15 and name  HD1 )  4.0  2.2  1.0 ! A.437  at 8.09e+06
assign (resid  12 and name   HA ) (resid  15 and name  HD1 )  4.0  2.2  1.0 ! A.632  at 8.43e+06
assign (resid  12 and name  HB2 ) (resid  15 and name  HB1 )  4.0  2.2  1.0 ! A.431  at 6.27e+06
assign (resid  12 and name  HB1 ) (resid  16 and name   HB )  4.0  2.2  1.0 ! A.496  at 5.97e+06

! N13
assign (resid  13 and name   HA ) (resid  15 and name  HB1 )  4.0  1.2  1.0 ! A.60   at 1.11e+07
assign (resid  13 and name  HB2 ) (resid  29 and name  HB# )  4.0  2.2  1.5 ! A.432  at 7.65e+06

! L14
assign (resid  14 and name  HB1 ) (resid  14 and name HD1# )  2.5  0.7  0.9 ! A.838  at 4.30e+07
assign (resid  14 and name  HB2 ) (resid  14 and name HD1# )  2.5  0.7  0.9 ! A.839  at 4.94e+07
assign (resid  14 and name   HA ) (resid  14 and name HD1# )  2.5  0.7  0.9 ! A.793  at 1.66e+07
assign (resid  14 and name  HB1 ) (resid  15 and name   HA )  3.5  1.2  0.5 ! A.163  at 8.60e+06
assign (resid  14 and name HD1# ) (resid  17 and name   HB )  3.5  0.7  0.9 ! A.771  at 3.49e+07
assign (resid  14 and name  HB1 ) (resid  18 and name  HG1 )  2.5  0.7  0.4 ! A.547  at 9.54e+07
assign (resid  14 and name HD2# ) (resid  33 and name  HG1 )  3.5  1.2  1.0 ! A.814  at 9.92e+06
assign (resid  14 and name HD1# ) (resid  91 and name  HB# )  2.5  0.7  1.4 ! A.679  at 4.12e+07
assign (resid  14 and name HD1# ) (resid  91 and name   HA )  3.5  1.2  1.0 ! A.182  at 1.20e+07
assign (resid  14 and name HD1# ) (resid  93 and name  HG1 )  4.0  2.2  1.5 ! A.480  at 7.58e+06
assign (resid  14 and name   HG ) (resid  95 and name  HG2 )  2.5  0.7  0.4 ! A.597  at 3.72e+07
assign (resid  14 and name   HG ) (resid  95 and name  HG1 )  4.0  2.2  1.0 ! A.719  at 7.02e+06

! K15
assign (resid  15 and name  HB1 ) (resid  15 and name  HE1 )  2.5  0.7  0.4 ! A.369  at 2.03e+07
assign (resid  15 and name  HE1 ) (resid  15 and name  HG2 )  2.5  0.7  0.4 ! A.626  at 3.40e+07
assign (resid  15 and name  HE1 ) (resid  15 and name  HG1 )  4.0  2.2  1.0 ! A.626  at 7.40e+06
assign (resid  15 and name  HD1 ) (resid  16 and name   HA )  4.5  2.2  2.0 ! A.277  at 4.70e+06
assign (resid  15 and name  HE1 ) (resid  16 and name HG2# )  2.5  0.7  0.9 ! A.817  at 1.24e+07
assign (resid  15 and name   HA ) (resid  19 and name  HD1 )  2.5  0.7  0.4 ! A.164  at 2.23e+07

! V16
assign (resid  16 and name   HA ) (resid  18 and name  HG1 )  4.5  2.2  2.0 ! A.274  at 4.93e+06
assign (resid  16 and name   HA ) (resid  19 and name   HA )  4.0  2.2  1.0 ! A.273  at 8.04e+06
assign (resid  16 and name   HA ) (resid  19 and name  HB2 )  4.0  2.2  1.0 ! A.275  at 7.59e+06
assign (resid  16 and name   HA ) (resid  25 and name  HB1 )  4.5  2.2  2.0 ! A.595  at 4.82e+06
assign (resid  16 and name HG1# ) (resid  29 and name   HA )  4.5  2.2  2.5 ! A.766  at 4.25e+06
assign (resid  16 and name HG1# ) (resid  29 and name  HB# )  2.5  0.7  1.4 ! A.768  at 3.41e+07

! I17
assign (resid  17 and name   HA ) (resid  20 and name  HB# )  2.5  0.7  0.9 ! A.293  at 1.54e+07
assign (resid  17 and name   HA ) (resid  26 and name   HA )  4.5  2.2  2.0 ! A.289  at 5.07e+06
assign (resid  17 and name   HA ) (resid  26 and name HG1# )  4.5  2.2  2.5 ! A.770  at 4.84e+06
assign (resid  17 and name HG12 ) (resid  26 and name HG1# )  3.5  1.2  1.0 ! A.684  at 9.99e+06
assign (resid  17 and name   HB ) (resid  29 and name  HB# )  4.0  2.2  1.5 ! A.567  at 7.41e+06
assign (resid  17 and name   HA ) (resid  87 and name  HB# )  4.0  2.2  1.5 ! A.294  at 5.94e+06
assign (resid  17 and name   HB ) (resid  88 and name   HA )  2.5  0.7  0.4 ! A.564  at 1.77e+07
assign (resid  17 and name   HB ) (resid  88 and name  HG2 )  2.5  0.7  0.4 ! A.565  at 3.16e+07
assign (resid  17 and name   HB ) (resid  91 and name  HB# )  3.5  1.2  1.0 ! A.533  at 1.04e+07

! E18
assign (resid  18 and name  HG2 ) (resid  88 and name   HA )  4.0  2.2  1.0 ! A.504  at 7.50e+06
assign (resid  18 and name  HB1 ) (resid  88 and name  HG2 )  4.0  1.2  1.0 ! A.532  at 1.02e+07 C
assign (resid  18 and name  HG1 ) (resid  95 and name  HE1 )  3.5  1.2  0.5 ! A.497  at 9.54e+06

! K19
assign (resid  19 and name   HA ) (resid  19 and name  HG1 )  2.5  0.7  0.4 ! A.650  at 1.96e+07
assign (resid  19 and name  HE1 ) (resid  19 and name  HB2 )  2.5  0.7  0.4 ! A.626  at 3.40e+07
assign (resid  19 and name   HA ) (resid  20 and name   HA )  4.0  2.2  1.0 ! A.154  at 8.01e+06

! A20
assign (resid  20 and name   HA ) (resid  21 and name  HB1 )  4.5  2.2  2.0 ! A.396  at 4.71e+06
assign (resid  20 and name  HB# ) (resid  21 and name  HB2 )  4.0  2.2  1.5 ! A.688  at 6.16e+06
assign (resid  20 and name  HB# ) (resid  23 and name   HA )  4.0  2.2  1.5 ! A.252  at 7.19e+06
assign (resid  20 and name   HA ) (resid  25 and name  HG1 )  4.5  2.2  2.0 ! A.490  at 4.54e+06
assign (resid  20 and name  HB# ) (resid  25 and name  HB1 )  3.5  1.2  1.0 ! A.729  at 9.67e+06
assign (resid  20 and name  HB# ) (resid  25 and name  HG1 )  4.0  2.2  1.5 ! A.492  at 7.41e+06
assign (resid  20 and name  HB# ) (resid  26 and name   HB )  2.5  0.7  0.9 ! A.683  at 1.40e+07

! D21

! N22
assign (resid  22 and name   HA ) (resid  23 and name   HA )  4.0  2.2  1.0 ! A.249  at 5.73e+06
assign (resid  22 and name   HA ) (resid  84 and name   HA )  4.5  2.2  2.0 ! A.1    at 5.01e+06
assign (resid  22 and name   HA ) (resid  84 and name HG1# )  3.5  1.2  1.0 ! A.835  at 1.03e+07

! A23
assign (resid  23 and name   HA ) (resid  26 and name   HB )  2.5  0.7  0.4 ! A.250  at 1.71e+07
assign (resid  23 and name   HA ) (resid  79 and name  HB# )  2.5  0.7  0.9 ! A.254  at 1.36e+07
assign (resid  23 and name  HB# ) (resid  82 and name  HA2 )  4.0  2.2  1.5 ! A.702  at 5.80e+06
assign (resid  23 and name  HB# ) (resid  84 and name HG2# )  2.5  0.7  1.4 ! A.792  at 2.23e+07

! A24
assign (resid  24 and name  HB# ) (resid  25 and name  HG2 )  4.0  2.2  1.5 ! A.649  at 7.07e+06
assign (resid  24 and name  HB# ) (resid  25 and name  HG1 )  3.5  1.2  1.0 ! A.484  at 1.09e+07

! Q25
assign (resid  25 and name   HA ) (resid  25 and name  HG1 )  2.5  0.7  0.4 ! A.489  at 2.81e+07
assign (resid  25 and name   HA ) (resid  28 and name  HB2 )  3.5  1.2  0.5 ! A.448  at 1.10e+07
assign (resid  25 and name  HG1 ) (resid  28 and name  HB1 )  4.0  2.2  1.0 ! A.421  at 6.71e+06

! V26
assign (resid  26 and name   HA ) (resid  29 and name  HB# )  4.0  2.2  1.5 ! A.278  at 5.72e+06
assign (resid  26 and name HG1# ) (resid  84 and name   HA )  4.0  2.2  1.5 ! A.324  at 6.59e+06
assign (resid  26 and name   HB ) (resid  87 and name  HB# )  3.5  0.7  0.9 ! A.544  at 1.93e+07
assign (resid  26 and name HG1# ) (resid  88 and name  HG1 )  4.0  2.2  1.5 ! A.772  at 8.26e+06

! K27
assign (resid  27 and name   HA ) (resid  28 and name  HB1 )  4.5  2.2  2.0 ! A.205  at 5.19e+06
assign (resid  27 and name   HA ) (resid  30 and name   HG )  4.0  2.2  1.0 ! A.245  at 8.07e+06
assign (resid  27 and name   HA ) (resid  30 and name HD1# )  3.5  1.2  1.0 ! A.256  at 9.90e+06
assign (resid  27 and name  HE1 ) (resid  76 and name HD2# )  2.5  0.7  0.9 ! A.809  at 2.57e+07
assign (resid  27 and name  HB2 ) (resid  76 and name HD2# )  4.5  2.2  2.5 ! A.803  at 5.40e+06

! D28
assign (resid  28 and name   HA ) (resid  31 and name HG2# )  4.5  2.2  2.5 ! A.754  at 5.40e+06
assign (resid  28 and name   HA ) (resid  32 and name  HE1 )  2.5  0.7  0.4 ! A.100  at 3.55e+07
assign (resid  28 and name  HB2 ) (resid  32 and name  HG2 )  4.5  2.2  2.0 ! A.721  at 5.41e+06

! A29
assign (resid  29 and name   HA ) (resid  30 and name  HB2 )  4.5  2.2  2.0 ! A.755  at 4.87e+06
assign (resid  29 and name   HA ) (resid  32 and name  HE1 )  4.0  2.2  1.0 ! A.145  at 7.90e+06
assign (resid  29 and name   HA ) (resid  32 and name  HG1 )  2.5  0.7  0.4 ! A.114  at 1.69e+07

! L30
assign (resid  30 and name   HG ) (resid  30 and name   HA )  3.5  1.2  0.5 ! A.147  at 1.16e+07
assign (resid  30 and name HD2# ) (resid  30 and name   HA )  3.5  1.2  1.0 ! A.172  at 9.57e+06
assign (resid  30 and name HD1# ) (resid  30 and name  HB1 )  2.5  0.7  0.9 ! A.554  at 2.81e+07
assign (resid  30 and name  HB2 ) (resid  31 and name   HB )  4.0  2.2  1.0 ! A.78   at 8.17e+06
assign (resid  30 and name  HB1 ) (resid  72 and name   HB )  4.5  2.2  2.0 ! A.563  at 3.66e+06
assign (resid  30 and name  HB1 ) (resid  73 and name   HA )  2.5  0.7  0.4 ! A.562  at 2.11e+07
assign (resid  30 and name  HB1 ) (resid  76 and name   HA )  3.5  1.2  0.5 ! A.561  at 9.32e+06
assign (resid  30 and name  HB2 ) (resid  76 and name  HB1 )  4.5  2.2  2.0 ! A.756  at 4.69e+06
assign (resid  30 and name HD2# ) (resid  76 and name  HB2 )  2.5  0.7  0.9 ! A.657  at 2.49e+07
assign (resid  30 and name HD1# ) (resid  79 and name  HB# )  3.5  1.2  1.5 ! A.807  at 8.65e+06
assign (resid  30 and name HD1# ) (resid  87 and name  HB# )  2.5  0.7  1.4 ! A.806  at 4.62e+07

! T31
assign (resid  31 and name   HB ) (resid  32 and name  HE2 )  2.5  0.7  0.4 ! A.362  at 1.51e+07
assign (resid  31 and name   HA ) (resid  32 and name  HG2 )  4.5  2.2  2.0 ! A.741  at 4.10e+06
assign (resid  31 and name   HA ) (resid  76 and name HD1# )  3.5  1.2  1.0 ! A.256  at 9.90e+06

! K32
assign (resid  32 and name  HE2 ) (resid  32 and name   HA )  3.5  1.2  0.5 ! A.145  at 1.19e+07
assign (resid  32 and name  HG1 ) (resid  32 and name  HE1 )  2.5  0.7  0.4 ! A.366  at 2.48e+07
assign (resid  32 and name   HA ) (resid  32 and name  HE1 )  4.0  2.2  1.0 ! A.363  at 7.33e+06
assign (resid  32 and name   HA ) (resid  32 and name  HG2 )  3.5  1.2  0.5 ! A.724  at 1.04e+07
assign (resid  32 and name  HE1 ) (resid  32 and name  HG2 )  2.5  0.7  0.4 ! A.725  at 4.30e+07
assign (resid  32 and name  HB1 ) (resid  32 and name  HE1 )  4.5  2.2  2.0 ! A.365  at 5.18e+06

! M33
assign (resid  33 and name   HA ) (resid  37 and name   HA )  4.0  2.2  1.0 ! A.258  at 7.64e+06

! R34
assign (resid  34 and name  HG1 ) (resid  34 and name   HA )  3.5  1.2  0.5 ! A.262  at 9.37e+06
assign (resid  34 and name  HD1 ) (resid  73 and name  HB2 )  2.5  0.7  0.4 ! A.385  at 1.63e+07
assign (resid  34 and name  HD1 ) (resid  76 and name HD2# )  4.0  2.2  1.5 ! A.334  at 7.71e+06

! A35

! A36
assign (resid  36 and name   HA ) (resid  39 and name  HB1 )  2.5  0.7  0.4 ! A.453  at 2.19e+07

! A37
assign (resid  37 and name   HA ) (resid  40 and name  HB# )  4.5  2.2  2.5 ! A.257  at 4.86e+06
assign (resid  37 and name   HA ) (resid  68 and name HD1# )  3.5  1.2  1.0 ! A.823  at 1.04e+07
assign (resid  37 and name   HA ) (resid  69 and name   HB )  4.5  2.2  2.0 ! A.536  at 4.29e+06
assign (resid  37 and name  HB# ) (resid  69 and name HG2# )  2.5  0.7  1.4 ! A.735  at 1.28e+07
assign (resid  37 and name  HB# ) (resid  69 and name   HB )  3.0  0.7  0.9 ! A.537  at 1.66e+07

! L38
assign (resid  38 and name   HA ) (resid  38 and name HD2# )  2.5  0.7  0.9 ! A.831  at 1.30e+07
assign (resid  38 and name   HA ) (resid  38 and name HD1# )  4.0  2.2  1.5 ! A.831  at 6.30e+06
assign (resid  38 and name  HB1 ) (resid  38 and name HD2# )  2.5  0.7  0.9 ! A.818  at 1.29e+07
assign (resid  38 and name HD2# ) (resid  38 and name  HB2 )  2.5  0.7  0.9 ! A.663  at 4.49e+07
assign (resid  38 and name HD1# ) (resid  38 and name  HB1 )  2.5  0.7  0.9 ! A.614  at 1.77e+07
assign (resid  38 and name   HA ) (resid  39 and name  HB1 )  4.5  2.2  2.0 ! A.231  at 5.13e+06
assign (resid  38 and name  HB1 ) (resid  41 and name  HB2 )  2.5  0.7  0.4 ! A.637  at 7.18e+07
assign (resid  38 and name HD2# ) (resid  41 and name  HB2 )  3.5  1.2  1.0 ! A.834  at 9.84e+06
assign (resid  38 and name   HA ) (resid  41 and name  HB2 )  3.5  1.2  0.5 ! A.232  at 9.61e+06
assign (resid  38 and name   HA ) (resid  62 and name  HG2 )  4.0  2.2  1.0 ! A.636  at 5.74e+06
assign (resid  38 and name   HA ) (resid  65 and name  HB2 )  4.5  2.2  2.0 ! A.231  at 5.33e+06
assign (resid  38 and name HD2# ) (resid  66 and name   HA )  4.0  2.2  1.5 ! A.98   at 7.55e+06

! D39
assign (resid  39 and name  HB1 ) (resid  40 and name   HA )  4.5  2.2  2.0 ! A.452  at 4.72e+06

! A40

! Q41
assign (resid  41 and name  HB1 ) (resid  42 and name  HE1 )  3.5  1.2  0.5 ! A.525  at 8.80e+06
assign (resid  41 and name  HG2 ) (resid  62 and name  HD2 )  4.0  2.2  1.0 ! A.381  at 5.98e+06
assign (resid  41 and name  HG2 ) (resid  62 and name  HG1 )  3.5  1.2  0.5 ! A.528  at 1.13e+07

! K42
assign (resid  42 and name   HA ) (resid  42 and name  HG1 )  4.0  2.2  1.0 ! A.722  at 7.68e+06
assign (resid  42 and name  HE1 ) (resid  42 and name  HB1 )  4.0  2.2  1.0 ! A.525  at 2.80e+07 C
assign (resid  42 and name  HB2 ) (resid  43 and name   HA )  4.5  2.2  2.0 ! A.606  at 7.26e+06
assign (resid  42 and name  HB2 ) (resid  43 and name  HB# )  4.0  2.2  1.5 ! A.609  at 5.51e+06
!assign (resid  42 and name  HB2 ) (resid  44 and name   HA )  4.5  2.2  2.0 ! A.582  at 5.00e+06

! A43

! T44
assign (resid  44 and name   HB ) (resid  46 and name  HD1 )  4.5  2.2  2.0 ! A.186  at 5.05e+06
assign (resid  44 and name   HA ) (resid 104 and name  HB1 )  4.5  2.2  2.0 ! A.88   at 4.27e+06

! P45
assign (resid  45 and name   HA ) (resid  46 and name  HD1 )  4.5  2.2  2.0 ! A.187  at 5.47e+06
assign (resid  45 and name  HB1 ) (resid  98 and name HG2# )  4.0  2.2  1.5 ! A.777  at 7.53e+06
assign (resid  45 and name  HB2 ) (resid  98 and name HG2# )  4.5  2.2  2.5 ! A.583  at 2.28e+06
assign (resid  45 and name  HB2 ) (resid 104 and name  HG1 )  3.0  0.7  0.4 ! A.581  at 1.37e+07
assign (resid  45 and name  HB1 ) (resid 106 and name  HA2 )  4.5  2.2  2.0 ! A.517  at 3.77e+06

! P46
assign (resid  46 and name  HD1 ) (resid  46 and name  HB2 )  4.0  2.2  1.0 ! A.516  at 5.74e+06
assign (resid  46 and name   HA ) (resid  47 and name   HA )  4.0  2.2  1.0 ! A.126  at 6.39e+06
assign (resid  46 and name   HA ) (resid  47 and name  HD1 )  3.0  0.7  0.6 ! A.137  at 1.69e+07
assign (resid  46 and name  HD1 ) (resid 104 and name  HG1 )  2.5  0.7  0.4 ! A.194  at 2.03e+07
assign (resid  46 and name  HB1 ) (resid 105 and name  HB2 )  4.5  2.2  2.0 ! A.515  at 4.33e+06
assign (resid  46 and name  HB1 ) (resid 105 and name   HA )  4.0  2.2  1.0 ! A.7    at 8.06e+06
assign (resid  46 and name  HG1 ) (resid 105 and name  HB2 )  2.5  0.7  0.4 ! A.354  at 1.38e+07
assign (resid  46 and name  HB1 ) (resid 106 and name  HA1 )  3.0  0.7  0.6 ! A.198  at 1.51e+07
assign (resid  46 and name  HG1 ) (resid 106 and name  HA2 )  3.5  1.2  0.5 ! A.239  at 9.97e+06

! K47
assign (resid  47 and name   HA ) (resid  47 and name  HG1 )  2.5  0.7  0.4 ! A.686  at 1.26e+07
assign (resid  47 and name   HA ) (resid  48 and name  HB2 )  4.0  2.2  1.0 ! A.127  at 7.77e+06
assign (resid  47 and name  HD1 ) (resid  50 and name   HA )  2.5  0.7  0.4 ! A.34   at 2.07e+07

! L48
assign (resid  48 and name   HA ) (resid  48 and name HD1# )  2.5  0.7  0.9 ! A.827  at 1.72e+07
assign (resid  48 and name  HB1 ) (resid  48 and name HD1# )  2.5  0.7  0.9 ! A.828  at 1.31e+07
assign (resid  48 and name   HG ) (resid  49 and name  HG# )  3.5  1.2  1.0 ! A.488  at 9.09e+06
assign (resid  48 and name HD1# ) (resid  53 and name  HB1 )  3.5  1.2  1.0 ! A.829  at 1.11e+07
assign (resid  48 and name HD1# ) (resid  58 and name   HA )  4.0  2.2  1.5 ! A.826  at 6.23e+06
assign (resid  48 and name HD1# ) (resid  58 and name  HG1 )  3.5  1.2  1.0 ! A.417  at 1.09e+07
assign (resid  48 and name  HB1 ) (resid  61 and name  HB1 )  4.0  2.2  1.0 ! A.648  at 7.20e+06
assign (resid  48 and name HD2# ) (resid  61 and name  HB2 )  4.5  2.2  2.5 ! A.845  at 5.15e+06
assign (resid  48 and name  HB2 ) (resid  61 and name  HB1 )  4.0  2.2  1.0 ! A.330  at 6.22e+06
assign (resid  48 and name HD2# ) (resid 105 and name  HB1 )  4.5  2.2  2.5 ! A.844  at 4.26e+06

! E49
assign (resid  49 and name  HG1 ) (resid  49 and name   HA )  3.0  0.7  0.5 ! A.139  at 2.48e+07 C

! D50
assign (resid  50 and name   HA ) (resid  51 and name  HB1 )  4.5  2.2  2.0 ! A.587  at 4.86e+06

! K51
assign (resid  51 and name  HG1 ) (resid  52 and name   HA )  4.5  2.2  2.0 ! A.31   at 5.31e+06
assign (resid  51 and name  HE1 ) (resid  53 and name  HD1 )  4.0  2.2  1.0 ! A.207  at 6.56e+06

! S52
assign (resid  52 and name  HB2 ) (resid  53 and name  HD1 )  4.0  2.2  1.0 ! A.206  at 7.69e+06
assign (resid  52 and name   HA ) (resid  53 and name  HB1 )  4.5  2.2  2.0 ! A.30   at 4.86e+06
assign (resid  52 and name   HA ) (resid  53 and name  HD1 )  2.5  0.7  0.4 ! A.28   at 4.59e+07
assign (resid  52 and name   HA ) (resid  55 and name  HB1 )  4.0  2.2  1.0 ! A.118  at 6.87e+06

! P53
assign (resid  53 and name  HD1 ) (resid  53 and name   HA )  3.5  1.2  0.5 ! A.111  at 1.04e+07
assign (resid  53 and name  HB2 ) (resid  54 and name   HA )  4.0  2.2  1.0 ! A.8    at 7.16e+06
assign (resid  53 and name  HB1 ) (resid  54 and name  HB2 )  4.0  2.2  1.0 ! A.423  at 6.38e+06

! D54
assign (resid  54 and name   HA ) (resid  55 and name  HB1 )  4.0  2.2  1.0 ! A.10   at 5.96e+06
assign (resid  54 and name  HB2 ) (resid  57 and name   HA )  4.0  2.2  1.0 ! A.400  at 5.74e+06
assign (resid  54 and name  HB2 ) (resid  57 and name  HB2 )  2.5  0.7  0.4 ! A.573  at 1.23e+07

! S55

! P56

! E57

! M58
assign (resid  58 and name   HA ) (resid  61 and name  HB1 )  4.0  2.2  1.0 ! A.46   at 7.06e+06

! K59
assign (resid  59 and name  HE1 ) (resid  59 and name  HG2 )  2.5  0.7  0.4 ! A.725  at 1.30e+07
assign (resid  59 and name  HE1 ) (resid  59 and name   HA )  3.5  1.2  0.5 ! A.166  at 8.93e+06
assign (resid  59 and name  HG1 ) (resid  62 and name  HG1 )  3.5  1.2  0.5 ! A.733  at 1.13e+07

! D60
assign (resid  60 and name  HB2 ) (resid  63 and name  HB1 )  4.5  2.2  2.0 ! A.387  at 1.60e+06

! F61
assign (resid  61 and name   HA ) (resid  64 and name  HA1 )  4.0  2.2  1.0 ! A.160  at 7.32e+06
assign (resid  61 and name  HB1 ) (resid  65 and name  HB2 )  4.5  2.2  2.0 ! A.442  at 2.88e+06

! R62
assign (resid  62 and name  HD1 ) (resid  62 and name   HA )  4.0  2.2  1.0 ! A.243  at 7.50e+06
assign (resid  62 and name  HG2 ) (resid  66 and name  HB2 )  2.5  0.7  0.4 ! A.643  at 1.38e+07
assign (resid  62 and name  HG2 ) (resid  66 and name   HA )  3.0  0.7  0.5 ! A.97   at 2.22e+07 C
!assign (resid  62 and name   HA ) (resid  69 and name   HB )  4.5  2.2  2.0 ! A.535  at 5.27e+06

! H63
assign (resid  63 and name   HA ) (resid  66 and name  HB1 )  2.5  0.7  0.4 ! A.409  at 1.69e+07
assign (resid  63 and name   HA ) (resid  67 and name HG12 )  4.5  2.2  2.0 ! A.44   at 5.28e+06

! G64
assign (resid  64 and name  HA1 ) (resid  67 and name HG12 )  4.5  2.2  2.0 ! A.804  at 4.47e+06
assign (resid  64 and name  HA1 ) (resid  67 and name   HB )  4.5  2.2  2.0 ! A.598  at 4.48e+06
assign (resid  64 and name  HA2 ) (resid  67 and name   HB )  4.5  2.2  2.0 ! A.360  at 4.43e+06

! F65
assign (resid  65 and name   HA ) (resid  68 and name  HB1 )  3.0  0.7  0.6 ! A.157  at 1.32e+07
assign (resid  65 and name  HB2 ) (resid  69 and name HG2# )  4.5  2.2  2.5 ! A.444  at 5.39e+06
assign (resid  65 and name  HB1 ) (resid  69 and name HG2# )  4.5  2.2  2.5 ! A.394  at 4.44e+06

! D66
assign (resid  66 and name  HB2 ) (resid  67 and name   HB )  4.5  2.2  2.0 ! A.600  at 4.67e+06
assign (resid  66 and name  HB2 ) (resid  67 and name HG12 )  4.0  2.2  1.0 ! A.765  at 8.12e+06
assign (resid  66 and name   HA ) (resid  69 and name HG2# )  4.5  2.2  2.5 ! A.99   at 4.78e+06

! I67
assign (resid  67 and name   HA ) (resid  67 and name HG2# )  3.5  1.2  1.0 ! A.836  at 8.88e+06
assign (resid  67 and name   HA ) (resid  68 and name  HB1 )  4.5  2.2  2.0 ! A.615  at 4.16e+06
assign (resid  67 and name HG2# ) (resid  68 and name  HB1 )  4.0  2.2  1.5 ! A.618  at 7.81e+06

! L68
assign (resid  68 and name HD2# ) (resid  68 and name  HB1 )  2.5  0.7  0.9 ! A.617  at 5.51e+07
assign (resid  68 and name HD1# ) (resid  68 and name  HB1 )  2.5  0.7  0.9 ! A.617  at 5.51e+07
assign (resid  68 and name  HB2 ) (resid  69 and name   HA )  4.5  2.2  2.0 ! A.680  at 4.26e+06
assign (resid  68 and name HD2# ) (resid 104 and name  HD2 )  4.0  2.2  1.5 ! A.833  at 7.11e+06

! V69
assign (resid  69 and name   HB ) (resid  70 and name  HA2 )  4.0  2.2  1.0 ! A.225  at 6.59e+06
assign (resid  69 and name   HB ) (resid  70 and name  HA1 )  4.5  2.2  1.5 ! A.225  at 6.59e+06

! G70
assign (resid  70 and name  HA2 ) (resid  74 and name  HB2 )  4.0  2.2  1.0 ! A.179  at 6.25e+06

! Q71
assign (resid  71 and name   HA ) (resid  71 and name  HG1 )  3.5  1.2  0.5 ! A.478  at 1.07e+07
assign (resid  71 and name   HA ) (resid  72 and name   HB )  4.5  2.2  2.0 ! A.556  at 7.40e+06
assign (resid  71 and name  HB1 ) (resid  74 and name  HB1 )  4.0  2.2  1.0 ! A.575  at 7.23e+06

! I72
assign (resid  72 and name HG11 ) (resid  72 and name   HA )  3.5  1.2  0.5 ! A.284  at 9.21e+06
assign (resid  72 and name HG2# ) (resid  76 and name  HB2 )  4.0  2.2  1.5 ! A.660  at 6.96e+06
assign (resid  72 and name   HA ) (resid  93 and name  HG1 )  4.0  2.2  1.0 ! A.282  at 5.54e+06
assign (resid  72 and name HG11 ) (resid  93 and name  HG1 )  4.5  2.2  2.0 ! A.481  at 5.32e+06
assign (resid  72 and name   HA ) (resid  94 and name HD2# )  4.5  2.2  2.0 ! A.283  at 7.88e+06
assign (resid  72 and name HG11 ) (resid  94 and name  HB2 )  3.5  1.2  0.5 ! A.665  at 8.60e+06
assign (resid  72 and name   HA ) (resid  94 and name HD1# )  4.0  2.2  1.5 ! A.266  at 6.52e+06

! D73
assign (resid  73 and name  HB2 ) (resid  74 and name   HA )  4.0  1.2  1.0 ! A.83   at 8.62e+06 C
assign (resid  73 and name   HA ) (resid  76 and name HD1# )  2.5  0.7  0.9 ! A.801  at 1.53e+07
assign (resid  73 and name  HB1 ) (resid  76 and name  HB2 )  4.0  2.2  1.0 ! A.356  at 7.25e+06
assign (resid  73 and name  HB2 ) (resid  76 and name HD1# )  3.5  1.2  1.0 ! A.802  at 1.08e+07
assign (resid  73 and name   HA ) (resid  76 and name  HB2 )  2.5  0.7  0.4 ! A.655  at 1.36e+07
assign (resid  73 and name   HA ) (resid  76 and name  HB1 )  2.5  0.7  0.4 ! A.54   at 1.32e+07

! D74
assign (resid  74 and name   HA ) (resid  76 and name  HB1 )  3.5  1.2  0.5 ! A.81   at 8.68e+06
assign (resid  74 and name   HA ) (resid  77 and name   HA )  4.0  2.2  1.0 ! A.165  at 6.56e+06
assign (resid  74 and name  HB2 ) (resid  77 and name  HD1 )  3.5  1.2  0.5 ! A.427  at 8.74e+06
assign (resid  74 and name   HA ) (resid  77 and name  HB1 )  2.5  0.7  0.4 ! A.56   at 4.08e+07
assign (resid  74 and name   HA ) (resid  78 and name  HB2 )  4.5  2.2  2.0 ! A.82   at 5.10e+06

! A75
assign (resid  75 and name   HA ) (resid  77 and name  HE1 )  4.5  2.2  2.0 ! A.375  at 4.49e+06
assign (resid  75 and name   HA ) (resid  77 and name  HB1 )  4.0  2.2  1.0 ! A.541  at 8.10e+06
assign (resid  75 and name   HA ) (resid  78 and name HD1# )  2.5  0.7  0.9 ! A.816  at 2.69e+07
assign (resid  75 and name  HB# ) (resid  78 and name  HB2 )  2.5  0.7  0.9 ! A.697  at 5.29e+08

! L76
assign (resid  76 and name HD2# ) (resid  76 and name  HB2 )  2.5  0.7  0.9 ! A.658  at 8.74e+07
assign (resid  76 and name  HB1 ) (resid  77 and name   HA )  3.5  1.2  0.5 ! A.167  at 8.85e+06

! K77
assign (resid  77 and name  HB1 ) (resid  77 and name  HE1 )  2.5  0.7  0.4 ! A.376  at 2.36e+07
assign (resid  77 and name   HA ) (resid  77 and name  HG2 )  2.5  0.7  0.4 ! A.610  at 1.62e+07
assign (resid  77 and name   HA ) (resid  77 and name  HG1 )  3.5  1.2  0.5 ! A.610  at 9.62e+06
assign (resid  77 and name   HA ) (resid  77 and name  HE1 )  4.5  2.2  2.0 ! A.363  at 5.33e+06
assign (resid  77 and name  HB1 ) (resid  78 and name  HB2 )  3.5  1.2  0.5 ! A.572  at 1.17e+07
assign (resid  77 and name   HA ) (resid  78 and name  HB2 )  4.0  2.2  1.0 ! A.168  at 5.76e+06
assign (resid  77 and name  HE1 ) (resid  78 and name HD1# )  2.5  0.7  0.9 ! A.817  at 1.74e+07

! L78
assign (resid  78 and name HD2# ) (resid  78 and name   HA )  2.5  0.7  0.9 ! A.151  at 3.50e+07
assign (resid  78 and name   HA ) (resid  78 and name HD1# )  2.5  0.7  0.9 ! A.793  at 1.26e+07
assign (resid  78 and name  HB1 ) (resid  78 and name HD2# )  2.5  0.7  0.9 ! A.818  at 1.53e+07
assign (resid  78 and name  HB2 ) (resid  78 and name HD2# )  2.5  0.7  0.9 ! A.819  at 1.75e+07
assign (resid  78 and name  HB2 ) (resid  78 and name HD1# )  2.5  0.7  0.9 ! A.819  at 1.75e+07
assign (resid  78 and name  HB2 ) (resid  83 and name  HG2 )  3.5  1.2  0.5 ! A.695  at 8.92e+06
assign (resid  78 and name  HB1 ) (resid  83 and name  HG2 )  2.5  0.7  0.4 ! A.612  at 4.15e+07

! A79

! N80

! E81
assign (resid  81 and name  HG2 ) (resid  83 and name  HE1 )  2.5  0.7  0.4 ! A.498  at 4.55e+07

! G82

! K83
assign (resid  83 and name  HG2 ) (resid  83 and name   HA )  4.0  2.2  1.0 ! A.69   at 6.34e+06
assign (resid  83 and name   HA ) (resid  83 and name  HG1 )  4.0  2.2  1.0 ! A.739  at 7.45e+06
assign (resid  83 and name   HA ) (resid  84 and name HG2# )  4.0  2.2  1.5 ! A.842  at 6.87e+06
assign (resid  83 and name  HB2 ) (resid  84 and name   HA )  4.0  2.2  1.0 ! A.323  at 6.20e+06

! V84
assign (resid  84 and name   HA ) (resid  84 and name HG2# )  4.5  2.2  2.5 ! A.841  at 4.59e+06
assign (resid  84 and name   HA ) (resid  87 and name  HB# )  3.5  1.2  1.0 ! A.326  at 1.20e+07

! K85
assign (resid  85 and name   HA ) (resid  85 and name  HG1 )  3.5  1.2  0.5 ! A.690  at 9.73e+06
assign (resid  85 and name  HD1 ) (resid  86 and name  HG1 )  4.0  2.2  1.0 ! A.604  at 5.90e+06

! E86
assign (resid  86 and name   HA ) (resid  86 and name  HG1 )  3.5  1.2  0.5 ! A.457  at 1.07e+07
assign (resid  86 and name  HB1 ) (resid  87 and name   HA )  4.0  2.2  1.0 ! A.541  at 6.70e+06

! A87
assign (resid  87 and name  HB# ) (resid  88 and name   HA )  4.5  2.2  2.5 ! A.675  at 4.63e+06

! Q88
assign (resid  88 and name  HG2 ) (resid  88 and name   HA )  2.5  0.7  0.4 ! A.241  at 1.82e+07
assign (resid  88 and name  HG1 ) (resid  88 and name   HA )  4.0  2.2  1.0 ! A.240  at 7.54e+06
assign (resid  88 and name  HG2 ) (resid  91 and name  HB# )  3.5  1.2  1.0 ! A.678  at 1.00e+07
assign (resid  88 and name  HG1 ) (resid  91 and name  HB# )  4.0  2.2  1.5 ! A.468  at 7.82e+06
assign (resid  88 and name   HA ) (resid  91 and name  HB# )  3.5  1.2  1.0 ! A.201  at 8.56e+06

! A89
assign (resid  89 and name   HA ) (resid  92 and name  HG1 )  4.5  2.2  2.0 ! A.479  at 5.07e+06

! A90
assign (resid  90 and name   HA ) (resid  93 and name  HG1 )  3.5  1.2  0.5 ! A.479  at 1.06e+07
assign (resid  90 and name   HA ) (resid  93 and name  HB1 )  2.5  0.7  0.4 ! A.519  at 1.67e+07

! A91

! E92
assign (resid  92 and name  HG1 ) (resid  95 and name  HD1 )  2.5  0.7  0.4 ! A.620  at 1.23e+07
assign (resid  92 and name   HA ) (resid  95 and name  HG1 )  3.5  1.2  0.5 ! A.159  at 1.17e+07

! Q93
assign (resid  93 and name   HA ) (resid  93 and name  HG1 )  3.5  1.2  0.5 ! A.478  at 1.04e+07
assign (resid  93 and name  HG1 ) (resid  94 and name HD1# )  3.5  1.2  1.0 ! A.461  at 1.07e+07
assign (resid  93 and name   HA ) (resid  97 and name   HA )  4.0  2.2  1.0 ! A.227  at 7.61e+06

! L94
assign (resid  94 and name HD1# ) (resid  94 and name   HA )  3.5  1.2  1.0 ! A.152  at 1.04e+07
assign (resid  94 and name  HB2 ) (resid  94 and name HD2# )  2.5  0.7  0.9 ! A.794  at 1.25e+07
assign (resid  94 and name  HB2 ) (resid  94 and name HD1# )  2.5  0.7  0.9 ! A.794  at 2.25e+07
assign (resid  94 and name  HB1 ) (resid  95 and name   HA )  4.0  2.2  1.0 ! A.244  at 5.63e+06
assign (resid  94 and name  HB2 ) (resid  95 and name  HG1 )  4.0  2.2  1.0 ! A.717  at 7.85e+06
assign (resid  94 and name   HG ) (resid  97 and name   HB )  4.0  2.2  1.0 ! A.124  at 7.09e+06
assign (resid  94 and name HD1# ) (resid  97 and name   HB )  3.5  1.2  1.0 ! A.125  at 1.13e+07

! K95
assign (resid  95 and name   HA ) (resid  95 and name  HG2 )  3.5  1.2  0.5 ! A.746  at 1.01e+07
assign (resid  95 and name  HE1 ) (resid  95 and name  HG2 )  2.5  0.7  0.4 ! A.747  at 4.43e+07
assign (resid  95 and name  HE1 ) (resid  95 and name   HA )  4.5  2.2  2.0 ! A.243  at 5.30e+06

! T96
assign (resid  96 and name HG2# ) (resid  96 and name   HA )  4.0  2.2  1.5 ! A.224  at 6.64e+06
assign (resid  96 and name   HA ) (resid  98 and name   HB )  4.0  1.2  1.0 ! A.221  at 9.29e+06  C
assign (resid  96 and name   HA ) (resid  99 and name  HB1 )  2.5  0.7  0.4 ! A.222  at 1.58e+07
assign (resid  96 and name HG2# ) (resid  99 and name  HG1 )  3.5  1.2  1.0 ! A.627  at 1.02e+07
assign (resid  96 and name   HA ) (resid  99 and name  HB2 )  2.5  0.7  0.4 ! A.223  at 1.22e+07

! T97

! I98
assign (resid  98 and name   HA ) (resid  98 and name HG2# )  3.5  1.2  1.0 ! A.776  at 1.07e+07
assign (resid  98 and name HG11 ) (resid  98 and name   HA )  4.0  2.2  1.0 ! A.286  at 8.23e+06
assign (resid  98 and name   HA ) (resid 101 and name  HB1 )  3.5  1.2  0.5 ! A.285  at 1.08e+07
assign (resid  98 and name   HB ) (resid 104 and name  HB1 )  4.0  2.2  1.0 ! A.603  at 6.54e+06
assign (resid  98 and name HG11 ) (resid 104 and name  HD1 )  2.5  0.7  0.4 ! A.743  at 1.62e+07

! R99
assign (resid  99 and name   HA ) (resid  99 and name  HD1 )  4.5  2.2  2.0 ! A.344  at 5.09e+06
assign (resid  99 and name  HD2 ) (resid  99 and name   HA )  4.0  1.2  1.0 ! A.202  at 9.59e+06 C
assign (resid  99 and name   HA ) (resid 103 and name  HG2 )  2.5  0.7  0.4 ! A.196  at 1.28e+07
assign (resid  99 and name  HG2 ) (resid 103 and name   HA )  3.5  1.2  0.5 ! A.211  at 1.03e+07
assign (resid  99 and name  HD2 ) (resid 103 and name  HG2 )  4.0  2.2  1.0 ! A.508  at 5.58e+06

! A100

! Y101
assign (resid 101 and name  HB2 ) (resid 104 and name   HA )  4.5  2.2  2.0 ! A.339  at 4.95e+06
assign (resid 101 and name  HB2 ) (resid 104 and name  HG2 )  4.5  2.2  2.0 ! A.342  at 4.38e+06
assign (resid 101 and name  HB2 ) (resid 104 and name  HB1 )  4.0  2.2  1.0 ! A.712  at 6.73e+06

! N102

! Q103
assign (resid 103 and name   HA ) (resid 103 and name  HG2 )  2.5  0.7  0.4 ! A.506  at 2.14e+07
assign (resid 103 and name   HA ) (resid 104 and name  HB1 )  3.5  1.2  0.5 ! A.653  at 1.08e+07

! K104
assign (resid 104 and name  HE1 ) (resid 104 and name   HA )  4.5  2.2  2.0 ! A.212  at 4.37e+06
assign (resid 104 and name  HE1 ) (resid 104 and name  HG2 )  2.5  0.7  0.4 ! A.850  at 1.76e+07
assign (resid 104 and name  HG1 ) (resid 104 and name  HE1 )  4.0  2.2  1.0 ! A.415  at 8.47e+06
assign (resid 104 and name  HG1 ) (resid 105 and name  HB1 )  4.5  2.2  2.0 ! A.783  at 4.56e+06
assign (resid 104 and name  HB1 ) (resid 105 and name  HB2 )  4.5  2.2  2.0 ! A.351  at 5.48e+06
assign (resid 104 and name  HB1 ) (resid 105 and name   HA )  4.0  2.2  1.0 ! A.6    at 6.72e+06
assign (resid 104 and name  HD2 ) (resid 105 and name   HA )  3.5  1.2  0.5 ! A.9    at 1.02e+07

! Y105
assign (resid 105 and name  HB1 ) (resid 106 and name  HA1 )  4.5  2.2  2.0 ! A.298  at 4.57e+06

! G106


!@ END_XPLR_NOE_FILE
! pck2xplr.nawk Table; Input File: ing28_noesy3C.PCK
!   Date: Wed Jan  7 09:08:21 EST 2004
!   Path: /home/fengh/My_xplor/ING28m
!
!@ BEGIN_XPLR_PCK_SUM
! LBL   File-Name                   All   Intra  Seq.  Short   Long
! A   ing28_noesy3C.PCK             563   231     95    135    102
!    Total                          563   231     95    135    102

!@ END_XPLR_PCK_SUM
!@ BEGIN_XPLR_NOE_FILE
!
! A1

! D2
assign (resid   2 and name   HA ) (resid   3 and name   HA )  4.0  2.2  1.0 ! A.1014 at 1.15e+05
assign (resid   2 and name   HA ) (resid   3 and name HD2# )  4.0  2.2  1.0 ! A.1017 at 1.40e+05
assign (resid   2 and name   HA ) (resid   4 and name   HN )  4.0  2.2  1.0 ! A.145  at 1.29e+05

! L3
assign (resid   3 and name   HA ) (resid   3 and name HD2# )  4.0  2.2  1.5 ! A.2301 at 1.13e+05
assign (resid   3 and name  HB1 ) (resid   3 and name HD2# )  3.5  1.2  1.0 ! A.2303 at 1.36e+05
assign (resid   3 and name HD1# ) (resid   3 and name  HB1 )  4.5  2.2  2.5 ! A.1841 at 5.35e+04
assign (resid   3 and name HD2# ) (resid   3 and name  HB2 )  2.5  0.7  0.9 ! A.1962 at 3.31e+05
assign (resid   3 and name   HA ) (resid   3 and name HD1# )  2.5  0.7  0.9 ! A.2091 at 5.89e+05
assign (resid   3 and name HD2# ) (resid   6 and name  HB1 )  4.0  2.2  1.5 ! A.2302 at 8.69e+04
assign (resid   3 and name   HA ) (resid   6 and name   HA )  4.5  2.2  2.0 ! A.1155 at 7.70e+00
assign (resid   3 and name HD2# ) (resid  43 and name   HA )  4.5  2.2  2.5 ! A.2263 at 6.44e+04
assign (resid   3 and name HD1# ) (resid  43 and name   HA )  4.0  2.2  1.5 ! A.2121 at 9.93e+04
assign (resid   3 and name HD1# ) (resid  44 and name   HN )  3.5  1.2  1.0 ! A.2096 at 1.22e+05
assign (resid   3 and name   HG ) (resid  44 and name   HN )  4.5  2.2  2.0 ! A.2018 at 5.98e+04
assign (resid   3 and name HD1# ) (resid  44 and name   HA )  4.0  2.2  1.5 ! A.2121 at 9.93e+04
assign (resid   3 and name HD1# ) (resid  45 and name   HA )  4.0  2.2  1.5 ! A.2121 at 9.93e+04

! E4
assign (resid   4 and name   HA ) (resid   4 and name  HG1 )  4.0  2.2  1.0 ! A.1535 at 1.06e+05
assign (resid   4 and name   HA ) (resid   6 and name   HN )  4.5  2.2  2.0 ! A.1079 at 7.33e+04
assign (resid   4 and name   HA ) (resid   7 and name  HD1 )  3.5  1.2  0.5 ! A.686  at 1.31e+05
assign (resid   4 and name   HA ) (resid   7 and name  HB1 )  4.5  2.2  2.0 ! A.1088 at 6.93e+04

! D5
assign (resid   5 and name   HA ) (resid   7 and name  HD1 )  4.5  2.2  2.0 ! A.679  at 4.82e+04
assign (resid   5 and name   HA ) (resid   7 and name  HB1 )  4.0  2.2  1.0 ! A.1038 at 1.16e+05
assign (resid   5 and name   HN ) (resid   7 and name  HB2 )  4.0  2.2  1.0 ! A.561  at 9.06e+04
assign (resid   5 and name   HA ) (resid   7 and name  HB2 )  4.0  2.2  1.0 ! A.1060 at 8.94e+04
assign (resid   5 and name   HA ) (resid   8 and name  HG1 )  4.0  2.2  1.0 ! A.1527 at 1.13e+05
assign (resid   5 and name   HA ) (resid   8 and name  HB1 )  2.5  0.7  0.4 ! A.1622 at 1.80e+05

! N6
assign (resid   6 and name HD22 ) (resid   6 and name   HN )  4.0  2.2  1.0 ! A.425  at 1.01e+05
assign (resid   6 and name  HB1 ) (resid   6 and name HD21 )  3.0  0.7  0.6 ! A.739  at 1.67e+05
assign (resid   6 and name   HN ) (resid   6 and name HD21 )  4.0  2.2  1.0 ! A.726  at 1.01e+05
assign (resid   6 and name HD21 ) (resid   6 and name   HA )  4.5  2.2  2.0 ! A.1058 at 5.17e+04
assign (resid   6 and name  HB1 ) (resid   7 and name   HA )  4.0  2.2  1.0 ! A.1564 at 1.15e+05
assign (resid   6 and name HD21 ) (resid   7 and name   HA )  2.5  0.7  0.4 ! A.736  at 1.76e+05
assign (resid   6 and name  HB1 ) (resid   7 and name  HD1 )  4.0  2.2  1.0 ! A.697  at 1.10e+05
assign (resid   6 and name  HB2 ) (resid   7 and name   HN )  4.0  2.2  1.0 ! A.1637 at 8.99e+04
assign (resid   6 and name HD22 ) (resid   7 and name  HD1 )  2.5  0.7  0.4 ! A.749  at 1.54e+05
assign (resid   6 and name   HA ) (resid   7 and name  HD1 )  4.5  2.2  2.0 ! A.1035 at 5.88e+04
assign (resid   6 and name  HB2 ) (resid   7 and name   HA )  4.5  2.2  2.0 ! A.1648 at 8.13e+04
assign (resid   6 and name  HB2 ) (resid  40 and name  HB# )  4.0  2.2  1.5 ! A.2316 at 9.48e+04
assign (resid   6 and name HD21 ) (resid  40 and name  HB# )  4.5  2.2  2.5 ! A.2307 at 5.89e+04
assign (resid   6 and name HD21 ) (resid  44 and name   HA )  4.0  2.2  1.0 ! A.732  at 1.06e+05
assign (resid   6 and name HD21 ) (resid  45 and name  HG1 )  4.5  2.2  2.0 ! A.1666 at 7.48e+04

! W7
assign (resid   7 and name   HN ) (resid   7 and name   HE )  2.5  0.7  0.4 ! A.545  at 1.91e+05
assign (resid   7 and name   HE ) (resid   7 and name   HA )  4.5  2.2  2.0 ! A.992  at 5.88e+04
assign (resid   7 and name   HA ) (resid   7 and name  HD1 )  2.5  0.7  0.4 ! A.696  at 2.67e+05
assign (resid   7 and name   HA ) (resid   7 and name  HE1 )  4.0  2.2  1.0 ! A.3    at 9.59e+04
assign (resid   7 and name   HN ) (resid   7 and name  HD1 )  4.5  2.2  2.0 ! A.669  at 8.29e+04
assign (resid   7 and name   HE ) (resid   7 and name  HB1 )  3.5  1.2  0.5 ! A.1290 at 1.26e+05
assign (resid   7 and name   HZ ) (resid   7 and name  HH2 )  2.5  0.7  0.4 ! A.828  at 2.53e+05
assign (resid   7 and name  HD1 ) (resid   7 and name  HB2 )  3.5  1.2  0.5 ! A.1305 at 1.34e+05
assign (resid   7 and name  HH2 ) (resid   7 and name  HZ2 )  2.5  0.7  0.4 ! A.509  at 5.09e+05
assign (resid   7 and name   HN ) (resid   8 and name  HB1 )  4.5  2.2  2.0 ! A.1624 at 4.14e+04
assign (resid   7 and name  HB2 ) (resid   8 and name   HA )  4.5  2.2  2.0 ! A.1113 at 4.23e+04
assign (resid   7 and name  HB2 ) (resid   8 and name  HB2 )  4.0  2.2  1.0 ! A.1319 at 1.05e+05
assign (resid   7 and name   HN ) (resid   9 and name   HN )  4.5  2.2  2.0 ! A.140  at 4.14e+04
assign (resid   7 and name   HA ) (resid   9 and name   HB )  4.0  2.2  1.0 ! A.980  at 8.97e+04
assign (resid   7 and name   HA ) (resid  10 and name HD2# )  3.5  1.2  1.0 ! A.2131 at 1.25e+05
assign (resid   7 and name   HA ) (resid  10 and name HD1# )  4.0  2.2  1.5 ! A.2180 at 1.09e+05
assign (resid   7 and name  HE1 ) (resid  10 and name HD2# )  4.5  2.2  2.5 ! A.2123 at 7.59e+04
assign (resid   7 and name   HA ) (resid  10 and name  HB2 )  4.0  2.2  1.0 ! A.2010 at 9.63e+04
assign (resid   7 and name   HA ) (resid  10 and name   HA )  4.5  2.2  2.0 ! A.989  at 8.47e+04
assign (resid   7 and name   HA ) (resid  10 and name  HB1 )  3.5  1.2  0.5 ! A.984  at 1.25e+05
assign (resid   7 and name  HE1 ) (resid  45 and name  HB2 )  4.5  2.2  2.0 ! A.1772 at 7.49e+04
assign (resid   7 and name  HE1 ) (resid  45 and name   HA )  4.5  2.2  2.0 ! A.4    at 5.76e+04
assign (resid   7 and name   HZ ) (resid  95 and name  HB1 )  4.0  2.2  1.0 ! A.674  at 1.11e+05
assign (resid   7 and name  HH2 ) (resid  98 and name   HA )  4.5  2.2  2.0 ! A.831  at 7.16e+04
assign (resid   7 and name  HE1 ) (resid  98 and name HG2# )  4.5  2.2  2.5 ! A.2123 at 6.59e+04
assign (resid   7 and name  HZ2 ) (resid  98 and name HG2# )  2.5  0.7  0.9 ! A.2098 at 2.49e+05
assign (resid   7 and name   HZ ) (resid  98 and name   HB )  4.0  2.2  1.0 ! A.667  at 8.93e+04
assign (resid   7 and name  HH2 ) (resid  99 and name  HB2 )  4.0  2.2  1.0 ! A.834  at 8.71e+04
assign (resid   7 and name  HH2 ) (resid  99 and name  HG2 )  4.5  2.2  2.0 ! A.836  at 7.21e+04
assign (resid   7 and name  HE1 ) (resid 104 and name  HB1 )  4.5  2.2  2.0 ! A.5    at 6.06e+04

! E8
assign (resid   8 and name   HA ) (resid   8 and name  HG1 )  3.5  1.2  0.5 ! A.1546 at 1.38e+05
assign (resid   8 and name   HA ) (resid   8 and name  HG2 )  2.5  0.7  0.4 ! A.1571 at 1.89e+05
assign (resid   8 and name  HB2 ) (resid  11 and name  HB1 )  4.0  2.2  1.0 ! A.1684 at 1.09e+05
assign (resid   8 and name  HB1 ) (resid  11 and name  HB1 )  4.0  2.2  1.0 ! A.1640 at 9.79e+04
assign (resid   8 and name  HG2 ) (resid  11 and name  HB1 )  3.5  1.2  0.5 ! A.1403 at 1.36e+05
assign (resid   8 and name  HB2 ) (resid  12 and name   HN )  4.5  2.2  2.0 ! A.1704 at 7.23e+04
assign (resid   8 and name   HA ) (resid  12 and name   HA )  4.5  2.2  2.0 ! A.1061 at 8.10e+04
assign (resid   8 and name   HA ) (resid  12 and name  HB2 )  4.5  2.2  2.0 ! A.1498 at 7.61e+04

! T9
assign (resid   9 and name   HA ) (resid   9 and name HG2# )  2.5  0.7  0.9 ! A.2087 at 2.96e+05
assign (resid   9 and name HG2# ) (resid  12 and name  HB2 )  4.5  2.2  2.5 ! A.2088 at 6.17e+04

! L10
assign (resid  10 and name   HN ) (resid  10 and name HD1# )  3.0  0.7  0.9 ! A.2179 at 2.62e+05
assign (resid  10 and name HD2# ) (resid  10 and name   HN )  4.5  2.2  2.5 ! A.233  at 6.72e+04
assign (resid  10 and name   HA ) (resid  10 and name HD2# )  4.5  2.2  2.5 ! A.2133 at 8.40e+04
assign (resid  10 and name   HA ) (resid  10 and name HD1# )  2.5  0.7  0.9 ! A.2160 at 1.71e+05
assign (resid  10 and name HD2# ) (resid  11 and name   HA )  4.5  2.2  2.5 ! A.1067 at 5.47e+04
assign (resid  10 and name   HN ) (resid  13 and name   HN )  4.5  2.2  2.0 ! A.404  at 7.33e+04
assign (resid  10 and name   HA ) (resid  13 and name   HA )  4.0  2.2  1.0 ! A.1130 at 1.06e+05
assign (resid  10 and name   HA ) (resid  33 and name   HA )  4.0  2.2  1.0 ! A.1195 at 1.06e+05
assign (resid  10 and name   HN ) (resid  36 and name  HB# )  4.0  2.2  1.5 ! A.1938 at 9.42e+04
assign (resid  10 and name HD1# ) (resid  40 and name  HB# )  2.5  0.7  1.4 ! A.2183 at 2.47e+05

! N11
assign (resid  11 and name   HA ) (resid  11 and name HD22 )  4.0  2.2  1.0 ! A.882  at 9.63e+04
assign (resid  11 and name  HB1 ) (resid  11 and name HD21 )  4.0  2.2  1.0 ! A.614  at 1.20e+05
assign (resid  11 and name  HB1 ) (resid  12 and name   HN )  2.5  0.7  0.4 ! A.13   at 1.84e+05
assign (resid  11 and name  HB2 ) (resid  12 and name   HN )  4.5  2.2  2.0 ! A.1463 at 5.52e+04
assign (resid  11 and name  HB1 ) (resid  12 and name  HB2 )  3.5  1.2  0.5 ! A.1408 at 1.42e+05
assign (resid  11 and name HD21 ) (resid  14 and name HD2# )  4.0  2.2  1.5 ! A.617  at 1.16e+05

! D12
assign (resid  12 and name   HN ) (resid  13 and name   HA )  4.5  2.2  2.0 ! A.1055 at 5.65e+04
assign (resid  12 and name   HA ) (resid  13 and name   HA )  4.0  2.2  1.0 ! A.1083 at 1.19e+05
assign (resid  12 and name   HN ) (resid  15 and name  HB1 )  4.0  2.2  1.0 ! A.1779 at 9.19e+04

! N13
assign (resid  13 and name   HA ) (resid  13 and name HD22 )  3.5  1.2  0.5 ! A.731  at 1.26e+05
assign (resid  13 and name   HA ) (resid  14 and name   HA )  4.5  2.2  2.0 ! A.1118 at 8.22e+04
assign (resid  13 and name   HA ) (resid  29 and name  HB# )  4.0  2.2  1.5 ! A.1937 at 1.17e+05
assign (resid  13 and name  HB1 ) (resid  29 and name   HA )  4.5  2.2  2.0 ! A.1453 at 7.69e+04
assign (resid  13 and name   HA ) (resid  33 and name   HA )  4.5  2.2  2.0 ! A.1059 at 7.07e+04
assign (resid  13 and name HD22 ) (resid  37 and name   HN )  4.5  2.2  2.0 ! A.194  at 5.74e+04

! L14
assign (resid  14 and name   HN ) (resid  14 and name  HB2 )  3.5  1.2  0.5 ! A.2040 at 1.27e+05
assign (resid  14 and name   HN ) (resid  14 and name HD2# )  2.5  0.7  0.9 ! A.2258 at 2.04e+05
assign (resid  14 and name   HA ) (resid  14 and name HD2# )  4.5  2.2  2.5 ! A.2259 at 8.31e+05
assign (resid  14 and name   HA ) (resid  14 and name HD1# )  4.5  2.2  2.5 ! A.2211 at 1.10e+06
assign (resid  14 and name HD2# ) (resid  15 and name   HN )  4.5  2.2  2.5 ! A.2224 at 7.61e+04
assign (resid  14 and name HD1# ) (resid  33 and name  HE# )  4.0  2.2  2.0 ! A.2221 at 1.09e+05
assign (resid  14 and name HD2# ) (resid  33 and name  HG1 )  3.0  0.7  0.9 ! A.2256 at 1.54e+05
assign (resid  14 and name HD1# ) (resid  93 and name   HN )  3.5  1.2  1.0 ! A.2243 at 1.26e+05

! K15
assign (resid  15 and name  HD1 ) (resid  15 and name   HN )  4.0  2.2  1.0 ! A.717  at 1.01e+05
assign (resid  15 and name  HE1 ) (resid  15 and name  HB1 )  4.0  2.2  1.0 ! A.1761 at 1.06e+05
assign (resid  15 and name  HB1 ) (resid  15 and name  HD1 )  2.5  0.7  0.4 ! A.1848 at 3.55e+05
assign (resid  15 and name  HE1 ) (resid  16 and name HG2# )  2.5  0.7  0.9 ! A.2186 at 2.45e+05
assign (resid  15 and name  HE1 ) (resid  16 and name HG1# )  4.0  2.2  1.5 ! A.2104 at 9.83e+04

! V16
assign (resid  16 and name HG1# ) (resid  16 and name   HN )  2.5  0.7  0.9 ! A.723  at 3.23e+05
assign (resid  16 and name HG1# ) (resid  16 and name   HA )  2.5  0.7  0.9 ! A.1266 at 3.88e+05
assign (resid  16 and name HG2# ) (resid  16 and name   HN )  2.5  0.7  0.9 ! A.724  at 2.27e+05
assign (resid  16 and name HG1# ) (resid  17 and name   HA )  4.0  2.2  1.5 ! A.2092 at 9.56e+04
assign (resid  16 and name HG2# ) (resid  19 and name   HN )  3.5  1.2  1.0 ! A.2188 at 1.39e+05
assign (resid  16 and name   HA ) (resid  19 and name   HA )  4.0  2.2  1.0 ! A.1247 at 9.40e+04
assign (resid  16 and name   HN ) (resid  29 and name  HB# )  4.0  2.2  1.5 ! A.1913 at 1.03e+05
assign (resid  16 and name   HB ) (resid  29 and name  HB# )  3.5  1.2  1.0 ! A.1900 at 1.49e+05

! I17
assign (resid  17 and name   HN ) (resid  17 and name HG2# )  2.5  0.7  0.9 ! A.2196 at 4.68e+05
assign (resid  17 and name HG2# ) (resid  17 and name   HA )  2.5  0.7  0.9 ! A.1316 at 2.03e+05
assign (resid  17 and name   HN ) (resid  17 and name HG11 )  2.5  0.7  0.4 ! A.1934 at 3.58e+05
assign (resid  17 and name   HA ) (resid  17 and name HG11 )  4.5  2.2  2.0 ! A.1935 at 5.21e+04
assign (resid  17 and name   HA ) (resid  18 and name   HA )  4.5  2.2  2.0 ! A.1308 at 8.09e+04
assign (resid  17 and name   HA ) (resid  88 and name  HG1 )  4.0  2.2  1.0 ! A.1547 at 1.04e+05

! E18
assign (resid  18 and name   HA ) (resid  88 and name  HG1 )  3.5  1.2  0.5 ! A.1556 at 1.27e+05
assign (resid  18 and name  HG2 ) (resid  95 and name  HE1 )  4.0  2.2  1.0 ! A.1590 at 1.11e+05

! K19
assign (resid  19 and name   HA ) (resid  19 and name  HE1 )  4.0  2.2  1.0 ! A.1407 at 1.20e+05
assign (resid  19 and name   HA ) (resid  19 and name  HD1 )  4.5  2.2  2.0 ! A.1887 at 7.76e+04
assign (resid  19 and name  HE1 ) (resid  19 and name  HB1 )  4.0  2.2  1.0 ! A.1761 at 1.06e+05
assign (resid  19 and name   HA ) (resid  20 and name   HA )  4.5  2.2  2.0 ! A.1120 at 7.26e+04
assign (resid  19 and name   HN ) (resid  21 and name   HN )  4.0  2.2  1.0 ! A.75   at 9.18e+04

! A20
assign (resid  20 and name   HA ) (resid  21 and name   HA )  4.5  2.2  2.0 ! A.989  at 6.47e+04
assign (resid  20 and name   HN ) (resid  26 and name HG2# )  4.0  2.2  1.5 ! A.2224 at 8.61e+04
assign (resid  20 and name  HB# ) (resid  26 and name   HA )  2.5  0.7  0.9 ! A.1951 at 1.55e+05
assign (resid  20 and name   HN ) (resid  88 and name  HG1 )  4.5  2.2  2.0 ! A.705  at 8.44e+04

! D21
assign (resid  21 and name   HA ) (resid  22 and name   HA )  4.5  2.2  2.0 ! A.988  at 6.45e+04
assign (resid  21 and name  HB2 ) (resid  22 and name   HA )  4.5  2.2  2.0 ! A.968  at 5.91e+04
assign (resid  21 and name  HB2 ) (resid  22 and name  HB2 )  4.0  2.2  1.0 ! A.1408 at 9.62e+04
assign (resid  21 and name  HB1 ) (resid  25 and name HE22 )  4.5  2.2  2.0 ! A.1444 at 5.56e+04
assign (resid  21 and name   HA ) (resid  84 and name HG1# )  4.0  2.2  1.5 ! A.2233 at 1.18e+05
assign (resid  21 and name   HA ) (resid  88 and name HE22 )  4.5  2.2  2.0 ! A.987  at 5.10e+04

! N22
assign (resid  22 and name   HA ) (resid  23 and name   HN )  2.5  0.7  0.4 ! A.29   at 2.57e+05
assign (resid  22 and name  HB2 ) (resid  23 and name   HN )  4.5  2.2  2.0 ! A.1416 at 8.13e+04
assign (resid  22 and name   HA ) (resid  23 and name  HB# )  4.0  2.2  1.5 ! A.1955 at 9.94e+04
assign (resid  22 and name HD22 ) (resid  25 and name HE22 )  4.0  2.2  1.0 ! A.785  at 8.69e+04
assign (resid  22 and name  HB2 ) (resid  25 and name HE21 )  4.0  2.2  1.0 ! A.656  at 9.79e+04
assign (resid  22 and name   HN ) (resid  26 and name   HN )  4.5  2.2  2.0 ! A.743  at 7.16e+04
assign (resid  22 and name   HA ) (resid  84 and name HG2# )  4.5  2.2  2.5 ! A.2262 at 6.33e+04
assign (resid  22 and name   HA ) (resid  84 and name HG1# )  4.5  2.2  2.5 ! A.2226 at 6.33e+04

! A23
assign (resid  23 and name  HB# ) (resid  24 and name   HN )  3.5  1.2  1.0 ! A.1938 at 1.42e+05
assign (resid  23 and name   HN ) (resid  26 and name HG2# )  4.0  2.2  1.5 ! A.2222 at 8.67e+04
assign (resid  23 and name   HA ) (resid  26 and name HG2# )  2.5  0.7  0.9 ! A.2220 at 3.07e+05
assign (resid  23 and name   HN ) (resid  84 and name   HB )  4.5  2.2  2.0 ! A.1730 at 7.27e+04
assign (resid  23 and name   HA ) (resid  84 and name   HA )  4.5  2.2  2.0 ! A.1175 at 4.64e+04
assign (resid  23 and name   HA ) (resid  84 and name HG1# )  4.0  2.2  1.5 ! A.2220 at 1.07e+05

! A24
assign (resid  24 and name   HN ) (resid  25 and name HE21 )  4.5  2.2  2.0 ! A.648  at 6.14e+04
assign (resid  24 and name   HN ) (resid  25 and name HE22 )  4.0  2.2  1.0 ! A.780  at 9.25e+04
assign (resid  24 and name   HN ) (resid  26 and name HG2# )  4.0  2.2  1.5 ! A.2195 at 9.56e+04
assign (resid  24 and name   HA ) (resid  26 and name   HN )  4.0  2.2  1.0 ! A.758  at 1.02e+05

! Q25
assign (resid  25 and name  HB1 ) (resid  25 and name   HN )  3.5  1.2  0.5 ! A.367  at 1.22e+05
assign (resid  25 and name   HA ) (resid  25 and name  HG1 )  2.5  0.7  0.4 ! A.1596 at 2.98e+05
assign (resid  25 and name   HA ) (resid  26 and name   HA )  4.5  2.2  2.0 ! A.1119 at 4.64e+04
assign (resid  25 and name   HN ) (resid  27 and name   HN )  4.0  2.2  1.0 ! A.71   at 1.07e+05
assign (resid  25 and name   HA ) (resid  28 and name   HA )  4.5  2.2  2.0 ! A.1121 at 7.87e+04

! V26
assign (resid  26 and name   HA ) (resid  26 and name HG1# )  2.5  0.7  0.9 ! A.2103 at 1.85e+05
assign (resid  26 and name HG1# ) (resid  27 and name   HA )  2.5  0.7  0.9 ! A.2136 at 1.83e+05
assign (resid  26 and name   HA ) (resid  27 and name   HA )  4.5  2.2  2.0 ! A.1196 at 7.54e+04
assign (resid  26 and name   HA ) (resid  29 and name  HB# )  4.0  2.2  1.5 ! A.1898 at 1.20e+05

! K27
assign (resid  27 and name   HA ) (resid  27 and name  HG1 )  3.5  1.2  0.5 ! A.1977 at 1.21e+05
assign (resid  27 and name  HE1 ) (resid  27 and name  HG1 )  3.5  1.2  0.5 ! A.1943 at 1.22e+05
assign (resid  27 and name   HA ) (resid  28 and name   HA )  4.5  2.2  2.0 ! A.1194 at 5.01e+04
assign (resid  27 and name   HA ) (resid  30 and name   HG )  4.0  2.2  1.0 ! A.1798 at 1.05e+05
assign (resid  27 and name   HA ) (resid  76 and name   HA )  4.5  2.2  2.0 ! A.1174 at 5.22e+04

! D28
assign (resid  28 and name   HA ) (resid  29 and name   HA )  4.0  2.2  1.0 ! A.1111 at 1.01e+05
assign (resid  28 and name  HB1 ) (resid  29 and name   HA )  4.5  2.2  2.0 ! A.1476 at 5.19e+04
assign (resid  28 and name   HA ) (resid  31 and name   HB )  2.5  0.7  0.4 ! A.1102 at 2.35e+05
assign (resid  28 and name   HA ) (resid  31 and name HG2# )  3.5  1.2  1.0 ! A.2059 at 1.41e+05

! A29
assign (resid  29 and name   HN ) (resid  31 and name   HN )  4.0  2.2  1.0 ! A.546  at 1.11e+05
assign (resid  29 and name   HA ) (resid  31 and name   HB )  4.5  2.2  2.0 ! A.1115 at 7.42e+04
assign (resid  29 and name   HA ) (resid  32 and name  HG2 )  2.5  0.7  0.4 ! A.1987 at 1.83e+05

! L30
assign (resid  30 and name   HA ) (resid  30 and name HD2# )  2.5  0.7  0.9 ! A.2273 at 2.62e+05
assign (resid  30 and name  HB1 ) (resid  30 and name HD2# )  2.5  0.7  0.9 ! A.2278 at 6.57e+05
assign (resid  30 and name   HA ) (resid  30 and name   HG )  2.5  0.7  0.4 ! A.1808 at 3.77e+05
assign (resid  30 and name HD2# ) (resid  33 and name   HN )  3.5  1.2  1.0 ! A.2269 at 1.29e+05
assign (resid  30 and name HD2# ) (resid  33 and name  HE# )  4.0  2.2  2.0 ! A.2276 at 9.37e+04
assign (resid  30 and name  HB1 ) (resid  34 and name  HD1 )  4.0  2.2  1.0 ! A.1694 at 1.13e+05
assign (resid  30 and name HD2# ) (resid  72 and name   HA )  3.5  1.2  1.0 ! A.2274 at 1.40e+05
assign (resid  30 and name HD2# ) (resid  75 and name   HN )  4.0  2.2  1.5 ! A.2271 at 1.09e+05
assign (resid  30 and name HD2# ) (resid  76 and name   HN )  3.5  1.2  1.0 ! A.2265 at 1.25e+05
assign (resid  30 and name  HB2 ) (resid  76 and name   HN )  4.5  2.2  2.0 ! A.2044 at 5.61e+04

! T31
assign (resid  31 and name   HA ) (resid  31 and name HG2# )  2.5  0.7  0.9 ! A.2066 at 4.03e+05
assign (resid  31 and name   HB ) (resid  32 and name   HA )  4.5  2.2  2.0 ! A.1125 at 8.21e+04
assign (resid  31 and name   HA ) (resid  32 and name   HA )  4.5  2.2  2.0 ! A.1195 at 5.56e+04
assign (resid  31 and name HG2# ) (resid  34 and name   HN )  4.0  2.2  1.5 ! A.2064 at 1.06e+05

! K32
assign (resid  32 and name  HZ# ) (resid  32 and name   HN )  4.0  2.2  1.5 ! A.473  at 1.05e+05
assign (resid  32 and name   HA ) (resid  32 and name  HG2 )  4.5  2.2  2.0 ! A.1985 at 2.08e+06

! M33
assign (resid  33 and name   HA ) (resid  33 and name  HG1 )  4.5  2.2  2.0 ! A.1611 at 6.58e+04

! R34
assign (resid  34 and name   HN ) (resid  34 and name  HD1 )  4.5  2.2  2.0 ! A.1364 at 7.77e+04
assign (resid  34 and name HH1# ) (resid  34 and name  HD2 )  4.5  2.2  2.5 ! A.1490 at 6.85e+04
assign (resid  34 and name HH1# ) (resid  34 and name  HG1 )  4.5  2.2  2.5 ! A.1790 at 5.51e+04
assign (resid  34 and name   HA ) (resid  34 and name  HD1 )  4.5  2.2  2.0 ! A.1365 at 6.18e+04
assign (resid  34 and name  HD1 ) (resid  34 and name HH1# )  3.5  1.2  1.0 ! A.867  at 1.37e+05
assign (resid  34 and name  HD2 ) (resid  34 and name  HB1 )  3.5  1.2  0.5 ! A.1751 at 1.45e+05
assign (resid  34 and name  HG1 ) (resid  34 and name   HA )  2.5  0.7  0.4 ! A.1239 at 1.85e+05
assign (resid  34 and name   HA ) (resid  35 and name   HA )  4.5  2.2  2.0 ! A.1227 at 6.95e+04
assign (resid  34 and name  HB1 ) (resid  35 and name  HB2 )  3.5  1.2  0.5 ! A.2015 at 1.49e+05
assign (resid  34 and name   HE ) (resid  37 and name  HB# )  4.0  2.2  1.5 ! A.2002 at 9.53e+04
assign (resid  34 and name   HA ) (resid  37 and name  HB# )  2.5  0.7  0.9 ! A.1232 at 1.51e+05
assign (resid  34 and name   HE ) (resid  69 and name HG1# )  4.5  2.2  2.5 ! A.2117 at 5.70e+04
assign (resid  34 and name HH1# ) (resid  70 and name   HN )  4.5  2.2  2.5 ! A.865  at 5.48e+04
assign (resid  34 and name   HE ) (resid  72 and name HG2# )  2.5  0.7  0.9 ! A.2246 at 3.11e+05
assign (resid  34 and name HH1# ) (resid  72 and name HG2# )  2.5  0.7  1.4 ! A.2253 at 2.52e+05
assign (resid  34 and name   HE ) (resid  73 and name   HA )  4.5  2.2  2.0 ! A.1043 at 5.16e+04
assign (resid  34 and name HH1# ) (resid  73 and name   HA )  4.5  2.2  2.5 ! A.1046 at 6.06e+04
assign (resid  34 and name  HD1 ) (resid  76 and name HD1# )  4.0  2.2  1.5 ! A.2170 at 9.48e+04

! A35

! A36

! A37
assign (resid  37 and name   HA ) (resid  40 and name  HB# )  4.5  2.2  2.5 ! A.1215 at 8.07e+04
assign (resid  37 and name   HA ) (resid  65 and name  HE2 )  4.5  2.2  2.0 ! A.948  at 7.82e+04

! L38
assign (resid  38 and name   HA ) (resid  38 and name HD2# )  2.5  0.7  0.9 ! A.2208 at 2.36e+05
assign (resid  38 and name   HA ) (resid  38 and name HD1# )  3.5  1.2  1.0 ! A.2208 at 1.36e+05
assign (resid  38 and name  HB1 ) (resid  38 and name HD1# )  4.5  2.2  2.5 ! A.2201 at 1.15e+06
assign (resid  38 and name   HA ) (resid  40 and name  HB# )  4.5  2.2  2.5 ! A.2312 at 8.47e+04
assign (resid  38 and name   HA ) (resid  41 and name   HA )  4.5  2.2  2.0 ! A.1324 at 4.79e+04
assign (resid  38 and name HD2# ) (resid  41 and name  HG1 )  4.0  2.2  1.5 ! A.2221 at 1.09e+05
assign (resid  38 and name   HG ) (resid  69 and name   HB )  4.0  2.2  1.0 ! A.1926 at 9.96e+04

! D39
assign (resid  39 and name   HN ) (resid  39 and name  HB1 )  2.5  0.7  0.4 ! A.1555 at 2.12e+05
assign (resid  39 and name  HB1 ) (resid  40 and name  HB# )  4.0  2.2  1.5 ! A.2315 at 1.10e+05

! A40
assign (resid  40 and name  HB# ) (resid  41 and name  HB2 )  4.5  2.2  2.5 ! A.2317 at 5.88e+04
assign (resid  40 and name  HB# ) (resid  43 and name   HN )  4.5  2.2  2.5 ! A.2306 at 7.68e+04
assign (resid  40 and name  HB# ) (resid  65 and name   HZ )  4.5  2.2  2.5 ! A.2310 at 5.46e+04
assign (resid  40 and name  HB# ) (resid  65 and name  HE2 )  4.0  2.2  1.5 ! A.2311 at 1.03e+05
assign (resid  40 and name  HB# ) (resid  65 and name  HD2 )  4.5  2.2  2.5 ! A.892  at 7.02e+04

! Q41
assign (resid  41 and name   HA ) (resid  41 and name  HG2 )  4.5  2.2  2.0 ! A.1659 at 7.82e+04
assign (resid  41 and name  HG1 ) (resid  41 and name   HA )  4.5  2.2  2.0 ! A.1336 at 7.00e+04
assign (resid  41 and name HE21 ) (resid  41 and name  HB1 )  2.5  0.7  0.4 ! A.1711 at 1.76e+05
assign (resid  41 and name HE21 ) (resid  42 and name  HG1 )  4.5  2.2  2.0 ! A.1932 at 8.46e+04
assign (resid  41 and name  HB1 ) (resid  42 and name   HN )  4.5  2.2  2.0 ! A.1722 at 7.22e+04
assign (resid  41 and name  HB1 ) (resid  42 and name   HA )  4.0  2.2  1.0 ! A.1719 at 1.19e+05
assign (resid  41 and name  HB1 ) (resid  61 and name  HD1 )  4.5  2.2  1.5 ! A.916  at 1.16e+05
assign (resid  41 and name HE22 ) (resid  61 and name  HD1 )  4.0  2.2  1.0 ! A.901  at 1.06e+05
assign (resid  41 and name  HG2 ) (resid  61 and name  HD1 )  4.0  2.2  1.0 ! A.915  at 9.75e+04
assign (resid  41 and name  HG1 ) (resid  62 and name  HD2 )  4.0  2.2  1.0 ! A.1405 at 1.39e+05
assign (resid  41 and name   HN ) (resid  65 and name  HD2 )  4.0  2.2  1.0 ! A.857  at 1.06e+05

! K42
assign (resid  42 and name   HA ) (resid  42 and name  HE1 )  4.5  2.2  2.0 ! A.1409 at 6.61e+04
assign (resid  42 and name  HB1 ) (resid  42 and name   HN )  3.0  0.7  0.6 ! A.816  at 2.53e+05 C
assign (resid  42 and name   HA ) (resid  42 and name  HD1 )  4.0  2.2  1.0 ! A.1865 at 1.45e+05
assign (resid  42 and name  HE1 ) (resid  42 and name  HB1 )  3.5  1.2  0.5 ! A.1761 at 1.26e+05
assign (resid  42 and name   HN ) (resid  65 and name   HZ )  4.5  2.2  2.0 ! A.810  at 5.53e+04

! A43
assign (resid  43 and name   HA ) (resid  44 and name   HA )  4.0  2.2  1.0 ! A.1071 at 1.14e+05

! T44
assign (resid  44 and name HG2# ) (resid  61 and name  HE1 )  3.5  1.2  1.0 ! A.2085 at 1.42e+05
assign (resid  44 and name   HA ) (resid 104 and name  HG1 )  4.5  2.2  2.0 ! A.2132 at 8.47e+04

! P45
assign (resid  45 and name   HA ) (resid  45 and name  HG1 )  2.5  0.7  0.4 ! A.1713 at 1.65e+05
assign (resid  45 and name  HD1 ) (resid  45 and name  HB1 )  4.5  2.2  2.0 ! A.1635 at 7.89e+04
assign (resid  45 and name  HD2 ) (resid  45 and name  HB2 )  2.5  0.7  0.4 ! A.1771 at 2.20e+05
assign (resid  45 and name  HB1 ) (resid  45 and name  HD2 )  3.5  1.2  0.5 ! A.1147 at 1.23e+05
assign (resid  45 and name  HB2 ) (resid  45 and name  HD1 )  3.5  1.2  0.5 ! A.1149 at 1.29e+05
assign (resid  45 and name   HA ) (resid  46 and name   HA )  4.5  2.2  2.0 ! A.1086 at 8.34e+04
assign (resid  45 and name   HA ) (resid 103 and name HE22 )  4.5  2.2  2.0 ! A.1104 at 6.76e+04

! P46
assign (resid  46 and name   HA ) (resid  46 and name  HD1 )  4.5  2.2  2.0 ! A.1140 at 6.14e+04
assign (resid  46 and name   HA ) (resid  46 and name  HG2 )  3.5  1.2  0.5 ! A.1662 at 1.35e+05
assign (resid  46 and name   HA ) (resid  46 and name  HG1 )  3.5  1.2  0.5 ! A.1662 at 1.25e+05
assign (resid  46 and name  HG2 ) (resid  48 and name HD2# )  4.5  2.2  2.5 ! A.2294 at 7.33e+04
assign (resid  46 and name  HG1 ) (resid 105 and name   HA )  3.5  1.2  0.5 ! A.976  at 1.46e+05

! K47
assign (resid  47 and name  HB1 ) (resid  47 and name  HD1 )  3.5  1.2  0.5 ! A.1848 at 1.45e+05
assign (resid  47 and name  HD1 ) (resid  50 and name   HA )  2.5  0.7  0.4 ! A.1840 at 3.08e+05

! L48
assign (resid  48 and name   HA ) (resid  48 and name HD2# )  2.5  0.7  0.9 ! A.2291 at 1.99e+05
assign (resid  48 and name   HA ) (resid  48 and name HD1# )  2.5  0.7  0.9 ! A.2205 at 3.07e+05
assign (resid  48 and name  HB1 ) (resid  48 and name HD2# )  2.5  0.7  0.9 ! A.2295 at 4.30e+05
assign (resid  48 and name HD2# ) (resid  48 and name   HN )  3.5  1.2  1.0 ! A.496  at 1.38e+05
assign (resid  48 and name  HB2 ) (resid  48 and name HD1# )  2.5  0.7  0.9 ! A.2207 at 1.73e+05
assign (resid  48 and name  HB2 ) (resid  48 and name HD2# )  2.5  0.7  0.9 ! A.2296 at 2.57e+05
assign (resid  48 and name HD1# ) (resid  58 and name  HG1 )  4.0  2.2  1.5 ! A.2178 at 1.11e+05
assign (resid  48 and name   HA ) (resid  61 and name   HZ )  4.0  2.2  1.0 ! A.1036 at 9.32e+04
assign (resid  48 and name HD2# ) (resid  61 and name  HB1 )  2.5  0.7  0.9 ! A.2292 at 2.37e+05
assign (resid  48 and name HD2# ) (resid  61 and name   HN )  4.5  2.2  2.5 ! A.2270 at 7.98e+04
assign (resid  48 and name HD2# ) (resid  61 and name  HE2 )  3.5  1.2  1.0 ! A.2288 at 1.24e+05
assign (resid  48 and name   HG ) (resid  61 and name  HD1 )  4.0  2.2  1.0 ! A.910  at 1.01e+05
assign (resid  48 and name HD2# ) (resid  61 and name  HD2 )  4.0  2.2  1.5 ! A.2290 at 1.00e+05
assign (resid  48 and name HD2# ) (resid  61 and name  HB2 )  4.5  2.2  2.5 ! A.2275 at 7.93e+04
assign (resid  48 and name  HB1 ) (resid  61 and name  HE1 )  4.0  2.2  1.0 ! A.687  at 1.18e+05
assign (resid  48 and name  HB2 ) (resid  61 and name  HE1 )  3.5  1.2  0.5 ! A.658  at 1.25e+05
assign (resid  48 and name   HG ) (resid  61 and name  HB1 )  2.5  0.7  0.4 ! A.1350 at 2.08e+05
assign (resid  48 and name   HN ) (resid  65 and name  HE1 )  4.5  2.2  2.0 ! A.940  at 5.74e+04
assign (resid  48 and name HD2# ) (resid 105 and name  HE2 )  4.0  2.2  1.5 ! A.2289 at 1.08e+05
assign (resid  48 and name HD2# ) (resid 105 and name  HB2 )  4.5  2.2  2.5 ! A.2293 at 7.64e+04
assign (resid  48 and name HD2# ) (resid 105 and name  HB1 )  4.0  2.2  1.5 ! A.1294 at 1.17e+05

! E49
assign (resid  49 and name  HB# ) (resid  50 and name   HA )  4.0  2.2  1.5 ! A.1001 at 1.27e+05
assign (resid  49 and name  HB# ) (resid  52 and name   HA )  4.5  2.2  2.5 ! A.1648 at 7.73e+04

! D50
assign (resid  50 and name   HA ) (resid  51 and name  HB1 )  4.0  2.2  1.0 ! A.1003 at 1.04e+05
assign (resid  50 and name  HB1 ) (resid  51 and name  HD1 )  4.0  2.2  1.0 ! A.1441 at 8.53e+04

! K51
assign (resid  51 and name   HN ) (resid  51 and name  HG2 )  4.0  2.2  1.0 ! A.2056 at 1.14e+05
assign (resid  51 and name   HA ) (resid  51 and name  HD1 )  4.0  2.2  1.0 ! A.1887 at 8.76e+04
assign (resid  51 and name  HD1 ) (resid  51 and name  HB1 )  2.5  0.7  0.4 ! A.1762 at 6.86e+05
assign (resid  51 and name  HG2 ) (resid  52 and name   HA )  3.5  1.2  0.5 ! A.1004 at 1.28e+05
assign (resid  51 and name   HN ) (resid  52 and name   HA )  4.0  2.2  1.0 ! A.978  at 1.06e+05
assign (resid  51 and name  HB2 ) (resid  52 and name   HA )  4.5  2.2  2.0 ! A.1783 at 8.14e+04
assign (resid  51 and name  HG1 ) (resid  52 and name   HA )  4.0  2.2  1.0 ! A.2010 at 8.63e+04
assign (resid  51 and name  HG2 ) (resid  53 and name  HD1 )  2.5  0.7  0.4 ! A.2060 at 3.61e+05
assign (resid  51 and name   HN ) (resid  53 and name   HA )  4.5  2.2  2.0 ! A.1079 at 7.33e+04
assign (resid  51 and name  HG1 ) (resid  53 and name   HA )  4.0  2.2  1.0 ! A.1987 at 1.02e+05
assign (resid  51 and name   HA ) (resid  53 and name  HD1 )  4.5  2.2  2.0 ! A.1053 at 5.52e+04
assign (resid  51 and name  HG2 ) (resid  53 and name  HB1 )  4.5  2.2  2.0 ! A.2061 at 5.39e+04

! S52
assign (resid  52 and name   HA ) (resid  53 and name  HB2 )  4.5  2.2  2.0 ! A.993  at 1.17e+05
assign (resid  52 and name  HB1 ) (resid  53 and name  HD1 )  4.0  2.2  1.0 ! A.1157 at 1.04e+05
assign (resid  52 and name  HB2 ) (resid  53 and name  HD1 )  4.0  1.2  1.0 ! A.1134 at 1.36e+05 C
assign (resid  52 and name   HA ) (resid  54 and name   HN )  4.5  2.2  2.0 ! A.995  at 7.79e+04
assign (resid  52 and name   HA ) (resid  54 and name   HA )  4.5  2.2  2.0 ! A.979  at 3.76e+06

! P53
assign (resid  53 and name  HD1 ) (resid  53 and name   HA )  4.5  2.2  2.0 ! A.1103 at 7.48e+04
assign (resid  53 and name  HD1 ) (resid  53 and name  HB1 )  4.0  2.2  1.0 ! A.1587 at 9.00e+04
assign (resid  53 and name  HB2 ) (resid  54 and name   HA )  4.0  2.2  1.0 ! A.993  at 1.01e+05

! D54
assign (resid  54 and name   HN ) (resid  55 and name   HA )  4.5  2.2  2.0 ! A.368  at 7.55e+04
assign (resid  54 and name   HA ) (resid  55 and name  HB1 )  4.0  2.2  1.0 ! A.980  at 1.07e+05
assign (resid  54 and name   HA ) (resid  56 and name   HD )  2.5  0.7  0.4 ! A.981  at 1.82e+05
assign (resid  54 and name   HA ) (resid  57 and name  HB2 )  4.5  2.2  2.0 ! A.977  at 7.52e+04

! S55
assign (resid  55 and name   HA ) (resid  56 and name  HD1 )  4.0  2.2  1.0 ! A.1155 at 1.00e+05

! P56
assign (resid  56 and name   HA ) (resid  56 and name  HG1 )  4.0  2.2  1.0 ! A.1713 at 1.05e+05
assign (resid  56 and name  HD1 ) (resid  56 and name  HB1 )  4.0  2.2  1.0 ! A.1587 at 9.00e+04
assign (resid  56 and name  HD2 ) (resid  56 and name  HB2 )  2.5  0.7  0.4 ! A.1771 at 2.20e+05

! E57
assign (resid  57 and name   HA ) (resid  58 and name   HA )  4.5  2.2  2.0 ! A.1033 at 4.53e+04
assign (resid  57 and name  HG1 ) (resid  60 and name  HB2 )  2.5  0.7  0.4 ! A.1530 at 3.12e+05
assign (resid  57 and name  HG1 ) (resid  60 and name  HB1 )  4.0  2.2  1.0 ! A.1530 at 1.12e+05

! M58
assign (resid  58 and name   HN ) (resid  58 and name  HG2 )  4.5  2.2  2.0 ! A.1617 at 7.32e+04
assign (resid  58 and name   HA ) (resid  59 and name   HA )  4.0  2.2  1.0 ! A.1008 at 8.93e+04
assign (resid  58 and name   HA ) (resid  61 and name  HB2 )  2.5  0.7  0.4 ! A.1500 at 1.53e+05

! K59
assign (resid  59 and name   HA ) (resid  59 and name  HD2 )  2.5  0.7  0.4 ! A.1883 at 1.56e+05
assign (resid  59 and name   HA ) (resid  59 and name  HE1 )  3.5  1.2  0.5 ! A.1402 at 1.21e+05
assign (resid  59 and name  HB1 ) (resid  59 and name  HD2 )  4.5  2.2  2.0 ! A.1884 at 1.01e+06
assign (resid  59 and name   HA ) (resid  60 and name   HA )  4.0  2.2  1.0 ! A.1008 at 8.93e+04
assign (resid  59 and name   HN ) (resid  61 and name   HN )  4.0  2.2  1.0 ! A.261  at 9.81e+04
assign (resid  59 and name   HA ) (resid  61 and name  HB1 )  4.5  2.2  2.0 ! A.1360 at 6.75e+04

! D60
assign (resid  60 and name   HA ) (resid  61 and name  HB1 )  4.5  2.2  2.0 ! A.1358 at 8.01e+04
assign (resid  60 and name   HA ) (resid  63 and name  HD2 )  4.5  2.2  2.0 ! A.1020 at 8.16e+04
assign (resid  60 and name   HN ) (resid  63 and name   HN )  4.5  2.2  2.0 ! A.214  at 5.47e+04

! F61
assign (resid  61 and name   HZ ) (resid  61 and name  HB1 )  4.5  2.2  2.0 ! A.1357 at 4.60e+04
assign (resid  61 and name   HN ) (resid  61 and name  HD2 )  4.5  2.2  2.0 ! A.898  at 8.06e+04
assign (resid  61 and name  HE1 ) (resid  61 and name  HB1 )  4.0  2.2  1.0 ! A.1328 at 1.09e+05
assign (resid  61 and name  HD1 ) (resid  61 and name  HB1 )  2.5  0.7  0.4 ! A.1356 at 1.86e+05
assign (resid  61 and name   HA ) (resid  61 and name  HE2 )  4.0  2.2  1.0 ! A.680  at 8.66e+04
assign (resid  61 and name   HA ) (resid  61 and name  HD2 )  2.5  0.7  0.4 ! A.905  at 1.93e+05
assign (resid  61 and name  HB2 ) (resid  61 and name  HE2 )  4.5  2.2  2.0 ! A.682  at 5.00e+04
assign (resid  61 and name  HB2 ) (resid  61 and name  HD2 )  2.5  0.7  0.4 ! A.908  at 1.73e+05
assign (resid  61 and name  HD1 ) (resid  65 and name   HZ )  4.5  2.2  2.0 ! A.913  at 7.33e+04
assign (resid  61 and name   HZ ) (resid 104 and name  HD2 )  4.0  2.2  1.0 ! A.951  at 1.09e+05
assign (resid  61 and name   HZ ) (resid 105 and name   HA )  4.5  2.2  2.0 ! A.946  at 8.42e+05

! R62
assign (resid  62 and name   HA ) (resid  62 and name   HE )  4.0  2.2  1.0 ! A.580  at 8.68e+04
assign (resid  62 and name  HG2 ) (resid  62 and name   HA )  4.0  2.2  1.0 ! A.1185 at 1.01e+05
assign (resid  62 and name   HA ) (resid  63 and name   HA )  4.5  2.2  2.0 ! A.1022 at 7.95e+04
assign (resid  62 and name   HN ) (resid  64 and name   HN )  4.0  2.2  1.0 ! A.290  at 1.20e+05
assign (resid  62 and name   HN ) (resid  65 and name  HD1 )  4.5  2.2  2.0 ! A.893  at 8.34e+04
assign (resid  62 and name   HN ) (resid  65 and name   HN )  4.0  2.2  1.0 ! A.780  at 9.25e+04
assign (resid  62 and name   HA ) (resid  65 and name  HD1 )  3.5  1.2  0.5 ! A.866  at 1.21e+05
assign (resid  62 and name   HA ) (resid  66 and name   HA )  4.0  2.2  1.0 ! A.1188 at 1.13e+05

! H63
assign (resid  63 and name   HN ) (resid  63 and name  HD2 )  4.5  2.2  2.0 ! A.640  at 6.63e+04
assign (resid  63 and name  HD2 ) (resid  63 and name   HA )  4.0  2.2  1.0 ! A.1026 at 1.08e+05
assign (resid  63 and name  HB1 ) (resid  63 and name  HD2 )  2.5  0.7  0.4 ! A.644  at 1.61e+05
assign (resid  63 and name  HB2 ) (resid  63 and name  HD2 )  4.0  2.2  1.0 ! A.645  at 1.18e+05
assign (resid  63 and name  HB1 ) (resid  63 and name  HE1 )  4.5  2.2  2.0 ! A.467  at 4.88e+04
assign (resid  63 and name   HA ) (resid  66 and name   HA )  4.5  2.2  2.0 ! A.1007 at 6.34e+04
assign (resid  63 and name   HA ) (resid  67 and name   HA )  4.5  2.2  2.0 ! A.1028 at 8.14e+04

! G64

! F65
assign (resid  65 and name   HN ) (resid  65 and name  HE1 )  4.0  2.2  1.0 ! A.942  at 1.02e+05
assign (resid  65 and name  HD1 ) (resid  65 and name  HB1 )  4.5  2.2  2.0 ! A.1434 at 7.98e+04
assign (resid  65 and name  HD1 ) (resid  65 and name   HZ )  4.0  2.2  1.0 ! A.926  at 1.14e+05
assign (resid  65 and name  HD2 ) (resid  65 and name  HB2 )  4.5  2.2  2.0 ! A.1510 at 7.90e+04
assign (resid  65 and name   HA ) (resid  65 and name  HD2 )  2.5  0.7  0.4 ! A.890  at 1.93e+05
assign (resid  65 and name   HA ) (resid  65 and name  HE2 )  4.5  2.2  2.0 ! A.947  at 6.03e+04
assign (resid  65 and name  HB1 ) (resid  65 and name  HD2 )  3.5  1.2  0.5 ! A.869  at 1.46e+05
assign (resid  65 and name  HB2 ) (resid  65 and name  HD1 )  2.5  0.7  0.4 ! A.891  at 1.78e+05
assign (resid  65 and name  HD1 ) (resid  66 and name   HN )  4.5  2.2  2.0 ! A.885  at 4.11e+04
assign (resid  65 and name   HA ) (resid  66 and name   HA )  4.5  2.2  2.0 ! A.1120 at 8.26e+04
assign (resid  65 and name  HD2 ) (resid  68 and name HD2# )  4.0  2.2  1.5 ! A.2215 at 1.00e+05
assign (resid  65 and name  HE2 ) (resid  68 and name HD2# )  4.5  2.2  2.5 ! A.2191 at 7.42e+04
assign (resid  65 and name  HE2 ) (resid  69 and name HG2# )  4.5  2.2  2.5 ! A.2191 at 7.42e+04
assign (resid  65 and name  HD2 ) (resid  69 and name   HB )  4.5  2.2  2.0 ! A.870  at 8.23e+04

! D66
assign (resid  66 and name  HB2 ) (resid  66 and name   HN )  3.5  1.2  0.5 ! A.607  at 1.38e+05
assign (resid  66 and name   HA ) (resid  67 and name   HA )  4.0  2.2  1.0 ! A.1225 at 9.97e+04
assign (resid  66 and name   HA ) (resid  69 and name   HA )  4.5  2.2  2.0 ! A.1297 at 8.23e+04

! I67
assign (resid  67 and name   HA ) (resid  67 and name HG2# )  2.5  0.7  0.9 ! A.2238 at 2.67e+05
assign (resid  67 and name   HA ) (resid  67 and name HG11 )  4.5  2.2  2.0 ! A.2068 at 6.47e+04
assign (resid  67 and name   HA ) (resid  70 and name  HA1 )  4.0  2.2  1.0 ! A.1228 at 1.18e+05
assign (resid  67 and name   HB ) (resid 101 and name  HE2 )  4.0  2.2  1.0 ! A.920  at 1.18e+05

! L68
assign (resid  68 and name   HA ) (resid  70 and name  HA1 )  4.5  2.2  2.0 ! A.1157 at 6.44e+04
assign (resid  68 and name HD2# ) (resid 101 and name  HD2 )  2.5  0.7  0.9 ! A.778  at 1.90e+05
assign (resid  68 and name HD2# ) (resid 101 and name  HE2 )  4.0  2.2  1.5 ! A.2190 at 1.18e+05
assign (resid  68 and name HD2# ) (resid 104 and name  HG2 )  3.5  1.2  1.0 ! A.2219 at 1.45e+05

! V69
assign (resid  69 and name   HN ) (resid  69 and name HG2# )  2.5  0.7  0.9 ! A.2189 at 2.34e+05
assign (resid  69 and name   HA ) (resid  69 and name HG1# )  2.5  0.7  0.9 ! A.2103 at 1.85e+05
assign (resid  69 and name   HA ) (resid  70 and name  HA2 )  4.5  2.2  2.0 ! A.1162 at 6.73e+04
assign (resid  69 and name HG1# ) (resid  72 and name   HN )  4.5  2.2  2.5 ! A.2118 at 5.36e+04
assign (resid  69 and name   HA ) (resid  72 and name   HN )  4.5  2.2  2.0 ! A.1307 at 5.58e+04
assign (resid  69 and name   HA ) (resid  72 and name HG11 )  3.5  1.2  0.5 ! A.2151 at 1.31e+05

! G70

! Q71
assign (resid  71 and name  HG1 ) (resid  71 and name   HN )  2.5  0.7  0.4 ! A.402  at 1.92e+05
assign (resid  71 and name  HB1 ) (resid  71 and name HE21 )  2.5  0.7  0.4 ! A.729  at 3.64e+05
assign (resid  71 and name HE21 ) (resid  71 and name   HN )  4.0  2.2  1.0 ! A.400  at 1.02e+05
assign (resid  71 and name HE21 ) (resid  72 and name   HN )  4.5  2.2  2.0 ! A.725  at 4.62e+04
assign (resid  71 and name  HB1 ) (resid  72 and name   HN )  4.0  2.2  1.0 ! A.1754 at 1.09e+05
assign (resid  71 and name   HA ) (resid  74 and name   HN )  2.5  0.7  0.4 ! A.341  at 3.58e+05
assign (resid  71 and name HE21 ) (resid  90 and name  HB# )  4.0  2.2  1.5 ! A.1913 at 1.03e+05
assign (resid  71 and name HE22 ) (resid  93 and name  HG1 )  4.0  2.2  1.0 ! A.963  at 9.71e+04

! I72
assign (resid  72 and name   HA ) (resid  72 and name HG2# )  3.5  1.2  1.0 ! A.2255 at 1.41e+05
assign (resid  72 and name   HB ) (resid  72 and name   HN )  3.5  1.2  0.5 ! A.63   at 1.28e+05
assign (resid  72 and name   HN ) (resid  72 and name HD1# )  4.0  2.2  1.5 ! A.2266 at 1.09e+05
assign (resid  72 and name   HA ) (resid  72 and name HG11 )  4.0  2.2  1.0 ! A.2150 at 1.11e+05
assign (resid  72 and name   HN ) (resid  73 and name  HB2 )  4.5  2.2  2.0 ! A.1418 at 5.99e+04
assign (resid  72 and name   HN ) (resid  73 and name  HB1 )  4.5  2.2  2.0 ! A.59   at 6.58e+04
assign (resid  72 and name HG2# ) (resid  74 and name   HN )  4.5  2.2  2.5 ! A.346  at 6.29e+04
assign (resid  72 and name   HN ) (resid  74 and name  HB2 )  4.5  2.2  2.0 ! A.1494 at 4.71e+04

! D73
assign (resid  73 and name  HB1 ) (resid  73 and name   HN )  2.5  0.7  0.4 ! A.42   at 1.75e+05
assign (resid  73 and name   HA ) (resid  74 and name   HN )  4.5  2.2  2.0 ! A.339  at 8.21e+04
assign (resid  73 and name   HA ) (resid  76 and name   HN )  4.5  2.2  2.0 ! A.18   at 6.62e+04
assign (resid  73 and name   HA ) (resid  76 and name   HA )  4.0  2.2  1.0 ! A.1184 at 9.69e+04

! D74

! A75

! L76
assign (resid  76 and name   HA ) (resid  76 and name HD2# )  2.5  0.7  0.9 ! A.2169 at 2.13e+05
assign (resid  76 and name   HA ) (resid  76 and name HD1# )  4.0  2.2  1.5 ! A.2169 at 1.13e+05
assign (resid  76 and name  HB1 ) (resid  76 and name HD2# )  4.5  2.2  2.5 ! A.2154 at 1.23e+06
assign (resid  76 and name  HB2 ) (resid  76 and name HD2# )  4.0  2.2  1.5 ! A.2162 at 1.16e+05
assign (resid  76 and name   HN ) (resid  77 and name   HN )  4.0  2.2  1.0 ! A.433  at 1.06e+05
assign (resid  76 and name   HN ) (resid  78 and name  HB2 )  4.0  2.2  1.0 ! A.1945 at 1.00e+05
assign (resid  76 and name HD2# ) (resid  80 and name HD21 )  4.0  2.2  1.5 ! A.2173 at 1.13e+05

! K77
assign (resid  77 and name   HA ) (resid  77 and name  HG1 )  2.5  0.7  0.4 ! A.1883 at 1.56e+05
assign (resid  77 and name  HE1 ) (resid  78 and name HD1# )  2.5  0.7  0.9 ! A.2186 at 2.45e+05
assign (resid  77 and name   HA ) (resid  80 and name HD22 )  3.5  1.2  0.5 ! A.843  at 1.22e+05

! L78
assign (resid  78 and name HD2# ) (resid  78 and name  HB2 )  2.5  0.7  0.9 ! A.1949 at 6.39e+05
assign (resid  78 and name  HB2 ) (resid  78 and name HD1# )  2.5  0.7  0.9 ! A.2182 at 2.13e+05
assign (resid  78 and name   HN ) (resid  79 and name   HN )  4.0  2.2  1.0 ! A.223  at 8.85e+04
assign (resid  78 and name   HN ) (resid  83 and name  HG2 )  4.5  2.2  2.0 ! A.2023 at 5.94e+04
assign (resid  78 and name  HB1 ) (resid  86 and name   HN )  4.5  2.2  2.0 ! A.1834 at 6.22e+04

! A79
assign (resid  79 and name   HA ) (resid  83 and name   HA )  4.5  2.2  2.0 ! A.1062 at 6.62e+04
assign (resid  79 and name   HA ) (resid  84 and name HG2# )  4.0  2.2  1.5 ! A.1236 at 1.17e+05
assign (resid  79 and name  HB# ) (resid  84 and name   HA )  4.0  2.2  1.5 ! A.2049 at 8.73e+04

! N80
assign (resid  80 and name HD21 ) (resid  80 and name  HB2 )  4.5  2.2  2.0 ! A.1533 at 4.51e+04
assign (resid  80 and name HD22 ) (resid  80 and name  HB1 )  4.0  2.2  1.0 ! A.1458 at 9.52e+04
assign (resid  80 and name HD22 ) (resid  80 and name  HB2 )  4.5  2.2  2.0 ! A.1534 at 5.78e+04
assign (resid  80 and name   HA ) (resid  80 and name HD21 )  4.5  2.2  2.0 ! A.662  at 6.90e+04
assign (resid  80 and name  HB1 ) (resid  80 and name HD21 )  4.0  2.2  1.0 ! A.664  at 9.60e+04
assign (resid  80 and name  HB2 ) (resid  81 and name  HB2 )  4.5  2.2  2.0 ! A.1504 at 6.86e+04

! E81
assign (resid  81 and name   HA ) (resid  81 and name  HG2 )  4.5  2.2  2.0 ! A.1620 at 4.92e+04
assign (resid  81 and name  HB2 ) (resid  83 and name  HE1 )  4.0  2.2  1.0 ! A.1684 at 1.08e+05

! G82

! K83
assign (resid  83 and name  HE1 ) (resid  83 and name  HB1 )  4.0  2.2  1.0 ! A.1709 at 1.07e+05
assign (resid  83 and name  HE1 ) (resid  83 and name  HG1 )  2.5  0.7  0.4 ! A.2014 at 2.26e+05
assign (resid  83 and name  HB2 ) (resid  84 and name   HA )  4.0  2.2  1.0 ! A.1694 at 1.13e+05
assign (resid  83 and name  HG1 ) (resid  86 and name  HG1 )  4.0  2.2  1.0 ! A.1982 at 9.91e+04

! V84
assign (resid  84 and name   HA ) (resid  84 and name HG1# )  2.5  0.7  0.9 ! A.2234 at 2.90e+05
assign (resid  84 and name HG2# ) (resid  84 and name   HA )  2.5  0.7  0.9 ! A.1354 at 2.61e+05
assign (resid  84 and name   HA ) (resid  85 and name   HA )  4.0  2.2  1.0 ! A.1344 at 1.02e+05
assign (resid  84 and name HG1# ) (resid  88 and name  HG1 )  4.0  2.2  1.5 ! A.2235 at 9.16e+04

! K85
assign (resid  85 and name   HA ) (resid  85 and name  HG1 )  3.5  1.2  0.5 ! A.1940 at 1.31e+05

! E86
assign (resid  86 and name   HA ) (resid  86 and name  HG1 )  3.0  0.7  0.5 ! A.1540 at 2.58e+05 C

! A87
assign (resid  87 and name  HB# ) (resid  88 and name  HG1 )  4.0  2.2  1.5 ! A.1982 at 9.91e+04

! Q88
assign (resid  88 and name HE22 ) (resid  88 and name  HG1 )  4.5  2.2  2.0 ! A.1569 at 6.20e+04
assign (resid  88 and name  HG1 ) (resid  88 and name   HA )  4.5  2.2  2.0 ! A.1197 at 7.86e+04
assign (resid  88 and name  HG2 ) (resid  88 and name   HA )  4.0  2.2  1.0 ! A.1198 at 1.12e+05
assign (resid  88 and name  HB2 ) (resid  88 and name   HN )  3.5  1.2  0.5 ! A.137  at 1.37e+05
assign (resid  88 and name HE21 ) (resid  88 and name   HA )  4.0  2.2  1.0 ! A.1192 at 9.00e+04
assign (resid  88 and name  HG2 ) (resid  89 and name   HN )  4.0  2.2  1.0 ! A.299  at 1.02e+05
assign (resid  88 and name   HN ) (resid  91 and name   HN )  4.0  2.2  1.0 ! A.131  at 9.56e+04
assign (resid  88 and name  HG2 ) (resid  91 and name  HB# )  4.0  2.2  1.5 ! A.1926 at 9.96e+04
assign (resid  88 and name   HA ) (resid  92 and name   HN )  4.0  2.2  1.0 ! A.1193 at 9.32e+04

! A89
assign (resid  89 and name   HA ) (resid  90 and name   HA )  4.0  2.2  1.0 ! A.1114 at 1.04e+05

! A90
assign (resid  90 and name  HB# ) (resid  93 and name  HG1 )  4.5  2.2  2.5 ! A.1561 at 5.54e+04

! A91

! E92

! Q93
assign (resid  93 and name HE21 ) (resid  93 and name  HG1 )  4.5  2.2  2.0 ! A.1580 at 7.54e+04
assign (resid  93 and name   HN ) (resid  93 and name HE22 )  4.5  2.2  2.0 ! A.937  at 7.92e+04
assign (resid  93 and name   HN ) (resid  96 and name   HN )  4.5  2.2  2.0 ! A.630  at 7.90e+04

! L94
assign (resid  94 and name   HA ) (resid  94 and name HD2# )  4.0  2.2  1.5 ! A.2160 at 1.01e+05
assign (resid  94 and name   HA ) (resid  94 and name HD1# )  2.5  0.7  0.9 ! A.2160 at 3.71e+05
assign (resid  94 and name   HA ) (resid  94 and name   HG )  3.0  0.7  0.6 ! A.1781 at 3.16e+05
assign (resid  94 and name  HB2 ) (resid  94 and name HD2# )  2.5  0.7  0.9 ! A.2162 at 2.16e+05

! K95
assign (resid  95 and name  HG1 ) (resid  95 and name   HN )  4.5  2.2  2.0 ! A.385  at 6.67e+04
assign (resid  95 and name   HA ) (resid  95 and name  HG1 )  2.5  0.7  0.4 ! A.1977 at 2.61e+05
assign (resid  95 and name  HE1 ) (resid  95 and name  HG2 )  2.5  0.7  0.4 ! A.2014 at 2.26e+05
assign (resid  95 and name  HE1 ) (resid  95 and name  HG1 )  3.5  1.2  0.5 ! A.1943 at 1.22e+05
assign (resid  95 and name  HB2 ) (resid  95 and name  HE1 )  4.0  2.2  1.0 ! A.1396 at 9.98e+04
assign (resid  95 and name   HA ) (resid  97 and name   HN )  4.0  2.2  1.0 ! A.1193 at 9.32e+04
assign (resid  95 and name   HN ) (resid  97 and name   HB )  4.5  2.2  2.0 ! A.369  at 8.10e+04

! T96

! T97
assign (resid  97 and name   HA ) (resid  98 and name   HA )  4.0  2.2  1.0 ! A.1281 at 1.09e+05
assign (resid  97 and name   HA ) (resid 101 and name  HD1 )  4.5  2.2  2.0 ! A.751  at 7.44e+04
assign (resid  97 and name   HA ) (resid 101 and name  HE1 )  4.5  2.2  2.0 ! A.895  at 7.89e+04
assign (resid  97 and name HG2# ) (resid 101 and name  HE1 )  4.5  2.2  2.5 ! A.909  at 6.36e+04

! I98
assign (resid  98 and name   HA ) (resid  98 and name HG11 )  3.5  1.2  0.5 ! A.2012 at 1.39e+05
assign (resid  98 and name   HA ) (resid  98 and name HG2# )  4.0  2.2  1.5 ! A.2103 at 1.04e+05
assign (resid  98 and name   HA ) (resid 101 and name  HB2 )  2.5  0.7  0.4 ! A.1346 at 1.79e+05
assign (resid  98 and name   HB ) (resid 103 and name HE22 )  4.5  2.2  2.0 ! A.1818 at 6.40e+04
assign (resid  98 and name HG2# ) (resid 103 and name HE22 )  4.5  2.2  2.5 ! A.2120 at 6.17e+04
assign (resid  98 and name   HA ) (resid 104 and name  HB1 )  3.5  1.2  0.5 ! A.1951 at 1.25e+05

! R99
assign (resid  99 and name   HE ) (resid  99 and name   HN )  4.0  2.2  1.0 ! A.264  at 1.16e+05
assign (resid  99 and name   HA ) (resid  99 and name   HE )  4.5  2.2  2.0 ! A.745  at 5.73e+04
assign (resid  99 and name   HA ) (resid  99 and name  HG1 )  3.5  1.2  0.5 ! A.1858 at 1.42e+05
assign (resid  99 and name   HA ) (resid  99 and name  HD2 )  4.0  2.2  1.0 ! A.1377 at 1.09e+05
assign (resid  99 and name  HD1 ) (resid  99 and name  HB2 )  4.0  2.2  1.0 ! A.1823 at 1.01e+05
assign (resid  99 and name   HA ) (resid 100 and name   HA )  4.0  2.2  1.0 ! A.1134 at 1.16e+05

! A100
assign (resid 100 and name   HA ) (resid 102 and name   HA )  4.5  2.2  2.0 ! A.1128 at 4.48e+04

! Y101
assign (resid 101 and name  HD1 ) (resid 101 and name  HB1 )  4.5  2.2  2.0 ! A.1322 at 7.92e+04
assign (resid 101 and name  HD2 ) (resid 101 and name  HB2 )  4.0  2.2  1.0 ! A.1369 at 8.85e+04
assign (resid 101 and name  HD1 ) (resid 101 and name   HN )  4.0  2.2  1.0 ! A.281  at 9.93e+04
assign (resid 101 and name  HE1 ) (resid 101 and name  HB2 )  4.5  2.2  2.0 ! A.1370 at 4.51e+04
assign (resid 101 and name   HA ) (resid 101 and name  HE1 )  4.5  2.2  2.0 ! A.918  at 5.86e+04
assign (resid 101 and name   HA ) (resid 101 and name  HD1 )  2.5  0.7  0.4 ! A.750  at 2.18e+05
assign (resid 101 and name  HB1 ) (resid 101 and name  HD2 )  2.5  0.7  0.4 ! A.773  at 1.69e+05
assign (resid 101 and name  HB2 ) (resid 101 and name  HD1 )  2.5  0.7  0.4 ! A.775  at 1.61e+05
assign (resid 101 and name  HB1 ) (resid 102 and name   HN )  4.5  2.2  2.0 ! A.1320 at 4.28e+04
assign (resid 101 and name   HA ) (resid 104 and name   HN )  4.5  2.2  2.0 ! A.1099 at 4.83e+04
assign (resid 101 and name  HB2 ) (resid 104 and name   HN )  4.0  2.2  1.0 ! A.1368 at 9.56e+04
assign (resid 101 and name  HB2 ) (resid 104 and name  HD1 )  3.5  1.2  0.5 ! A.1996 at 1.35e+05
assign (resid 101 and name  HD2 ) (resid 104 and name  HD2 )  2.5  0.7  0.4 ! A.762  at 1.66e+05
assign (resid 101 and name  HE2 ) (resid 105 and name  HD1 )  4.5  2.2  2.0 ! A.549  at 5.74e+04
assign (resid 101 and name  HD2 ) (resid 105 and name  HD1 )  3.5  1.2  0.5 ! A.743  at 1.36e+05
assign (resid 101 and name  HB1 ) (resid 105 and name  HE1 )  4.0  2.2  1.0 ! A.797  at 1.01e+05

! N102
assign (resid 102 and name HD21 ) (resid 102 and name   HA )  3.0  0.7  0.6 ! A.1265 at 1.71e+05
assign (resid 102 and name   HA ) (resid 103 and name   HA )  4.0  2.2  1.0 ! A.1281 at 1.19e+05
assign (resid 102 and name HD21 ) (resid 104 and name   HN )  4.5  2.2  2.0 ! A.621  at 3.78e+06
assign (resid 102 and name HD22 ) (resid 105 and name   HA )  4.5  2.2  2.0 ! A.971  at 5.42e+04
assign (resid 102 and name HD21 ) (resid 105 and name   HN )  4.0  2.2  1.0 ! A.322  at 8.70e+04
assign (resid 102 and name  HB1 ) (resid 105 and name   HA )  3.5  1.2  0.5 ! A.975  at 1.21e+05
assign (resid 102 and name HD21 ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.660  at 6.89e+04

! Q103
assign (resid 103 and name   HN ) (resid 103 and name HE22 )  4.0  2.2  1.0 ! A.848  at 1.09e+05
assign (resid 103 and name HE21 ) (resid 103 and name   HN )  4.0  2.2  1.0 ! A.356  at 1.15e+05
assign (resid 103 and name  HB2 ) (resid 103 and name   HN )  2.5  0.7  0.4 ! A.359  at 2.15e+05
assign (resid 103 and name   HA ) (resid 103 and name  HG2 )  2.5  0.7  0.4 ! A.1635 at 3.89e+05
assign (resid 103 and name   HA ) (resid 103 and name  HG1 )  3.5  1.2  0.5 ! A.1587 at 1.30e+05
assign (resid 103 and name   HA ) (resid 103 and name HE22 )  4.5  2.2  2.0 ! A.824  at 5.15e+04

! K104
assign (resid 104 and name   HA ) (resid 104 and name  HD1 )  2.5  0.7  0.4 ! A.2016 at 3.57e+05
assign (resid 104 and name  HE1 ) (resid 104 and name  HG1 )  4.5  2.2  2.0 ! A.2138 at 8.19e+04
assign (resid 104 and name  HE1 ) (resid 104 and name  HB2 )  4.5  2.2  2.0 ! A.2078 at 4.42e+04
assign (resid 104 and name  HE1 ) (resid 104 and name  HB1 )  4.0  2.2  1.0 ! A.1969 at 1.14e+05
assign (resid 104 and name  HG1 ) (resid 104 and name   HN )  4.5  2.2  2.0 ! A.628  at 5.61e+04
assign (resid 104 and name  HG2 ) (resid 104 and name  HE1 )  4.5  2.2  2.0 ! A.1486 at 7.48e+04
assign (resid 104 and name  HE1 ) (resid 105 and name   HA )  4.5  2.2  2.0 ! A.974  at 6.35e+04
assign (resid 104 and name   HN ) (resid 105 and name   HA )  4.5  2.2  2.0 ! A.622  at 8.04e+05

! Y105
assign (resid 105 and name   HN ) (resid 105 and name  HE1 )  4.5  2.2  2.0 ! A.809  at 8.10e+04
assign (resid 105 and name  HD2 ) (resid 105 and name  HB1 )  3.5  1.2  0.5 ! A.1290 at 1.26e+05
assign (resid 105 and name   HA ) (resid 105 and name  HD1 )  4.0  2.2  1.0 ! A.510  at 1.16e+05
assign (resid 105 and name  HB1 ) (resid 105 and name  HE2 )  4.0  2.2  1.0 ! A.807  at 9.59e+04
assign (resid 105 and name  HB1 ) (resid 105 and name  HD1 )  4.5  2.2  2.0 ! A.552  at 7.80e+04

! G106


!@ END_XPLR_NOE_FILE
! make_hbonds.nawk Table !   Date: Wed Jan  7 09:16:27 EST 2004
!   Path: /home/fengh/My_xplor/ING28m
!
! alpha helices H-BOND constraints
assign (resid   4 and name o ) 
       (resid   8 and name hn )  2.0 0.7 0.5
assign (resid   4 and name o ) 
       (resid   8 and name n )  3.0 0.7 0.5
assign (resid   5 and name o ) 
       (resid   9 and name hn )  2.0 0.7 0.5
assign (resid   5 and name o ) 
       (resid   9 and name n )  3.0 0.7 0.5
assign (resid   6 and name o ) 
       (resid  10 and name hn )  2.0 0.7 0.5
assign (resid   6 and name o ) 
       (resid  10 and name n )  3.0 0.7 0.5
assign (resid   7 and name o ) 
       (resid  11 and name hn )  2.0 0.7 0.5
assign (resid   7 and name o ) 
       (resid  11 and name n )  3.0 0.7 0.5
assign (resid   8 and name o ) 
       (resid  12 and name hn )  2.0 0.7 0.5
assign (resid   8 and name o ) 
       (resid  12 and name n )  3.0 0.7 0.5
assign (resid   9 and name o ) 
       (resid  13 and name hn )  2.0 0.7 0.5
assign (resid   9 and name o ) 
       (resid  13 and name n )  3.0 0.7 0.5
assign (resid  10 and name o ) 
       (resid  14 and name hn )  2.0 0.7 0.5
assign (resid  10 and name o ) 
       (resid  14 and name n )  3.0 0.7 0.5
assign (resid  11 and name o ) 
       (resid  15 and name hn )  2.0 0.7 0.5
assign (resid  11 and name o ) 
       (resid  15 and name n )  3.0 0.7 0.5
assign (resid  12 and name o ) 
       (resid  16 and name hn )  2.0 0.7 0.5
assign (resid  12 and name o ) 
       (resid  16 and name n )  3.0 0.7 0.5
assign (resid  13 and name o ) 
       (resid  17 and name hn )  2.0 0.7 0.5
assign (resid  13 and name o ) 
       (resid  17 and name n )  3.0 0.7 0.5
assign (resid  14 and name o ) 
       (resid  18 and name hn )  2.0 0.7 0.5
assign (resid  14 and name o ) 
       (resid  18 and name n )  3.0 0.7 0.5
assign (resid  15 and name o ) 
       (resid  19 and name hn )  2.0 0.7 0.5
assign (resid  15 and name o ) 
       (resid  19 and name n )  3.0 0.7 0.5
assign (resid  16 and name o ) 
       (resid  20 and name hn )  2.0 0.7 0.5
assign (resid  16 and name o ) 
       (resid  20 and name n )  3.0 0.7 0.5
assign (resid  23 and name o ) 
       (resid  27 and name hn )  2.0 0.7 0.5
assign (resid  23 and name o ) 
       (resid  27 and name n )  3.0 0.7 0.5
assign (resid  24 and name o ) 
       (resid  28 and name hn )  2.0 0.7 0.5
assign (resid  24 and name o ) 
       (resid  28 and name n )  3.0 0.7 0.5
assign (resid  25 and name o ) 
       (resid  29 and name hn )  2.0 0.7 0.5
assign (resid  25 and name o ) 
       (resid  29 and name n )  3.0 0.7 0.5
assign (resid  26 and name o ) 
       (resid  30 and name hn )  2.0 0.7 0.5
assign (resid  26 and name o ) 
       (resid  30 and name n )  3.0 0.7 0.5
assign (resid  27 and name o ) 
       (resid  31 and name hn )  2.0 0.7 0.5
assign (resid  27 and name o ) 
       (resid  31 and name n )  3.0 0.7 0.5
assign (resid  28 and name o ) 
       (resid  32 and name hn )  2.0 0.7 0.5
assign (resid  28 and name o ) 
       (resid  32 and name n )  3.0 0.7 0.5
assign (resid  29 and name o ) 
       (resid  33 and name hn )  2.0 0.7 0.5
assign (resid  29 and name o ) 
       (resid  33 and name n )  3.0 0.7 0.5
assign (resid  30 and name o ) 
       (resid  34 and name hn )  2.0 0.7 0.5
assign (resid  30 and name o ) 
       (resid  34 and name n )  3.0 0.7 0.5
assign (resid  31 and name o ) 
       (resid  35 and name hn )  2.0 0.7 0.5
assign (resid  31 and name o ) 
       (resid  35 and name n )  3.0 0.7 0.5
assign (resid  32 and name o ) 
       (resid  36 and name hn )  2.0 0.7 0.5
assign (resid  32 and name o ) 
       (resid  36 and name n )  3.0 0.7 0.5
assign (resid  33 and name o ) 
       (resid  37 and name hn )  2.0 0.7 0.5
assign (resid  33 and name o ) 
       (resid  37 and name n )  3.0 0.7 0.5
assign (resid  34 and name o ) 
       (resid  38 and name hn )  2.0 0.7 0.5
assign (resid  34 and name o ) 
       (resid  38 and name n )  3.0 0.7 0.5
assign (resid  35 and name o ) 
       (resid  39 and name hn )  2.0 0.7 0.5
assign (resid  35 and name o ) 
       (resid  39 and name n )  3.0 0.7 0.5
assign (resid  36 and name o ) 
       (resid  40 and name hn )  2.0 0.7 0.5
assign (resid  36 and name o ) 
       (resid  40 and name n )  3.0 0.7 0.5
assign (resid  37 and name o ) 
       (resid  41 and name hn )  2.0 0.7 0.5
assign (resid  37 and name o ) 
       (resid  41 and name n )  3.0 0.7 0.5
assign (resid  38 and name o ) 
       (resid  42 and name hn )  2.0 0.7 0.5
assign (resid  38 and name o ) 
       (resid  42 and name n )  3.0 0.7 0.5
assign (resid  57 and name o ) 
       (resid  61 and name hn )  2.0 0.7 0.5
assign (resid  57 and name o ) 
       (resid  61 and name n )  3.0 0.7 0.5
assign (resid  58 and name o ) 
       (resid  62 and name hn )  2.0 0.7 0.5
assign (resid  58 and name o ) 
       (resid  62 and name n )  3.0 0.7 0.5
assign (resid  59 and name o ) 
       (resid  63 and name hn )  2.0 0.7 0.5
assign (resid  59 and name o ) 
       (resid  63 and name n )  3.0 0.7 0.5
assign (resid  60 and name o ) 
       (resid  64 and name hn )  2.0 0.7 0.5
assign (resid  60 and name o ) 
       (resid  64 and name n )  3.0 0.7 0.5
assign (resid  61 and name o ) 
       (resid  65 and name hn )  2.0 0.7 0.5
assign (resid  61 and name o ) 
       (resid  65 and name n )  3.0 0.7 0.5
assign (resid  62 and name o ) 
       (resid  66 and name hn )  2.0 0.7 0.5
assign (resid  62 and name o ) 
       (resid  66 and name n )  3.0 0.7 0.5
assign (resid  63 and name o ) 
       (resid  67 and name hn )  2.0 0.7 0.5
assign (resid  63 and name o ) 
       (resid  67 and name n )  3.0 0.7 0.5
assign (resid  64 and name o ) 
       (resid  68 and name hn )  2.0 0.7 0.5
assign (resid  64 and name o ) 
       (resid  68 and name n )  3.0 0.7 0.5
assign (resid  65 and name o ) 
       (resid  69 and name hn )  2.0 0.7 0.5
assign (resid  65 and name o ) 
       (resid  69 and name n )  3.0 0.7 0.5
assign (resid  66 and name o ) 
       (resid  70 and name hn )  2.0 0.7 0.5
assign (resid  66 and name o ) 
       (resid  70 and name n )  3.0 0.7 0.5
assign (resid  67 and name o ) 
       (resid  71 and name hn )  2.0 0.7 0.5
assign (resid  67 and name o ) 
       (resid  71 and name n )  3.0 0.7 0.5
assign (resid  68 and name o ) 
       (resid  72 and name hn )  2.0 0.7 0.5
assign (resid  68 and name o ) 
       (resid  72 and name n )  3.0 0.7 0.5
assign (resid  69 and name o ) 
       (resid  73 and name hn )  2.0 0.7 0.5
assign (resid  69 and name o ) 
       (resid  73 and name n )  3.0 0.7 0.5
assign (resid  70 and name o ) 
       (resid  74 and name hn )  2.0 0.7 0.5
assign (resid  70 and name o ) 
       (resid  74 and name n )  3.0 0.7 0.5
assign (resid  71 and name o ) 
       (resid  75 and name hn )  2.0 0.7 0.5
assign (resid  71 and name o ) 
       (resid  75 and name n )  3.0 0.7 0.5
assign (resid  72 and name o ) 
       (resid  76 and name hn )  2.0 0.7 0.5
assign (resid  72 and name o ) 
       (resid  76 and name n )  3.0 0.7 0.5
assign (resid  73 and name o ) 
       (resid  77 and name hn )  2.0 0.7 0.5
assign (resid  73 and name o ) 
       (resid  77 and name n )  3.0 0.7 0.5
assign (resid  74 and name o ) 
       (resid  78 and name hn )  2.0 0.7 0.5
assign (resid  74 and name o ) 
       (resid  78 and name n )  3.0 0.7 0.5
assign (resid  75 and name o ) 
       (resid  79 and name hn )  2.0 0.7 0.5
assign (resid  75 and name o ) 
       (resid  79 and name n )  3.0 0.7 0.5
assign (resid  76 and name o ) 
       (resid  80 and name hn )  2.0 0.7 0.5
assign (resid  76 and name o ) 
       (resid  80 and name n )  3.0 0.7 0.5
assign (resid  77 and name o ) 
       (resid  81 and name hn )  2.0 0.7 0.5
assign (resid  77 and name o ) 
       (resid  81 and name n )  3.0 0.7 0.5
assign (resid  83 and name o ) 
       (resid  87 and name hn )  2.0 0.7 0.5
assign (resid  83 and name o ) 
       (resid  87 and name n )  3.0 0.7 0.5
assign (resid  84 and name o ) 
       (resid  88 and name hn )  2.0 0.7 0.5
assign (resid  84 and name o ) 
       (resid  88 and name n )  3.0 0.7 0.5
assign (resid  85 and name o ) 
       (resid  89 and name hn )  2.0 0.7 0.5
assign (resid  85 and name o ) 
       (resid  89 and name n )  3.0 0.7 0.5
assign (resid  86 and name o ) 
       (resid  90 and name hn )  2.0 0.7 0.5
assign (resid  86 and name o ) 
       (resid  90 and name n )  3.0 0.7 0.5
assign (resid  87 and name o ) 
       (resid  91 and name hn )  2.0 0.7 0.5
assign (resid  87 and name o ) 
       (resid  91 and name n )  3.0 0.7 0.5
assign (resid  88 and name o ) 
       (resid  92 and name hn )  2.0 0.7 0.5
assign (resid  88 and name o ) 
       (resid  92 and name n )  3.0 0.7 0.5
assign (resid  89 and name o ) 
       (resid  93 and name hn )  2.0 0.7 0.5
assign (resid  89 and name o ) 
       (resid  93 and name n )  3.0 0.7 0.5
assign (resid  90 and name o ) 
       (resid  94 and name hn )  2.0 0.7 0.5
assign (resid  90 and name o ) 
       (resid  94 and name n )  3.0 0.7 0.5
assign (resid  91 and name o ) 
       (resid  95 and name hn )  2.0 0.7 0.5
assign (resid  91 and name o ) 
       (resid  95 and name n )  3.0 0.7 0.5
assign (resid  92 and name o ) 
       (resid  96 and name hn )  2.0 0.7 0.5
assign (resid  92 and name o ) 
       (resid  96 and name n )  3.0 0.7 0.5
assign (resid  93 and name o ) 
       (resid  97 and name hn )  2.0 0.7 0.5
assign (resid  93 and name o ) 
       (resid  97 and name n )  3.0 0.7 0.5
assign (resid  94 and name o ) 
       (resid  98 and name hn )  2.0 0.7 0.5
assign (resid  94 and name o ) 
       (resid  98 and name n )  3.0 0.7 0.5
assign (resid  95 and name o ) 
       (resid  99 and name hn )  2.0 0.7 0.5
assign (resid  95 and name o ) 
       (resid  99 and name n )  3.0 0.7 0.5
assign (resid  96 and name o ) 
       (resid 100 and name hn )  2.0 0.7 0.5
assign (resid  96 and name o ) 
       (resid 100 and name n )  3.0 0.7 0.5
assign (resid  97 and name o ) 
       (resid 101 and name hn )  3.0 0.7 0.5
assign (resid  97 and name o ) 
       (resid 101 and name n )  3.0 0.7 0.5

!!   D2 
assign ( resid 1 and name c ) ( resid 2 and name n )
       ( resid 2 and name ca) ( resid 2 and name c )
       ( resid 3 and name n )                           53.23 40.32

!!   L3 
assign ( resid 2 and name c ) ( resid 3 and name n )
       ( resid 3 and name ca) ( resid 3 and name c )
       ( resid 4 and name n )                           58.01 40.79

!!   E4
assign ( resid 3 and name c ) ( resid 4 and name n )
       ( resid 4 and name ca) ( resid 4 and name c )
       ( resid 5 and name n )                           58.51 27.94

!!   D5
assign ( resid 4 and name c ) ( resid 5 and name n )
       ( resid 5 and name ca) ( resid 5 and name c )
       ( resid 6 and name n )                           56.48 40.08

!!   N6
assign ( resid 5 and name c ) ( resid 6 and name n )
       ( resid 6 and name ca) ( resid 6 and name c )
       ( resid 7 and name n )                           56.33 38.20

!!   W7
assign ( resid 6 and name c ) ( resid 7 and name n )
       ( resid 7 and name ca) ( resid 7 and name c )
       ( resid 8 and name n )                           59.88 29.67

!!   E8
assign ( resid 7 and name c ) ( resid 8 and name n )
       ( resid 8 and name ca) ( resid 8 and name c )
       ( resid 9 and name n )                           59.16 27.87

!!   T9
assign ( resid 8 and name c ) ( resid 9 and name n )
       ( resid 9 and name ca) ( resid 9 and name c )
       ( resid 10 and name n )                          66.24 67.61

!!   L10
assign ( resid 9 and name c ) ( resid 10 and name n )
       ( resid 10 and name ca) ( resid 10 and name c )
       ( resid 11 and name n )                          59.00 40.81

!!   N11
assign ( resid 10 and name c ) ( resid 11 and name n )
       ( resid 11 and name ca) ( resid 11 and name c )
       ( resid 12 and name n )                           56.26 38.56

!!   D12
assign ( resid 11 and name c ) ( resid 12 and name n )
       ( resid 12 and name ca) ( resid 12 and name c )
       ( resid 13 and name n )                           56.79 39.50

!!   N13
assign ( resid 12 and name c ) ( resid 13 and name n )
       ( resid 13 and name ca) ( resid 13 and name c )
       ( resid 14 and name n )                           57.20 40.01

!!   L14
assign ( resid 13 and name c ) ( resid 14 and name n )
       ( resid 14 and name ca) ( resid 14 and name c )
       ( resid 15 and name n )                           57.93 40.81

!!   K15
assign ( resid 14 and name c ) ( resid 15 and name n )
       ( resid 15 and name ca) ( resid 15 and name c )
       ( resid 16 and name n )                           58.65 31.27

!!   V16
assign ( resid 15 and name c ) ( resid 16 and name n )
       ( resid 16 and name ca) ( resid 16 and name c )
       ( resid 17 and name n )                           65.32 31.20

!!   I17
assign ( resid 16 and name c ) ( resid 17 and name n )
       ( resid 17 and name ca) ( resid 17 and name c )
       ( resid 18 and name n )                           65.73 37.76

!!   E18
assign ( resid 17 and name c ) ( resid 18 and name n )
       ( resid 18 and name ca) ( resid 18 and name c )
       ( resid 19 and name n )                           58.50 29.02

!!   K19
assign ( resid 18 and name c ) ( resid 19 and name n )
       ( resid 19 and name ca) ( resid 19 and name c )
       ( resid 20 and name n )                           54.67 32.64

!!   A20
assign ( resid 19 and name c ) ( resid 20 and name n )
       ( resid 20 and name ca) ( resid 20 and name c )
       ( resid 21 and name n )                           52.79 20.63

!!   D21
assign ( resid 20 and name c ) ( resid 21 and name n )
       ( resid 21 and name ca) ( resid 21 and name c )
       ( resid 22 and name n )                           52.94 42.32

!!   N22
assign ( resid 21 and name c ) ( resid 22 and name n )
       ( resid 22 and name ca) ( resid 22 and name c )
       ( resid 23 and name n )                           51.64 40.94

!!   A23
assign ( resid 22 and name c ) ( resid 23 and name n )
       ( resid 23 and name ca) ( resid 23 and name c )
       ( resid 24 and name n )                           54.82 18.18

!!   A24
assign ( resid 23 and name c ) ( resid 24 and name n )
       ( resid 24 and name ca) ( resid 24 and name c )
       ( resid 25 and name n )                           55.25 16.95

!!   Q25
assign ( resid 24 and name c ) ( resid 25 and name n )
       ( resid 25 and name ca) ( resid 25 and name c )
       ( resid 26 and name n )                           57.93 29.16

!!   V26
assign ( resid 25 and name c ) ( resid 26 and name n )
       ( resid 26 and name ca) ( resid 26 and name c )
       ( resid 27 and name n )                           66.24 31.26

!!   K27
assign ( resid 26 and name c ) ( resid 27 and name n )
       ( resid 27 and name ca) ( resid 27 and name c )
       ( resid 28 and name n )                           59.88 31.91

!!   D28
assign ( resid 27 and name c ) ( resid 28 and name n )
       ( resid 28 and name ca) ( resid 28 and name c )
       ( resid 29 and name n )                           57.06 40.65

!!   A29
assign ( resid 28 and name c ) ( resid 29 and name n )
       ( resid 29 and name ca) ( resid 29 and name c )
       ( resid 30 and name n )                           54.46 18.97

!!   L30
assign ( resid 29 and name c ) ( resid 30 and name n )
       ( resid 30 and name ca) ( resid 30 and name c )
       ( resid 31 and name n )                           57.35 42.10

!!   T31
assign ( resid 30 and name c ) ( resid 31 and name n )
       ( resid 31 and name ca) ( resid 31 and name c )
       ( resid 32 and name n )                           67.18 68.70

!!   K32
assign ( resid 31 and name c ) ( resid 32 and name n )
       ( resid 32 and name ca) ( resid 32 and name c )
       ( resid 33 and name n )                           59.15 32.05

!!   M33
assign ( resid 32 and name c ) ( resid 33 and name n )
       ( resid 33 and name ca) ( resid 33 and name c )
       ( resid 34 and name n )                           59.37 32.85

!!   R34
assign ( resid 33 and name c ) ( resid 34 and name n )
       ( resid 34 and name ca) ( resid 34 and name c )
       ( resid 35 and name n )                           59.88 29.96

!!   A35
assign ( resid 34 and name c ) ( resid 35 and name n )
       ( resid 35 and name ca) ( resid 35 and name c )
       ( resid 36 and name n )                           54.31 17.74

!!   A36
assign ( resid 35 and name c ) ( resid 36 and name n )
       ( resid 36 and name ca) ( resid 36 and name c )
       ( resid 37 and name n )                           54.10 17.60

!!   A37
assign ( resid 36 and name c ) ( resid 37 and name n )
       ( resid 37 and name ca) ( resid 37 and name c )
       ( resid 38 and name n )                           54.03 18.18

!!   L38
assign ( resid 37 and name c ) ( resid 38 and name n )
       ( resid 38 and name ca) ( resid 38 and name c )
       ( resid 39 and name n )                           56.70 41.16

!!   D39
assign ( resid 38 and name c ) ( resid 39 and name n )
       ( resid 39 and name ca) ( resid 39 and name c )
       ( resid 40 and name n )                           56.63 41.09

!!   A40
assign ( resid 39 and name c ) ( resid 40 and name n )
       ( resid 40 and name ca) ( resid 40 and name c )
       ( resid 41 and name n )                           54.24 17.17

!!   Q41
assign ( resid 40 and name c ) ( resid 41 and name n )
       ( resid 41 and name ca) ( resid 41 and name c )
       ( resid 42 and name n )                           57.31 28.66

!!   K42
assign ( resid 41 and name c ) ( resid 42 and name n )
       ( resid 42 and name ca) ( resid 42 and name c )
       ( resid 43 and name n )                           55.69 32.56

!!   A43
assign ( resid 42 and name c ) ( resid 43 and name n )
       ( resid 43 and name ca) ( resid 43 and name c )
       ( resid 44 and name n )                           51.13 21.07

!!   T44
assign ( resid 43 and name c ) ( resid 44 and name n )
       ( resid 44 and name ca) ( resid 44 and name c )
       ( resid 45 and name n )                           58.94 69.78

!!   P45
assign ( resid 44 and name c ) ( resid 45 and name n )
       ( resid 45 and name ca) ( resid 45 and name c )
       ( resid 46 and name n )                           64.80 31.70

!!   P46
assign ( resid 45 and name c ) ( resid 46 and name n )
       ( resid 46 and name ca) ( resid 46 and name c )
       ( resid 47 and name n )                           64.94 31.69

!!   K47
assign ( resid 46 and name c ) ( resid 47 and name n )
       ( resid 47 and name ca) ( resid 47 and name c )
       ( resid 48 and name n )                           57.42 31.69

!!   L48
assign ( resid 47 and name c ) ( resid 48 and name n )
       ( resid 48 and name ca) ( resid 48 and name c )
       ( resid 49 and name n )                           53.01 41.81

!!   E49
assign ( resid 48 and name c ) ( resid 49 and name n )                                                      
       ( resid 49 and name ca) ( resid 49 and name c )                                                      
       ( resid 50 and name n )                           58.29 28.73

!!   D50
assign ( resid 49 and name c ) ( resid 50 and name n )
       ( resid 50 and name ca) ( resid 50 and name c )
       ( resid 51 and name n )                           53.01 39.64

!!   K51
assign ( resid 50 and name c ) ( resid 51 and name n )
       ( resid 51 and name ca) ( resid 51 and name c )
       ( resid 52 and name n )                           53.52 32.20

!!   S52
assign ( resid 51 and name c ) ( resid 52 and name n )
       ( resid 52 and name ca) ( resid 52 and name c )
       ( resid 53 and name n )                           56.34 62.63

!!   P53
assign ( resid 52 and name c ) ( resid 53 and name n )
       ( resid 53 and name ca) ( resid 53 and name c )
       ( resid 54 and name n )                           65.01 31.31

!!   D54
assign ( resid 53 and name c ) ( resid 54 and name n )
       ( resid 54 and name ca) ( resid 54 and name c )
       ( resid 55 and name n )                           52.44 40.44

!!   S55
assign ( resid 54 and name c ) ( resid 55 and name n )
       ( resid 55 and name ca) ( resid 55 and name c )
       ( resid 56 and name n )                           56.48 62.55

!!   P56
assign ( resid 55 and name c ) ( resid 56 and name n )
       ( resid 56 and name ca) ( resid 56 and name c )
       ( resid 57 and name n )                           65.59 31.77

!!   E57
assign ( resid 56 and name c ) ( resid 57 and name n )
       ( resid 57 and name ca) ( resid 57 and name c )
       ( resid 58 and name n )                           60.31 29.45

!!   M58
assign ( resid 57 and name c ) ( resid 58 and name n )
       ( resid 58 and name ca) ( resid 58 and name c )
       ( resid 59 and name n )                           55.83 29.74

!!   K59
assign ( resid 58 and name c ) ( resid 59 and name n )
       ( resid 59 and name ca) ( resid 59 and name c )
       ( resid 60 and name n )                           59.88 31.69

!!   D60
assign ( resid 59 and name c ) ( resid 60 and name n )
       ( resid 60 and name ca) ( resid 60 and name c )
       ( resid 61 and name n )                           57.06 40.66

!!   F61
assign ( resid 60 and name c ) ( resid 61 and name n )
       ( resid 61 and name ca) ( resid 61 and name c )
       ( resid 62 and name n )                           60.82 38.34

!!   R62
assign ( resid 61 and name c ) ( resid 62 and name n )
       ( resid 62 and name ca) ( resid 62 and name c )
       ( resid 63 and name n )                           60.82 29.95

!!   H63
assign ( resid 62 and name c ) ( resid 63 and name n )
       ( resid 63 and name ca) ( resid 63 and name c )
       ( resid 64 and name n )                           57.71 27.50

!!   G64
assign ( resid 63 and name c ) ( resid 64 and name n )
       ( resid 64 and name ca) ( resid 64 and name c )
       ( resid 65 and name n )                           46.00 0.00

!!   F65
assign ( resid 64 and name c ) ( resid 65 and name n )
       ( resid 65 and name ca) ( resid 65 and name c )
       ( resid 66 and name n )                           62.19 38.63

!!   D66
assign ( resid 65 and name c ) ( resid 66 and name n )
       ( resid 66 and name ca) ( resid 66 and name c )
       ( resid 67 and name n )                           57.59 39.43

!!   I67
assign ( resid 66 and name c ) ( resid 67 and name n )
       ( resid 67 and name ca) ( resid 67 and name c )
       ( resid 68 and name n )                           63.28 36.39

!!   L68
assign ( resid 67 and name c ) ( resid 68 and name n )
       ( resid 68 and name ca) ( resid 68 and name c )
       ( resid 69 and name n )                           57.49 42.03

!!   V69
assign ( resid 68 and name c ) ( resid 69 and name n )
       ( resid 69 and name ca) ( resid 69 and name c )
       ( resid 70 and name n )                           66.40 30.83

!!   G70
assign ( resid 69 and name c ) ( resid 70 and name n )
       ( resid 70 and name ca) ( resid 70 and name c )
       ( resid 71 and name n )                           47.09 0.00

!!   Q71
assign ( resid 70 and name c ) ( resid 71 and name n )
       ( resid 71 and name ca) ( resid 71 and name c )
       ( resid 72 and name n )                           58.43 28.58

!!   I72
assign ( resid 71 and name c ) ( resid 72 and name n )
       ( resid 72 and name ca) ( resid 72 and name c )
       ( resid 73 and name n )                           65.73 37.48

!!   D73
assign ( resid 72 and name c ) ( resid 73 and name n )
       ( resid 73 and name ca) ( resid 73 and name c )
       ( resid 74 and name n )                           57.35 38.85

!!   D74
assign ( resid 73 and name c ) ( resid 74 and name n )
       ( resid 74 and name ca) ( resid 74 and name c )
       ( resid 75 and name n )                           57.06 39.72

!!   A75
assign ( resid 74 and name c ) ( resid 75 and name n )
       ( resid 75 and name ca) ( resid 75 and name c )
       ( resid 76 and name n )                           54.60 17.45

!!   L76
assign ( resid 75 and name c ) ( resid 76 and name n )
       ( resid 76 and name ca) ( resid 76 and name c )
       ( resid 77 and name n )                           57.42 41.81

!!   K77
assign ( resid 76 and name c ) ( resid 77 and name n )
       ( resid 77 and name ca) ( resid 77 and name c )
       ( resid 78 and name n )                           59.59 31.69

!!   L78
assign ( resid 77 and name c ) ( resid 78 and name n )
       ( resid 78 and name ca) ( resid 78 and name c )
       ( resid 79 and name n )                           57.21 41.09

!!   A79
assign ( resid 78 and name c ) ( resid 79 and name n )
       ( resid 79 and name ca) ( resid 79 and name c )
       ( resid 80 and name n )                           55.33 17.02 

!!   N80
assign ( resid 79 and name c ) ( resid 80 and name n )
       ( resid 80 and name ca) ( resid 80 and name c )
       ( resid 81 and name n )                           55.18 37.98

!!   E81
assign ( resid 80 and name c ) ( resid 81 and name n )
       ( resid 81 and name ca) ( resid 81 and name c )
       ( resid 82 and name n )                           55.40 29.31

!!   G82
assign ( resid 81 and name c ) ( resid 82 and name n )
       ( resid 82 and name ca) ( resid 82 and name c )
       ( resid 83 and name n )                           44.99 0.000

!!   K83
assign ( resid 82 and name c ) ( resid 83 and name n )
       ( resid 83 and name ca) ( resid 83 and name c )
       ( resid 84 and name n )                           54.39 29.96

!!   V84
assign ( resid 83 and name c ) ( resid 84 and name n )
       ( resid 84 and name ca) ( resid 84 and name c )
       ( resid 85 and name n )                           67.18 31.26

!!   K85
assign ( resid 84 and name c ) ( resid 85 and name n )
       ( resid 85 and name ca) ( resid 85 and name c )
       ( resid 86 and name n )                           58.72 30.75

!!   E86
assign ( resid 85 and name c ) ( resid 86 and name n )
       ( resid 86 and name ca) ( resid 86 and name c )
       ( resid 87 and name n )                           60.02 28.08

!!   A87
assign ( resid 86 and name c ) ( resid 87 and name n )
       ( resid 87 and name ca) ( resid 87 and name c )
       ( resid 88 and name n )                           54.89 17.53

!!   Q88
assign ( resid 87 and name c ) ( resid 88 and name n )
       ( resid 88 and name ca) ( resid 88 and name c )
       ( resid 89 and name n )                           59.08 28.15

!!   A89
assign ( resid 88 and name c ) ( resid 89 and name n )
       ( resid 89 and name ca) ( resid 89 and name c )
       ( resid 90 and name n )                           54.31 17.02

!!   A90
assign ( resid 89 and name c ) ( resid 90 and name n )
       ( resid 90 and name ca) ( resid 90 and name c )
       ( resid 91 and name n )                           54.24 16.81

!!   A91
assign ( resid 90 and name c ) ( resid 91 and name n )
       ( resid 91 and name ca) ( resid 91 and name c )
       ( resid 92 and name n )                           53.81 17.24

!!   E92
assign ( resid 91 and name c ) ( resid 92 and name n )
       ( resid 92 and name ca) ( resid 92 and name c )
       ( resid 93 and name n )                           58.58 28.30

!!   Q93
assign ( resid 92 and name c ) ( resid 93 and name n )
       ( resid 93 and name ca) ( resid 93 and name c )
       ( resid 94 and name n )                           57.71 27.86

!!   L94
assign ( resid 93 and name c ) ( resid 94 and name n )
       ( resid 94 and name ca) ( resid 94 and name c )
       ( resid 95 and name n )                           57.14 41.09

!!   K95
assign ( resid 94 and name c ) ( resid 95 and name n )
       ( resid 95 and name ca) ( resid 95 and name c )
       ( resid 96 and name n )                           59.81 32.13

!!   T96
assign ( resid 95 and name c ) ( resid 96 and name n )
       ( resid 96 and name ca) ( resid 96 and name c )
       ( resid 97 and name n )                           65.66 67.90

!!   T97
assign ( resid 96 and name c ) ( resid 97 and name n )
       ( resid 97 and name ca) ( resid 97 and name c )
       ( resid 98 and name n )                           65.81 67.40

!!   I98
assign ( resid 97 and name c ) ( resid 98 and name n )
       ( resid 98 and name ca) ( resid 98 and name c )
       ( resid 99 and name n )                           65.95 37.84

!!   R99
assign ( resid 98 and name c ) ( resid 99 and name n )
       ( resid 99 and name ca) ( resid 99 and name c )
       ( resid 100 and name n )                          58.76 29.10

!!   A100
assign ( resid 99 and name c ) ( resid 100 and name n )
       ( resid 100 and name ca)( resid 100 and name c )
       ( resid 101 and name n )                          54.46 17.54

!!   Y101
assign ( resid 100 and name c ) ( resid 101 and name n )
       ( resid 101 and name ca) ( resid 101 and name c )
       ( resid 102 and name n )                          60.53 37.27

!!   N102
assign ( resid 101 and name c ) ( resid 102 and name n )
       ( resid 102 and name ca) ( resid 102 and name c )
       ( resid 103 and name n )                          56.06 38.70

!!   Q103
assign ( resid 102 and name c ) ( resid 103 and name n )
       ( resid 103 and name ca) ( resid 103 and name c )
       ( resid 104 and name n )                          57.92 27.82

!!   K104
assign ( resid 103 and name c ) ( resid 104 and name n )
       ( resid 104 and name ca) ( resid 104 and name c )
       ( resid 105 and name n )                          58.51 33.30

!!   Y105
assign ( resid 104 and name c ) ( resid 105 and name n )
       ( resid 105 and name ca) ( resid 105 and name c )
       ( resid 106 and name n )                          58.25 39.36




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   ALA   1           HA       ALA   1 -16.794   7.946   2.444
    2   1HB   ALA   1          1HB       ALA   1 -18.308   7.159   0.647
    3   2HB   ALA   1          2HB       ALA   1 -16.614   6.877   0.250
    4   3HB   ALA   1          3HB       ALA   1 -17.483   8.221  -0.492
    5    H    ASP   2           H        ASP   2 -15.534  10.066   2.980
    6    HA   ASP   2           HA       ASP   2 -13.866  11.124   0.824
    7   1HB   ASP   2          2HB       ASP   2 -14.673  12.361   2.958
    8   2HB   ASP   2          1HB       ASP   2 -13.354  11.529   3.772
    9    H    LEU   3           H        LEU   3 -11.417  11.346   2.236
   10    HA   LEU   3           HA       LEU   3  -9.955   9.132   1.383
   11   1HB   LEU   3          2HB       LEU   3  -9.546  11.236   3.473
   12   2HB   LEU   3          1HB       LEU   3  -8.409   9.894   3.446
   13    HG   LEU   3           HG       LEU   3  -7.672  11.866   2.087
   14   1HD1  LEU   3          1HD1      LEU   3  -6.669  10.556   0.483
   15   2HD1  LEU   3          2HD1      LEU   3  -8.155   9.713   0.063
   16   3HD1  LEU   3          3HD1      LEU   3  -7.270   9.268   1.520
   17   1HD2  LEU   3          1HD2      LEU   3  -9.865  11.115   0.148
   18   2HD2  LEU   3          2HD2      LEU   3  -8.848  12.554   0.147
   19   3HD2  LEU   3          3HD2      LEU   3 -10.100  12.362   1.374
   20    H    GLU   4           H        GLU   4 -11.693   9.534   4.425
   21    HA   GLU   4           HA       GLU   4 -10.605   7.357   5.860
   22   1HB   GLU   4          2HB       GLU   4 -12.636   7.417   7.181
   23   2HB   GLU   4          1HB       GLU   4 -12.214   9.074   6.748
   24   1HG   GLU   4          2HG       GLU   4 -13.784   8.622   4.662
   25   2HG   GLU   4          1HG       GLU   4 -14.441   7.346   5.688
   26    H    ASP   5           H        ASP   5 -12.898   7.394   3.198
   27    HA   ASP   5           HA       ASP   5 -13.772   4.660   3.629
   28   1HB   ASP   5          2HB       ASP   5 -15.231   6.177   2.417
   29   2HB   ASP   5          1HB       ASP   5 -13.977   6.487   1.218
   30    H    ASN   6           H        ASN   6 -11.298   6.159   1.497
   31    HA   ASN   6           HA       ASN   6 -10.626   3.878  -0.012
   32   1HB   ASN   6          2HB       ASN   6  -9.196   5.525  -0.746
   33   2HB   ASN   6          1HB       ASN   6  -9.287   6.376   0.791
   34   1HD2  ASN   6          1HD2      ASN   6  -7.975   5.147   2.621
   35   2HD2  ASN   6          2HD2      ASN   6  -6.451   4.575   2.157
   36    H    TRP   7           H        TRP   7  -9.770   4.801   3.267
   37    HA   TRP   7           HA       TRP   7  -8.054   2.617   3.899
   38   1HB   TRP   7          2HB       TRP   7  -9.621   4.678   5.353
   39   2HB   TRP   7          1HB       TRP   7  -9.366   3.212   6.286
   40    HD1  TRP   7           HD       TRP   7  -7.341   5.701   4.181
   41    HE1  TRP   7           1HE      TRP   7  -4.998   5.976   5.222
   42    HE3  TRP   7           3HE      TRP   7  -7.670   2.295   7.959
   43    HZ2  TRP   7           2HZ      TRP   7  -3.468   4.887   7.373
   44    HZ3  TRP   7           3HZ      TRP   7  -5.752   1.922   9.485
   45    HH2  TRP   7           HH       TRP   7  -3.648   3.210   9.194
   46    H    GLU   8           H        GLU   8 -11.580   3.013   4.006
   47    HA   GLU   8           HA       GLU   8 -12.238   0.584   5.314
   48   1HB   GLU   8          2HB       GLU   8 -13.805   2.506   4.723
   49   2HB   GLU   8          1HB       GLU   8 -13.866   1.816   3.103
   50   1HG   GLU   8          2HG       GLU   8 -14.675  -0.316   4.016
   51   2HG   GLU   8          1HG       GLU   8 -14.585   0.341   5.650
   52    H    THR   9           H        THR   9 -11.954   1.268   1.803
   53    HA   THR   9           HA       THR   9 -12.518  -1.325   0.844
   54    HB   THR   9           HB       THR   9 -10.302   0.476  -0.218
   55    HG1  THR   9           1HG      THR   9 -12.503   1.413   0.148
   56   1HG2  THR   9          1HG2      THR   9 -10.459  -1.813  -1.170
   57   2HG2  THR   9          2HG2      THR   9 -10.859  -0.572  -2.359
   58   3HG2  THR   9          3HG2      THR   9 -12.144  -1.507  -1.591
   59    H    LEU  10           H        LEU  10  -9.437   0.079   1.834
   60    HA   LEU  10           HA       LEU  10  -7.872  -2.298   1.625
   61   1HB   LEU  10          2HB       LEU  10  -7.674   0.376   2.938
   62   2HB   LEU  10          1HB       LEU  10  -6.561  -0.868   3.500
   63    HG   LEU  10           HG       LEU  10  -6.787  -0.602   0.523
   64   1HD1  LEU  10          1HD1      LEU  10  -6.840   1.743   1.115
   65   2HD1  LEU  10          2HD1      LEU  10  -5.239   1.338   0.499
   66   3HD1  LEU  10          3HD1      LEU  10  -5.494   1.529   2.234
   67   1HD2  LEU  10          1HD2      LEU  10  -4.424  -1.046   0.629
   68   2HD2  LEU  10          2HD2      LEU  10  -5.199  -2.116   1.797
   69   3HD2  LEU  10          3HD2      LEU  10  -4.374  -0.659   2.349
   70    H    ASN  11           H        ASN  11 -10.048  -1.082   4.111
   71    HA   ASN  11           HA       ASN  11  -9.048  -2.656   6.264
   72   1HB   ASN  11          2HB       ASN  11 -10.772  -0.783   6.394
   73   2HB   ASN  11          1HB       ASN  11 -11.952  -1.970   5.820
   74   1HD2  ASN  11          1HD2      ASN  11  -9.317  -3.095   7.871
   75   2HD2  ASN  11          2HD2      ASN  11 -10.248  -3.350   9.256
   76    H    ASP  12           H        ASP  12 -12.055  -3.249   4.474
   77    HA   ASP  12           HA       ASP  12 -12.507  -5.882   5.281
   78   1HB   ASP  12          2HB       ASP  12 -13.005  -4.541   2.636
   79   2HB   ASP  12          1HB       ASP  12 -13.602  -6.159   2.996
   80    H    ASN  13           H        ASN  13 -10.021  -4.646   3.197
   81    HA   ASN  13           HA       ASN  13  -9.604  -7.120   1.783
   82   1HB   ASN  13          2HB       ASN  13  -8.084  -4.581   2.103
   83   2HB   ASN  13          1HB       ASN  13  -7.128  -5.988   1.662
   84   1HD2  ASN  13          1HD2      ASN  13  -9.773  -3.870   0.584
   85   2HD2  ASN  13          2HD2      ASN  13  -9.759  -4.392  -1.030
   86    H    LEU  14           H        LEU  14  -7.642  -5.671   4.451
   87    HA   LEU  14           HA       LEU  14  -6.154  -7.989   5.047
   88   1HB   LEU  14          2HB       LEU  14  -7.145  -5.735   6.792
   89   2HB   LEU  14          1HB       LEU  14  -6.187  -7.051   7.461
   90    HG   LEU  14           HG       LEU  14  -4.786  -5.095   6.864
   91   1HD1  LEU  14          1HD1      LEU  14  -4.064  -7.601   6.525
   92   2HD1  LEU  14          2HD1      LEU  14  -3.031  -6.305   5.935
   93   3HD1  LEU  14          3HD1      LEU  14  -4.067  -7.169   4.812
   94   1HD2  LEU  14          1HD2      LEU  14  -6.314  -4.425   4.961
   95   2HD2  LEU  14          2HD2      LEU  14  -5.516  -5.649   3.980
   96   3HD2  LEU  14          3HD2      LEU  14  -4.598  -4.291   4.633
   97    H    LYS  15           H        LYS  15  -9.411  -7.083   5.926
   98    HA   LYS  15           HA       LYS  15  -9.939  -8.996   7.938
   99   1HB   LYS  15          2HB       LYS  15 -11.406  -7.071   7.179
  100   2HB   LYS  15          1HB       LYS  15 -11.867  -8.061   5.797
  101   1HG   LYS  15          2HG       LYS  15 -12.680  -9.818   7.361
  102   2HG   LYS  15          1HG       LYS  15 -12.291  -8.758   8.714
  103   1HD   LYS  15          2HD       LYS  15 -14.408  -7.913   8.500
  104   2HD   LYS  15          1HD       LYS  15 -13.832  -7.100   7.044
  105   1HE   LYS  15          2HE       LYS  15 -15.787  -8.307   6.401
  106   2HE   LYS  15          1HE       LYS  15 -14.426  -9.239   5.778
  107   1HZ   LYS  15          1HZ       LYS  15 -16.321 -10.391   7.118
  108   2HZ   LYS  15          2HZ       LYS  15 -15.447  -9.835   8.465
  109   3HZ   LYS  15          3HZ       LYS  15 -14.708 -10.869   7.335
  110    H    VAL  16           H        VAL  16 -10.528  -9.297   4.400
  111    HA   VAL  16           HA       VAL  16 -11.433 -11.980   4.633
  112    HB   VAL  16           HB       VAL  16 -10.511 -10.246   2.346
  113   1HG1  VAL  16          1HG1      VAL  16 -11.398 -12.058   0.855
  114   2HG1  VAL  16          2HG1      VAL  16 -11.472 -13.116   2.262
  115   3HG1  VAL  16          3HG1      VAL  16  -9.919 -12.516   1.692
  116   1HG2  VAL  16          1HG2      VAL  16 -13.185 -11.496   3.002
  117   2HG2  VAL  16          2HG2      VAL  16 -12.862 -10.254   1.791
  118   3HG2  VAL  16          3HG2      VAL  16 -12.708  -9.877   3.508
  119    H    ILE  17           H        ILE  17  -8.212 -10.807   3.394
  120    HA   ILE  17           HA       ILE  17  -7.126 -13.395   3.069
  121    HB   ILE  17           HB       ILE  17  -5.047 -11.748   4.276
  122   1HG1  ILE  17          2HG1      ILE  17  -6.797 -10.329   2.238
  123   2HG1  ILE  17          1HG1      ILE  17  -6.614  -9.886   3.930
  124   1HG2  ILE  17          1HG2      ILE  17  -5.612 -12.256   1.343
  125   2HG2  ILE  17          2HG2      ILE  17  -4.823 -13.419   2.410
  126   3HG2  ILE  17          3HG2      ILE  17  -4.056 -11.867   2.077
  127   1HD1  ILE  17          1HD1      ILE  17  -4.701  -9.546   1.665
  128   2HD1  ILE  17          2HD1      ILE  17  -4.017  -9.869   3.257
  129   3HD1  ILE  17          3HD1      ILE  17  -5.047  -8.460   3.009
  130    H    GLU  18           H        GLU  18  -7.336 -11.417   5.997
  131    HA   GLU  18           HA       GLU  18  -6.090 -13.239   7.799
  132   1HB   GLU  18          2HB       GLU  18  -8.319 -11.218   8.185
  133   2HB   GLU  18          1HB       GLU  18  -7.562 -12.081   9.521
  134   1HG   GLU  18          2HG       GLU  18  -5.739 -10.668   7.596
  135   2HG   GLU  18          1HG       GLU  18  -6.684  -9.667   8.695
  136    H    LYS  19           H        LYS  19  -9.352 -13.071   6.437
  137    HA   LYS  19           HA       LYS  19 -10.032 -15.654   7.821
  138   1HB   LYS  19          2HB       LYS  19 -11.861 -13.349   7.085
  139   2HB   LYS  19          1HB       LYS  19 -12.373 -14.856   7.844
  140   1HG   LYS  19          2HG       LYS  19 -11.516 -14.274   9.913
  141   2HG   LYS  19          1HG       LYS  19 -10.163 -13.385   9.228
  142   1HD   LYS  19          2HD       LYS  19 -11.704 -11.854  10.362
  143   2HD   LYS  19          1HD       LYS  19 -11.687 -11.520   8.629
  144   1HE   LYS  19          2HE       LYS  19 -13.996 -11.554   9.545
  145   2HE   LYS  19          1HE       LYS  19 -13.756 -12.827   8.349
  146   1HZ   LYS  19          1HZ       LYS  19 -13.006 -13.813  10.860
  147   2HZ   LYS  19          2HZ       LYS  19 -14.292 -14.318   9.872
  148   3HZ   LYS  19          3HZ       LYS  19 -14.532 -13.091  11.022
  149    H    ALA  20           H        ALA  20  -8.779 -15.368   5.204
  150    HA   ALA  20           HA       ALA  20 -10.691 -15.521   3.082
  151   1HB   ALA  20          1HB       ALA  20  -8.505 -15.136   2.343
  152   2HB   ALA  20          2HB       ALA  20  -8.710 -16.841   1.957
  153   3HB   ALA  20          3HB       ALA  20  -7.823 -16.365   3.405
  154    H    ASP  21           H        ASP  21  -9.790 -17.791   5.496
  155    HA   ASP  21           HA       ASP  21 -10.559 -19.948   5.952
  156   1HB   ASP  21          2HB       ASP  21 -12.397 -19.750   3.563
  157   2HB   ASP  21          1HB       ASP  21 -12.640 -20.621   5.076
  158    H    ASN  22           H        ASN  22  -9.819 -19.115   2.615
  159    HA   ASN  22           HA       ASN  22  -8.179 -21.553   2.386
  160   1HB   ASN  22          2HB       ASN  22 -10.229 -21.010   0.231
  161   2HB   ASN  22          1HB       ASN  22  -9.262 -22.464   0.485
  162   1HD2  ASN  22          1HD2      ASN  22 -12.112 -20.703   1.579
  163   2HD2  ASN  22          2HD2      ASN  22 -12.726 -21.942   2.565
  164    H    ALA  23           H        ALA  23  -6.618 -21.375   0.672
  165    HA   ALA  23           HA       ALA  23  -5.551 -18.823   0.198
  166   1HB   ALA  23          1HB       ALA  23  -4.249 -19.861  -1.613
  167   2HB   ALA  23          2HB       ALA  23  -5.342 -21.245  -1.616
  168   3HB   ALA  23          3HB       ALA  23  -4.318 -20.935  -0.216
  169    H    ALA  24           H        ALA  24  -8.350 -20.223  -1.190
  170    HA   ALA  24           HA       ALA  24  -8.289 -18.901  -3.746
  171   1HB   ALA  24          1HB       ALA  24  -9.804 -20.834  -3.055
  172   2HB   ALA  24          2HB       ALA  24 -10.592 -19.531  -3.945
  173   3HB   ALA  24          3HB       ALA  24 -10.783 -19.645  -2.196
  174    H    GLN  25           H        GLN  25 -10.176 -18.048  -0.779
  175    HA   GLN  25           HA       GLN  25 -11.003 -15.520  -1.848
  176   1HB   GLN  25          2HB       GLN  25 -10.789 -16.543   0.983
  177   2HB   GLN  25          1HB       GLN  25 -11.420 -14.947   0.598
  178   1HG   GLN  25          2HG       GLN  25 -13.457 -15.826   0.067
  179   2HG   GLN  25          1HG       GLN  25 -12.727 -16.912  -1.111
  180   1HE2  GLN  25          1HE2      GLN  25 -12.247 -19.107  -0.429
  181   2HE2  GLN  25          2HE2      GLN  25 -12.826 -19.736   1.037
  182    H    VAL  26           H        VAL  26  -7.951 -16.541  -0.686
  183    HA   VAL  26           HA       VAL  26  -7.040 -13.998   0.350
  184    HB   VAL  26           HB       VAL  26  -5.662 -16.493  -0.664
  185   1HG1  VAL  26          1HG1      VAL  26  -4.442 -13.870   0.154
  186   2HG1  VAL  26          2HG1      VAL  26  -4.103 -14.843  -1.273
  187   3HG1  VAL  26          3HG1      VAL  26  -3.553 -15.384   0.312
  188   1HG2  VAL  26          1HG2      VAL  26  -6.453 -16.931   1.488
  189   2HG2  VAL  26          2HG2      VAL  26  -6.190 -15.280   2.040
  190   3HG2  VAL  26          3HG2      VAL  26  -4.821 -16.364   1.819
  191    H    LYS  27           H        LYS  27  -6.587 -15.707  -2.749
  192    HA   LYS  27           HA       LYS  27  -5.188 -13.685  -4.125
  193   1HB   LYS  27          2HB       LYS  27  -7.296 -15.492  -5.341
  194   2HB   LYS  27          1HB       LYS  27  -5.934 -14.741  -6.171
  195   1HG   LYS  27          2HG       LYS  27  -4.357 -16.087  -4.957
  196   2HG   LYS  27          1HG       LYS  27  -5.600 -16.688  -3.880
  197   1HD   LYS  27          2HD       LYS  27  -4.924 -18.304  -5.711
  198   2HD   LYS  27          1HD       LYS  27  -6.648 -17.955  -5.624
  199   1HE   LYS  27          2HE       LYS  27  -6.576 -16.543  -7.523
  200   2HE   LYS  27          1HE       LYS  27  -4.821 -16.385  -7.445
  201   1HZ   LYS  27          1HZ       LYS  27  -6.008 -18.043  -9.103
  202   2HZ   LYS  27          2HZ       LYS  27  -5.917 -19.075  -7.757
  203   3HZ   LYS  27          3HZ       LYS  27  -4.502 -18.396  -8.409
  204    H    ASP  28           H        ASP  28  -8.612 -14.127  -3.567
  205    HA   ASP  28           HA       ASP  28  -9.604 -12.092  -5.292
  206   1HB   ASP  28          2HB       ASP  28 -10.678 -13.958  -3.539
  207   2HB   ASP  28          1HB       ASP  28 -11.084 -12.451  -2.750
  208    H    ALA  29           H        ALA  29  -9.208 -11.902  -1.748
  209    HA   ALA  29           HA       ALA  29  -9.619  -9.159  -1.449
  210   1HB   ALA  29          1HB       ALA  29  -9.290 -10.713   0.425
  211   2HB   ALA  29          2HB       ALA  29  -8.251  -9.300   0.582
  212   3HB   ALA  29          3HB       ALA  29  -7.579 -10.835   0.031
  213    H    LEU  30           H        LEU  30  -6.458 -10.737  -2.060
  214    HA   LEU  30           HA       LEU  30  -4.971  -8.334  -2.131
  215   1HB   LEU  30          2HB       LEU  30  -4.527 -10.979  -3.517
  216   2HB   LEU  30          1HB       LEU  30  -3.322  -9.673  -3.530
  217    HG   LEU  30           HG       LEU  30  -4.508 -10.652  -0.912
  218   1HD1  LEU  30          1HD1      LEU  30  -2.800 -12.290  -0.657
  219   2HD1  LEU  30          2HD1      LEU  30  -1.971 -11.754  -2.112
  220   3HD1  LEU  30          3HD1      LEU  30  -3.516 -12.593  -2.238
  221   1HD2  LEU  30          1HD2      LEU  30  -2.178  -9.921  -0.141
  222   2HD2  LEU  30          2HD2      LEU  30  -3.239  -8.628  -0.686
  223   3HD2  LEU  30          3HD2      LEU  30  -1.962  -9.222  -1.744
  224    H    THR  31           H        THR  31  -6.863  -9.905  -4.671
  225    HA   THR  31           HA       THR  31  -5.933  -8.244  -6.802
  226    HB   THR  31           HB       THR  31  -8.527  -9.740  -6.372
  227    HG1  THR  31           1HG      THR  31  -7.020 -11.200  -6.734
  228   1HG2  THR  31          1HG2      THR  31  -8.718  -9.444  -8.897
  229   2HG2  THR  31          2HG2      THR  31  -7.520  -8.162  -8.730
  230   3HG2  THR  31          3HG2      THR  31  -9.077  -8.026  -7.914
  231    H    LYS  32           H        LYS  32  -8.305  -7.765  -4.233
  232    HA   LYS  32           HA       LYS  32  -9.430  -5.363  -5.456
  233   1HB   LYS  32          2HB       LYS  32  -9.576  -5.740  -2.477
  234   2HB   LYS  32          1HB       LYS  32 -10.809  -5.163  -3.589
  235   1HG   LYS  32          2HG       LYS  32  -9.875  -8.030  -3.454
  236   2HG   LYS  32          1HG       LYS  32 -11.271  -7.428  -2.595
  237   1HD   LYS  32          2HD       LYS  32 -12.552  -7.227  -4.509
  238   2HD   LYS  32          1HD       LYS  32 -11.172  -6.864  -5.535
  239   1HE   LYS  32          2HE       LYS  32 -10.718  -9.095  -5.949
  240   2HE   LYS  32          1HE       LYS  32 -11.301  -9.629  -4.373
  241   1HZ   LYS  32          1HZ       LYS  32 -13.503  -9.504  -5.067
  242   2HZ   LYS  32          2HZ       LYS  32 -12.700 -10.179  -6.403
  243   3HZ   LYS  32          3HZ       LYS  32 -13.140  -8.538  -6.412
  244    H    MET  33           H        MET  33  -6.957  -6.108  -3.015
  245    HA   MET  33           HA       MET  33  -6.274  -3.462  -2.282
  246   1HB   MET  33          2HB       MET  33  -4.806  -6.065  -2.474
  247   2HB   MET  33          1HB       MET  33  -3.860  -4.608  -2.186
  248   1HG   MET  33          2HG       MET  33  -4.543  -4.464  -0.009
  249   2HG   MET  33          1HG       MET  33  -6.219  -4.767  -0.419
  250   1HE   MET  33          1HE       MET  33  -2.797  -6.227   0.538
  251   2HE   MET  33          2HE       MET  33  -3.374  -7.503   1.605
  252   3HE   MET  33          3HE       MET  33  -3.866  -5.836   1.891
  253    H    ARG  34           H        ARG  34  -5.344  -5.399  -5.135
  254    HA   ARG  34           HA       ARG  34  -3.448  -3.632  -6.272
  255   1HB   ARG  34          2HB       ARG  34  -5.250  -5.739  -7.186
  256   2HB   ARG  34          1HB       ARG  34  -5.134  -4.493  -8.411
  257   1HG   ARG  34          2HG       ARG  34  -3.362  -5.855  -9.039
  258   2HG   ARG  34          1HG       ARG  34  -2.510  -4.764  -7.957
  259   1HD   ARG  34          2HD       ARG  34  -3.545  -7.541  -7.341
  260   2HD   ARG  34          1HD       ARG  34  -1.868  -7.004  -7.359
  261    HE   ARG  34           HE       ARG  34  -3.714  -6.711  -5.150
  262   1HH1  ARG  34          1HH2      ARG  34  -1.090  -5.269  -6.859
  263   2HH1  ARG  34          2HH2      ARG  34  -0.497  -4.403  -5.482
  264   1HH2  ARG  34          1HH1      ARG  34  -2.959  -5.587  -3.352
  265   2HH2  ARG  34          2HH1      ARG  34  -1.558  -4.580  -3.497
  266    H    ALA  35           H        ALA  35  -6.978  -3.635  -6.519
  267    HA   ALA  35           HA       ALA  35  -7.143  -1.175  -8.017
  268   1HB   ALA  35          1HB       ALA  35  -9.308  -2.197  -6.179
  269   2HB   ALA  35          2HB       ALA  35  -8.923  -3.030  -7.686
  270   3HB   ALA  35          3HB       ALA  35  -9.477  -1.354  -7.720
  271    H    ALA  36           H        ALA  36  -7.750  -1.888  -4.565
  272    HA   ALA  36           HA       ALA  36  -8.051   0.849  -3.768
  273   1HB   ALA  36          1HB       ALA  36  -8.595  -1.417  -2.528
  274   2HB   ALA  36          2HB       ALA  36  -8.173   0.018  -1.595
  275   3HB   ALA  36          3HB       ALA  36  -6.964  -1.232  -1.887
  276    H    ALA  37           H        ALA  37  -5.262  -1.118  -4.454
  277    HA   ALA  37           HA       ALA  37  -3.325   0.287  -2.865
  278   1HB   ALA  37          1HB       ALA  37  -3.114  -1.401  -5.360
  279   2HB   ALA  37          2HB       ALA  37  -2.709  -1.849  -3.703
  280   3HB   ALA  37          3HB       ALA  37  -1.703  -0.694  -4.575
  281    H    LEU  38           H        LEU  38  -3.414   0.369  -6.425
  282    HA   LEU  38           HA       LEU  38  -1.986   2.833  -6.538
  283   1HB   LEU  38          2HB       LEU  38  -3.854   1.745  -8.657
  284   2HB   LEU  38          1HB       LEU  38  -2.546   2.909  -8.887
  285    HG   LEU  38           HG       LEU  38  -1.892   0.224  -7.665
  286   1HD1  LEU  38          1HD1      LEU  38  -1.414  -0.535 -10.080
  287   2HD1  LEU  38          2HD1      LEU  38  -2.507   0.759 -10.574
  288   3HD1  LEU  38          3HD1      LEU  38  -3.096  -0.551  -9.550
  289   1HD2  LEU  38          1HD2      LEU  38   0.275   0.687  -8.368
  290   2HD2  LEU  38          2HD2      LEU  38  -0.314   2.322  -8.078
  291   3HD2  LEU  38          3HD2      LEU  38  -0.253   1.686  -9.720
  292    H    ASP  39           H        ASP  39  -5.368   2.150  -6.069
  293    HA   ASP  39           HA       ASP  39  -6.413   4.691  -6.896
  294   1HB   ASP  39          2HB       ASP  39  -7.892   2.784  -6.305
  295   2HB   ASP  39          1HB       ASP  39  -7.341   2.884  -4.633
  296    H    ALA  40           H        ALA  40  -4.928   3.459  -3.932
  297    HA   ALA  40           HA       ALA  40  -5.196   5.862  -2.404
  298   1HB   ALA  40          1HB       ALA  40  -4.543   3.723  -1.364
  299   2HB   ALA  40          2HB       ALA  40  -3.348   4.978  -1.034
  300   3HB   ALA  40          3HB       ALA  40  -3.020   3.753  -2.257
  301    H    GLN  41           H        GLN  41  -3.091   4.897  -5.038
  302    HA   GLN  41           HA       GLN  41  -0.889   6.631  -4.784
  303   1HB   GLN  41          2HB       GLN  41  -1.507   5.056  -6.795
  304   2HB   GLN  41          1HB       GLN  41  -2.409   6.440  -7.406
  305   1HG   GLN  41          2HG       GLN  41   0.558   6.456  -6.734
  306   2HG   GLN  41          1HG       GLN  41  -0.129   6.340  -8.352
  307   1HE2  GLN  41          1HE2      GLN  41  -1.469   8.231  -9.101
  308   2HE2  GLN  41          2HE2      GLN  41  -1.123   9.773  -8.478
  309    H    LYS  42           H        LYS  42  -4.185   7.278  -5.819
  310    HA   LYS  42           HA       LYS  42  -3.679  10.240  -5.629
  311   1HB   LYS  42          2HB       LYS  42  -5.762   8.648  -7.144
  312   2HB   LYS  42          1HB       LYS  42  -5.794  10.403  -6.984
  313   1HG   LYS  42          2HG       LYS  42  -3.717  10.650  -8.129
  314   2HG   LYS  42          1HG       LYS  42  -3.382   8.924  -8.031
  315   1HD   LYS  42          2HD       LYS  42  -5.876   9.825  -9.454
  316   2HD   LYS  42          1HD       LYS  42  -4.324   9.983 -10.268
  317   1HE   LYS  42          2HE       LYS  42  -3.946   7.677 -10.311
  318   2HE   LYS  42          1HE       LYS  42  -5.049   7.370  -8.971
  319   1HZ   LYS  42          1HZ       LYS  42  -5.623   7.173 -11.646
  320   2HZ   LYS  42          2HZ       LYS  42  -6.384   8.611 -11.154
  321   3HZ   LYS  42          3HZ       LYS  42  -6.739   7.147 -10.370
  322    H    ALA  43           H        ALA  43  -4.364   8.263  -3.399
  323    HA   ALA  43           HA       ALA  43  -6.309   9.951  -2.066
  324   1HB   ALA  43          1HB       ALA  43  -7.177   7.100  -2.564
  325   2HB   ALA  43          2HB       ALA  43  -7.713   8.438  -3.579
  326   3HB   ALA  43          3HB       ALA  43  -8.119   8.413  -1.866
  327    H    THR  44           H        THR  44  -4.079   9.753  -0.995
  328    HA   THR  44           HA       THR  44  -4.061   7.465   0.951
  329    HB   THR  44           HB       THR  44  -2.200   7.124  -0.448
  330    HG1  THR  44           1HG      THR  44  -0.573   8.600   1.025
  331   1HG2  THR  44          1HG2      THR  44  -1.865   8.861  -1.904
  332   2HG2  THR  44          2HG2      THR  44  -0.651   9.341  -0.723
  333   3HG2  THR  44          3HG2      THR  44  -2.243  10.080  -0.691
  334    HA   PRO  45           HA       PRO  45  -4.437  10.129   4.441
  335   1HB   PRO  45          2HB       PRO  45  -1.576   9.347   5.030
  336   2HB   PRO  45          1HB       PRO  45  -2.938   9.559   6.153
  337   1HG   PRO  45          2HG       PRO  45  -2.270   7.145   5.307
  338   2HG   PRO  45          1HG       PRO  45  -3.976   7.604   5.473
  339   1HD   PRO  45          2HD       PRO  45  -2.386   7.194   2.994
  340   2HD   PRO  45          1HD       PRO  45  -4.139   7.061   3.230
  341    HA   PRO  46           HA       PRO  46  -1.318  13.481   3.400
  342   1HB   PRO  46          2HB       PRO  46   0.899  12.834   1.814
  343   2HB   PRO  46          1HB       PRO  46   0.857  12.746   3.584
  344   1HG   PRO  46          2HG       PRO  46   1.093  10.565   1.782
  345   2HG   PRO  46          1HG       PRO  46   0.863  10.483   3.537
  346   1HD   PRO  46          2HD       PRO  46  -1.177  10.289   1.363
  347   2HD   PRO  46          1HD       PRO  46  -1.114   9.444   2.920
  348    H    LYS  47           H        LYS  47  -2.781  11.685   1.050
  349    HA   LYS  47           HA       LYS  47  -3.354  12.027  -1.181
  350   1HB   LYS  47          2HB       LYS  47  -3.610  14.958  -0.973
  351   2HB   LYS  47          1HB       LYS  47  -4.833  13.749  -1.308
  352   1HG   LYS  47          2HG       LYS  47  -5.637  14.417   0.727
  353   2HG   LYS  47          1HG       LYS  47  -4.494  13.232   1.322
  354   1HD   LYS  47          2HD       LYS  47  -3.509  14.900   2.544
  355   2HD   LYS  47          1HD       LYS  47  -2.967  15.636   1.041
  356   1HE   LYS  47          2HE       LYS  47  -4.978  16.982   0.901
  357   2HE   LYS  47          1HE       LYS  47  -5.692  16.141   2.276
  358   1HZ   LYS  47          1HZ       LYS  47  -4.356  17.207   3.749
  359   2HZ   LYS  47          2HZ       LYS  47  -4.438  18.415   2.556
  360   3HZ   LYS  47          3HZ       LYS  47  -3.079  17.400   2.649
  361    H    LEU  48           H        LEU  48  -0.412  12.491  -0.417
  362    HA   LEU  48           HA       LEU  48   1.530  13.397  -1.376
  363   1HB   LEU  48          2HB       LEU  48   0.638  11.617  -3.018
  364   2HB   LEU  48          1HB       LEU  48   0.068  12.962  -3.992
  365    HG   LEU  48           HG       LEU  48   2.262  12.144  -4.773
  366   1HD1  LEU  48          1HD1      LEU  48   3.268  14.233  -5.092
  367   2HD1  LEU  48          2HD1      LEU  48   2.773  14.829  -3.511
  368   3HD1  LEU  48          3HD1      LEU  48   1.582  14.632  -4.793
  369   1HD2  LEU  48          1HD2      LEU  48   2.955  11.545  -2.303
  370   2HD2  LEU  48          2HD2      LEU  48   3.599  13.189  -2.289
  371   3HD2  LEU  48          3HD2      LEU  48   4.179  12.028  -3.475
  372    H    GLU  49           H        GLU  49  -0.616  14.590  -3.959
  373    HA   GLU  49           HA       GLU  49   0.512  17.224  -3.845
  374   1HB   GLU  49          2HB       GLU  49  -2.224  16.469  -4.908
  375   2HB   GLU  49          1HB       GLU  49  -1.267  17.883  -5.339
  376   1HG   GLU  49          2HG       GLU  49  -0.904  16.376  -7.126
  377   2HG   GLU  49          1HG       GLU  49   0.531  16.206  -6.121
  378    H    ASP  50           H        ASP  50   0.343  18.239  -1.859
  379    HA   ASP  50           HA       ASP  50  -2.233  18.170  -0.383
  380   1HB   ASP  50          2HB       ASP  50   0.432  19.486   0.259
  381   2HB   ASP  50          1HB       ASP  50  -0.965  19.452   1.332
  382    H    LYS  51           H        LYS  51  -0.856  19.888  -2.855
  383    HA   LYS  51           HA       LYS  51  -2.837  22.001  -2.761
  384   1HB   LYS  51          2HB       LYS  51  -1.154  23.876  -2.725
  385   2HB   LYS  51          1HB       LYS  51  -1.300  23.022  -1.191
  386   1HG   LYS  51          2HG       LYS  51   0.708  21.574  -2.497
  387   2HG   LYS  51          1HG       LYS  51   1.030  23.230  -3.006
  388   1HD   LYS  51          2HD       LYS  51   1.077  23.960  -0.655
  389   2HD   LYS  51          1HD       LYS  51   0.729  22.311  -0.130
  390   1HE   LYS  51          2HE       LYS  51   3.158  22.817  -0.017
  391   2HE   LYS  51          1HE       LYS  51   2.811  21.520  -1.162
  392   1HZ   LYS  51          1HZ       LYS  51   2.749  24.200  -2.260
  393   2HZ   LYS  51          2HZ       LYS  51   3.412  22.774  -2.902
  394   3HZ   LYS  51          3HZ       LYS  51   4.276  23.671  -1.747
  395    H    SER  52           H        SER  52   0.474  21.936  -4.101
  396    HA   SER  52           HA       SER  52  -0.228  20.890  -6.624
  397   1HB   SER  52          2HB       SER  52  -0.376  23.864  -6.279
  398   2HB   SER  52          1HB       SER  52   0.180  23.212  -7.819
  399    HG   SER  52           HG       SER  52  -1.798  22.665  -8.247
  400    HA   PRO  53           HA       PRO  53   4.284  21.422  -5.169
  401   1HB   PRO  53          2HB       PRO  53   4.212  18.553  -6.057
  402   2HB   PRO  53          1HB       PRO  53   5.027  19.278  -4.658
  403   1HG   PRO  53          2HG       PRO  53   2.785  17.872  -4.368
  404   2HG   PRO  53          1HG       PRO  53   3.095  19.317  -3.389
  405   1HD   PRO  53          2HD       PRO  53   1.236  18.983  -5.718
  406   2HD   PRO  53          1HD       PRO  53   1.067  19.999  -4.272
  407    H    ASP  54           H        ASP  54   3.581  19.073  -7.759
  408    HA   ASP  54           HA       ASP  54   4.813  20.912  -9.761
  409   1HB   ASP  54          2HB       ASP  54   5.531  17.972  -9.501
  410   2HB   ASP  54          1HB       ASP  54   6.242  19.153 -10.606
  411    H    SER  55           H        SER  55   3.441  17.642  -9.443
  412    HA   SER  55           HA       SER  55   1.220  17.089 -10.229
  413   1HB   SER  55          2HB       SER  55   0.251  17.952 -12.228
  414   2HB   SER  55          1HB       SER  55   0.830  19.316 -11.289
  415    HG   SER  55           HG       SER  55   2.188  19.760 -12.838
  416    HA   PRO  56           HA       PRO  56   3.336  14.632 -13.667
  417   1HB   PRO  56          2HB       PRO  56   6.148  15.389 -13.931
  418   2HB   PRO  56          1HB       PRO  56   4.877  15.464 -15.166
  419   1HG   PRO  56          2HG       PRO  56   6.058  17.670 -14.073
  420   2HG   PRO  56          1HG       PRO  56   4.408  17.660 -14.726
  421   1HD   PRO  56          2HD       PRO  56   5.300  17.439 -11.860
  422   2HD   PRO  56          1HD       PRO  56   3.988  18.392 -12.563
  423    H    GLU  57           H        GLU  57   5.593  15.751 -11.183
  424    HA   GLU  57           HA       GLU  57   6.962  13.320 -10.680
  425   1HB   GLU  57          2HB       GLU  57   7.417  15.710  -9.761
  426   2HB   GLU  57          1HB       GLU  57   6.257  15.295  -8.501
  427   1HG   GLU  57          2HG       GLU  57   7.592  13.366  -7.839
  428   2HG   GLU  57          1HG       GLU  57   8.716  13.647  -9.170
  429    H    MET  58           H        MET  58   3.701  13.837 -10.462
  430    HA   MET  58           HA       MET  58   3.078  12.554  -7.965
  431   1HB   MET  58          2HB       MET  58   1.317  13.803  -8.943
  432   2HB   MET  58          1HB       MET  58   1.530  13.045 -10.517
  433   1HG   MET  58          2HG       MET  58   0.507  11.031  -9.820
  434   2HG   MET  58          1HG       MET  58   0.739  11.401  -8.112
  435   1HE   MET  58          1HE       MET  58  -1.271  12.140 -11.365
  436   2HE   MET  58          2HE       MET  58  -2.866  12.148 -10.616
  437   3HE   MET  58          3HE       MET  58  -1.808  10.757 -10.403
  438    H    LYS  59           H        LYS  59   2.941  11.185 -11.328
  439    HA   LYS  59           HA       LYS  59   2.465   8.551 -10.473
  440   1HB   LYS  59          2HB       LYS  59   2.827   9.637 -12.926
  441   2HB   LYS  59          1HB       LYS  59   4.398   8.867 -12.745
  442   1HG   LYS  59          2HG       LYS  59   3.345   6.977 -13.528
  443   2HG   LYS  59          1HG       LYS  59   2.689   6.822 -11.895
  444   1HD   LYS  59          2HD       LYS  59   0.715   8.170 -12.608
  445   2HD   LYS  59          1HD       LYS  59   1.372   8.238 -14.245
  446   1HE   LYS  59          2HE       LYS  59   1.289   5.809 -14.423
  447   2HE   LYS  59          1HE       LYS  59   0.744   5.684 -12.750
  448   1HZ   LYS  59          1HZ       LYS  59  -0.829   5.971 -15.000
  449   2HZ   LYS  59          2HZ       LYS  59  -0.901   7.472 -14.208
  450   3HZ   LYS  59          3HZ       LYS  59  -1.335   6.052 -13.384
  451    H    ASP  60           H        ASP  60   5.521  10.365 -10.533
  452    HA   ASP  60           HA       ASP  60   7.267   8.181  -9.997
  453   1HB   ASP  60          2HB       ASP  60   7.446  11.030  -8.948
  454   2HB   ASP  60          1HB       ASP  60   8.758   9.854  -8.940
  455    H    PHE  61           H        PHE  61   5.142  10.110  -7.907
  456    HA   PHE  61           HA       PHE  61   5.963   9.031  -5.414
  457   1HB   PHE  61          2HB       PHE  61   4.315  10.911  -5.642
  458   2HB   PHE  61          1HB       PHE  61   3.140   9.767  -6.263
  459    HD1  PHE  61           1HD      PHE  61   1.499   9.236  -4.724
  460    HD2  PHE  61           2HD      PHE  61   5.535   9.747  -3.325
  461    HE1  PHE  61           1HE      PHE  61   0.781   8.671  -2.443
  462    HE2  PHE  61           2HE      PHE  61   4.804   9.166  -1.034
  463    HZ   PHE  61           HZ       PHE  61   2.423   8.629  -0.588
  464    H    ARG  62           H        ARG  62   3.939   7.787  -8.017
  465    HA   ARG  62           HA       ARG  62   2.908   5.450  -6.765
  466   1HB   ARG  62          2HB       ARG  62   2.592   6.370  -9.236
  467   2HB   ARG  62          1HB       ARG  62   3.974   5.333  -9.588
  468   1HG   ARG  62          2HG       ARG  62   2.704   3.428  -8.451
  469   2HG   ARG  62          1HG       ARG  62   1.312   4.515  -8.433
  470   1HD   ARG  62          2HD       ARG  62   2.394   4.533 -11.102
  471   2HD   ARG  62          1HD       ARG  62   2.149   2.861 -10.598
  472    HE   ARG  62           HE       ARG  62  -0.121   4.593  -9.990
  473   1HH1  ARG  62          1HH2      ARG  62   1.489   2.619 -12.316
  474   2HH1  ARG  62          2HH2      ARG  62   0.049   2.274 -13.213
  475   1HH2  ARG  62          1HH1      ARG  62  -2.007   4.154 -11.150
  476   2HH2  ARG  62          2HH1      ARG  62  -1.931   3.141 -12.553
  477    H    HIS  63           H        HIS  63   6.065   6.241  -8.124
  478    HA   HIS  63           HA       HIS  63   7.273   3.711  -8.111
  479   1HB   HIS  63          2HB       HIS  63   8.267   6.033  -8.760
  480   2HB   HIS  63          1HB       HIS  63   8.731   6.145  -7.064
  481    HD1  HIS  63           1HD      HIS  63   8.807   3.117  -9.378
  482    HD2  HIS  63           2HD      HIS  63  11.417   5.441  -7.105
  483    HE1  HIS  63           1HE      HIS  63  11.073   1.994  -9.517
  484    H    GLY  64           H        GLY  64   6.819   5.983  -5.395
  485   1HA   GLY  64          2HA       GLY  64   8.131   4.314  -3.432
  486   2HA   GLY  64          1HA       GLY  64   6.986   5.608  -3.065
  487    H    PHE  65           H        PHE  65   4.690   4.791  -4.252
  488    HA   PHE  65           HA       PHE  65   3.638   2.752  -2.496
  489   1HB   PHE  65          2HB       PHE  65   2.743   4.502  -4.697
  490   2HB   PHE  65          1HB       PHE  65   1.935   2.948  -4.738
  491    HD1  PHE  65           1HD      PHE  65   2.454   6.051  -2.870
  492    HD2  PHE  65           2HD      PHE  65   0.500   2.252  -2.917
  493    HE1  PHE  65           1HE      PHE  65   0.930   6.815  -1.092
  494    HE2  PHE  65           2HE      PHE  65  -1.052   3.008  -1.140
  495    HZ   PHE  65           HZ       PHE  65  -0.844   5.302  -0.236
  496    H    ASP  66           H        ASP  66   4.907   2.787  -5.772
  497    HA   ASP  66           HA       ASP  66   4.021   0.294  -6.679
  498   1HB   ASP  66          2HB       ASP  66   5.321   1.991  -8.021
  499   2HB   ASP  66          1HB       ASP  66   6.780   1.437  -7.203
  500    H    ILE  67           H        ILE  67   6.739   1.168  -4.580
  501    HA   ILE  67           HA       ILE  67   7.929  -1.442  -4.418
  502    HB   ILE  67           HB       ILE  67   7.954   0.584  -2.166
  503   1HG1  ILE  67          2HG1      ILE  67   9.177   0.776  -4.913
  504   2HG1  ILE  67          1HG1      ILE  67   8.560   2.044  -3.861
  505   1HG2  ILE  67          1HG2      ILE  67   8.986  -1.753  -1.986
  506   2HG2  ILE  67          2HG2      ILE  67  10.065  -0.402  -1.638
  507   3HG2  ILE  67          3HG2      ILE  67  10.157  -1.225  -3.195
  508   1HD1  ILE  67          1HD1      ILE  67  10.903   2.367  -3.855
  509   2HD1  ILE  67          2HD1      ILE  67  11.224   0.639  -3.702
  510   3HD1  ILE  67          3HD1      ILE  67  10.566   1.539  -2.335
  511    H    LEU  68           H        LEU  68   6.076   0.246  -1.859
  512    HA   LEU  68           HA       LEU  68   5.599  -2.074  -0.344
  513   1HB   LEU  68          2HB       LEU  68   4.075  -0.800   0.945
  514   2HB   LEU  68          1HB       LEU  68   5.249   0.355   0.328
  515    HG   LEU  68           HG       LEU  68   3.460   0.603  -1.641
  516   1HD1  LEU  68          1HD1      LEU  68   1.158   0.641  -0.565
  517   2HD1  LEU  68          2HD1      LEU  68   1.836  -0.317   0.749
  518   3HD1  LEU  68          3HD1      LEU  68   1.799  -0.962  -0.889
  519   1HD2  LEU  68          1HD2      LEU  68   2.491   2.534  -0.324
  520   2HD2  LEU  68          2HD2      LEU  68   4.253   2.465  -0.262
  521   3HD2  LEU  68          3HD2      LEU  68   3.305   1.906   1.113
  522    H    VAL  69           H        VAL  69   3.537  -0.686  -2.926
  523    HA   VAL  69           HA       VAL  69   1.515  -2.706  -2.725
  524    HB   VAL  69           HB       VAL  69   2.351  -0.956  -5.057
  525   1HG1  VAL  69          1HG1      VAL  69   1.128  -2.850  -5.916
  526   2HG1  VAL  69          2HG1      VAL  69   0.042  -1.468  -5.881
  527   3HG1  VAL  69          3HG1      VAL  69  -0.074  -2.710  -4.635
  528   1HG2  VAL  69          1HG2      VAL  69   0.456   0.418  -4.355
  529   2HG2  VAL  69          2HG2      VAL  69   1.571   0.211  -3.003
  530   3HG2  VAL  69          3HG2      VAL  69   0.077  -0.723  -3.065
  531    H    GLY  70           H        GLY  70   4.714  -2.752  -4.031
  532   1HA   GLY  70          2HA       GLY  70   4.320  -4.777  -6.040
  533   2HA   GLY  70          1HA       GLY  70   5.864  -4.356  -5.305
  534    H    GLN  71           H        GLN  71   5.505  -5.037  -2.661
  535    HA   GLN  71           HA       GLN  71   5.641  -7.917  -2.857
  536   1HB   GLN  71          2HB       GLN  71   5.789  -7.776  -0.308
  537   2HB   GLN  71          1HB       GLN  71   7.057  -6.962  -1.219
  538   1HG   GLN  71          2HG       GLN  71   5.905  -4.812  -0.949
  539   2HG   GLN  71          1HG       GLN  71   4.586  -5.613  -0.091
  540   1HE2  GLN  71          1HE2      GLN  71   6.747  -7.477   1.148
  541   2HE2  GLN  71          2HE2      GLN  71   7.390  -6.544   2.411
  542    H    ILE  72           H        ILE  72   3.022  -5.717  -2.149
  543    HA   ILE  72           HA       ILE  72   1.386  -7.535  -0.646
  544    HB   ILE  72           HB       ILE  72   0.601  -5.367  -2.627
  545   1HG1  ILE  72          2HG1      ILE  72   0.491  -5.416   0.407
  546   2HG1  ILE  72          1HG1      ILE  72   1.795  -4.675  -0.510
  547   1HG2  ILE  72          1HG2      ILE  72  -1.068  -7.079  -0.765
  548   2HG2  ILE  72          2HG2      ILE  72  -1.260  -6.885  -2.504
  549   3HG2  ILE  72          3HG2      ILE  72  -1.649  -5.551  -1.424
  550   1HD1  ILE  72          1HD1      ILE  72  -0.410  -3.506  -1.686
  551   2HD1  ILE  72          2HD1      ILE  72   0.512  -2.795  -0.369
  552   3HD1  ILE  72          3HD1      ILE  72  -0.949  -3.701  -0.021
  553    H    ASP  73           H        ASP  73   1.222  -6.747  -4.126
  554    HA   ASP  73           HA       ASP  73  -0.459  -8.908  -4.871
  555   1HB   ASP  73          2HB       ASP  73   0.280  -8.479  -7.139
  556   2HB   ASP  73          1HB       ASP  73   0.208  -6.927  -6.311
  557    H    ASP  74           H        ASP  74   3.068  -8.786  -4.335
  558    HA   ASP  74           HA       ASP  74   3.554 -11.315  -5.569
  559   1HB   ASP  74          2HB       ASP  74   5.343  -9.705  -4.884
  560   2HB   ASP  74          1HB       ASP  74   5.038 -10.139  -3.198
  561    H    ALA  75           H        ALA  75   2.000 -10.410  -2.624
  562    HA   ALA  75           HA       ALA  75   2.281 -12.998  -1.332
  563   1HB   ALA  75          1HB       ALA  75   0.532 -12.264   0.160
  564   2HB   ALA  75          2HB       ALA  75   0.069 -10.966  -0.941
  565   3HB   ALA  75          3HB       ALA  75   1.621 -10.903  -0.103
  566    H    LEU  76           H        LEU  76   0.168 -11.407  -3.586
  567    HA   LEU  76           HA       LEU  76  -1.951 -13.314  -3.816
  568   1HB   LEU  76          2HB       LEU  76  -1.667 -10.913  -4.810
  569   2HB   LEU  76          1HB       LEU  76  -0.787 -11.702  -6.112
  570    HG   LEU  76           HG       LEU  76  -3.542 -12.667  -5.343
  571   1HD1  LEU  76          1HD1      LEU  76  -3.899 -10.307  -5.694
  572   2HD1  LEU  76          2HD1      LEU  76  -4.415 -11.141  -7.159
  573   3HD1  LEU  76          3HD1      LEU  76  -2.859 -10.314  -7.118
  574   1HD2  LEU  76          1HD2      LEU  76  -2.331 -14.072  -6.906
  575   2HD2  LEU  76          2HD2      LEU  76  -1.906 -12.679  -7.898
  576   3HD2  LEU  76          3HD2      LEU  76  -3.581 -13.215  -7.801
  577    H    LYS  77           H        LYS  77   1.205 -12.974  -5.271
  578    HA   LYS  77           HA       LYS  77   1.121 -15.146  -7.097
  579   1HB   LYS  77          2HB       LYS  77   2.775 -13.144  -6.753
  580   2HB   LYS  77          1HB       LYS  77   3.603 -14.236  -5.651
  581   1HG   LYS  77          2HG       LYS  77   3.754 -15.903  -7.500
  582   2HG   LYS  77          1HG       LYS  77   3.021 -14.713  -8.573
  583   1HD   LYS  77          2HD       LYS  77   5.240 -14.169  -8.986
  584   2HD   LYS  77          1HD       LYS  77   5.014 -13.159  -7.547
  585   1HE   LYS  77          2HE       LYS  77   7.017 -14.404  -7.165
  586   2HE   LYS  77          1HE       LYS  77   5.779 -15.196  -6.190
  587   1HZ   LYS  77          1HZ       LYS  77   5.918 -17.045  -7.399
  588   2HZ   LYS  77          2HZ       LYS  77   7.378 -16.418  -8.004
  589   3HZ   LYS  77          3HZ       LYS  77   5.933 -16.205  -8.874
  590    H    LEU  78           H        LEU  78   2.302 -14.860  -3.806
  591    HA   LEU  78           HA       LEU  78   3.213 -17.521  -3.464
  592   1HB   LEU  78          2HB       LEU  78   2.611 -15.110  -1.899
  593   2HB   LEU  78          1HB       LEU  78   2.512 -16.569  -0.979
  594    HG   LEU  78           HG       LEU  78   4.821 -17.178  -1.864
  595   1HD1  LEU  78          1HD1      LEU  78   6.126 -15.492  -2.933
  596   2HD1  LEU  78          2HD1      LEU  78   4.934 -14.240  -2.581
  597   3HD1  LEU  78          3HD1      LEU  78   4.579 -15.485  -3.778
  598   1HD2  LEU  78          1HD2      LEU  78   5.953 -15.422  -0.389
  599   2HD2  LEU  78          2HD2      LEU  78   4.688 -16.383   0.373
  600   3HD2  LEU  78          3HD2      LEU  78   4.347 -14.735  -0.152
  601    H    ALA  79           H        ALA  79   0.176 -15.986  -2.315
  602    HA   ALA  79           HA       ALA  79  -1.091 -18.195  -1.220
  603   1HB   ALA  79          1HB       ALA  79  -1.965 -15.783  -1.467
  604   2HB   ALA  79          2HB       ALA  79  -3.156 -17.080  -1.566
  605   3HB   ALA  79          3HB       ALA  79  -2.582 -16.298  -3.038
  606    H    ASN  80           H        ASN  80  -0.758 -17.426  -4.686
  607    HA   ASN  80           HA       ASN  80  -2.475 -19.555  -5.597
  608   1HB   ASN  80          2HB       ASN  80  -0.054 -18.658  -7.164
  609   2HB   ASN  80          1HB       ASN  80  -1.650 -19.121  -7.755
  610   1HD2  ASN  80          1HD2      ASN  80  -3.221 -17.445  -5.929
  611   2HD2  ASN  80          2HD2      ASN  80  -2.917 -15.834  -6.354
  612    H    GLU  81           H        GLU  81   0.807 -19.386  -4.445
  613    HA   GLU  81           HA       GLU  81   1.441 -22.144  -5.294
  614   1HB   GLU  81          2HB       GLU  81   3.179 -20.323  -5.190
  615   2HB   GLU  81          1HB       GLU  81   2.983 -20.299  -3.439
  616   1HG   GLU  81          2HG       GLU  81   3.862 -22.479  -3.187
  617   2HG   GLU  81          1HG       GLU  81   3.624 -22.869  -4.890
  618    H    GLY  82           H        GLY  82  -0.556 -20.939  -3.028
  619   1HA   GLY  82          2HA       GLY  82  -1.656 -22.202  -1.334
  620   2HA   GLY  82          1HA       GLY  82  -0.332 -23.359  -1.358
  621    H    LYS  83           H        LYS  83  -0.103 -19.817  -0.882
  622    HA   LYS  83           HA       LYS  83   1.246 -20.352   1.740
  623   1HB   LYS  83          2HB       LYS  83   1.100 -17.847   0.052
  624   2HB   LYS  83          1HB       LYS  83   2.062 -18.028   1.515
  625   1HG   LYS  83          2HG       LYS  83   2.478 -19.321  -1.172
  626   2HG   LYS  83          1HG       LYS  83   3.620 -18.370  -0.243
  627   1HD   LYS  83          2HD       LYS  83   3.532 -20.258   1.504
  628   2HD   LYS  83          1HD       LYS  83   2.755 -21.220   0.240
  629   1HE   LYS  83          2HE       LYS  83   5.125 -21.658   0.138
  630   2HE   LYS  83          1HE       LYS  83   4.706 -20.667  -1.259
  631   1HZ   LYS  83          1HZ       LYS  83   6.663 -20.103   0.510
  632   2HZ   LYS  83          2HZ       LYS  83   5.383 -19.147   1.089
  633   3HZ   LYS  83          3HZ       LYS  83   5.923 -18.970  -0.513
  634    H    VAL  84           H        VAL  84  -1.121 -20.811   2.365
  635    HA   VAL  84           HA       VAL  84  -2.997 -18.678   2.668
  636    HB   VAL  84           HB       VAL  84  -2.614 -21.203   4.300
  637   1HG1  VAL  84          1HG1      VAL  84  -5.085 -20.773   4.831
  638   2HG1  VAL  84          2HG1      VAL  84  -4.814 -19.129   4.252
  639   3HG1  VAL  84          3HG1      VAL  84  -3.920 -19.731   5.648
  640   1HG2  VAL  84          1HG2      VAL  84  -3.099 -21.507   1.872
  641   2HG2  VAL  84          2HG2      VAL  84  -4.552 -20.525   2.069
  642   3HG2  VAL  84          3HG2      VAL  84  -4.416 -22.076   2.898
  643    H    LYS  85           H        LYS  85  -0.870 -20.112   5.184
  644    HA   LYS  85           HA       LYS  85  -1.411 -17.993   7.062
  645   1HB   LYS  85          2HB       LYS  85   0.925 -19.165   7.966
  646   2HB   LYS  85          1HB       LYS  85  -0.690 -19.781   8.296
  647   1HG   LYS  85          2HG       LYS  85  -0.557 -21.424   6.624
  648   2HG   LYS  85          1HG       LYS  85   0.759 -20.611   5.789
  649   1HD   LYS  85          2HD       LYS  85   1.542 -22.614   7.028
  650   2HD   LYS  85          1HD       LYS  85   2.295 -21.132   7.615
  651   1HE   LYS  85          2HE       LYS  85  -0.238 -22.079   8.933
  652   2HE   LYS  85          1HE       LYS  85   1.282 -22.880   9.330
  653   1HZ   LYS  85          1HZ       LYS  85   0.344 -20.302  10.105
  654   2HZ   LYS  85          2HZ       LYS  85   1.879 -20.216   9.382
  655   3HZ   LYS  85          3HZ       LYS  85   1.627 -21.218  10.731
  656    H    GLU  86           H        GLU  86   1.358 -18.756   5.003
  657    HA   GLU  86           HA       GLU  86   3.024 -16.601   5.763
  658   1HB   GLU  86          2HB       GLU  86   2.814 -18.589   3.601
  659   2HB   GLU  86          1HB       GLU  86   3.605 -17.098   3.078
  660   1HG   GLU  86          2HG       GLU  86   4.394 -18.549   5.617
  661   2HG   GLU  86          1HG       GLU  86   5.119 -18.928   4.058
  662    H    ALA  87           H        ALA  87   0.623 -16.782   3.099
  663    HA   ALA  87           HA       ALA  87   1.068 -14.097   2.193
  664   1HB   ALA  87          1HB       ALA  87  -1.502 -15.709   2.068
  665   2HB   ALA  87          2HB       ALA  87  -0.201 -15.791   0.878
  666   3HB   ALA  87          3HB       ALA  87  -1.113 -14.296   1.089
  667    H    GLN  88           H        GLN  88  -1.064 -15.477   4.667
  668    HA   GLN  88           HA       GLN  88  -2.467 -13.036   5.264
  669   1HB   GLN  88          2HB       GLN  88  -2.031 -15.663   6.660
  670   2HB   GLN  88          1HB       GLN  88  -2.613 -14.312   7.632
  671   1HG   GLN  88          2HG       GLN  88  -4.496 -13.986   6.144
  672   2HG   GLN  88          1HG       GLN  88  -3.900 -15.225   5.047
  673   1HE2  GLN  88          1HE2      GLN  88  -5.227 -14.745   8.326
  674   2HE2  GLN  88          2HE2      GLN  88  -5.729 -16.353   8.526
  675    H    ALA  89           H        ALA  89   0.524 -14.494   6.523
  676    HA   ALA  89           HA       ALA  89   1.040 -12.559   8.562
  677   1HB   ALA  89          1HB       ALA  89   3.155 -13.916   6.866
  678   2HB   ALA  89          2HB       ALA  89   2.286 -14.758   8.151
  679   3HB   ALA  89          3HB       ALA  89   3.300 -13.368   8.536
  680    H    ALA  90           H        ALA  90   1.856 -12.686   5.111
  681    HA   ALA  90           HA       ALA  90   3.361 -10.257   5.013
  682   1HB   ALA  90          1HB       ALA  90   3.105 -12.000   3.154
  683   2HB   ALA  90          2HB       ALA  90   3.017 -10.316   2.639
  684   3HB   ALA  90          3HB       ALA  90   1.539 -11.264   2.811
  685    H    ALA  91           H        ALA  91   0.001 -10.928   5.395
  686    HA   ALA  91           HA       ALA  91  -1.068  -8.443   4.447
  687   1HB   ALA  91          1HB       ALA  91  -3.083  -9.221   5.274
  688   2HB   ALA  91          2HB       ALA  91  -2.368  -9.845   6.757
  689   3HB   ALA  91          3HB       ALA  91  -2.199 -10.735   5.248
  690    H    GLU  92           H        GLU  92  -0.147  -9.513   7.749
  691    HA   GLU  92           HA       GLU  92  -0.696  -7.000   8.995
  692   1HB   GLU  92          2HB       GLU  92   0.915  -9.426   9.698
  693   2HB   GLU  92          1HB       GLU  92   1.231  -7.957  10.622
  694   1HG   GLU  92          2HG       GLU  92  -0.932  -7.882  11.512
  695   2HG   GLU  92          1HG       GLU  92  -1.618  -8.849  10.208
  696    H    GLN  93           H        GLN  93   1.716  -7.870   6.766
  697    HA   GLN  93           HA       GLN  93   3.733  -5.963   7.677
  698   1HB   GLN  93          2HB       GLN  93   5.014  -7.004   6.080
  699   2HB   GLN  93          1HB       GLN  93   3.677  -8.119   5.906
  700   1HG   GLN  93          2HG       GLN  93   4.195  -7.407   3.704
  701   2HG   GLN  93          1HG       GLN  93   2.753  -6.500   4.125
  702   1HE2  GLN  93          1HE2      GLN  93   4.684  -4.893   6.033
  703   2HE2  GLN  93          2HE2      GLN  93   5.379  -3.759   4.968
  704    H    LEU  94           H        LEU  94   1.067  -6.009   5.358
  705    HA   LEU  94           HA       LEU  94   1.535  -3.359   4.336
  706   1HB   LEU  94          2HB       LEU  94   0.088  -5.039   3.204
  707   2HB   LEU  94          1HB       LEU  94  -1.068  -4.907   4.524
  708    HG   LEU  94           HG       LEU  94  -1.345  -2.485   4.009
  709   1HD1  LEU  94          1HD1      LEU  94   0.604  -1.738   2.958
  710   2HD1  LEU  94          2HD1      LEU  94  -0.473  -1.913   1.578
  711   3HD1  LEU  94          3HD1      LEU  94   0.722  -3.163   1.925
  712   1HD2  LEU  94          1HD2      LEU  94  -2.403  -2.924   1.662
  713   2HD2  LEU  94          2HD2      LEU  94  -3.005  -3.842   3.036
  714   3HD2  LEU  94          3HD2      LEU  94  -1.878  -4.589   1.911
  715    H    LYS  95           H        LYS  95  -0.445  -4.634   6.996
  716    HA   LYS  95           HA       LYS  95  -1.739  -2.220   7.746
  717   1HB   LYS  95          2HB       LYS  95  -0.785  -4.546   9.442
  718   2HB   LYS  95          1HB       LYS  95  -1.818  -3.255  10.053
  719   1HG   LYS  95          2HG       LYS  95  -3.624  -3.853   8.632
  720   2HG   LYS  95          1HG       LYS  95  -2.582  -4.813   7.589
  721   1HD   LYS  95          2HD       LYS  95  -3.068  -6.688   8.793
  722   2HD   LYS  95          1HD       LYS  95  -2.389  -5.958  10.239
  723   1HE   LYS  95          2HE       LYS  95  -4.686  -4.748  10.455
  724   2HE   LYS  95          1HE       LYS  95  -5.256  -5.955   9.302
  725   1HZ   LYS  95          1HZ       LYS  95  -5.628  -7.048  11.240
  726   2HZ   LYS  95          2HZ       LYS  95  -4.347  -6.291  12.060
  727   3HZ   LYS  95          3HZ       LYS  95  -4.032  -7.552  10.965
  728    H    THR  96           H        THR  96   1.141  -3.645   9.314
  729    HA   THR  96           HA       THR  96   1.808  -1.244  10.709
  730    HB   THR  96           HB       THR  96   3.888  -3.307  10.001
  731    HG1  THR  96           1HG      THR  96   1.787  -3.625  11.876
  732   1HG2  THR  96          1HG2      THR  96   3.174  -1.785  12.529
  733   2HG2  THR  96          2HG2      THR  96   4.523  -1.433  11.451
  734   3HG2  THR  96          3HG2      THR  96   4.505  -2.933  12.378
  735    H    THR  97           H        THR  97   2.541  -2.305   7.430
  736    HA   THR  97           HA       THR  97   4.860  -0.837   6.881
  737    HB   THR  97           HB       THR  97   2.417  -1.304   5.156
  738    HG1  THR  97           1HG      THR  97   4.016  -2.965   5.789
  739   1HG2  THR  97          1HG2      THR  97   3.254   0.659   4.168
  740   2HG2  THR  97          2HG2      THR  97   4.073  -0.621   3.274
  741   3HG2  THR  97          3HG2      THR  97   4.926   0.247   4.550
  742    H    ILE  98           H        ILE  98   1.514   0.342   6.492
  743    HA   ILE  98           HA       ILE  98   2.136   3.074   6.082
  744    HB   ILE  98           HB       ILE  98  -0.253   1.554   7.097
  745   1HG1  ILE  98          2HG1      ILE  98  -0.908   3.144   4.828
  746   2HG1  ILE  98          1HG1      ILE  98   0.700   2.515   4.493
  747   1HG2  ILE  98          1HG2      ILE  98  -1.501   3.814   6.808
  748   2HG2  ILE  98          2HG2      ILE  98   0.071   4.523   7.111
  749   3HG2  ILE  98          3HG2      ILE  98  -0.660   3.486   8.321
  750   1HD1  ILE  98          1HD1      ILE  98  -1.126   1.015   3.692
  751   2HD1  ILE  98          2HD1      ILE  98  -1.653   0.809   5.362
  752   3HD1  ILE  98          3HD1      ILE  98  -0.064   0.233   4.862
  753    H    ARG  99           H        ARG  99   1.128   1.523   9.176
  754    HA   ARG  99           HA       ARG  99   1.499   3.824  10.759
  755   1HB   ARG  99          2HB       ARG  99   0.564   1.355  11.197
  756   2HB   ARG  99          1HB       ARG  99   2.165   1.112  11.871
  757   1HG   ARG  99          2HG       ARG  99   0.599   3.544  12.739
  758   2HG   ARG  99          1HG       ARG  99   0.154   1.975  13.369
  759   1HD   ARG  99          2HD       ARG  99   1.719   2.930  14.920
  760   2HD   ARG  99          1HD       ARG  99   2.561   1.647  14.064
  761    HE   ARG  99           HE       ARG  99   3.825   3.307  12.853
  762   1HH1  ARG  99          1HH2      ARG  99   1.509   4.646  15.064
  763   2HH1  ARG  99          2HH2      ARG  99   2.259   6.204  15.089
  764   1HH2  ARG  99          1HH1      ARG  99   4.788   5.339  12.890
  765   2HH2  ARG  99          2HH1      ARG  99   4.103   6.597  13.864
  766    H    ALA 100           H        ALA 100   3.860   1.180  10.132
  767    HA   ALA 100           HA       ALA 100   5.973   2.285  11.701
  768   1HB   ALA 100          1HB       ALA 100   5.966   0.463   9.290
  769   2HB   ALA 100          2HB       ALA 100   6.252   0.040  10.977
  770   3HB   ALA 100          3HB       ALA 100   7.466   0.948  10.081
  771    H    TYR 101           H        TYR 101   4.972   2.865   8.405
  772    HA   TYR 101           HA       TYR 101   7.212   4.496   7.616
  773   1HB   TYR 101          2HB       TYR 101   4.437   3.956   6.590
  774   2HB   TYR 101          1HB       TYR 101   5.298   5.343   5.952
  775    HD1  TYR 101           1HD      TYR 101   6.953   2.212   7.015
  776    HD2  TYR 101           2HD      TYR 101   5.524   4.549   3.690
  777    HE1  TYR 101           1HE      TYR 101   8.185   0.740   5.449
  778    HE2  TYR 101           2HE      TYR 101   6.766   3.067   2.128
  779    HH   TYR 101           HH       TYR 101   9.028   0.675   3.267
  780    H    ASN 102           H        ASN 102   4.811   4.893   9.864
  781    HA   ASN 102           HA       ASN 102   4.423   6.781  11.286
  782   1HB   ASN 102          2HB       ASN 102   6.396   8.039  10.238
  783   2HB   ASN 102          1HB       ASN 102   5.276   8.580   8.988
  784   1HD2  ASN 102          1HD2      ASN 102   3.291   9.763   9.737
  785   2HD2  ASN 102          2HD2      ASN 102   3.408  10.717  11.141
  786    H    GLN 103           H        GLN 103   2.393   5.553  10.413
  787    HA   GLN 103           HA       GLN 103   0.341   5.561   9.344
  788   1HB   GLN 103          2HB       GLN 103   0.867   8.274  10.420
  789   2HB   GLN 103          1HB       GLN 103  -0.490   8.141   9.298
  790   1HG   GLN 103          2HG       GLN 103  -0.129   6.287  11.668
  791   2HG   GLN 103          1HG       GLN 103  -1.055   7.791  11.777
  792   1HE2  GLN 103          1HE2      GLN 103  -1.176   6.330   8.661
  793   2HE2  GLN 103          2HE2      GLN 103  -2.686   5.594   8.812
  794    H    LYS 104           H        LYS 104   2.171   5.197   7.654
  795    HA   LYS 104           HA       LYS 104   2.825   5.220   5.492
  796   1HB   LYS 104          2HB       LYS 104   0.590   4.964   4.920
  797   2HB   LYS 104          1HB       LYS 104   0.161   6.571   5.421
  798   1HG   LYS 104          2HG       LYS 104   0.231   6.150   2.918
  799   2HG   LYS 104          1HG       LYS 104   1.171   7.542   3.457
  800   1HD   LYS 104          2HD       LYS 104   3.234   6.375   3.198
  801   2HD   LYS 104          1HD       LYS 104   2.439   4.793   3.249
  802   1HE   LYS 104          2HE       LYS 104   1.353   5.325   1.064
  803   2HE   LYS 104          1HE       LYS 104   2.285   6.818   0.995
  804   1HZ   LYS 104          1HZ       LYS 104   3.209   4.035   0.808
  805   2HZ   LYS 104          2HZ       LYS 104   4.270   5.227   1.394
  806   3HZ   LYS 104          3HZ       LYS 104   3.609   5.365  -0.166
  807    H    TYR 105           H        TYR 105   1.525   8.486   5.047
  808    HA   TYR 105           HA       TYR 105   4.191   9.597   5.687
  809   1HB   TYR 105          2HB       TYR 105   2.975   9.834   2.939
  810   2HB   TYR 105          1HB       TYR 105   4.330  10.775   3.505
  811    HD1  TYR 105           1HD      TYR 105   5.979   8.628   4.955
  812    HD2  TYR 105           2HD      TYR 105   3.844   8.530   1.226
  813    HE1  TYR 105           1HE      TYR 105   7.483   6.868   4.142
  814    HE2  TYR 105           2HE      TYR 105   5.354   6.759   0.426
  815    HH   TYR 105           HH       TYR 105   6.842   5.067   1.290
  816    H    GLY 106           H        GLY 106   1.299   9.821   6.485
  817   1HA   GLY 106          2HA       GLY 106   0.592  12.585   5.852
  818   2HA   GLY 106          1HA       GLY 106  -0.263  11.537   6.973
  Start of MODEL    2
    1   1H    ALA   1          1HT       ALA   1 -19.752  10.255   2.728
    2   2H    ALA   1          2HT       ALA   1 -18.195  10.895   2.956
    3   3H    ALA   1          3HT       ALA   1 -18.661   9.476   3.765
    4    HA   ALA   1           HA       ALA   1 -17.518   8.493   2.102
    5   1HB   ALA   1          1HB       ALA   1 -19.845   7.773   1.816
    6   2HB   ALA   1          2HB       ALA   1 -19.045   7.895   0.248
    7   3HB   ALA   1          3HB       ALA   1 -20.158   9.159   0.771
    8    H    ASP   2           H        ASP   2 -15.834   9.944   1.570
    9    HA   ASP   2           HA       ASP   2 -16.015  11.065  -1.130
   10   1HB   ASP   2          2HB       ASP   2 -15.383  12.845   1.230
   11   2HB   ASP   2          1HB       ASP   2 -15.337  13.333  -0.465
   12    H    LEU   3           H        LEU   3 -14.404   9.452   1.103
   13    HA   LEU   3           HA       LEU   3 -11.953   9.212  -0.278
   14   1HB   LEU   3          2HB       LEU   3 -12.002  11.608   1.079
   15   2HB   LEU   3          1HB       LEU   3 -11.336  10.569   2.315
   16    HG   LEU   3           HG       LEU   3  -9.477  11.475   1.122
   17   1HD1  LEU   3          1HD1      LEU   3  -8.320   9.531   0.616
   18   2HD1  LEU   3          2HD1      LEU   3  -9.683   8.796  -0.223
   19   3HD1  LEU   3          3HD1      LEU   3  -9.671   8.875   1.539
   20   1HD2  LEU   3          1HD2      LEU   3 -11.019  11.945  -0.977
   21   2HD2  LEU   3          2HD2      LEU   3 -10.399  10.391  -1.532
   22   3HD2  LEU   3          3HD2      LEU   3  -9.288  11.709  -1.187
   23    H    GLU   4           H        GLU   4 -13.644   9.171   2.796
   24    HA   GLU   4           HA       GLU   4 -12.116   7.180   4.140
   25   1HB   GLU   4          2HB       GLU   4 -14.186   6.846   5.483
   26   2HB   GLU   4          1HB       GLU   4 -13.804   8.557   5.285
   27   1HG   GLU   4          2HG       GLU   4 -15.372   8.555   3.272
   28   2HG   GLU   4          1HG       GLU   4 -15.884   6.946   3.785
   29    H    ASP   5           H        ASP   5 -14.211   6.967   1.418
   30    HA   ASP   5           HA       ASP   5 -15.011   4.209   1.871
   31   1HB   ASP   5          2HB       ASP   5 -16.003   4.325  -0.326
   32   2HB   ASP   5          1HB       ASP   5 -16.291   5.876   0.454
   33    H    ASN   6           H        ASN   6 -12.564   5.744  -0.296
   34    HA   ASN   6           HA       ASN   6 -11.616   3.379  -1.500
   35   1HB   ASN   6          2HB       ASN   6 -10.316   5.056  -2.393
   36   2HB   ASN   6          1HB       ASN   6 -10.566   6.081  -0.987
   37   1HD2  ASN   6          1HD2      ASN   6  -9.257   4.996   1.060
   38   2HD2  ASN   6          2HD2      ASN   6  -7.639   4.652   0.703
   39    H    TRP   7           H        TRP   7 -11.017   4.773   1.651
   40    HA   TRP   7           HA       TRP   7  -9.100   2.930   2.627
   41   1HB   TRP   7          2HB       TRP   7 -11.045   4.875   3.756
   42   2HB   TRP   7          1HB       TRP   7 -10.537   3.618   4.871
   43    HD1  TRP   7           HD       TRP   7  -8.946   6.099   2.402
   44    HE1  TRP   7           1HE      TRP   7  -6.724   6.961   3.375
   45    HE3  TRP   7           3HE      TRP   7  -8.756   3.348   6.693
   46    HZ2  TRP   7           2HZ      TRP   7  -5.074   6.539   5.671
   47    HZ3  TRP   7           3HZ      TRP   7  -6.842   3.592   8.253
   48    HH2  TRP   7           HH       TRP   7  -5.003   5.180   7.746
   49    H    GLU   8           H        GLU   8 -12.637   2.810   2.454
   50    HA   GLU   8           HA       GLU   8 -13.044   0.484   4.044
   51   1HB   GLU   8          2HB       GLU   8 -14.836   2.040   3.192
   52   2HB   GLU   8          1HB       GLU   8 -14.645   1.283   1.617
   53   1HG   GLU   8          2HG       GLU   8 -15.215  -0.346   4.095
   54   2HG   GLU   8          1HG       GLU   8 -16.509   0.353   3.124
   55    H    THR   9           H        THR   9 -12.390   0.842   0.554
   56    HA   THR   9           HA       THR   9 -12.606  -1.892  -0.162
   57    HB   THR   9           HB       THR   9 -10.421  -0.111  -1.280
   58    HG1  THR   9           1HG      THR   9 -11.906   1.321  -1.606
   59   1HG2  THR   9          1HG2      THR   9 -12.418  -1.917  -2.672
   60   2HG2  THR   9          2HG2      THR   9 -10.853  -2.486  -2.089
   61   3HG2  THR   9          3HG2      THR   9 -10.930  -1.241  -3.335
   62    H    LEU  10           H        LEU  10  -9.781  -0.028   0.882
   63    HA   LEU  10           HA       LEU  10  -7.989  -2.238   1.090
   64   1HB   LEU  10          2HB       LEU  10  -8.096   0.600   1.999
   65   2HB   LEU  10          1HB       LEU  10  -6.968  -0.444   2.860
   66    HG   LEU  10           HG       LEU  10  -6.096  -1.123   0.537
   67   1HD1  LEU  10          1HD1      LEU  10  -8.093  -0.149  -0.663
   68   2HD1  LEU  10          2HD1      LEU  10  -6.535   0.380  -1.293
   69   3HD1  LEU  10          3HD1      LEU  10  -7.475   1.450  -0.255
   70   1HD2  LEU  10          1HD2      LEU  10  -4.650   0.851   0.422
   71   2HD2  LEU  10          2HD2      LEU  10  -4.911   0.392   2.104
   72   3HD2  LEU  10          3HD2      LEU  10  -5.789   1.758   1.418
   73    H    ASN  11           H        ASN  11 -10.414  -0.945   3.246
   74    HA   ASN  11           HA       ASN  11  -9.486  -2.036   5.680
   75   1HB   ASN  11          2HB       ASN  11 -11.482  -0.507   5.343
   76   2HB   ASN  11          1HB       ASN  11 -12.375  -1.945   4.822
   77   1HD2  ASN  11          1HD2      ASN  11  -9.892  -2.146   7.348
   78   2HD2  ASN  11          2HD2      ASN  11 -10.960  -2.450   8.621
   79    H    ASP  12           H        ASP  12 -12.067  -3.415   3.679
   80    HA   ASP  12           HA       ASP  12 -12.217  -5.913   4.934
   81   1HB   ASP  12          2HB       ASP  12 -12.611  -5.171   2.048
   82   2HB   ASP  12          1HB       ASP  12 -13.020  -6.763   2.693
   83    H    ASN  13           H        ASN  13  -9.760  -4.675   2.782
   84    HA   ASN  13           HA       ASN  13  -8.800  -7.242   1.937
   85   1HB   ASN  13          2HB       ASN  13  -7.216  -4.690   2.317
   86   2HB   ASN  13          1HB       ASN  13  -6.648  -6.119   1.481
   87   1HD2  ASN  13          1HD2      ASN  13  -9.611  -6.394   0.390
   88   2HD2  ASN  13          2HD2      ASN  13  -9.629  -5.303  -0.896
   89    H    LEU  14           H        LEU  14  -7.564  -5.114   4.544
   90    HA   LEU  14           HA       LEU  14  -5.783  -7.001   5.685
   91   1HB   LEU  14          2HB       LEU  14  -7.336  -4.683   6.830
   92   2HB   LEU  14          1HB       LEU  14  -6.281  -5.665   7.843
   93    HG   LEU  14           HG       LEU  14  -5.166  -3.616   6.953
   94   1HD1  LEU  14          1HD1      LEU  14  -4.036  -6.011   7.304
   95   2HD1  LEU  14          2HD1      LEU  14  -3.135  -4.644   6.661
   96   3HD1  LEU  14          3HD1      LEU  14  -3.770  -5.864   5.564
   97   1HD2  LEU  14          1HD2      LEU  14  -6.454  -3.728   4.766
   98   2HD2  LEU  14          2HD2      LEU  14  -5.300  -4.951   4.239
   99   3HD2  LEU  14          3HD2      LEU  14  -4.755  -3.320   4.634
  100    H    LYS  15           H        LYS  15  -9.211  -6.461   6.111
  101    HA   LYS  15           HA       LYS  15  -9.752  -7.992   8.394
  102   1HB   LYS  15          2HB       LYS  15 -11.312  -6.539   7.000
  103   2HB   LYS  15          1HB       LYS  15 -11.469  -7.905   5.901
  104   1HG   LYS  15          2HG       LYS  15 -12.229  -9.294   7.863
  105   2HG   LYS  15          1HG       LYS  15 -12.244  -7.817   8.827
  106   1HD   LYS  15          2HD       LYS  15 -14.454  -7.812   8.095
  107   2HD   LYS  15          1HD       LYS  15 -13.712  -6.899   6.778
  108   1HE   LYS  15          2HE       LYS  15 -14.908  -8.489   5.571
  109   2HE   LYS  15          1HE       LYS  15 -13.367  -9.331   5.740
  110   1HZ   LYS  15          1HZ       LYS  15 -15.923 -10.001   6.807
  111   2HZ   LYS  15          2HZ       LYS  15 -14.749  -9.914   8.031
  112   3HZ   LYS  15          3HZ       LYS  15 -14.519 -10.947   6.702
  113    H    VAL  16           H        VAL  16  -9.766  -9.161   4.992
  114    HA   VAL  16           HA       VAL  16 -10.279 -11.848   5.784
  115    HB   VAL  16           HB       VAL  16  -9.416 -10.485   3.240
  116   1HG1  VAL  16          1HG1      VAL  16  -8.273 -12.640   3.174
  117   2HG1  VAL  16          2HG1      VAL  16  -9.675 -12.704   2.114
  118   3HG1  VAL  16          3HG1      VAL  16  -9.734 -13.464   3.701
  119   1HG2  VAL  16          1HG2      VAL  16 -11.763 -10.371   4.017
  120   2HG2  VAL  16          2HG2      VAL  16 -11.833 -12.132   4.024
  121   3HG2  VAL  16          3HG2      VAL  16 -11.619 -11.263   2.503
  122    H    ILE  17           H        ILE  17  -7.137 -10.444   4.570
  123    HA   ILE  17           HA       ILE  17  -5.660 -12.814   4.957
  124    HB   ILE  17           HB       ILE  17  -3.997 -10.612   5.907
  125   1HG1  ILE  17          2HG1      ILE  17  -5.663 -10.025   3.440
  126   2HG1  ILE  17          1HG1      ILE  17  -5.746  -9.160   4.966
  127   1HG2  ILE  17          1HG2      ILE  17  -4.096 -11.874   3.152
  128   2HG2  ILE  17          2HG2      ILE  17  -3.319 -12.624   4.546
  129   3HG2  ILE  17          3HG2      ILE  17  -2.717 -11.088   3.925
  130   1HD1  ILE  17          1HD1      ILE  17  -3.692  -9.027   2.824
  131   2HD1  ILE  17          2HD1      ILE  17  -3.084  -8.942   4.476
  132   3HD1  ILE  17          3HD1      ILE  17  -4.264  -7.762   3.909
  133    H    GLU  18           H        GLU  18  -6.540 -10.352   7.330
  134    HA   GLU  18           HA       GLU  18  -5.208 -11.529   9.573
  135   1HB   GLU  18          2HB       GLU  18  -7.760  -9.885   9.439
  136   2HB   GLU  18          1HB       GLU  18  -6.881 -10.245  10.922
  137   1HG   GLU  18          2HG       GLU  18  -5.355  -8.984   8.653
  138   2HG   GLU  18          1HG       GLU  18  -6.457  -7.966   9.577
  139    H    LYS  19           H        LYS  19  -8.163 -12.289   7.854
  140    HA   LYS  19           HA       LYS  19  -8.719 -14.519   9.791
  141   1HB   LYS  19          2HB       LYS  19 -10.699 -12.781   8.289
  142   2HB   LYS  19          1HB       LYS  19 -11.127 -14.145   9.323
  143   1HG   LYS  19          2HG       LYS  19 -10.584 -13.008  11.288
  144   2HG   LYS  19          1HG       LYS  19  -9.416 -11.963  10.492
  145   1HD   LYS  19          2HD       LYS  19 -11.482 -10.755  11.198
  146   2HD   LYS  19          1HD       LYS  19 -11.192 -10.654   9.460
  147   1HE   LYS  19          2HE       LYS  19 -13.585 -11.182  10.098
  148   2HE   LYS  19          1HE       LYS  19 -12.851 -12.374   9.029
  149   1HZ   LYS  19          1HZ       LYS  19 -12.331 -13.724  10.983
  150   2HZ   LYS  19          2HZ       LYS  19 -14.003 -13.455  10.834
  151   3HZ   LYS  19          3HZ       LYS  19 -13.098 -12.586  11.981
  152    H    ALA  20           H        ALA  20  -7.180 -14.555   7.233
  153    HA   ALA  20           HA       ALA  20  -8.783 -15.586   5.102
  154   1HB   ALA  20          1HB       ALA  20  -6.510 -16.650   4.408
  155   2HB   ALA  20          2HB       ALA  20  -5.862 -15.777   5.798
  156   3HB   ALA  20          3HB       ALA  20  -6.628 -14.891   4.481
  157    H    ASP  21           H        ASP  21  -7.932 -17.007   8.072
  158    HA   ASP  21           HA       ASP  21  -8.375 -19.127   8.956
  159   1HB   ASP  21          2HB       ASP  21  -9.678 -19.919   6.352
  160   2HB   ASP  21          1HB       ASP  21 -10.092 -20.407   7.996
  161    H    ASN  22           H        ASN  22  -7.181 -18.980   5.639
  162    HA   ASN  22           HA       ASN  22  -5.077 -20.926   6.338
  163   1HB   ASN  22          2HB       ASN  22  -6.712 -21.487   3.864
  164   2HB   ASN  22          1HB       ASN  22  -5.593 -22.554   4.715
  165   1HD2  ASN  22          1HD2      ASN  22  -8.868 -21.249   4.730
  166   2HD2  ASN  22          2HD2      ASN  22  -9.464 -22.263   5.956
  167    H    ALA  23           H        ALA  23  -3.280 -20.827   4.866
  168    HA   ALA  23           HA       ALA  23  -2.696 -18.304   3.761
  169   1HB   ALA  23          1HB       ALA  23  -0.805 -19.656   4.034
  170   2HB   ALA  23          2HB       ALA  23  -1.034 -19.748   2.289
  171   3HB   ALA  23          3HB       ALA  23  -1.589 -21.065   3.324
  172    H    ALA  24           H        ALA  24  -4.795 -20.726   2.560
  173    HA   ALA  24           HA       ALA  24  -4.524 -20.207  -0.256
  174   1HB   ALA  24          1HB       ALA  24  -7.001 -21.124   1.241
  175   2HB   ALA  24          2HB       ALA  24  -5.703 -22.194   0.712
  176   3HB   ALA  24          3HB       ALA  24  -6.676 -21.332  -0.479
  177    H    GLN  25           H        GLN  25  -7.085 -19.066   2.024
  178    HA   GLN  25           HA       GLN  25  -8.136 -17.180   0.130
  179   1HB   GLN  25          2HB       GLN  25  -8.345 -17.362   3.141
  180   2HB   GLN  25          1HB       GLN  25  -9.160 -16.110   2.210
  181   1HG   GLN  25          2HG       GLN  25 -10.867 -17.553   1.756
  182   2HG   GLN  25          1HG       GLN  25  -9.747 -18.627   0.927
  183   1HE2  GLN  25          1HE2      GLN  25  -9.099 -20.556   2.013
  184   2HE2  GLN  25          2HE2      GLN  25  -9.685 -20.998   3.544
  185    H    VAL  26           H        VAL  26  -5.252 -17.112   1.966
  186    HA   VAL  26           HA       VAL  26  -5.082 -14.245   2.317
  187    HB   VAL  26           HB       VAL  26  -3.064 -16.499   2.295
  188   1HG1  VAL  26          1HG1      VAL  26  -1.447 -14.708   3.143
  189   2HG1  VAL  26          2HG1      VAL  26  -2.577 -13.533   2.471
  190   3HG1  VAL  26          3HG1      VAL  26  -1.795 -14.709   1.416
  191   1HG2  VAL  26          1HG2      VAL  26  -2.766 -15.561   4.700
  192   2HG2  VAL  26          2HG2      VAL  26  -4.207 -16.502   4.342
  193   3HG2  VAL  26          3HG2      VAL  26  -4.300 -14.743   4.409
  194    H    LYS  27           H        LYS  27  -3.852 -16.557  -0.102
  195    HA   LYS  27           HA       LYS  27  -2.552 -14.731  -1.812
  196   1HB   LYS  27          2HB       LYS  27  -4.187 -17.122  -2.704
  197   2HB   LYS  27          1HB       LYS  27  -2.852 -16.367  -3.573
  198   1HG   LYS  27          2HG       LYS  27  -1.275 -17.055  -1.890
  199   2HG   LYS  27          1HG       LYS  27  -2.558 -17.593  -0.829
  200   1HD   LYS  27          2HD       LYS  27  -1.381 -19.453  -2.086
  201   2HD   LYS  27          1HD       LYS  27  -3.132 -19.417  -2.273
  202   1HE   LYS  27          2HE       LYS  27  -3.001 -18.548  -4.464
  203   2HE   LYS  27          1HE       LYS  27  -1.338 -18.009  -4.248
  204   1HZ   LYS  27          1HZ       LYS  27  -1.337 -19.977  -5.568
  205   2HZ   LYS  27          2HZ       LYS  27  -2.292 -20.812  -4.437
  206   3HZ   LYS  27          3HZ       LYS  27  -0.699 -20.370  -4.047
  207    H    ASP  28           H        ASP  28  -5.924 -15.733  -1.681
  208    HA   ASP  28           HA       ASP  28  -6.875 -14.240  -3.918
  209   1HB   ASP  28          2HB       ASP  28  -7.961 -16.019  -2.120
  210   2HB   ASP  28          1HB       ASP  28  -8.725 -14.532  -1.606
  211    H    ALA  29           H        ALA  29  -7.204 -13.463  -0.461
  212    HA   ALA  29           HA       ALA  29  -8.231 -10.909  -0.621
  213   1HB   ALA  29          1HB       ALA  29  -6.905 -12.458   1.339
  214   2HB   ALA  29          2HB       ALA  29  -7.821 -10.977   1.611
  215   3HB   ALA  29          3HB       ALA  29  -6.082 -10.902   1.343
  216    H    LEU  30           H        LEU  30  -4.727 -11.647  -0.718
  217    HA   LEU  30           HA       LEU  30  -3.905  -8.973  -1.112
  218   1HB   LEU  30          2HB       LEU  30  -2.674 -11.641  -1.747
  219   2HB   LEU  30          1HB       LEU  30  -1.834 -10.143  -2.194
  220    HG   LEU  30           HG       LEU  30  -2.898 -10.431   0.622
  221   1HD1  LEU  30          1HD1      LEU  30  -0.935 -11.549   1.390
  222   2HD1  LEU  30          2HD1      LEU  30  -0.173 -11.439  -0.190
  223   3HD1  LEU  30          3HD1      LEU  30  -1.548 -12.515   0.048
  224   1HD2  LEU  30          1HD2      LEU  30  -0.452  -9.084  -0.576
  225   2HD2  LEU  30          2HD2      LEU  30  -0.947  -8.993   1.112
  226   3HD2  LEU  30          3HD2      LEU  30  -1.953  -8.269  -0.139
  227    H    THR  31           H        THR  31  -5.056 -11.342  -3.477
  228    HA   THR  31           HA       THR  31  -4.226  -9.828  -5.773
  229    HB   THR  31           HB       THR  31  -6.290 -11.972  -5.283
  230    HG1  THR  31           1HG      THR  31  -3.738 -11.745  -6.230
  231   1HG2  THR  31          1HG2      THR  31  -7.389 -10.714  -6.951
  232   2HG2  THR  31          2HG2      THR  31  -6.520 -11.965  -7.838
  233   3HG2  THR  31          3HG2      THR  31  -5.877 -10.324  -7.769
  234    H    LYS  32           H        LYS  32  -6.944  -9.653  -3.559
  235    HA   LYS  32           HA       LYS  32  -8.527  -7.844  -5.190
  236   1HB   LYS  32          2HB       LYS  32  -8.733  -7.786  -2.182
  237   2HB   LYS  32          1HB       LYS  32 -10.013  -7.686  -3.386
  238   1HG   LYS  32          2HG       LYS  32  -8.431 -10.196  -2.814
  239   2HG   LYS  32          1HG       LYS  32  -9.970  -9.839  -2.072
  240   1HD   LYS  32          2HD       LYS  32 -11.167 -10.306  -3.981
  241   2HD   LYS  32          1HD       LYS  32  -9.941  -9.643  -5.048
  242   1HE   LYS  32          2HE       LYS  32  -8.851 -11.668  -5.274
  243   2HE   LYS  32          1HE       LYS  32  -9.215 -12.185  -3.627
  244   1HZ   LYS  32          1HZ       LYS  32 -11.130 -13.119  -4.258
  245   2HZ   LYS  32          2HZ       LYS  32 -10.450 -13.109  -5.813
  246   3HZ   LYS  32          3HZ       LYS  32 -11.522 -11.878  -5.345
  247    H    MET  33           H        MET  33  -6.099  -7.518  -2.626
  248    HA   MET  33           HA       MET  33  -6.149  -4.706  -2.339
  249   1HB   MET  33          2HB       MET  33  -4.105  -6.862  -2.029
  250   2HB   MET  33          1HB       MET  33  -3.495  -5.225  -2.103
  251   1HG   MET  33          2HG       MET  33  -5.603  -5.039  -0.263
  252   2HG   MET  33          1HG       MET  33  -4.865  -6.587   0.106
  253   1HE   MET  33          1HE       MET  33  -4.188  -3.219  -1.173
  254   2HE   MET  33          2HE       MET  33  -2.720  -2.621  -0.410
  255   3HE   MET  33          3HE       MET  33  -4.251  -2.539   0.455
  256    H    ARG  34           H        ARG  34  -4.216  -6.699  -4.623
  257    HA   ARG  34           HA       ARG  34  -2.837  -4.835  -6.084
  258   1HB   ARG  34          2HB       ARG  34  -4.089  -7.391  -6.615
  259   2HB   ARG  34          1HB       ARG  34  -4.206  -6.401  -8.056
  260   1HG   ARG  34          2HG       ARG  34  -2.143  -7.624  -8.196
  261   2HG   ARG  34          1HG       ARG  34  -1.745  -5.947  -7.845
  262   1HD   ARG  34          2HD       ARG  34  -2.117  -7.675  -5.448
  263   2HD   ARG  34          1HD       ARG  34  -0.716  -8.052  -6.446
  264    HE   ARG  34           HE       ARG  34  -0.953  -5.773  -4.721
  265   1HH1  ARG  34          1HH2      ARG  34   0.132  -6.781  -7.840
  266   2HH1  ARG  34          2HH2      ARG  34   1.357  -5.563  -7.952
  267   1HH2  ARG  34          1HH1      ARG  34   0.659  -4.202  -4.844
  268   2HH2  ARG  34          2HH1      ARG  34   1.662  -4.113  -6.251
  269    H    ALA  35           H        ALA  35  -6.284  -5.572  -6.546
  270    HA   ALA  35           HA       ALA  35  -6.732  -3.478  -8.478
  271   1HB   ALA  35          1HB       ALA  35  -8.833  -4.595  -6.616
  272   2HB   ALA  35          2HB       ALA  35  -8.199  -5.531  -7.971
  273   3HB   ALA  35          3HB       ALA  35  -9.037  -4.007  -8.268
  274    H    ALA  36           H        ALA  36  -7.609  -3.677  -5.011
  275    HA   ALA  36           HA       ALA  36  -8.411  -0.929  -4.802
  276   1HB   ALA  36          1HB       ALA  36  -8.816  -2.997  -3.212
  277   2HB   ALA  36          2HB       ALA  36  -8.726  -1.373  -2.535
  278   3HB   ALA  36          3HB       ALA  36  -7.330  -2.445  -2.438
  279    H    ALA  37           H        ALA  37  -5.293  -2.463  -4.799
  280    HA   ALA  37           HA       ALA  37  -3.806  -0.555  -3.272
  281   1HB   ALA  37          1HB       ALA  37  -1.916  -1.428  -4.907
  282   2HB   ALA  37          2HB       ALA  37  -3.163  -2.566  -5.408
  283   3HB   ALA  37          3HB       ALA  37  -2.637  -2.523  -3.728
  284    H    LEU  38           H        LEU  38  -3.689  -0.869  -6.826
  285    HA   LEU  38           HA       LEU  38  -2.682   1.790  -7.153
  286   1HB   LEU  38          2HB       LEU  38  -4.177   0.190  -9.235
  287   2HB   LEU  38          1HB       LEU  38  -3.035   1.509  -9.502
  288    HG   LEU  38           HG       LEU  38  -2.155  -0.958  -7.991
  289   1HD1  LEU  38          1HD1      LEU  38  -2.367  -0.636 -10.990
  290   2HD1  LEU  38          2HD1      LEU  38  -3.050  -1.919  -9.990
  291   3HD1  LEU  38          3HD1      LEU  38  -1.304  -1.815 -10.218
  292   1HD2  LEU  38          1HD2      LEU  38  -0.656   0.975  -7.998
  293   2HD2  LEU  38          2HD2      LEU  38  -0.754   1.078  -9.756
  294   3HD2  LEU  38          3HD2      LEU  38   0.035  -0.304  -8.997
  295    H    ASP  39           H        ASP  39  -5.871   0.571  -6.660
  296    HA   ASP  39           HA       ASP  39  -7.361   2.667  -7.932
  297   1HB   ASP  39          2HB       ASP  39  -8.333   0.535  -6.900
  298   2HB   ASP  39          1HB       ASP  39  -8.110   1.303  -5.328
  299    H    ALA  40           H        ALA  40  -5.853   2.290  -4.755
  300    HA   ALA  40           HA       ALA  40  -6.686   4.779  -3.653
  301   1HB   ALA  40          1HB       ALA  40  -5.451   2.864  -2.467
  302   2HB   ALA  40          2HB       ALA  40  -4.934   4.501  -2.063
  303   3HB   ALA  40          3HB       ALA  40  -3.975   3.523  -3.177
  304    H    GLN  41           H        GLN  41  -4.085   3.868  -5.890
  305    HA   GLN  41           HA       GLN  41  -2.542   6.208  -5.988
  306   1HB   GLN  41          2HB       GLN  41  -2.487   4.038  -7.546
  307   2HB   GLN  41          1HB       GLN  41  -3.500   5.014  -8.597
  308   1HG   GLN  41          2HG       GLN  41  -0.654   5.567  -7.724
  309   2HG   GLN  41          1HG       GLN  41  -1.306   5.445  -9.355
  310   1HE2  GLN  41          1HE2      GLN  41  -2.947   7.227  -9.959
  311   2HE2  GLN  41          2HE2      GLN  41  -2.688   8.776  -9.315
  312    H    LYS  42           H        LYS  42  -5.712   5.578  -7.425
  313    HA   LYS  42           HA       LYS  42  -5.921   8.327  -8.470
  314   1HB   LYS  42          2HB       LYS  42  -8.270   6.446  -8.374
  315   2HB   LYS  42          1HB       LYS  42  -7.798   7.595  -9.627
  316   1HG   LYS  42          2HG       LYS  42  -6.357   5.007  -9.012
  317   2HG   LYS  42          1HG       LYS  42  -7.442   5.298 -10.370
  318   1HD   LYS  42          2HD       LYS  42  -5.903   7.303 -10.936
  319   2HD   LYS  42          1HD       LYS  42  -4.750   6.557  -9.832
  320   1HE   LYS  42          2HE       LYS  42  -5.985   4.929 -12.048
  321   2HE   LYS  42          1HE       LYS  42  -4.626   5.995 -12.355
  322   1HZ   LYS  42          1HZ       LYS  42  -4.689   3.855 -10.305
  323   2HZ   LYS  42          2HZ       LYS  42  -3.372   4.876 -10.637
  324   3HZ   LYS  42          3HZ       LYS  42  -3.897   3.757 -11.802
  325    H    ALA  43           H        ALA  43  -6.404   6.953  -5.427
  326    HA   ALA  43           HA       ALA  43  -7.793   9.327  -4.483
  327   1HB   ALA  43          1HB       ALA  43  -9.638   7.813  -5.387
  328   2HB   ALA  43          2HB       ALA  43  -9.798   8.292  -3.697
  329   3HB   ALA  43          3HB       ALA  43  -9.208   6.681  -4.105
  330    H    THR  44           H        THR  44  -6.020   9.503  -3.113
  331    HA   THR  44           HA       THR  44  -5.917   7.536  -0.862
  332    HB   THR  44           HB       THR  44  -4.042   6.881  -2.102
  333    HG1  THR  44           1HG      THR  44  -2.245   7.813  -1.032
  334   1HG2  THR  44          1HG2      THR  44  -2.460   8.927  -2.908
  335   2HG2  THR  44          2HG2      THR  44  -4.030   9.716  -3.016
  336   3HG2  THR  44          3HG2      THR  44  -3.722   8.244  -3.928
  337    HA   PRO  45           HA       PRO  45  -6.262  10.790   2.070
  338   1HB   PRO  45          2HB       PRO  45  -3.364  10.162   2.699
  339   2HB   PRO  45          1HB       PRO  45  -4.687  10.591   3.807
  340   1HG   PRO  45          2HG       PRO  45  -4.037   8.054   3.420
  341   2HG   PRO  45          1HG       PRO  45  -5.737   8.541   3.562
  342   1HD   PRO  45          2HD       PRO  45  -4.259   7.632   1.156
  343   2HD   PRO  45          1HD       PRO  45  -6.003   7.598   1.469
  344    HA   PRO  46           HA       PRO  46  -3.259  13.964   0.326
  345   1HB   PRO  46          2HB       PRO  46  -1.083  13.014  -1.211
  346   2HB   PRO  46          1HB       PRO  46  -1.039  13.384   0.523
  347   1HG   PRO  46          2HG       PRO  46  -0.763  10.835  -0.631
  348   2HG   PRO  46          1HG       PRO  46  -1.049  11.186   1.091
  349   1HD   PRO  46          2HD       PRO  46  -3.025  10.444  -1.056
  350   2HD   PRO  46          1HD       PRO  46  -2.953   9.919   0.635
  351    H    LYS  47           H        LYS  47  -4.628  11.652  -1.621
  352    HA   LYS  47           HA       LYS  47  -5.191  11.516  -3.889
  353   1HB   LYS  47          2HB       LYS  47  -5.937  14.374  -4.051
  354   2HB   LYS  47          1HB       LYS  47  -6.932  12.943  -4.242
  355   1HG   LYS  47          2HG       LYS  47  -7.842  13.786  -2.297
  356   2HG   LYS  47          1HG       LYS  47  -6.620  12.725  -1.616
  357   1HD   LYS  47          2HD       LYS  47  -5.538  14.490  -0.634
  358   2HD   LYS  47          1HD       LYS  47  -5.476  15.393  -2.147
  359   1HE   LYS  47          2HE       LYS  47  -6.749  16.544  -0.326
  360   2HE   LYS  47          1HE       LYS  47  -7.714  16.249  -1.774
  361   1HZ   LYS  47          1HZ       LYS  47  -8.417  15.533   0.732
  362   2HZ   LYS  47          2HZ       LYS  47  -7.767  14.086   0.125
  363   3HZ   LYS  47          3HZ       LYS  47  -9.049  14.850  -0.686
  364    H    LEU  48           H        LEU  48  -2.372  12.376  -3.383
  365    HA   LEU  48           HA       LEU  48  -0.590  13.426  -4.487
  366   1HB   LEU  48          2HB       LEU  48  -1.196  11.386  -5.867
  367   2HB   LEU  48          1HB       LEU  48  -2.133  12.434  -6.911
  368    HG   LEU  48           HG       LEU  48   0.204  11.843  -7.725
  369   1HD1  LEU  48          1HD1      LEU  48  -1.169  13.925  -8.406
  370   2HD1  LEU  48          2HD1      LEU  48   0.548  13.904  -8.776
  371   3HD1  LEU  48          3HD1      LEU  48  -0.038  14.827  -7.398
  372   1HD2  LEU  48          1HD2      LEU  48   1.154  12.244  -5.321
  373   2HD2  LEU  48          2HD2      LEU  48   1.244  13.931  -5.825
  374   3HD2  LEU  48          3HD2      LEU  48   2.125  12.692  -6.719
  375    H    GLU  49           H        GLU  49  -2.785  14.072  -7.187
  376    HA   GLU  49           HA       GLU  49  -2.018  16.854  -7.146
  377   1HB   GLU  49          2HB       GLU  49  -4.172  16.989  -8.736
  378   2HB   GLU  49          1HB       GLU  49  -2.645  16.339  -9.309
  379   1HG   GLU  49          2HG       GLU  49  -4.401  14.826  -9.979
  380   2HG   GLU  49          1HG       GLU  49  -3.478  14.035  -8.714
  381    H    ASP  50           H        ASP  50  -2.537  17.813  -5.250
  382    HA   ASP  50           HA       ASP  50  -5.306  17.590  -4.178
  383   1HB   ASP  50          2HB       ASP  50  -3.842  19.369  -2.534
  384   2HB   ASP  50          1HB       ASP  50  -4.145  17.665  -2.209
  385    H    LYS  51           H        LYS  51  -3.947  19.226  -6.560
  386    HA   LYS  51           HA       LYS  51  -5.854  21.412  -6.450
  387   1HB   LYS  51          2HB       LYS  51  -4.052  23.194  -6.604
  388   2HB   LYS  51          1HB       LYS  51  -4.247  22.454  -5.018
  389   1HG   LYS  51          2HG       LYS  51  -2.331  20.855  -6.476
  390   2HG   LYS  51          1HG       LYS  51  -1.864  22.542  -6.664
  391   1HD   LYS  51          2HD       LYS  51  -2.049  22.801  -4.163
  392   2HD   LYS  51          1HD       LYS  51  -2.301  21.059  -4.058
  393   1HE   LYS  51          2HE       LYS  51  -0.134  20.632  -5.076
  394   2HE   LYS  51          1HE       LYS  51   0.108  22.354  -5.369
  395   1HZ   LYS  51          1HZ       LYS  51  -0.327  22.426  -2.781
  396   2HZ   LYS  51          2HZ       LYS  51   1.222  22.157  -3.424
  397   3HZ   LYS  51          3HZ       LYS  51   0.288  20.847  -2.875
  398    H    SER  52           H        SER  52  -2.673  21.586  -8.016
  399    HA   SER  52           HA       SER  52  -3.481  20.349 -10.476
  400   1HB   SER  52          2HB       SER  52  -3.701  23.343 -10.221
  401   2HB   SER  52          1HB       SER  52  -3.441  22.563 -11.779
  402    HG   SER  52           HG       SER  52  -5.715  22.976 -10.781
  403    HA   PRO  53           HA       PRO  53   1.055  21.320  -9.739
  404   1HB   PRO  53          2HB       PRO  53   1.944  18.711  -9.946
  405   2HB   PRO  53          1HB       PRO  53   1.451  19.456  -8.423
  406   1HG   PRO  53          2HG       PRO  53  -0.058  17.596 -10.187
  407   2HG   PRO  53          1HG       PRO  53  -0.025  17.692  -8.417
  408   1HD   PRO  53          2HD       PRO  53  -2.080  18.686  -9.941
  409   2HD   PRO  53          1HD       PRO  53  -1.659  19.343  -8.348
  410    H    ASP  54           H        ASP  54   0.594  18.396 -11.647
  411    HA   ASP  54           HA       ASP  54   1.221  19.884 -14.153
  412   1HB   ASP  54          2HB       ASP  54   2.579  17.374 -13.108
  413   2HB   ASP  54          1HB       ASP  54   2.764  17.993 -14.755
  414    H    SER  55           H        SER  55   0.409  16.669 -12.831
  415    HA   SER  55           HA       SER  55  -1.744  15.653 -13.163
  416   1HB   SER  55          2HB       SER  55  -3.056  15.861 -15.132
  417   2HB   SER  55          1HB       SER  55  -2.553  17.479 -14.668
  418    HG   SER  55           HG       SER  55  -2.346  16.853 -16.960
  419    HA   PRO  56           HA       PRO  56   0.277  12.590 -16.124
  420   1HB   PRO  56          2HB       PRO  56   2.892  13.525 -17.033
  421   2HB   PRO  56          1HB       PRO  56   1.471  13.135 -18.021
  422   1HG   PRO  56          2HG       PRO  56   2.468  15.661 -17.729
  423   2HG   PRO  56          1HG       PRO  56   0.765  15.312 -18.079
  424   1HD   PRO  56          2HD       PRO  56   2.046  15.946 -15.433
  425   2HD   PRO  56          1HD       PRO  56   0.541  16.560 -16.128
  426    H    GLU  57           H        GLU  57   2.540  14.601 -14.319
  427    HA   GLU  57           HA       GLU  57   4.380  12.625 -13.455
  428   1HB   GLU  57          2HB       GLU  57   4.456  15.199 -13.170
  429   2HB   GLU  57          1HB       GLU  57   3.484  14.935 -11.723
  430   1HG   GLU  57          2HG       GLU  57   5.781  14.968 -11.022
  431   2HG   GLU  57          1HG       GLU  57   5.261  13.285 -10.964
  432    H    MET  58           H        MET  58   1.084  12.833 -12.860
  433    HA   MET  58           HA       MET  58   0.956  11.987 -10.125
  434   1HB   MET  58          2HB       MET  58  -1.046  12.848 -11.079
  435   2HB   MET  58          1HB       MET  58  -0.956  11.756 -12.458
  436   1HG   MET  58          2HG       MET  58  -1.624   9.891 -11.172
  437   2HG   MET  58          1HG       MET  58  -1.203  10.675  -9.649
  438   1HE   MET  58          1HE       MET  58  -4.987  11.026 -12.145
  439   2HE   MET  58          2HE       MET  58  -4.069   9.571 -11.766
  440   3HE   MET  58          3HE       MET  58  -3.353  10.814 -12.789
  441    H    LYS  59           H        LYS  59   0.802  10.073 -13.179
  442    HA   LYS  59           HA       LYS  59   0.645   7.546 -11.930
  443   1HB   LYS  59          2HB       LYS  59   0.865   8.400 -14.549
  444   2HB   LYS  59          1HB       LYS  59   2.404   7.575 -14.316
  445   1HG   LYS  59          2HG       LYS  59   0.929   5.851 -15.024
  446   2HG   LYS  59          1HG       LYS  59   1.003   5.656 -13.266
  447   1HD   LYS  59          2HD       LYS  59  -1.299   5.618 -13.565
  448   2HD   LYS  59          1HD       LYS  59  -1.079   7.341 -13.329
  449   1HE   LYS  59          2HE       LYS  59  -2.502   6.919 -15.282
  450   2HE   LYS  59          1HE       LYS  59  -0.983   7.680 -15.751
  451   1HZ   LYS  59          1HZ       LYS  59  -2.026   5.295 -16.689
  452   2HZ   LYS  59          2HZ       LYS  59  -0.696   4.869 -15.722
  453   3HZ   LYS  59          3HZ       LYS  59  -0.495   5.945 -17.022
  454    H    ASP  60           H        ASP  60   3.440   9.658 -12.481
  455    HA   ASP  60           HA       ASP  60   5.499   7.832 -11.752
  456   1HB   ASP  60          2HB       ASP  60   5.202  10.729 -11.993
  457   2HB   ASP  60          1HB       ASP  60   6.154  10.354 -10.561
  458    H    PHE  61           H        PHE  61   3.166   9.686  -9.855
  459    HA   PHE  61           HA       PHE  61   4.171   9.080  -7.272
  460   1HB   PHE  61          2HB       PHE  61   2.105  10.547  -8.079
  461   2HB   PHE  61          1HB       PHE  61   1.205   9.063  -7.807
  462    HD1  PHE  61           1HD      PHE  61   0.110   9.033  -5.746
  463    HD2  PHE  61           2HD      PHE  61   3.987  10.901  -6.004
  464    HE1  PHE  61           1HE      PHE  61   0.031   9.573  -3.326
  465    HE2  PHE  61           2HE      PHE  61   3.901  11.403  -3.586
  466    HZ   PHE  61           HZ       PHE  61   1.924  10.744  -2.248
  467    H    ARG  62           H        ARG  62   2.346   7.203  -9.626
  468    HA   ARG  62           HA       ARG  62   1.685   4.935  -8.049
  469   1HB   ARG  62          2HB       ARG  62   1.261   5.425 -10.617
  470   2HB   ARG  62          1HB       ARG  62   2.803   4.597 -10.834
  471   1HG   ARG  62          2HG       ARG  62   1.788   2.728  -9.327
  472   2HG   ARG  62          1HG       ARG  62   0.244   3.530  -9.645
  473   1HD   ARG  62          2HD       ARG  62   0.089   2.452 -11.633
  474   2HD   ARG  62          1HD       ARG  62   1.591   3.193 -12.176
  475    HE   ARG  62           HE       ARG  62   2.374   1.096 -10.501
  476   1HH1  ARG  62          1HH2      ARG  62   0.475   1.568 -13.336
  477   2HH1  ARG  62          2HH2      ARG  62   0.814  -0.002 -13.986
  478   1HH2  ARG  62          1HH1      ARG  62   2.824  -0.959 -11.330
  479   2HH2  ARG  62          2HH1      ARG  62   2.137  -1.436 -12.847
  480    H    HIS  63           H        HIS  63   4.698   6.069  -9.453
  481    HA   HIS  63           HA       HIS  63   6.301   3.769  -9.043
  482   1HB   HIS  63          2HB       HIS  63   6.925   6.054 -10.130
  483   2HB   HIS  63          1HB       HIS  63   7.302   6.571  -8.486
  484    HD1  HIS  63           1HD      HIS  63   8.557   4.461 -11.275
  485    HD2  HIS  63           2HD      HIS  63   9.485   5.124  -7.268
  486    HE1  HIS  63           1HE      HIS  63  10.843   3.440 -10.892
  487    H    GLY  64           H        GLY  64   5.237   6.328  -6.844
  488   1HA   GLY  64          2HA       GLY  64   6.771   5.406  -4.562
  489   2HA   GLY  64          1HA       GLY  64   5.388   6.500  -4.494
  490    H    PHE  65           H        PHE  65   3.400   4.901  -5.630
  491    HA   PHE  65           HA       PHE  65   2.717   3.143  -3.407
  492   1HB   PHE  65          2HB       PHE  65   1.513   3.856  -6.071
  493   2HB   PHE  65          1HB       PHE  65   0.929   2.410  -5.278
  494    HD1  PHE  65           1HD      PHE  65   0.942   6.038  -5.308
  495    HD2  PHE  65           2HD      PHE  65  -0.126   2.572  -3.014
  496    HE1  PHE  65           1HE      PHE  65  -0.556   7.423  -3.912
  497    HE2  PHE  65           2HE      PHE  65  -1.619   3.964  -1.606
  498    HZ   PHE  65           HZ       PHE  65  -1.829   6.389  -2.064
  499    H    ASP  66           H        ASP  66   3.714   2.754  -6.762
  500    HA   ASP  66           HA       ASP  66   3.545   0.069  -7.212
  501   1HB   ASP  66          2HB       ASP  66   4.492   1.632  -8.848
  502   2HB   ASP  66          1HB       ASP  66   5.945   1.792  -7.857
  503    H    ILE  67           H        ILE  67   5.966   1.775  -5.271
  504    HA   ILE  67           HA       ILE  67   7.601  -0.496  -4.622
  505    HB   ILE  67           HB       ILE  67   7.129   2.083  -3.099
  506   1HG1  ILE  67          2HG1      ILE  67   8.062   1.966  -5.637
  507   2HG1  ILE  67          1HG1      ILE  67   8.687   3.114  -4.468
  508   1HG2  ILE  67          1HG2      ILE  67   9.234  -0.079  -2.880
  509   2HG2  ILE  67          2HG2      ILE  67   8.158   0.524  -1.620
  510   3HG2  ILE  67          3HG2      ILE  67   9.465   1.542  -2.224
  511   1HD1  ILE  67          1HD1      ILE  67   9.919   0.376  -4.823
  512   2HD1  ILE  67          2HD1      ILE  67  10.628   1.799  -4.059
  513   3HD1  ILE  67          3HD1      ILE  67  10.410   1.755  -5.808
  514    H    LEU  68           H        LEU  68   5.401   1.312  -2.419
  515    HA   LEU  68           HA       LEU  68   5.364  -0.704  -0.455
  516   1HB   LEU  68          2HB       LEU  68   3.610   0.472   0.615
  517   2HB   LEU  68          1HB       LEU  68   4.552   1.689  -0.235
  518    HG   LEU  68           HG       LEU  68   2.750   1.199  -2.154
  519   1HD1  LEU  68          1HD1      LEU  68   1.482  -0.495  -0.861
  520   2HD1  LEU  68          2HD1      LEU  68   0.495   0.930  -1.148
  521   3HD1  LEU  68          3HD1      LEU  68   1.241   0.678   0.429
  522   1HD2  LEU  68          1HD2      LEU  68   1.495   3.168  -1.300
  523   2HD2  LEU  68          2HD2      LEU  68   3.235   3.400  -1.139
  524   3HD2  LEU  68          3HD2      LEU  68   2.271   2.969   0.272
  525    H    VAL  69           H        VAL  69   2.986  -0.283  -3.133
  526    HA   VAL  69           HA       VAL  69   1.460  -2.601  -2.387
  527    HB   VAL  69           HB       VAL  69   0.435  -2.460  -4.543
  528   1HG1  VAL  69          1HG1      VAL  69  -0.070  -0.030  -4.721
  529   2HG1  VAL  69          2HG1      VAL  69   1.249   0.295  -3.608
  530   3HG1  VAL  69          3HG1      VAL  69  -0.150  -0.623  -3.062
  531   1HG2  VAL  69          1HG2      VAL  69   1.583  -0.694  -6.190
  532   2HG2  VAL  69          2HG2      VAL  69   2.072  -2.385  -6.184
  533   3HG2  VAL  69          3HG2      VAL  69   3.034  -1.196  -5.321
  534    H    GLY  70           H        GLY  70   4.510  -2.227  -3.962
  535   1HA   GLY  70          2HA       GLY  70   4.566  -4.714  -5.411
  536   2HA   GLY  70          1HA       GLY  70   5.977  -3.766  -4.957
  537    H    GLN  71           H        GLN  71   5.893  -3.862  -2.178
  538    HA   GLN  71           HA       GLN  71   6.784  -6.586  -1.740
  539   1HB   GLN  71          2HB       GLN  71   6.891  -5.774   0.704
  540   2HB   GLN  71          1HB       GLN  71   7.927  -4.952  -0.460
  541   1HG   GLN  71          2HG       GLN  71   6.432  -3.090  -0.623
  542   2HG   GLN  71          1HG       GLN  71   5.162  -3.951   0.250
  543   1HE2  GLN  71          1HE2      GLN  71   7.017  -5.069   2.285
  544   2HE2  GLN  71          2HE2      GLN  71   7.445  -3.770   3.289
  545    H    ILE  72           H        ILE  72   3.788  -4.871  -1.270
  546    HA   ILE  72           HA       ILE  72   2.572  -6.611   0.630
  547    HB   ILE  72           HB       ILE  72   1.450  -4.994  -1.671
  548   1HG1  ILE  72          2HG1      ILE  72   2.745  -3.980   0.405
  549   2HG1  ILE  72          1HG1      ILE  72   1.263  -3.235  -0.152
  550   1HG2  ILE  72          1HG2      ILE  72  -0.685  -5.164  -0.191
  551   2HG2  ILE  72          2HG2      ILE  72   0.089  -6.596   0.490
  552   3HG2  ILE  72          3HG2      ILE  72  -0.275  -6.523  -1.236
  553   1HD1  ILE  72          1HD1      ILE  72   0.023  -4.019   1.638
  554   2HD1  ILE  72          2HD1      ILE  72   1.598  -3.760   2.396
  555   3HD1  ILE  72          3HD1      ILE  72   1.101  -5.384   1.932
  556    H    ASP  73           H        ASP  73   2.274  -6.601  -2.953
  557    HA   ASP  73           HA       ASP  73   0.962  -9.130  -3.107
  558   1HB   ASP  73          2HB       ASP  73   1.770  -9.186  -5.457
  559   2HB   ASP  73          1HB       ASP  73   1.059  -7.638  -5.032
  560    H    ASP  74           H        ASP  74   4.387  -8.235  -2.785
  561    HA   ASP  74           HA       ASP  74   5.396 -10.817  -3.436
  562   1HB   ASP  74          2HB       ASP  74   6.833  -8.803  -3.123
  563   2HB   ASP  74          1HB       ASP  74   6.519  -8.879  -1.386
  564    H    ALA  75           H        ALA  75   3.539  -9.648  -0.799
  565    HA   ALA  75           HA       ALA  75   4.233 -11.783   1.050
  566   1HB   ALA  75          1HB       ALA  75   1.622 -10.263   0.985
  567   2HB   ALA  75          2HB       ALA  75   3.092  -9.580   1.682
  568   3HB   ALA  75          3HB       ALA  75   2.392 -11.047   2.365
  569    H    LEU  76           H        LEU  76   1.973 -11.125  -1.512
  570    HA   LEU  76           HA       LEU  76   0.247 -13.397  -1.372
  571   1HB   LEU  76          2HB       LEU  76   0.223 -11.260  -2.886
  572   2HB   LEU  76          1HB       LEU  76   1.276 -12.169  -3.956
  573    HG   LEU  76           HG       LEU  76  -1.425 -13.153  -3.008
  574   1HD1  LEU  76          1HD1      LEU  76  -1.623 -11.045  -4.327
  575   2HD1  LEU  76          2HD1      LEU  76  -2.309 -12.434  -5.169
  576   3HD1  LEU  76          3HD1      LEU  76  -0.725 -11.815  -5.633
  577   1HD2  LEU  76          1HD2      LEU  76  -1.118 -14.527  -5.190
  578   2HD2  LEU  76          2HD2      LEU  76  -0.186 -15.008  -3.780
  579   3HD2  LEU  76          3HD2      LEU  76   0.582 -14.080  -5.063
  580    H    LYS  77           H        LYS  77   3.393 -12.806  -2.776
  581    HA   LYS  77           HA       LYS  77   3.837 -15.304  -4.050
  582   1HB   LYS  77          2HB       LYS  77   5.052 -12.975  -4.109
  583   2HB   LYS  77          1HB       LYS  77   6.036 -13.661  -2.825
  584   1HG   LYS  77          2HG       LYS  77   6.628 -15.547  -4.299
  585   2HG   LYS  77          1HG       LYS  77   5.606 -14.868  -5.565
  586   1HD   LYS  77          2HD       LYS  77   7.611 -13.915  -6.242
  587   2HD   LYS  77          1HD       LYS  77   7.143 -12.673  -5.072
  588   1HE   LYS  77          2HE       LYS  77   9.346 -13.180  -4.443
  589   2HE   LYS  77          1HE       LYS  77   8.402 -14.190  -3.346
  590   1HZ   LYS  77          1HZ       LYS  77   8.960 -15.451  -5.867
  591   2HZ   LYS  77          2HZ       LYS  77   9.170 -16.042  -4.288
  592   3HZ   LYS  77          3HZ       LYS  77  10.365 -15.066  -4.998
  593    H    LEU  78           H        LEU  78   4.688 -14.098  -0.865
  594    HA   LEU  78           HA       LEU  78   6.080 -16.389   0.069
  595   1HB   LEU  78          2HB       LEU  78   4.976 -13.864   1.045
  596   2HB   LEU  78          1HB       LEU  78   4.968 -15.099   2.264
  597    HG   LEU  78           HG       LEU  78   7.415 -15.516   1.754
  598   1HD1  LEU  78          1HD1      LEU  78   7.181 -12.899   0.247
  599   2HD1  LEU  78          2HD1      LEU  78   7.256 -14.471  -0.547
  600   3HD1  LEU  78          3HD1      LEU  78   8.617 -13.906   0.421
  601   1HD2  LEU  78          1HD2      LEU  78   8.171 -13.692   3.088
  602   2HD2  LEU  78          2HD2      LEU  78   6.508 -13.982   3.594
  603   3HD2  LEU  78          3HD2      LEU  78   6.879 -12.641   2.512
  604    H    ALA  79           H        ALA  79   2.707 -15.327   0.721
  605    HA   ALA  79           HA       ALA  79   1.840 -17.472   2.258
  606   1HB   ALA  79          1HB       ALA  79  -0.390 -16.968   1.557
  607   2HB   ALA  79          2HB       ALA  79   0.166 -16.333   0.008
  608   3HB   ALA  79          3HB       ALA  79   0.487 -15.439   1.495
  609    H    ASN  80           H        ASN  80   2.427 -17.406  -1.233
  610    HA   ASN  80           HA       ASN  80   1.223 -19.972  -1.803
  611   1HB   ASN  80          2HB       ASN  80   3.626 -18.882  -3.284
  612   2HB   ASN  80          1HB       ASN  80   2.286 -19.838  -3.916
  613   1HD2  ASN  80          1HD2      ASN  80   0.281 -18.081  -2.398
  614   2HD2  ASN  80          2HD2      ASN  80   0.211 -16.658  -3.301
  615    H    GLU  81           H        GLU  81   4.304 -18.920  -0.516
  616    HA   GLU  81           HA       GLU  81   5.449 -21.641  -0.664
  617   1HB   GLU  81          2HB       GLU  81   6.857 -19.572  -0.921
  618   2HB   GLU  81          1HB       GLU  81   6.518 -19.183   0.765
  619   1HG   GLU  81          2HG       GLU  81   7.735 -21.025   1.574
  620   2HG   GLU  81          1HG       GLU  81   7.654 -21.882   0.036
  621    H    GLY  82           H        GLY  82   3.073 -20.415   1.137
  622   1HA   GLY  82          2HA       GLY  82   2.070 -21.457   3.025
  623   2HA   GLY  82          1HA       GLY  82   3.585 -22.290   3.348
  624    H    LYS  83           H        LYS  83   2.998 -18.763   3.009
  625    HA   LYS  83           HA       LYS  83   4.219 -18.410   5.717
  626   1HB   LYS  83          2HB       LYS  83   3.690 -16.460   3.469
  627   2HB   LYS  83          1HB       LYS  83   4.434 -16.033   4.999
  628   1HG   LYS  83          2HG       LYS  83   5.563 -17.642   2.736
  629   2HG   LYS  83          1HG       LYS  83   6.308 -16.320   3.622
  630   1HD   LYS  83          2HD       LYS  83   6.425 -17.884   5.629
  631   2HD   LYS  83          1HD       LYS  83   5.987 -19.190   4.519
  632   1HE   LYS  83          2HE       LYS  83   8.402 -19.103   4.695
  633   2HE   LYS  83          1HE       LYS  83   7.940 -18.539   3.089
  634   1HZ   LYS  83          1HZ       LYS  83   9.622 -17.175   4.443
  635   2HZ   LYS  83          2HZ       LYS  83   8.267 -16.629   5.310
  636   3HZ   LYS  83          3HZ       LYS  83   8.377 -16.353   3.637
  637    H    VAL  84           H        VAL  84   2.083 -19.227   6.483
  638    HA   VAL  84           HA       VAL  84  -0.294 -17.644   6.260
  639    HB   VAL  84           HB       VAL  84   0.556 -19.372   8.605
  640   1HG1  VAL  84          1HG1      VAL  84  -1.910 -19.616   8.891
  641   2HG1  VAL  84          2HG1      VAL  84  -2.150 -18.456   7.584
  642   3HG1  VAL  84          3HG1      VAL  84  -1.371 -17.948   9.082
  643   1HG2  VAL  84          1HG2      VAL  84   0.593 -20.449   6.253
  644   2HG2  VAL  84          2HG2      VAL  84  -1.156 -20.232   6.264
  645   3HG2  VAL  84          3HG2      VAL  84  -0.386 -21.244   7.485
  646    H    LYS  85           H        LYS  85   2.167 -17.756   8.868
  647    HA   LYS  85           HA       LYS  85   1.012 -15.498  10.262
  648   1HB   LYS  85          2HB       LYS  85   3.577 -15.762  11.278
  649   2HB   LYS  85          1HB       LYS  85   2.179 -16.678  11.831
  650   1HG   LYS  85          2HG       LYS  85   2.737 -18.569  10.538
  651   2HG   LYS  85          1HG       LYS  85   3.849 -17.662   9.521
  652   1HD   LYS  85          2HD       LYS  85   5.021 -19.100  11.192
  653   2HD   LYS  85          1HD       LYS  85   5.401 -17.387  11.377
  654   1HE   LYS  85          2HE       LYS  85   4.032 -17.167  13.286
  655   2HE   LYS  85          1HE       LYS  85   3.150 -18.654  12.939
  656   1HZ   LYS  85          1HZ       LYS  85   4.879 -18.768  14.751
  657   2HZ   LYS  85          2HZ       LYS  85   6.050 -18.634  13.528
  658   3HZ   LYS  85          3HZ       LYS  85   4.983 -19.956  13.545
  659    H    GLU  86           H        GLU  86   3.995 -15.914   8.362
  660    HA   GLU  86           HA       GLU  86   4.932 -13.272   8.537
  661   1HB   GLU  86          2HB       GLU  86   5.452 -15.681   6.994
  662   2HB   GLU  86          1HB       GLU  86   5.590 -14.271   5.937
  663   1HG   GLU  86          2HG       GLU  86   7.091 -13.271   7.794
  664   2HG   GLU  86          1HG       GLU  86   7.151 -14.909   8.442
  665    H    ALA  87           H        ALA  87   2.665 -14.699   6.172
  666    HA   ALA  87           HA       ALA  87   2.415 -12.346   4.566
  667   1HB   ALA  87          1HB       ALA  87   0.355 -13.352   3.717
  668   2HB   ALA  87          2HB       ALA  87   0.327 -14.487   5.067
  669   3HB   ALA  87          3HB       ALA  87   1.607 -14.585   3.857
  670    H    GLN  88           H        GLN  88   0.441 -13.497   7.331
  671    HA   GLN  88           HA       GLN  88  -1.346 -11.251   7.294
  672   1HB   GLN  88          2HB       GLN  88  -0.618 -13.372   9.290
  673   2HB   GLN  88          1HB       GLN  88  -1.434 -11.941   9.909
  674   1HG   GLN  88          2HG       GLN  88  -3.216 -12.268   8.184
  675   2HG   GLN  88          1HG       GLN  88  -2.436 -13.780   7.722
  676   1HE2  GLN  88          1HE2      GLN  88  -2.963 -15.605   8.935
  677   2HE2  GLN  88          2HE2      GLN  88  -3.832 -15.582  10.392
  678    H    ALA  89           H        ALA  89   1.773 -11.809   8.919
  679    HA   ALA  89           HA       ALA  89   1.793  -9.409  10.467
  680   1HB   ALA  89          1HB       ALA  89   4.280  -9.652  10.416
  681   2HB   ALA  89          2HB       ALA  89   4.105 -10.920   9.203
  682   3HB   ALA  89          3HB       ALA  89   3.466 -11.161  10.829
  683    H    ALA  90           H        ALA  90   2.855 -10.096   7.144
  684    HA   ALA  90           HA       ALA  90   3.830  -7.465   6.572
  685   1HB   ALA  90          1HB       ALA  90   4.389  -9.174   5.003
  686   2HB   ALA  90          2HB       ALA  90   3.243  -8.138   4.154
  687   3HB   ALA  90          3HB       ALA  90   2.707  -9.674   4.834
  688    H    ALA  91           H        ALA  91   0.650  -8.790   6.921
  689    HA   ALA  91           HA       ALA  91  -0.802  -6.846   5.395
  690   1HB   ALA  91          1HB       ALA  91  -2.718  -7.720   6.425
  691   2HB   ALA  91          2HB       ALA  91  -1.894  -8.024   7.949
  692   3HB   ALA  91          3HB       ALA  91  -1.599  -9.065   6.559
  693    H    GLU  92           H        GLU  92  -0.017  -7.000   8.879
  694    HA   GLU  92           HA       GLU  92  -1.069  -4.414   9.494
  695   1HB   GLU  92          2HB       GLU  92   0.785  -6.348  10.844
  696   2HB   GLU  92          1HB       GLU  92   0.697  -4.707  11.481
  697   1HG   GLU  92          2HG       GLU  92  -1.504  -4.935  12.181
  698   2HG   GLU  92          1HG       GLU  92  -1.904  -6.101  10.921
  699    H    GLN  93           H        GLN  93   1.732  -5.234   7.687
  700    HA   GLN  93           HA       GLN  93   3.261  -2.882   8.522
  701   1HB   GLN  93          2HB       GLN  93   4.933  -3.652   7.118
  702   2HB   GLN  93          1HB       GLN  93   4.083  -5.153   7.406
  703   1HG   GLN  93          2HG       GLN  93   4.183  -5.306   5.111
  704   2HG   GLN  93          1HG       GLN  93   2.745  -4.310   5.189
  705   1HE2  GLN  93          1HE2      GLN  93   3.095  -1.947   5.067
  706   2HE2  GLN  93          2HE2      GLN  93   4.382  -1.348   4.136
  707    H    LEU  94           H        LEU  94   0.889  -3.725   6.099
  708    HA   LEU  94           HA       LEU  94   1.109  -1.313   4.540
  709   1HB   LEU  94          2HB       LEU  94  -0.150  -3.348   3.805
  710   2HB   LEU  94          1HB       LEU  94  -1.358  -2.991   5.028
  711    HG   LEU  94           HG       LEU  94  -1.760  -0.778   3.960
  712   1HD1  LEU  94          1HD1      LEU  94  -0.830  -0.732   1.470
  713   2HD1  LEU  94          2HD1      LEU  94   0.440  -1.744   2.151
  714   3HD1  LEU  94          3HD1      LEU  94   0.154  -0.128   2.799
  715   1HD2  LEU  94          1HD2      LEU  94  -3.175  -1.624   2.303
  716   2HD2  LEU  94          2HD2      LEU  94  -2.907  -3.051   3.295
  717   3HD2  LEU  94          3HD2      LEU  94  -2.018  -2.851   1.793
  718    H    LYS  95           H        LYS  95  -1.087  -2.282   7.166
  719    HA   LYS  95           HA       LYS  95  -2.565   0.073   7.477
  720   1HB   LYS  95          2HB       LYS  95  -1.516  -1.868   9.552
  721   2HB   LYS  95          1HB       LYS  95  -2.671  -0.595   9.935
  722   1HG   LYS  95          2HG       LYS  95  -4.392  -1.573   8.677
  723   2HG   LYS  95          1HG       LYS  95  -3.273  -2.457   7.646
  724   1HD   LYS  95          2HD       LYS  95  -3.357  -4.298   8.996
  725   2HD   LYS  95          1HD       LYS  95  -2.969  -3.355  10.427
  726   1HE   LYS  95          2HE       LYS  95  -5.451  -2.631  10.409
  727   2HE   LYS  95          1HE       LYS  95  -5.692  -3.953   9.265
  728   1HZ   LYS  95          1HZ       LYS  95  -4.558  -5.403  10.937
  729   2HZ   LYS  95          2HZ       LYS  95  -6.083  -4.817  11.406
  730   3HZ   LYS  95          3HZ       LYS  95  -4.669  -4.119  12.038
  731    H    THR  96           H        THR  96   0.269  -0.730   9.509
  732    HA   THR  96           HA       THR  96   0.579   1.936  10.489
  733    HB   THR  96           HB       THR  96   2.841  -0.058  10.273
  734    HG1  THR  96           1HG      THR  96   0.961  -0.030  12.366
  735   1HG2  THR  96          1HG2      THR  96   3.352   2.158  11.203
  736   2HG2  THR  96          2HG2      THR  96   3.439   0.928  12.463
  737   3HG2  THR  96          3HG2      THR  96   2.033   1.988  12.361
  738    H    THR  97           H        THR  97   1.915   0.328   7.613
  739    HA   THR  97           HA       THR  97   4.017   2.067   7.013
  740    HB   THR  97           HB       THR  97   2.076   0.604   5.258
  741    HG1  THR  97           1HG      THR  97   4.583   0.093   4.749
  742   1HG2  THR  97          1HG2      THR  97   3.742   1.286   3.368
  743   2HG2  THR  97          2HG2      THR  97   4.095   2.666   4.407
  744   3HG2  THR  97          3HG2      THR  97   2.457   2.411   3.806
  745    H    ILE  98           H        ILE  98   0.591   2.518   5.996
  746    HA   ILE  98           HA       ILE  98   0.922   5.097   4.903
  747    HB   ILE  98           HB       ILE  98  -1.369   3.648   6.213
  748   1HG1  ILE  98          2HG1      ILE  98  -2.083   4.564   3.620
  749   2HG1  ILE  98          1HG1      ILE  98  -0.402   4.069   3.469
  750   1HG2  ILE  98          1HG2      ILE  98  -2.869   5.554   5.498
  751   2HG2  ILE  98          2HG2      ILE  98  -1.416   6.530   5.353
  752   3HG2  ILE  98          3HG2      ILE  98  -1.866   5.856   6.914
  753   1HD1  ILE  98          1HD1      ILE  98  -2.057   2.244   3.012
  754   2HD1  ILE  98          2HD1      ILE  98  -2.561   2.336   4.699
  755   3HD1  ILE  98          3HD1      ILE  98  -0.912   1.861   4.296
  756    H    ARG  99           H        ARG  99  -0.076   4.297   8.269
  757    HA   ARG  99           HA       ARG  99   0.018   6.959   9.199
  758   1HB   ARG  99          2HB       ARG  99  -0.726   4.611  10.256
  759   2HB   ARG  99          1HB       ARG  99   0.864   4.706  10.995
  760   1HG   ARG  99          2HG       ARG  99  -1.151   6.967  11.140
  761   2HG   ARG  99          1HG       ARG  99  -1.039   5.691  12.329
  762   1HD   ARG  99          2HD       ARG  99   1.125   7.676  11.609
  763   2HD   ARG  99          1HD       ARG  99   0.266   7.554  13.143
  764    HE   ARG  99           HE       ARG  99   2.489   5.860  12.279
  765   1HH1  ARG  99          1HH2      ARG  99  -0.295   6.241  14.279
  766   2HH1  ARG  99          2HH2      ARG  99   0.221   5.072  15.447
  767   1HH2  ARG  99          1HH1      ARG  99   3.176   4.329  13.791
  768   2HH2  ARG  99          2HH1      ARG  99   2.184   3.984  15.166
  769    H    ALA 100           H        ALA 100   2.601   4.463   9.361
  770    HA   ALA 100           HA       ALA 100   4.556   6.128  10.607
  771   1HB   ALA 100          1HB       ALA 100   6.210   4.508   9.532
  772   2HB   ALA 100          2HB       ALA 100   4.817   3.725   8.788
  773   3HB   ALA 100          3HB       ALA 100   4.968   3.772  10.545
  774    H    TYR 101           H        TYR 101   3.587   5.784   7.285
  775    HA   TYR 101           HA       TYR 101   5.780   7.272   6.108
  776   1HB   TYR 101          2HB       TYR 101   3.077   6.296   5.189
  777   2HB   TYR 101          1HB       TYR 101   3.922   7.486   4.213
  778    HD1  TYR 101           1HD      TYR 101   5.757   4.944   6.168
  779    HD2  TYR 101           2HD      TYR 101   4.150   5.961   2.303
  780    HE1  TYR 101           1HE      TYR 101   7.099   3.141   5.135
  781    HE2  TYR 101           2HE      TYR 101   5.503   4.151   1.276
  782    HH   TYR 101           HH       TYR 101   7.175   2.686   1.622
  783    H    ASN 102           H        ASN 102   3.250   8.017   8.096
  784    HA   ASN 102           HA       ASN 102   2.654  10.153   8.986
  785   1HB   ASN 102          2HB       ASN 102   4.602  11.218   7.631
  786   2HB   ASN 102          1HB       ASN 102   3.418  11.439   6.341
  787   1HD2  ASN 102          1HD2      ASN 102   1.339  12.595   7.009
  788   2HD2  ASN 102          2HD2      ASN 102   1.473  13.841   8.159
  789    H    GLN 103           H        GLN 103   0.814   8.555   8.408
  790    HA   GLN 103           HA       GLN 103  -1.150   8.041   7.311
  791   1HB   GLN 103          2HB       GLN 103  -1.015  10.988   7.640
  792   2HB   GLN 103          1HB       GLN 103  -2.297  10.373   6.594
  793   1HG   GLN 103          2HG       GLN 103  -1.781   9.385   9.416
  794   2HG   GLN 103          1HG       GLN 103  -2.979  10.621   9.019
  795   1HE2  GLN 103          1HE2      GLN 103  -2.857   8.509   6.404
  796   2HE2  GLN 103          2HE2      GLN 103  -4.090   7.450   6.853
  797    H    LYS 104           H        LYS 104   0.721   7.429   5.788
  798    HA   LYS 104           HA       LYS 104   1.458   7.005   3.677
  799   1HB   LYS 104          2HB       LYS 104  -0.707   6.386   3.160
  800   2HB   LYS 104          1HB       LYS 104  -1.323   8.011   3.285
  801   1HG   LYS 104          2HG       LYS 104  -1.144   7.119   0.938
  802   2HG   LYS 104          1HG       LYS 104  -0.289   8.642   1.197
  803   1HD   LYS 104          2HD       LYS 104   1.842   7.570   1.183
  804   2HD   LYS 104          1HD       LYS 104   1.145   5.994   1.586
  805   1HE   LYS 104          2HE       LYS 104   0.412   5.624  -0.609
  806   2HE   LYS 104          1HE       LYS 104   0.441   7.339  -1.022
  807   1HZ   LYS 104          1HZ       LYS 104   3.000   6.882  -0.368
  808   2HZ   LYS 104          2HZ       LYS 104   2.393   6.828  -1.955
  809   3HZ   LYS 104          3HZ       LYS 104   2.576   5.394  -1.062
  810    H    TYR 105           H        TYR 105  -0.223  10.076   2.835
  811    HA   TYR 105           HA       TYR 105   2.440  11.371   2.716
  812   1HB   TYR 105          2HB       TYR 105   1.206  10.284   0.393
  813   2HB   TYR 105          1HB       TYR 105   1.031  12.032   0.256
  814    HD1  TYR 105           1HD      TYR 105   3.520   9.351   0.953
  815    HD2  TYR 105           2HD      TYR 105   2.864  13.365  -0.413
  816    HE1  TYR 105           1HE      TYR 105   5.897   9.513   0.309
  817    HE2  TYR 105           2HE      TYR 105   5.251  13.532  -1.069
  818    HH   TYR 105           HH       TYR 105   7.593  11.454  -0.007
  819    H    GLY 106           H        GLY 106  -0.649  11.526   3.700
  820   1HA   GLY 106          2HA       GLY 106  -1.729  13.342   4.738
  821   2HA   GLY 106          1HA       GLY 106  -0.489  14.418   4.099
  Start of MODEL    3
    1    HA   ALA   1           HA       ALA   1 -16.349   6.194  -1.868
    2   1HB   ALA   1          1HB       ALA   1 -13.948   5.280  -3.460
    3   2HB   ALA   1          2HB       ALA   1 -15.189   4.288  -2.694
    4   3HB   ALA   1          3HB       ALA   1 -14.007   5.144  -1.702
    5    H    ASP   2           H        ASP   2 -15.740   7.635  -0.314
    6    HA   ASP   2           HA       ASP   2 -14.207   9.998  -1.077
    7   1HB   ASP   2          2HB       ASP   2 -15.033   9.224   1.727
    8   2HB   ASP   2          1HB       ASP   2 -14.745  10.842   1.087
    9    H    LEU   3           H        LEU   3 -12.310  10.709   0.269
   10    HA   LEU   3           HA       LEU   3 -10.150   8.942   0.146
   11   1HB   LEU   3          2HB       LEU   3 -10.700  11.411   1.776
   12   2HB   LEU   3          1HB       LEU   3  -9.215  10.516   2.053
   13    HG   LEU   3           HG       LEU   3  -9.025  12.416   0.390
   14   1HD1  LEU   3          1HD1      LEU   3  -7.594  10.207   0.437
   15   2HD1  LEU   3          2HD1      LEU   3  -7.470  11.302  -0.936
   16   3HD1  LEU   3          3HD1      LEU   3  -8.448   9.846  -1.062
   17   1HD2  LEU   3          1HD2      LEU   3 -10.568  10.575  -1.454
   18   2HD2  LEU   3          2HD2      LEU   3 -10.016  12.216  -1.780
   19   3HD2  LEU   3          3HD2      LEU   3 -11.309  11.938  -0.616
   20    H    GLU   4           H        GLU   4 -11.980   9.780   3.108
   21    HA   GLU   4           HA       GLU   4 -10.682   7.884   4.780
   22   1HB   GLU   4          2HB       GLU   4 -12.496   8.235   6.326
   23   2HB   GLU   4          1HB       GLU   4 -12.202   9.775   5.519
   24   1HG   GLU   4          2HG       GLU   4 -14.030   8.986   3.831
   25   2HG   GLU   4          1HG       GLU   4 -14.460   7.820   5.083
   26    H    ASP   5           H        ASP   5 -13.273   7.500   2.442
   27    HA   ASP   5           HA       ASP   5 -14.056   4.880   3.445
   28   1HB   ASP   5          2HB       ASP   5 -15.689   6.185   2.209
   29   2HB   ASP   5          1HB       ASP   5 -14.613   6.290   0.817
   30    H    ASN   6           H        ASN   6 -11.798   6.049   0.941
   31    HA   ASN   6           HA       ASN   6 -11.289   3.572  -0.332
   32   1HB   ASN   6          2HB       ASN   6  -9.979   5.137  -1.410
   33   2HB   ASN   6          1HB       ASN   6  -9.859   6.140   0.032
   34   1HD2  ASN   6          1HD2      ASN   6  -8.390   4.933   1.820
   35   2HD2  ASN   6          2HD2      ASN   6  -6.928   4.331   1.220
   36    H    TRP   7           H        TRP   7 -10.105   4.964   2.678
   37    HA   TRP   7           HA       TRP   7  -8.334   2.896   3.483
   38   1HB   TRP   7          2HB       TRP   7  -9.840   5.110   4.770
   39   2HB   TRP   7          1HB       TRP   7  -9.455   3.791   5.862
   40    HD1  TRP   7           HD       TRP   7  -7.609   5.808   3.144
   41    HE1  TRP   7           1HE      TRP   7  -5.237   6.342   3.981
   42    HE3  TRP   7           3HE      TRP   7  -7.744   3.491   7.687
   43    HZ2  TRP   7           2HZ      TRP   7  -3.616   5.873   6.286
   44    HZ3  TRP   7           3HZ      TRP   7  -5.770   3.550   9.186
   45    HH2  TRP   7           HH       TRP   7  -3.701   4.733   8.492
   46    H    GLU   8           H        GLU   8 -11.843   3.282   3.845
   47    HA   GLU   8           HA       GLU   8 -12.346   1.010   5.469
   48   1HB   GLU   8          2HB       GLU   8 -13.992   2.832   4.755
   49   2HB   GLU   8          1HB       GLU   8 -14.156   1.936   3.248
   50   1HG   GLU   8          2HG       GLU   8 -14.793  -0.088   4.545
   51   2HG   GLU   8          1HG       GLU   8 -14.708   0.865   6.026
   52    H    THR   9           H        THR   9 -12.177   1.326   1.917
   53    HA   THR   9           HA       THR   9 -12.742  -1.382   1.274
   54    HB   THR   9           HB       THR   9 -10.621   0.207  -0.213
   55    HG1  THR   9           1HG      THR   9 -13.309   0.609  -0.801
   56   1HG2  THR   9          1HG2      THR   9 -11.416  -2.140  -0.872
   57   2HG2  THR   9          2HG2      THR   9 -11.501  -0.903  -2.125
   58   3HG2  THR   9          3HG2      THR   9 -12.962  -1.392  -1.270
   59    H    LEU  10           H        LEU  10  -9.599   0.215   1.708
   60    HA   LEU  10           HA       LEU  10  -8.020  -2.152   1.719
   61   1HB   LEU  10          2HB       LEU  10  -7.688   0.665   2.706
   62   2HB   LEU  10          1HB       LEU  10  -6.440  -0.531   3.031
   63    HG   LEU  10           HG       LEU  10  -7.198  -0.674   0.208
   64   1HD1  LEU  10          1HD1      LEU  10  -7.882   1.621   0.342
   65   2HD1  LEU  10          2HD1      LEU  10  -6.302   1.575  -0.438
   66   3HD1  LEU  10          3HD1      LEU  10  -6.437   2.057   1.253
   67   1HD2  LEU  10          1HD2      LEU  10  -4.783  -0.201  -0.105
   68   2HD2  LEU  10          2HD2      LEU  10  -5.054  -1.452   1.110
   69   3HD2  LEU  10          3HD2      LEU  10  -4.652   0.192   1.611
   70    H    ASN  11           H        ASN  11  -9.983  -0.641   4.180
   71    HA   ASN  11           HA       ASN  11  -8.679  -1.725   6.480
   72   1HB   ASN  11          2HB       ASN  11 -10.526   0.028   6.432
   73   2HB   ASN  11          1HB       ASN  11 -11.658  -1.312   6.191
   74   1HD2  ASN  11          1HD2      ASN  11  -9.238  -2.680   7.951
   75   2HD2  ASN  11          2HD2      ASN  11  -9.802  -2.401   9.527
   76    H    ASP  12           H        ASP  12 -11.776  -2.816   5.146
   77    HA   ASP  12           HA       ASP  12 -11.870  -5.310   6.430
   78   1HB   ASP  12          2HB       ASP  12 -12.932  -4.442   3.751
   79   2HB   ASP  12          1HB       ASP  12 -13.344  -5.986   4.489
   80    H    ASN  13           H        ASN  13  -9.816  -4.287   3.844
   81    HA   ASN  13           HA       ASN  13  -9.525  -6.872   2.626
   82   1HB   ASN  13          2HB       ASN  13  -7.969  -4.322   2.583
   83   2HB   ASN  13          1HB       ASN  13  -7.114  -5.771   2.077
   84   1HD2  ASN  13          1HD2      ASN  13  -9.970  -3.745   1.341
   85   2HD2  ASN  13          2HD2      ASN  13 -10.124  -4.278  -0.266
   86    H    LEU  14           H        LEU  14  -7.389  -5.184   4.981
   87    HA   LEU  14           HA       LEU  14  -5.705  -7.392   5.533
   88   1HB   LEU  14          2HB       LEU  14  -6.595  -5.047   7.222
   89   2HB   LEU  14          1HB       LEU  14  -5.474  -6.254   7.847
   90    HG   LEU  14           HG       LEU  14  -4.392  -4.186   6.856
   91   1HD1  LEU  14          1HD1      LEU  14  -2.590  -5.356   5.893
   92   2HD1  LEU  14          2HD1      LEU  14  -3.621  -6.622   5.255
   93   3HD1  LEU  14          3HD1      LEU  14  -3.319  -6.521   6.991
   94   1HD2  LEU  14          1HD2      LEU  14  -4.395  -3.841   4.502
   95   2HD2  LEU  14          2HD2      LEU  14  -6.067  -4.041   4.977
   96   3HD2  LEU  14          3HD2      LEU  14  -5.214  -5.372   4.201
   97    H    LYS  15           H        LYS  15  -8.852  -6.509   6.765
   98    HA   LYS  15           HA       LYS  15  -9.035  -8.274   8.962
   99   1HB   LYS  15          2HB       LYS  15 -10.661  -6.471   8.362
  100   2HB   LYS  15          1HB       LYS  15 -11.224  -7.462   7.023
  101   1HG   LYS  15          2HG       LYS  15 -11.695  -9.275   8.815
  102   2HG   LYS  15          1HG       LYS  15 -11.512  -7.969   9.983
  103   1HD   LYS  15          2HD       LYS  15 -13.805  -7.843   9.581
  104   2HD   LYS  15          1HD       LYS  15 -13.215  -6.709   8.363
  105   1HE   LYS  15          2HE       LYS  15 -14.859  -8.285   7.402
  106   2HE   LYS  15          1HE       LYS  15 -13.275  -8.499   6.663
  107   1HZ   LYS  15          1HZ       LYS  15 -14.248 -10.119   8.948
  108   2HZ   LYS  15          2HZ       LYS  15 -12.865 -10.395   8.000
  109   3HZ   LYS  15          3HZ       LYS  15 -14.412 -10.595   7.329
  110    H    VAL  16           H        VAL  16  -9.871  -8.861   5.521
  111    HA   VAL  16           HA       VAL  16 -10.745 -11.536   6.030
  112    HB   VAL  16           HB       VAL  16 -10.123  -9.875   3.608
  113   1HG1  VAL  16          1HG1      VAL  16 -10.717 -11.889   2.192
  114   2HG1  VAL  16          2HG1      VAL  16 -10.443 -12.884   3.622
  115   3HG1  VAL  16          3HG1      VAL  16  -9.118 -11.949   2.931
  116   1HG2  VAL  16          1HG2      VAL  16 -12.436 -10.348   3.094
  117   2HG2  VAL  16          2HG2      VAL  16 -12.340  -9.903   4.799
  118   3HG2  VAL  16          3HG2      VAL  16 -12.503 -11.597   4.339
  119    H    ILE  17           H        ILE  17  -7.660 -10.464   4.428
  120    HA   ILE  17           HA       ILE  17  -6.522 -13.027   4.300
  121    HB   ILE  17           HB       ILE  17  -4.467 -11.143   5.231
  122   1HG1  ILE  17          2HG1      ILE  17  -6.285 -10.193   2.988
  123   2HG1  ILE  17          1HG1      ILE  17  -6.141  -9.444   4.576
  124   1HG2  ILE  17          1HG2      ILE  17  -4.214 -13.123   3.670
  125   2HG2  ILE  17          2HG2      ILE  17  -3.466 -11.629   3.107
  126   3HG2  ILE  17          3HG2      ILE  17  -5.006 -12.154   2.426
  127   1HD1  ILE  17          1HD1      ILE  17  -4.707  -8.180   3.153
  128   2HD1  ILE  17          2HD1      ILE  17  -4.038  -9.637   2.418
  129   3HD1  ILE  17          3HD1      ILE  17  -3.640  -9.228   4.085
  130    H    GLU  18           H        GLU  18  -6.516 -10.776   7.029
  131    HA   GLU  18           HA       GLU  18  -5.105 -12.397   8.883
  132   1HB   GLU  18          2HB       GLU  18  -7.384 -10.442   9.336
  133   2HB   GLU  18          1HB       GLU  18  -6.370 -11.098  10.618
  134   1HG   GLU  18          2HG       GLU  18  -4.965  -9.806   8.299
  135   2HG   GLU  18          1HG       GLU  18  -5.817  -8.741   9.412
  136    H    LYS  19           H        LYS  19  -8.439 -12.467   7.734
  137    HA   LYS  19           HA       LYS  19  -8.936 -14.916   9.396
  138   1HB   LYS  19          2HB       LYS  19 -10.880 -12.710   8.653
  139   2HB   LYS  19          1HB       LYS  19 -11.304 -14.179   9.531
  140   1HG   LYS  19          2HG       LYS  19 -10.313 -13.464  11.495
  141   2HG   LYS  19          1HG       LYS  19  -9.031 -12.596  10.662
  142   1HD   LYS  19          2HD       LYS  19 -10.647 -11.113  11.890
  143   2HD   LYS  19          1HD       LYS  19 -10.486 -10.735  10.176
  144   1HE   LYS  19          2HE       LYS  19 -12.620 -11.524   9.675
  145   2HE   LYS  19          1HE       LYS  19 -12.626 -12.676  11.011
  146   1HZ   LYS  19          1HZ       LYS  19 -14.071 -10.626  11.246
  147   2HZ   LYS  19          2HZ       LYS  19 -12.629  -9.757  11.472
  148   3HZ   LYS  19          3HZ       LYS  19 -13.053 -10.998  12.551
  149    H    ALA  20           H        ALA  20  -7.901 -14.844   6.683
  150    HA   ALA  20           HA       ALA  20  -9.964 -15.234   4.734
  151   1HB   ALA  20          1HB       ALA  20  -7.845 -14.862   3.807
  152   2HB   ALA  20          2HB       ALA  20  -8.040 -16.595   3.574
  153   3HB   ALA  20          3HB       ALA  20  -7.060 -15.989   4.910
  154    H    ASP  21           H        ASP  21  -8.919 -17.213   7.306
  155    HA   ASP  21           HA       ASP  21  -9.553 -19.347   8.000
  156   1HB   ASP  21          2HB       ASP  21 -11.532 -19.297   5.703
  157   2HB   ASP  21          1HB       ASP  21 -11.606 -20.281   7.161
  158    H    ASN  22           H        ASN  22  -8.949 -18.840   4.575
  159    HA   ASN  22           HA       ASN  22  -7.255 -21.248   4.537
  160   1HB   ASN  22          2HB       ASN  22  -9.439 -20.988   2.462
  161   2HB   ASN  22          1HB       ASN  22  -8.379 -22.366   2.756
  162   1HD2  ASN  22          1HD2      ASN  22 -11.222 -20.642   3.954
  163   2HD2  ASN  22          2HD2      ASN  22 -11.707 -21.839   5.057
  164    H    ALA  23           H        ALA  23  -5.778 -21.231   2.734
  165    HA   ALA  23           HA       ALA  23  -4.814 -18.719   1.925
  166   1HB   ALA  23          1HB       ALA  23  -4.523 -21.054   0.047
  167   2HB   ALA  23          2HB       ALA  23  -3.829 -21.176   1.660
  168   3HB   ALA  23          3HB       ALA  23  -3.311 -19.886   0.577
  169    H    ALA  24           H        ALA  24  -7.638 -20.316   0.898
  170    HA   ALA  24           HA       ALA  24  -7.791 -19.393  -1.812
  171   1HB   ALA  24          1HB       ALA  24  -9.241 -21.172  -0.689
  172   2HB   ALA  24          2HB       ALA  24 -10.091 -20.027  -1.726
  173   3HB   ALA  24          3HB       ALA  24 -10.152 -19.842   0.026
  174    H    GLN  25           H        GLN  25  -9.573 -18.121   1.052
  175    HA   GLN  25           HA       GLN  25 -10.337 -15.722  -0.329
  176   1HB   GLN  25          2HB       GLN  25 -10.137 -16.272   2.639
  177   2HB   GLN  25          1HB       GLN  25 -10.909 -14.865   1.923
  178   1HG   GLN  25          2HG       GLN  25 -12.835 -16.039   1.557
  179   2HG   GLN  25          1HG       GLN  25 -11.958 -17.271   0.656
  180   1HE2  GLN  25          1HE2      GLN  25 -11.474 -19.256   1.733
  181   2HE2  GLN  25          2HE2      GLN  25 -11.964 -19.590   3.325
  182    H    VAL  26           H        VAL  26  -7.314 -16.651   0.929
  183    HA   VAL  26           HA       VAL  26  -6.394 -14.059   1.799
  184    HB   VAL  26           HB       VAL  26  -5.030 -16.611   0.916
  185   1HG1  VAL  26          1HG1      VAL  26  -2.890 -15.454   1.710
  186   2HG1  VAL  26          2HG1      VAL  26  -3.776 -13.941   1.532
  187   3HG1  VAL  26          3HG1      VAL  26  -3.507 -14.975   0.134
  188   1HG2  VAL  26          1HG2      VAL  26  -4.113 -16.357   3.324
  189   2HG2  VAL  26          2HG2      VAL  26  -5.798 -16.815   3.134
  190   3HG2  VAL  26          3HG2      VAL  26  -5.380 -15.151   3.536
  191    H    LYS  27           H        LYS  27  -5.695 -15.918  -1.174
  192    HA   LYS  27           HA       LYS  27  -4.471 -13.787  -2.569
  193   1HB   LYS  27          2HB       LYS  27  -5.209 -15.102  -4.661
  194   2HB   LYS  27          1HB       LYS  27  -4.163 -15.927  -3.510
  195   1HG   LYS  27          2HG       LYS  27  -6.160 -16.982  -2.474
  196   2HG   LYS  27          1HG       LYS  27  -7.177 -16.194  -3.672
  197   1HD   LYS  27          2HD       LYS  27  -4.864 -17.926  -4.540
  198   2HD   LYS  27          1HD       LYS  27  -6.402 -18.655  -4.092
  199   1HE   LYS  27          2HE       LYS  27  -7.535 -17.157  -5.762
  200   2HE   LYS  27          1HE       LYS  27  -5.943 -16.606  -6.279
  201   1HZ   LYS  27          1HZ       LYS  27  -6.967 -18.497  -7.574
  202   2HZ   LYS  27          2HZ       LYS  27  -6.669 -19.472  -6.215
  203   3HZ   LYS  27          3HZ       LYS  27  -5.378 -18.730  -7.033
  204    H    ASP  28           H        ASP  28  -7.879 -14.579  -2.169
  205    HA   ASP  28           HA       ASP  28  -8.920 -12.896  -4.232
  206   1HB   ASP  28          2HB       ASP  28  -9.970 -14.626  -2.363
  207   2HB   ASP  28          1HB       ASP  28 -10.502 -13.089  -1.717
  208    H    ALA  29           H        ALA  29  -8.743 -12.224  -0.732
  209    HA   ALA  29           HA       ALA  29  -9.444  -9.522  -0.831
  210   1HB   ALA  29          1HB       ALA  29  -7.763 -11.160   1.018
  211   2HB   ALA  29          2HB       ALA  29  -9.251 -10.273   1.344
  212   3HB   ALA  29          3HB       ALA  29  -7.722  -9.408   1.216
  213    H    LEU  30           H        LEU  30  -6.175 -10.898  -1.342
  214    HA   LEU  30           HA       LEU  30  -4.838  -8.394  -1.501
  215   1HB   LEU  30          2HB       LEU  30  -4.256 -11.111  -2.672
  216   2HB   LEU  30          1HB       LEU  30  -3.198  -9.736  -3.039
  217    HG   LEU  30           HG       LEU  30  -3.943 -10.325  -0.163
  218   1HD1  LEU  30          1HD1      LEU  30  -1.584 -11.585  -1.564
  219   2HD1  LEU  30          2HD1      LEU  30  -3.077 -12.455  -1.216
  220   3HD1  LEU  30          3HD1      LEU  30  -2.090 -11.829   0.104
  221   1HD2  LEU  30          1HD2      LEU  30  -2.538  -8.285  -1.279
  222   2HD2  LEU  30          2HD2      LEU  30  -1.224  -9.427  -1.029
  223   3HD2  LEU  30          3HD2      LEU  30  -2.208  -8.901   0.337
  224    H    THR  31           H        THR  31  -6.481 -10.284  -4.041
  225    HA   THR  31           HA       THR  31  -5.786  -8.632  -6.234
  226    HB   THR  31           HB       THR  31  -8.198 -10.362  -5.631
  227    HG1  THR  31           1HG      THR  31  -6.888 -11.789  -6.377
  228   1HG2  THR  31          1HG2      THR  31  -8.610 -10.133  -8.148
  229   2HG2  THR  31          2HG2      THR  31  -7.587  -8.700  -8.072
  230   3HG2  THR  31          3HG2      THR  31  -9.083  -8.765  -7.142
  231    H    LYS  32           H        LYS  32  -8.251  -8.267  -3.733
  232    HA   LYS  32           HA       LYS  32  -9.570  -6.031  -5.043
  233   1HB   LYS  32          2HB       LYS  32  -9.714  -6.333  -2.055
  234   2HB   LYS  32          1HB       LYS  32 -10.990  -5.926  -3.198
  235   1HG   LYS  32          2HG       LYS  32  -9.749  -8.671  -2.956
  236   2HG   LYS  32          1HG       LYS  32 -11.224  -8.201  -2.149
  237   1HD   LYS  32          2HD       LYS  32 -12.470  -8.195  -4.098
  238   2HD   LYS  32          1HD       LYS  32 -11.105  -7.735  -5.106
  239   1HE   LYS  32          2HE       LYS  32 -10.489  -9.920  -5.489
  240   2HE   LYS  32          1HE       LYS  32 -10.902 -10.449  -3.859
  241   1HZ   LYS  32          1HZ       LYS  32 -12.387 -10.795  -6.158
  242   2HZ   LYS  32          2HZ       LYS  32 -13.225  -9.625  -5.255
  243   3HZ   LYS  32          3HZ       LYS  32 -12.864 -11.136  -4.567
  244    H    MET  33           H        MET  33  -7.022  -6.436  -2.639
  245    HA   MET  33           HA       MET  33  -6.690  -3.679  -1.976
  246   1HB   MET  33          2HB       MET  33  -4.947  -6.117  -1.953
  247   2HB   MET  33          1HB       MET  33  -4.207  -4.551  -1.621
  248   1HG   MET  33          2HG       MET  33  -6.445  -4.512   0.043
  249   2HG   MET  33          1HG       MET  33  -5.964  -6.201   0.098
  250   1HE   MET  33          1HE       MET  33  -4.049  -7.142   1.062
  251   2HE   MET  33          2HE       MET  33  -2.601  -6.334   1.653
  252   3HE   MET  33          3HE       MET  33  -2.931  -6.382  -0.073
  253    H    ARG  34           H        ARG  34  -5.284  -5.667  -4.591
  254    HA   ARG  34           HA       ARG  34  -3.493  -3.820  -5.719
  255   1HB   ARG  34          2HB       ARG  34  -5.179  -6.043  -6.681
  256   2HB   ARG  34          1HB       ARG  34  -4.791  -4.892  -7.949
  257   1HG   ARG  34          2HG       ARG  34  -3.077  -6.612  -7.933
  258   2HG   ARG  34          1HG       ARG  34  -2.363  -5.119  -7.329
  259   1HD   ARG  34          2HD       ARG  34  -3.544  -7.123  -5.420
  260   2HD   ARG  34          1HD       ARG  34  -1.907  -7.336  -6.033
  261    HE   ARG  34           HE       ARG  34  -1.670  -4.829  -5.164
  262   1HH1  ARG  34          1HH2      ARG  34  -3.269  -7.530  -3.734
  263   2HH1  ARG  34          2HH2      ARG  34  -3.201  -6.875  -2.135
  264   1HH2  ARG  34          1HH1      ARG  34  -1.562  -3.980  -3.092
  265   2HH2  ARG  34          2HH1      ARG  34  -2.231  -4.875  -1.768
  266    H    ALA  35           H        ALA  35  -6.975  -4.127  -6.320
  267    HA   ALA  35           HA       ALA  35  -7.161  -1.780  -7.978
  268   1HB   ALA  35          1HB       ALA  35  -9.442  -2.877  -6.338
  269   2HB   ALA  35          2HB       ALA  35  -8.797  -3.770  -7.718
  270   3HB   ALA  35          3HB       ALA  35  -9.483  -2.159  -7.952
  271    H    ALA  36           H        ALA  36  -8.066  -2.321  -4.555
  272    HA   ALA  36           HA       ALA  36  -8.727   0.414  -4.005
  273   1HB   ALA  36          1HB       ALA  36  -7.589  -1.516  -1.979
  274   2HB   ALA  36          2HB       ALA  36  -9.232  -1.681  -2.598
  275   3HB   ALA  36          3HB       ALA  36  -8.763  -0.225  -1.722
  276    H    ALA  37           H        ALA  37  -5.688  -1.302  -4.232
  277    HA   ALA  37           HA       ALA  37  -4.068   0.509  -2.694
  278   1HB   ALA  37          1HB       ALA  37  -3.265  -1.709  -3.289
  279   2HB   ALA  37          2HB       ALA  37  -2.179  -0.485  -3.942
  280   3HB   ALA  37          3HB       ALA  37  -3.326  -1.300  -5.004
  281    H    LEU  38           H        LEU  38  -3.875   0.152  -6.241
  282    HA   LEU  38           HA       LEU  38  -2.614   2.667  -6.635
  283   1HB   LEU  38          2HB       LEU  38  -4.428   1.287  -8.629
  284   2HB   LEU  38          1HB       LEU  38  -3.142   2.443  -8.978
  285    HG   LEU  38           HG       LEU  38  -2.491  -0.106  -7.491
  286   1HD1  LEU  38          1HD1      LEU  38  -3.751  -0.771  -9.526
  287   2HD1  LEU  38          2HD1      LEU  38  -2.054  -1.239  -9.611
  288   3HD1  LEU  38          3HD1      LEU  38  -2.627   0.169 -10.506
  289   1HD2  LEU  38          1HD2      LEU  38  -0.930   1.577  -9.479
  290   2HD2  LEU  38          2HD2      LEU  38  -0.300   0.239  -8.519
  291   3HD2  LEU  38          3HD2      LEU  38  -0.804   1.730  -7.727
  292    H    ASP  39           H        ASP  39  -5.941   1.861  -6.072
  293    HA   ASP  39           HA       ASP  39  -7.136   4.225  -7.183
  294   1HB   ASP  39          2HB       ASP  39  -8.472   2.276  -6.351
  295   2HB   ASP  39          1HB       ASP  39  -7.980   2.672  -4.703
  296    H    ALA  40           H        ALA  40  -5.544   3.407  -4.162
  297    HA   ALA  40           HA       ALA  40  -5.932   5.924  -2.847
  298   1HB   ALA  40          1HB       ALA  40  -4.188   5.217  -1.349
  299   2HB   ALA  40          2HB       ALA  40  -3.562   4.069  -2.531
  300   3HB   ALA  40          3HB       ALA  40  -5.124   3.781  -1.765
  301    H    GLN  41           H        GLN  41  -3.738   4.794  -5.368
  302    HA   GLN  41           HA       GLN  41  -1.632   6.648  -5.361
  303   1HB   GLN  41          2HB       GLN  41  -2.281   4.870  -7.198
  304   2HB   GLN  41          1HB       GLN  41  -3.240   6.169  -7.893
  305   1HG   GLN  41          2HG       GLN  41  -0.315   6.661  -7.295
  306   2HG   GLN  41          1HG       GLN  41  -0.792   5.766  -8.725
  307   1HE2  GLN  41          1HE2      GLN  41  -1.820   8.820  -7.107
  308   2HE2  GLN  41          2HE2      GLN  41  -1.975   9.691  -8.548
  309    H    LYS  42           H        LYS  42  -4.931   7.039  -6.534
  310    HA   LYS  42           HA       LYS  42  -4.568  10.018  -6.595
  311   1HB   LYS  42          2HB       LYS  42  -7.021   8.725  -7.730
  312   2HB   LYS  42          1HB       LYS  42  -6.092  10.096  -8.329
  313   1HG   LYS  42          2HG       LYS  42  -4.239   8.132  -8.678
  314   2HG   LYS  42          1HG       LYS  42  -5.704   7.171  -8.822
  315   1HD   LYS  42          2HD       LYS  42  -5.362   7.836 -11.035
  316   2HD   LYS  42          1HD       LYS  42  -6.472   9.080 -10.466
  317   1HE   LYS  42          2HE       LYS  42  -4.682  10.651 -10.143
  318   2HE   LYS  42          1HE       LYS  42  -3.456   9.405 -10.383
  319   1HZ   LYS  42          1HZ       LYS  42  -5.164   9.412 -12.602
  320   2HZ   LYS  42          2HZ       LYS  42  -3.513   9.809 -12.541
  321   3HZ   LYS  42          3HZ       LYS  42  -4.690  11.013 -12.311
  322    H    ALA  43           H        ALA  43  -5.147   8.188  -4.212
  323    HA   ALA  43           HA       ALA  43  -7.110   9.906  -2.957
  324   1HB   ALA  43          1HB       ALA  43  -8.642   7.936  -2.390
  325   2HB   ALA  43          2HB       ALA  43  -7.846   7.073  -3.702
  326   3HB   ALA  43          3HB       ALA  43  -8.750   8.548  -4.040
  327    H    THR  44           H        THR  44  -4.617   9.587  -2.199
  328    HA   THR  44           HA       THR  44  -4.515   7.500  -0.056
  329    HB   THR  44           HB       THR  44  -2.636   7.285  -1.475
  330    HG1  THR  44           1HG      THR  44  -0.984   8.681  -0.170
  331   1HG2  THR  44          1HG2      THR  44  -1.293   9.629  -1.806
  332   2HG2  THR  44          2HG2      THR  44  -2.941  10.226  -1.771
  333   3HG2  THR  44          3HG2      THR  44  -2.467   9.023  -2.966
  334    HA   PRO  45           HA       PRO  45  -5.087  10.220   3.369
  335   1HB   PRO  45          2HB       PRO  45  -2.158   9.688   3.927
  336   2HB   PRO  45          1HB       PRO  45  -3.513   9.826   5.068
  337   1HG   PRO  45          2HG       PRO  45  -2.669   7.448   4.271
  338   2HG   PRO  45          1HG       PRO  45  -4.400   7.781   4.471
  339   1HD   PRO  45          2HD       PRO  45  -2.852   7.407   1.961
  340   2HD   PRO  45          1HD       PRO  45  -4.588   7.171   2.245
  341    HA   PRO  46           HA       PRO  46  -2.231  13.773   2.215
  342   1HB   PRO  46          2HB       PRO  46  -0.006  13.208   0.574
  343   2HB   PRO  46          1HB       PRO  46   0.008  13.261   2.347
  344   1HG   PRO  46          2HG       PRO  46   0.404  10.972   0.744
  345   2HG   PRO  46          1HG       PRO  46   0.124  10.998   2.501
  346   1HD   PRO  46          2HD       PRO  46  -1.839  10.553   0.272
  347   2HD   PRO  46          1HD       PRO  46  -1.734   9.754   1.850
  348    H    LYS  47           H        LYS  47  -3.191  11.648  -0.309
  349    HA   LYS  47           HA       LYS  47  -4.131  12.108  -2.390
  350   1HB   LYS  47          2HB       LYS  47  -3.903  15.077  -1.951
  351   2HB   LYS  47          1HB       LYS  47  -5.146  14.176  -2.793
  352   1HG   LYS  47          2HG       LYS  47  -6.429  13.982  -0.920
  353   2HG   LYS  47          1HG       LYS  47  -5.081  13.427   0.052
  354   1HD   LYS  47          2HD       LYS  47  -5.740  15.467   1.063
  355   2HD   LYS  47          1HD       LYS  47  -4.323  15.913   0.109
  356   1HE   LYS  47          2HE       LYS  47  -6.047  17.556  -0.309
  357   2HE   LYS  47          1HE       LYS  47  -5.884  16.565  -1.759
  358   1HZ   LYS  47          1HZ       LYS  47  -7.764  15.233  -1.005
  359   2HZ   LYS  47          2HZ       LYS  47  -8.199  16.866  -1.187
  360   3HZ   LYS  47          3HZ       LYS  47  -7.933  16.222   0.364
  361    H    LEU  48           H        LEU  48  -1.112  12.968  -1.373
  362    HA   LEU  48           HA       LEU  48   0.883  13.483  -2.452
  363   1HB   LEU  48          2HB       LEU  48   0.108  11.588  -3.965
  364   2HB   LEU  48          1HB       LEU  48  -0.587  12.801  -5.025
  365    HG   LEU  48           HG       LEU  48   1.661  12.042  -5.774
  366   1HD1  LEU  48          1HD1      LEU  48   2.377  14.127  -6.472
  367   2HD1  LEU  48          2HD1      LEU  48   2.029  14.899  -4.928
  368   3HD1  LEU  48          3HD1      LEU  48   0.715  14.480  -6.023
  369   1HD2  LEU  48          1HD2      LEU  48   2.928  13.539  -3.495
  370   2HD2  LEU  48          2HD2      LEU  48   3.600  12.284  -4.527
  371   3HD2  LEU  48          3HD2      LEU  48   2.446  11.857  -3.262
  372    H    GLU  49           H        GLU  49  -1.458  14.526  -4.962
  373    HA   GLU  49           HA       GLU  49  -0.248  17.189  -4.987
  374   1HB   GLU  49          2HB       GLU  49  -2.823  16.183  -6.243
  375   2HB   GLU  49          1HB       GLU  49  -2.094  17.761  -6.533
  376   1HG   GLU  49          2HG       GLU  49   0.023  16.406  -7.229
  377   2HG   GLU  49          1HG       GLU  49  -1.086  15.040  -7.357
  378    H    ASP  50           H        ASP  50  -0.556  18.148  -2.983
  379    HA   ASP  50           HA       ASP  50  -3.240  18.064  -1.711
  380   1HB   ASP  50          2HB       ASP  50  -2.069  19.327   0.121
  381   2HB   ASP  50          1HB       ASP  50  -1.327  17.767  -0.235
  382    H    LYS  51           H        LYS  51  -1.586  19.937  -3.955
  383    HA   LYS  51           HA       LYS  51  -3.618  22.001  -3.929
  384   1HB   LYS  51          2HB       LYS  51  -2.041  23.901  -3.524
  385   2HB   LYS  51          1HB       LYS  51  -2.294  22.890  -2.104
  386   1HG   LYS  51          2HG       LYS  51  -0.119  21.634  -3.261
  387   2HG   LYS  51          1HG       LYS  51   0.176  23.311  -3.715
  388   1HD   LYS  51          2HD       LYS  51   0.035  24.012  -1.377
  389   2HD   LYS  51          1HD       LYS  51  -0.370  22.370  -0.881
  390   1HE   LYS  51          2HE       LYS  51   1.816  21.593  -1.794
  391   2HE   LYS  51          1HE       LYS  51   2.225  23.267  -2.168
  392   1HZ   LYS  51          1HZ       LYS  51   2.749  23.659  -0.059
  393   2HZ   LYS  51          2HZ       LYS  51   2.672  21.982   0.202
  394   3HZ   LYS  51          3HZ       LYS  51   1.317  22.958   0.520
  395    H    SER  52           H        SER  52  -0.163  21.991  -4.889
  396    HA   SER  52           HA       SER  52  -0.643  21.335  -7.603
  397   1HB   SER  52          2HB       SER  52  -0.642  24.243  -6.851
  398   2HB   SER  52          1HB       SER  52  -0.037  23.743  -8.429
  399    HG   SER  52           HG       SER  52  -2.317  24.246  -8.362
  400    HA   PRO  53           HA       PRO  53   3.731  21.514  -5.864
  401   1HB   PRO  53          2HB       PRO  53   4.277  18.823  -6.416
  402   2HB   PRO  53          1HB       PRO  53   3.752  19.447  -4.853
  403   1HG   PRO  53          2HG       PRO  53   2.196  18.027  -6.929
  404   2HG   PRO  53          1HG       PRO  53   1.979  18.044  -5.173
  405   1HD   PRO  53          2HD       PRO  53   0.379  19.439  -6.942
  406   2HD   PRO  53          1HD       PRO  53   0.585  19.895  -5.243
  407    H    ASP  54           H        ASP  54   3.331  18.994  -8.288
  408    HA   ASP  54           HA       ASP  54   4.614  20.728 -10.351
  409   1HB   ASP  54          2HB       ASP  54   5.450  17.897  -9.617
  410   2HB   ASP  54          1HB       ASP  54   6.138  18.880 -10.919
  411    H    SER  55           H        SER  55   3.316  17.440  -9.824
  412    HA   SER  55           HA       SER  55   1.209  16.719 -10.711
  413   1HB   SER  55          2HB       SER  55   0.282  17.430 -12.773
  414   2HB   SER  55          1HB       SER  55   0.799  18.874 -11.917
  415    HG   SER  55           HG       SER  55   1.477  18.036 -14.337
  416    HA   PRO  56           HA       PRO  56   3.609  14.156 -13.902
  417   1HB   PRO  56          2HB       PRO  56   6.438  14.979 -13.839
  418   2HB   PRO  56          1HB       PRO  56   5.359  14.851 -15.242
  419   1HG   PRO  56          2HG       PRO  56   6.264  17.222 -14.296
  420   2HG   PRO  56          1HG       PRO  56   4.684  17.039 -15.082
  421   1HD   PRO  56          2HD       PRO  56   5.313  17.165 -12.144
  422   2HD   PRO  56          1HD       PRO  56   4.034  17.973 -13.054
  423    H    GLU  57           H        GLU  57   5.521  15.450 -11.231
  424    HA   GLU  57           HA       GLU  57   6.810  13.063 -10.385
  425   1HB   GLU  57          2HB       GLU  57   7.179  15.491  -9.573
  426   2HB   GLU  57          1HB       GLU  57   5.810  15.208  -8.499
  427   1HG   GLU  57          2HG       GLU  57   6.944  13.381  -7.405
  428   2HG   GLU  57          1HG       GLU  57   8.246  13.402  -8.596
  429    H    MET  58           H        MET  58   3.568  13.715 -10.626
  430    HA   MET  58           HA       MET  58   2.538  12.522  -8.226
  431   1HB   MET  58          2HB       MET  58   1.162  13.950  -9.665
  432   2HB   MET  58          1HB       MET  58   1.316  12.804 -10.989
  433   1HG   MET  58          2HG       MET  58   0.163  11.082  -9.606
  434   2HG   MET  58          1HG       MET  58  -0.017  12.269  -8.315
  435   1HE   MET  58          1HE       MET  58  -1.353  10.669 -11.347
  436   2HE   MET  58          2HE       MET  58  -0.494  11.939 -12.215
  437   3HE   MET  58          3HE       MET  58  -2.255  11.889 -12.257
  438    H    LYS  59           H        LYS  59   2.482  11.115 -11.553
  439    HA   LYS  59           HA       LYS  59   1.953   8.478 -10.742
  440   1HB   LYS  59          2HB       LYS  59   2.310   9.579 -13.159
  441   2HB   LYS  59          1HB       LYS  59   3.917   8.885 -12.986
  442   1HG   LYS  59          2HG       LYS  59   2.983   6.945 -13.788
  443   2HG   LYS  59          1HG       LYS  59   2.273   6.755 -12.186
  444   1HD   LYS  59          2HD       LYS  59   0.274   8.021 -12.960
  445   2HD   LYS  59          1HD       LYS  59   0.988   8.133 -14.570
  446   1HE   LYS  59          2HE       LYS  59   1.028   5.696 -14.754
  447   2HE   LYS  59          1HE       LYS  59   0.403   5.550 -13.111
  448   1HZ   LYS  59          1HZ       LYS  59  -1.315   5.337 -14.866
  449   2HZ   LYS  59          2HZ       LYS  59  -1.015   6.947 -15.315
  450   3HZ   LYS  59          3HZ       LYS  59  -1.625   6.594 -13.769
  451    H    ASP  60           H        ASP  60   5.035  10.240 -10.799
  452    HA   ASP  60           HA       ASP  60   6.776   8.058 -10.263
  453   1HB   ASP  60          2HB       ASP  60   6.920  10.909  -9.218
  454   2HB   ASP  60          1HB       ASP  60   8.243   9.748  -9.169
  455    H    PHE  61           H        PHE  61   4.594   9.933  -8.228
  456    HA   PHE  61           HA       PHE  61   5.379   8.912  -5.703
  457   1HB   PHE  61          2HB       PHE  61   3.580  10.703  -6.263
  458   2HB   PHE  61          1HB       PHE  61   2.490   9.339  -6.494
  459    HD1  PHE  61           1HD      PHE  61   1.144   8.876  -4.650
  460    HD2  PHE  61           2HD      PHE  61   5.151  10.318  -3.978
  461    HE1  PHE  61           1HE      PHE  61   0.801   8.767  -2.205
  462    HE2  PHE  61           2HE      PHE  61   4.787  10.186  -1.539
  463    HZ   PHE  61           HZ       PHE  61   2.610   9.411  -0.649
  464    H    ARG  62           H        ARG  62   3.431   7.584  -8.331
  465    HA   ARG  62           HA       ARG  62   2.477   5.227  -7.093
  466   1HB   ARG  62          2HB       ARG  62   2.237   6.116  -9.588
  467   2HB   ARG  62          1HB       ARG  62   3.638   5.085  -9.872
  468   1HG   ARG  62          2HG       ARG  62   2.218   3.261  -8.581
  469   2HG   ARG  62          1HG       ARG  62   0.875   4.319  -8.980
  470   1HD   ARG  62          2HD       ARG  62   0.854   2.950 -10.831
  471   2HD   ARG  62          1HD       ARG  62   1.916   4.227 -11.418
  472    HE   ARG  62           HE       ARG  62   3.430   2.158 -10.081
  473   1HH1  ARG  62          1HH2      ARG  62   1.730   2.997 -12.962
  474   2HH1  ARG  62          2HH2      ARG  62   2.683   1.972 -13.981
  475   1HH2  ARG  62          1HH1      ARG  62   4.690   0.820 -11.400
  476   2HH2  ARG  62          2HH1      ARG  62   4.358   0.742 -13.098
  477    H    HIS  63           H        HIS  63   5.679   6.174  -8.194
  478    HA   HIS  63           HA       HIS  63   6.985   3.650  -8.083
  479   1HB   HIS  63          2HB       HIS  63   7.971   5.968  -8.725
  480   2HB   HIS  63          1HB       HIS  63   8.227   6.193  -6.995
  481    HD1  HIS  63           1HD      HIS  63   8.926   3.399  -9.518
  482    HD2  HIS  63           2HD      HIS  63  10.716   5.292  -6.266
  483    HE1  HIS  63           1HE      HIS  63  11.206   2.332  -9.232
  484    H    GLY  64           H        GLY  64   5.892   5.875  -5.603
  485   1HA   GLY  64          2HA       GLY  64   7.127   4.485  -3.362
  486   2HA   GLY  64          1HA       GLY  64   5.826   5.671  -3.245
  487    H    PHE  65           H        PHE  65   3.777   4.594  -4.617
  488    HA   PHE  65           HA       PHE  65   2.770   2.482  -2.899
  489   1HB   PHE  65          2HB       PHE  65   1.864   4.100  -5.221
  490   2HB   PHE  65          1HB       PHE  65   1.113   2.522  -5.122
  491    HD1  PHE  65           1HD      PHE  65   1.382   5.845  -3.657
  492    HD2  PHE  65           2HD      PHE  65  -0.220   1.905  -3.134
  493    HE1  PHE  65           1HE      PHE  65  -0.202   6.712  -1.977
  494    HE2  PHE  65           2HE      PHE  65  -1.814   2.771  -1.442
  495    HZ   PHE  65           HZ       PHE  65  -1.812   5.187  -0.875
  496    H    ASP  66           H        ASP  66   4.090   2.633  -6.159
  497    HA   ASP  66           HA       ASP  66   3.443   0.081  -7.078
  498   1HB   ASP  66          2HB       ASP  66   4.567   1.792  -8.469
  499   2HB   ASP  66          1HB       ASP  66   6.046   1.572  -7.534
  500    H    ILE  67           H        ILE  67   6.155   1.131  -5.030
  501    HA   ILE  67           HA       ILE  67   7.469  -1.400  -4.830
  502    HB   ILE  67           HB       ILE  67   7.339   0.926  -2.899
  503   1HG1  ILE  67          2HG1      ILE  67   8.302   1.023  -5.440
  504   2HG1  ILE  67          1HG1      ILE  67   9.014   1.937  -4.123
  505   1HG2  ILE  67          1HG2      ILE  67   9.112  -1.520  -3.006
  506   2HG2  ILE  67          2HG2      ILE  67   8.114  -0.957  -1.665
  507   3HG2  ILE  67          3HG2      ILE  67   9.563  -0.062  -2.122
  508   1HD1  ILE  67          1HD1      ILE  67  10.774   0.344  -3.837
  509   2HD1  ILE  67          2HD1      ILE  67  10.637   0.594  -5.577
  510   3HD1  ILE  67          3HD1      ILE  67   9.950  -0.852  -4.838
  511    H    LEU  68           H        LEU  68   5.481   0.210  -2.304
  512    HA   LEU  68           HA       LEU  68   5.258  -2.068  -0.683
  513   1HB   LEU  68          2HB       LEU  68   3.612  -0.913   0.565
  514   2HB   LEU  68          1HB       LEU  68   4.646   0.335  -0.117
  515    HG   LEU  68           HG       LEU  68   2.815   0.304  -2.058
  516   1HD1  LEU  68          1HD1      LEU  68   1.601  -1.568  -0.584
  517   2HD1  LEU  68          2HD1      LEU  68   0.669  -0.357  -1.460
  518   3HD1  LEU  68          3HD1      LEU  68   0.972  -0.159   0.265
  519   1HD2  LEU  68          1HD2      LEU  68   2.461   1.670   0.647
  520   2HD2  LEU  68          2HD2      LEU  68   1.695   2.192  -0.852
  521   3HD2  LEU  68          3HD2      LEU  68   3.449   2.271  -0.682
  522    H    VAL  69           H        VAL  69   3.036  -1.075  -3.318
  523    HA   VAL  69           HA       VAL  69   1.316  -3.359  -2.956
  524    HB   VAL  69           HB       VAL  69   1.248  -1.062  -4.540
  525   1HG1  VAL  69          1HG1      VAL  69   1.275  -3.408  -6.444
  526   2HG1  VAL  69          2HG1      VAL  69   2.599  -2.251  -6.291
  527   3HG1  VAL  69          3HG1      VAL  69   1.014  -1.711  -6.843
  528   1HG2  VAL  69          1HG2      VAL  69  -0.496  -3.520  -4.729
  529   2HG2  VAL  69          2HG2      VAL  69  -0.943  -1.909  -5.289
  530   3HG2  VAL  69          3HG2      VAL  69  -0.678  -2.205  -3.569
  531    H    GLY  70           H        GLY  70   4.448  -3.011  -4.302
  532   1HA   GLY  70          2HA       GLY  70   4.311  -5.061  -6.279
  533   2HA   GLY  70          1HA       GLY  70   5.796  -4.470  -5.542
  534    H    GLN  71           H        GLN  71   5.767  -5.283  -2.988
  535    HA   GLN  71           HA       GLN  71   6.009  -8.159  -3.279
  536   1HB   GLN  71          2HB       GLN  71   6.501  -8.108  -0.816
  537   2HB   GLN  71          1HB       GLN  71   7.536  -7.058  -1.774
  538   1HG   GLN  71          2HG       GLN  71   6.377  -5.100  -1.101
  539   2HG   GLN  71          1HG       GLN  71   5.003  -6.022  -0.495
  540   1HE2  GLN  71          1HE2      GLN  71   6.647  -8.042   0.900
  541   2HE2  GLN  71          2HE2      GLN  71   7.313  -7.261   2.255
  542    H    ILE  72           H        ILE  72   3.504  -6.038  -2.116
  543    HA   ILE  72           HA       ILE  72   2.049  -7.886  -0.527
  544    HB   ILE  72           HB       ILE  72   1.191  -5.596  -2.298
  545   1HG1  ILE  72          2HG1      ILE  72   2.780  -5.380  -0.183
  546   2HG1  ILE  72          1HG1      ILE  72   1.483  -4.231  -0.435
  547   1HG2  ILE  72          1HG2      ILE  72  -0.764  -6.916  -2.004
  548   2HG2  ILE  72          2HG2      ILE  72  -0.873  -5.620  -0.815
  549   3HG2  ILE  72          3HG2      ILE  72  -0.387  -7.238  -0.312
  550   1HD1  ILE  72          1HD1      ILE  72   1.709  -5.264   1.921
  551   2HD1  ILE  72          2HD1      ILE  72   1.057  -6.732   1.200
  552   3HD1  ILE  72          3HD1      ILE  72   0.103  -5.253   1.192
  553    H    ASP  73           H        ASP  73   1.545  -7.021  -3.974
  554    HA   ASP  73           HA       ASP  73  -0.350  -9.086  -4.540
  555   1HB   ASP  73          2HB       ASP  73   0.429  -7.138  -6.057
  556   2HB   ASP  73          1HB       ASP  73   1.784  -8.155  -6.498
  557    H    ASP  74           H        ASP  74   3.223  -9.061  -4.457
  558    HA   ASP  74           HA       ASP  74   3.452 -11.643  -5.606
  559   1HB   ASP  74          2HB       ASP  74   5.382 -10.122  -5.304
  560   2HB   ASP  74          1HB       ASP  74   5.278 -10.347  -3.555
  561    H    ALA  75           H        ALA  75   2.342 -10.552  -2.545
  562    HA   ALA  75           HA       ALA  75   2.733 -13.062  -1.137
  563   1HB   ALA  75          1HB       ALA  75   1.353 -12.164   0.563
  564   2HB   ALA  75          2HB       ALA  75   0.565 -11.046  -0.547
  565   3HB   ALA  75          3HB       ALA  75   2.241 -10.779  -0.064
  566    H    LEU  76           H        LEU  76   0.372 -11.543  -3.188
  567    HA   LEU  76           HA       LEU  76  -1.807 -13.379  -3.017
  568   1HB   LEU  76          2HB       LEU  76  -1.544 -11.083  -4.254
  569   2HB   LEU  76          1HB       LEU  76  -0.870 -12.027  -5.573
  570    HG   LEU  76           HG       LEU  76  -3.578 -12.597  -4.338
  571   1HD1  LEU  76          1HD1      LEU  76  -4.385 -11.476  -6.520
  572   2HD1  LEU  76          2HD1      LEU  76  -2.777 -10.763  -6.598
  573   3HD1  LEU  76          3HD1      LEU  76  -3.829 -10.418  -5.224
  574   1HD2  LEU  76          1HD2      LEU  76  -2.924 -14.509  -5.542
  575   2HD2  LEU  76          2HD2      LEU  76  -2.084 -13.575  -6.774
  576   3HD2  LEU  76          3HD2      LEU  76  -3.844 -13.606  -6.738
  577    H    LYS  77           H        LYS  77   1.166 -13.272  -4.839
  578    HA   LYS  77           HA       LYS  77   0.816 -15.593  -6.441
  579   1HB   LYS  77          2HB       LYS  77   2.510 -13.578  -6.478
  580   2HB   LYS  77          1HB       LYS  77   3.484 -14.627  -5.461
  581   1HG   LYS  77          2HG       LYS  77   3.237 -16.403  -7.245
  582   2HG   LYS  77          1HG       LYS  77   2.489 -15.173  -8.247
  583   1HD   LYS  77          2HD       LYS  77   4.812 -15.121  -8.844
  584   2HD   LYS  77          1HD       LYS  77   4.547 -13.703  -7.812
  585   1HE   LYS  77          2HE       LYS  77   6.610 -15.315  -7.373
  586   2HE   LYS  77          1HE       LYS  77   5.723 -14.622  -6.022
  587   1HZ   LYS  77          1HZ       LYS  77   4.511 -16.628  -5.746
  588   2HZ   LYS  77          2HZ       LYS  77   6.151 -17.052  -5.861
  589   3HZ   LYS  77          3HZ       LYS  77   5.118 -17.281  -7.190
  590    H    LEU  78           H        LEU  78   2.498 -15.075  -3.384
  591    HA   LEU  78           HA       LEU  78   3.423 -17.724  -3.007
  592   1HB   LEU  78          2HB       LEU  78   3.153 -15.201  -1.552
  593   2HB   LEU  78          1HB       LEU  78   3.075 -16.582  -0.501
  594    HG   LEU  78           HG       LEU  78   5.206 -17.430  -1.555
  595   1HD1  LEU  78          1HD1      LEU  78   5.130 -16.267  -3.667
  596   2HD1  LEU  78          2HD1      LEU  78   6.530 -15.667  -2.780
  597   3HD1  LEU  78          3HD1      LEU  78   5.056 -14.703  -2.858
  598   1HD2  LEU  78          1HD2      LEU  78   5.435 -14.656  -0.374
  599   2HD2  LEU  78          2HD2      LEU  78   6.628 -15.951  -0.292
  600   3HD2  LEU  78          3HD2      LEU  78   5.103 -16.100   0.580
  601    H    ALA  79           H        ALA  79   0.602 -16.093  -1.496
  602    HA   ALA  79           HA       ALA  79  -0.493 -18.198  -0.079
  603   1HB   ALA  79          1HB       ALA  79  -2.591 -17.100  -0.223
  604   2HB   ALA  79          2HB       ALA  79  -2.230 -16.444  -1.821
  605   3HB   ALA  79          3HB       ALA  79  -1.401 -15.810  -0.400
  606    H    ASN  80           H        ASN  80  -0.736 -17.666  -3.601
  607    HA   ASN  80           HA       ASN  80  -2.513 -19.853  -4.146
  608   1HB   ASN  80          2HB       ASN  80  -0.245 -19.060  -5.987
  609   2HB   ASN  80          1HB       ASN  80  -1.854 -19.640  -6.415
  610   1HD2  ASN  80          1HD2      ASN  80  -2.939 -17.699  -4.192
  611   2HD2  ASN  80          2HD2      ASN  80  -2.950 -16.203  -4.979
  612    H    GLU  81           H        GLU  81   0.910 -19.624  -3.476
  613    HA   GLU  81           HA       GLU  81   1.394 -22.466  -4.109
  614   1HB   GLU  81          2HB       GLU  81   3.087 -20.477  -4.283
  615   2HB   GLU  81          1HB       GLU  81   3.271 -20.687  -2.544
  616   1HG   GLU  81          2HG       GLU  81   4.964 -22.060  -3.470
  617   2HG   GLU  81          1HG       GLU  81   3.668 -23.189  -3.079
  618    H    GLY  82           H        GLY  82  -0.241 -20.975  -1.702
  619   1HA   GLY  82          2HA       GLY  82  -1.126 -22.037   0.235
  620   2HA   GLY  82          1HA       GLY  82   0.134 -23.257   0.121
  621    H    LYS  83           H        LYS  83   0.462 -19.681   0.352
  622    HA   LYS  83           HA       LYS  83   2.192 -20.111   2.768
  623   1HB   LYS  83          2HB       LYS  83   1.886 -17.656   1.027
  624   2HB   LYS  83          1HB       LYS  83   3.075 -17.889   2.308
  625   1HG   LYS  83          2HG       LYS  83   2.944 -19.205  -0.389
  626   2HG   LYS  83          1HG       LYS  83   4.286 -18.339   0.337
  627   1HD   LYS  83          2HD       LYS  83   4.401 -20.212   2.061
  628   2HD   LYS  83          1HD       LYS  83   3.300 -21.112   1.014
  629   1HE   LYS  83          2HE       LYS  83   5.606 -21.723   0.488
  630   2HE   LYS  83          1HE       LYS  83   4.905 -20.836  -0.864
  631   1HZ   LYS  83          1HZ       LYS  83   6.596 -19.437  -0.688
  632   2HZ   LYS  83          2HZ       LYS  83   7.144 -20.171   0.742
  633   3HZ   LYS  83          3HZ       LYS  83   5.983 -18.932   0.810
  634    H    VAL  84           H        VAL  84  -0.028 -20.447   3.790
  635    HA   VAL  84           HA       VAL  84  -1.828 -18.270   4.190
  636    HB   VAL  84           HB       VAL  84  -1.238 -20.438   6.214
  637   1HG1  VAL  84          1HG1      VAL  84  -3.818 -19.036   5.454
  638   2HG1  VAL  84          2HG1      VAL  84  -2.800 -18.556   6.812
  639   3HG1  VAL  84          3HG1      VAL  84  -3.571 -20.141   6.806
  640   1HG2  VAL  84          1HG2      VAL  84  -3.027 -21.709   4.942
  641   2HG2  VAL  84          2HG2      VAL  84  -1.483 -21.562   4.100
  642   3HG2  VAL  84          3HG2      VAL  84  -2.838 -20.528   3.648
  643    H    LYS  85           H        LYS  85   1.026 -19.287   6.082
  644    HA   LYS  85           HA       LYS  85   0.626 -17.224   8.075
  645   1HB   LYS  85          2HB       LYS  85   3.072 -17.792   8.666
  646   2HB   LYS  85          1HB       LYS  85   1.857 -19.036   8.903
  647   1HG   LYS  85          2HG       LYS  85   3.232 -20.406   7.697
  648   2HG   LYS  85          1HG       LYS  85   2.723 -19.515   6.279
  649   1HD   LYS  85          2HD       LYS  85   5.058 -19.367   6.154
  650   2HD   LYS  85          1HD       LYS  85   4.631 -17.844   6.929
  651   1HE   LYS  85          2HE       LYS  85   6.407 -18.710   8.245
  652   2HE   LYS  85          1HE       LYS  85   4.949 -19.084   9.163
  653   1HZ   LYS  85          1HZ       LYS  85   6.288 -20.956   7.290
  654   2HZ   LYS  85          2HZ       LYS  85   4.958 -21.302   8.289
  655   3HZ   LYS  85          3HZ       LYS  85   6.478 -20.979   8.974
  656    H    GLU  86           H        GLU  86   3.041 -17.615   5.523
  657    HA   GLU  86           HA       GLU  86   4.274 -15.101   5.808
  658   1HB   GLU  86          2HB       GLU  86   4.446 -17.363   4.112
  659   2HB   GLU  86          1HB       GLU  86   4.211 -15.994   3.022
  660   1HG   GLU  86          2HG       GLU  86   6.315 -16.065   5.210
  661   2HG   GLU  86          1HG       GLU  86   6.625 -16.472   3.524
  662    H    ALA  87           H        ALA  87   1.512 -16.031   3.722
  663    HA   ALA  87           HA       ALA  87   1.243 -13.473   2.482
  664   1HB   ALA  87          1HB       ALA  87  -0.931 -14.191   1.789
  665   2HB   ALA  87          2HB       ALA  87  -1.047 -15.340   3.123
  666   3HB   ALA  87          3HB       ALA  87   0.081 -15.633   1.800
  667    H    GLN  88           H        GLN  88  -0.416 -14.824   5.362
  668    HA   GLN  88           HA       GLN  88  -1.852 -12.411   5.957
  669   1HB   GLN  88          2HB       GLN  88  -1.121 -14.897   7.478
  670   2HB   GLN  88          1HB       GLN  88  -1.618 -13.495   8.425
  671   1HG   GLN  88          2HG       GLN  88  -3.696 -13.333   7.179
  672   2HG   GLN  88          1HG       GLN  88  -3.210 -14.657   6.124
  673   1HE2  GLN  88          1HE2      GLN  88  -4.291 -13.890   9.417
  674   2HE2  GLN  88          2HE2      GLN  88  -4.623 -15.492   9.859
  675    H    ALA  89           H        ALA  89   1.372 -13.583   6.826
  676    HA   ALA  89           HA       ALA  89   2.049 -11.521   8.683
  677   1HB   ALA  89          1HB       ALA  89   3.436 -13.572   8.258
  678   2HB   ALA  89          2HB       ALA  89   4.377 -12.081   8.187
  679   3HB   ALA  89          3HB       ALA  89   3.895 -12.891   6.696
  680    H    ALA  90           H        ALA  90   2.147 -11.712   5.151
  681    HA   ALA  90           HA       ALA  90   3.447  -9.207   4.679
  682   1HB   ALA  90          1HB       ALA  90   1.278 -10.419   2.948
  683   2HB   ALA  90          2HB       ALA  90   2.931 -11.030   2.961
  684   3HB   ALA  90          3HB       ALA  90   2.605  -9.378   2.437
  685    H    ALA  91           H        ALA  91   0.271 -10.096   5.714
  686    HA   ALA  91           HA       ALA  91  -1.158  -7.726   4.984
  687   1HB   ALA  91          1HB       ALA  91  -1.851  -9.197   7.507
  688   2HB   ALA  91          2HB       ALA  91  -1.923 -10.083   5.988
  689   3HB   ALA  91          3HB       ALA  91  -2.905  -8.643   6.208
  690    H    GLU  92           H        GLU  92   0.333  -8.641   8.129
  691    HA   GLU  92           HA       GLU  92  -0.144  -6.112   9.363
  692   1HB   GLU  92          2HB       GLU  92   1.661  -8.441   9.894
  693   2HB   GLU  92          1HB       GLU  92   2.032  -6.930  10.727
  694   1HG   GLU  92          2HG       GLU  92   0.025  -6.931  11.924
  695   2HG   GLU  92          1HG       GLU  92  -0.804  -7.949  10.746
  696    H    GLN  93           H        GLN  93   2.032  -7.000   6.893
  697    HA   GLN  93           HA       GLN  93   4.024  -4.947   7.456
  698   1HB   GLN  93          2HB       GLN  93   5.185  -6.147   5.894
  699   2HB   GLN  93          1HB       GLN  93   3.808  -7.214   5.779
  700   1HG   GLN  93          2HG       GLN  93   4.340  -6.523   3.555
  701   2HG   GLN  93          1HG       GLN  93   2.876  -5.654   3.989
  702   1HE2  GLN  93          1HE2      GLN  93   4.804  -4.017   5.883
  703   2HE2  GLN  93          2HE2      GLN  93   5.471  -2.866   4.823
  704    H    LEU  94           H        LEU  94   1.187  -5.254   5.327
  705    HA   LEU  94           HA       LEU  94   1.460  -2.628   4.193
  706   1HB   LEU  94          2HB       LEU  94  -0.001  -4.583   3.369
  707   2HB   LEU  94          1HB       LEU  94  -1.165  -4.057   4.573
  708    HG   LEU  94           HG       LEU  94  -1.135  -1.771   3.537
  709   1HD1  LEU  94          1HD1      LEU  94   0.875  -3.112   1.765
  710   2HD1  LEU  94          2HD1      LEU  94   0.793  -1.437   2.303
  711   3HD1  LEU  94          3HD1      LEU  94  -0.248  -1.993   0.999
  712   1HD2  LEU  94          1HD2      LEU  94  -2.751  -3.682   2.927
  713   2HD2  LEU  94          2HD2      LEU  94  -1.798  -3.865   1.461
  714   3HD2  LEU  94          3HD2      LEU  94  -2.636  -2.347   1.785
  715    H    LYS  95           H        LYS  95  -0.224  -3.892   7.041
  716    HA   LYS  95           HA       LYS  95  -1.692  -1.583   7.776
  717   1HB   LYS  95          2HB       LYS  95  -0.365  -3.722   9.462
  718   2HB   LYS  95          1HB       LYS  95  -1.405  -2.473  10.148
  719   1HG   LYS  95          2HG       LYS  95  -3.307  -3.232   8.917
  720   2HG   LYS  95          1HG       LYS  95  -2.308  -4.237   7.874
  721   1HD   LYS  95          2HD       LYS  95  -2.594  -6.009   9.280
  722   2HD   LYS  95          1HD       LYS  95  -1.835  -5.110  10.588
  723   1HE   LYS  95          2HE       LYS  95  -4.101  -4.010  10.982
  724   2HE   LYS  95          1HE       LYS  95  -4.774  -5.200   9.868
  725   1HZ   LYS  95          1HZ       LYS  95  -3.128  -5.968  12.206
  726   2HZ   LYS  95          2HZ       LYS  95  -4.136  -6.957  11.262
  727   3HZ   LYS  95          3HZ       LYS  95  -4.813  -5.797  12.302
  728    H    THR  96           H        THR  96   1.333  -2.579   9.372
  729    HA   THR  96           HA       THR  96   1.836   0.020  10.433
  730    HB   THR  96           HB       THR  96   4.101  -1.903   9.947
  731    HG1  THR  96           1HG      THR  96   2.907  -2.687  12.113
  732   1HG2  THR  96          1HG2      THR  96   3.275  -0.643  12.553
  733   2HG2  THR  96          2HG2      THR  96   4.111   0.322  11.337
  734   3HG2  THR  96          3HG2      THR  96   4.886  -1.111  12.010
  735    H    THR  97           H        THR  97   2.565  -1.360   7.275
  736    HA   THR  97           HA       THR  97   4.772   0.162   6.473
  737    HB   THR  97           HB       THR  97   2.304  -0.659   4.958
  738    HG1  THR  97           1HG      THR  97   4.763  -1.612   5.466
  739   1HG2  THR  97          1HG2      THR  97   3.765   0.056   2.897
  740   2HG2  THR  97          2HG2      THR  97   4.493   1.180   4.042
  741   3HG2  THR  97          3HG2      THR  97   2.763   1.261   3.707
  742    H    ILE  98           H        ILE  98   1.366   1.147   6.047
  743    HA   ILE  98           HA       ILE  98   1.860   3.842   5.379
  744    HB   ILE  98           HB       ILE  98  -0.435   2.342   6.615
  745   1HG1  ILE  98          2HG1      ILE  98  -1.252   3.687   4.252
  746   2HG1  ILE  98          1HG1      ILE  98   0.378   3.120   3.902
  747   1HG2  ILE  98          1HG2      ILE  98  -0.371   5.321   6.186
  748   2HG2  ILE  98          2HG2      ILE  98  -0.699   4.456   7.681
  749   3HG2  ILE  98          3HG2      ILE  98  -1.850   4.390   6.354
  750   1HD1  ILE  98          1HD1      ILE  98  -0.269   0.838   4.584
  751   2HD1  ILE  98          2HD1      ILE  98  -1.297   1.433   3.279
  752   3HD1  ILE  98          3HD1      ILE  98  -1.901   1.405   4.936
  753    H    ARG  99           H        ARG  99   0.952   2.584   8.635
  754    HA   ARG  99           HA       ARG  99   1.323   5.049   9.948
  755   1HB   ARG  99          2HB       ARG  99   0.404   2.654  10.683
  756   2HB   ARG  99          1HB       ARG  99   2.028   2.478  11.336
  757   1HG   ARG  99          2HG       ARG  99   0.245   4.857  11.938
  758   2HG   ARG  99          1HG       ARG  99   0.315   3.414  12.921
  759   1HD   ARG  99          2HD       ARG  99   2.584   5.329  12.356
  760   2HD   ARG  99          1HD       ARG  99   1.819   5.017  13.911
  761    HE   ARG  99           HE       ARG  99   2.785   2.537  13.145
  762   1HH1  ARG  99          1HH2      ARG  99   4.052   5.726  13.471
  763   2HH1  ARG  99          2HH2      ARG  99   5.644   5.193  13.900
  764   1HH2  ARG  99          1HH1      ARG  99   4.859   1.823  13.700
  765   2HH2  ARG  99          2HH1      ARG  99   6.100   2.986  14.028
  766    H    ALA 100           H        ALA 100   3.702   2.361   9.612
  767    HA   ALA 100           HA       ALA 100   5.828   3.723  10.964
  768   1HB   ALA 100          1HB       ALA 100   7.323   2.147   9.645
  769   2HB   ALA 100          2HB       ALA 100   5.867   1.560   8.844
  770   3HB   ALA 100          3HB       ALA 100   6.057   1.361  10.586
  771    H    TYR 101           H        TYR 101   4.620   3.895   7.722
  772    HA   TYR 101           HA       TYR 101   6.853   5.350   6.562
  773   1HB   TYR 101          2HB       TYR 101   4.002   4.767   5.767
  774   2HB   TYR 101          1HB       TYR 101   4.907   5.973   4.870
  775    HD1  TYR 101           1HD      TYR 101   6.638   3.058   6.325
  776    HD2  TYR 101           2HD      TYR 101   4.734   4.628   2.791
  777    HE1  TYR 101           1HE      TYR 101   7.677   1.273   4.970
  778    HE2  TYR 101           2HE      TYR 101   5.786   2.835   1.449
  779    HH   TYR 101           HH       TYR 101   7.048   1.017   1.469
  780    H    ASN 102           H        ASN 102   4.544   6.014   8.842
  781    HA   ASN 102           HA       ASN 102   4.206   8.052  10.047
  782   1HB   ASN 102          2HB       ASN 102   6.168   9.113   8.703
  783   2HB   ASN 102          1HB       ASN 102   4.934   9.620   7.548
  784   1HD2  ASN 102          1HD2      ASN 102   3.158  11.014   8.369
  785   2HD2  ASN 102          2HD2      ASN 102   3.443  12.008   9.722
  786    H    GLN 103           H        GLN 103   2.182   6.694   9.355
  787    HA   GLN 103           HA       GLN 103   0.103   6.555   8.354
  788   1HB   GLN 103          2HB       GLN 103   0.604   9.382   9.104
  789   2HB   GLN 103          1HB       GLN 103  -0.781   9.099   8.046
  790   1HG   GLN 103          2HG       GLN 103  -0.299   7.582  10.628
  791   2HG   GLN 103          1HG       GLN 103  -1.315   9.028  10.533
  792   1HE2  GLN 103          1HE2      GLN 103  -1.496   7.346   7.610
  793   2HE2  GLN 103          2HE2      GLN 103  -2.897   6.448   7.906
  794    H    LYS 104           H        LYS 104   1.844   5.995   6.634
  795    HA   LYS 104           HA       LYS 104   2.468   5.870   4.441
  796   1HB   LYS 104          2HB       LYS 104   0.231   5.470   3.972
  797   2HB   LYS 104          1HB       LYS 104  -0.255   7.098   4.365
  798   1HG   LYS 104          2HG       LYS 104  -0.235   6.507   1.895
  799   2HG   LYS 104          1HG       LYS 104   0.689   7.956   2.316
  800   1HD   LYS 104          2HD       LYS 104   2.772   6.813   2.061
  801   2HD   LYS 104          1HD       LYS 104   2.014   5.223   2.250
  802   1HE   LYS 104          2HE       LYS 104   0.968   5.400   0.077
  803   2HE   LYS 104          1HE       LYS 104   1.514   7.068  -0.107
  804   1HZ   LYS 104          1HZ       LYS 104   3.708   5.404   0.492
  805   2HZ   LYS 104          2HZ       LYS 104   3.437   6.350  -0.892
  806   3HZ   LYS 104          3HZ       LYS 104   2.863   4.752  -0.825
  807    H    TYR 105           H        TYR 105   0.935   9.089   4.115
  808    HA   TYR 105           HA       TYR 105   3.630  10.307   4.188
  809   1HB   TYR 105          2HB       TYR 105   2.321   9.662   1.703
  810   2HB   TYR 105          1HB       TYR 105   2.339  11.416   1.858
  811    HD1  TYR 105           1HD      TYR 105   4.540   8.404   2.076
  812    HD2  TYR 105           2HD      TYR 105   4.310  12.643   1.440
  813    HE1  TYR 105           1HE      TYR 105   6.938   8.440   1.465
  814    HE2  TYR 105           2HE      TYR 105   6.711  12.681   0.820
  815    HH   TYR 105           HH       TYR 105   8.584  11.499   0.649
  816    H    GLY 106           H        GLY 106   0.685  10.359   5.342
  817   1HA   GLY 106          2HA       GLY 106  -0.352  12.052   6.617
  818   2HA   GLY 106          1HA       GLY 106   0.796  13.221   5.967
  Start of MODEL    4
    1    HA   ALA   1           HA       ALA   1 -14.506   9.370   5.786
    2   1HB   ALA   1          1HB       ALA   1 -16.712   9.577   4.834
    3   2HB   ALA   1          2HB       ALA   1 -15.551   9.680   3.510
    4   3HB   ALA   1          3HB       ALA   1 -16.313  11.143   4.132
    5    H    ASP   2           H        ASP   2 -12.946  11.737   6.414
    6    HA   ASP   2           HA       ASP   2 -11.879  12.801   3.921
    7   1HB   ASP   2          2HB       ASP   2 -10.481  12.932   6.591
    8   2HB   ASP   2          1HB       ASP   2 -10.451  14.104   5.273
    9    H    LEU   3           H        LEU   3  -9.088  12.693   4.672
   10    HA   LEU   3           HA       LEU   3  -8.114  10.562   3.216
   11   1HB   LEU   3          2HB       LEU   3  -7.049  12.346   5.320
   12   2HB   LEU   3          1HB       LEU   3  -6.169  10.830   5.201
   13    HG   LEU   3           HG       LEU   3  -5.313  12.782   3.794
   14   1HD1  LEU   3          1HD1      LEU   3  -4.550  10.521   3.408
   15   2HD1  LEU   3          2HD1      LEU   3  -4.816  11.304   1.853
   16   3HD1  LEU   3          3HD1      LEU   3  -5.992  10.145   2.467
   17   1HD2  LEU   3          1HD2      LEU   3  -7.301  12.095   1.671
   18   2HD2  LEU   3          2HD2      LEU   3  -6.495  13.620   2.021
   19   3HD2  LEU   3          3HD2      LEU   3  -7.881  13.125   2.985
   20    H    GLU   4           H        GLU   4  -9.360  10.423   6.485
   21    HA   GLU   4           HA       GLU   4  -8.166   7.956   7.269
   22   1HB   GLU   4          2HB       GLU   4  -9.902   7.829   8.951
   23   2HB   GLU   4          1HB       GLU   4  -9.419   9.516   8.787
   24   1HG   GLU   4          2HG       GLU   4 -11.349   9.762   7.126
   25   2HG   GLU   4          1HG       GLU   4 -11.897   8.179   7.679
   26    H    ASP   5           H        ASP   5 -10.790   8.616   5.054
   27    HA   ASP   5           HA       ASP   5 -11.907   5.949   5.217
   28   1HB   ASP   5          2HB       ASP   5 -13.274   6.580   3.331
   29   2HB   ASP   5          1HB       ASP   5 -13.159   7.983   4.391
   30    H    ASN   6           H        ASN   6  -9.456   7.447   3.091
   31    HA   ASN   6           HA       ASN   6  -9.304   5.370   1.177
   32   1HB   ASN   6          2HB       ASN   6  -7.794   6.988   0.526
   33   2HB   ASN   6          1HB       ASN   6  -7.513   7.507   2.184
   34   1HD2  ASN   6          1HD2      ASN   6  -6.106   5.871   3.493
   35   2HD2  ASN   6          2HD2      ASN   6  -4.811   5.165   2.671
   36    H    TRP   7           H        TRP   7  -8.009   5.676   4.427
   37    HA   TRP   7           HA       TRP   7  -6.571   3.211   4.537
   38   1HB   TRP   7          2HB       TRP   7  -7.608   5.232   6.448
   39   2HB   TRP   7          1HB       TRP   7  -7.474   3.621   7.137
   40    HD1  TRP   7           HD       TRP   7  -5.359   6.064   5.073
   41    HE1  TRP   7           1HE      TRP   7  -2.893   5.850   5.781
   42    HE3  TRP   7           3HE      TRP   7  -5.737   2.265   8.460
   43    HZ2  TRP   7           2HZ      TRP   7  -1.290   4.297   7.544
   44    HZ3  TRP   7           3HZ      TRP   7  -3.715   1.430   9.634
   45    HH2  TRP   7           HH       TRP   7  -1.489   2.437   9.177
   46    H    GLU   8           H        GLU   8  -9.945   4.049   5.325
   47    HA   GLU   8           HA       GLU   8 -10.822   1.614   6.394
   48   1HB   GLU   8          2HB       GLU   8 -12.150   3.769   6.079
   49   2HB   GLU   8          1HB       GLU   8 -12.438   3.227   4.428
   50   1HG   GLU   8          2HG       GLU   8 -13.501   1.190   5.227
   51   2HG   GLU   8          1HG       GLU   8 -13.117   1.610   6.895
   52    H    THR   9           H        THR   9 -10.692   2.543   2.948
   53    HA   THR   9           HA       THR   9 -11.697   0.137   1.875
   54    HB   THR   9           HB       THR   9  -9.371   1.538   0.543
   55    HG1  THR   9           1HG      THR   9 -11.733   2.671   1.428
   56   1HG2  THR   9          1HG2      THR   9 -10.887  -0.359  -0.443
   57   2HG2  THR   9          2HG2      THR   9 -10.523   1.047  -1.444
   58   3HG2  THR   9          3HG2      THR   9 -12.081   0.925  -0.626
   59    H    LEU  10           H        LEU  10  -8.290   1.038   2.384
   60    HA   LEU  10           HA       LEU  10  -7.230  -1.582   1.905
   61   1HB   LEU  10          2HB       LEU  10  -6.248   0.970   3.171
   62   2HB   LEU  10          1HB       LEU  10  -5.291  -0.488   3.368
   63    HG   LEU  10           HG       LEU  10  -5.746  -0.528   0.632
   64   1HD1  LEU  10          1HD1      LEU  10  -6.819   1.794   0.937
   65   2HD1  LEU  10          2HD1      LEU  10  -5.569   1.644  -0.292
   66   3HD1  LEU  10          3HD1      LEU  10  -5.187   2.372   1.268
   67   1HD2  LEU  10          1HD2      LEU  10  -3.577  -0.821   1.791
   68   2HD2  LEU  10          2HD2      LEU  10  -3.500   0.920   2.061
   69   3HD2  LEU  10          3HD2      LEU  10  -3.440   0.279   0.419
   70    H    ASN  11           H        ASN  11  -8.672  -0.071   4.689
   71    HA   ASN  11           HA       ASN  11  -7.524  -1.716   6.711
   72   1HB   ASN  11          2HB       ASN  11  -8.988   0.363   7.019
   73   2HB   ASN  11          1HB       ASN  11 -10.370  -0.701   6.713
   74   1HD2  ASN  11          1HD2      ASN  11  -8.036  -2.619   8.136
   75   2HD2  ASN  11          2HD2      ASN  11  -8.500  -2.488   9.760
   76    H    ASP  12           H        ASP  12 -10.795  -1.950   5.394
   77    HA   ASP  12           HA       ASP  12 -11.460  -4.485   6.376
   78   1HB   ASP  12          2HB       ASP  12 -12.242  -3.107   3.815
   79   2HB   ASP  12          1HB       ASP  12 -13.031  -4.566   4.410
   80    H    ASN  13           H        ASN  13  -9.248  -3.630   3.843
   81    HA   ASN  13           HA       ASN  13  -9.502  -6.083   2.376
   82   1HB   ASN  13          2HB       ASN  13  -7.421  -3.940   2.544
   83   2HB   ASN  13          1HB       ASN  13  -6.936  -5.476   1.843
   84   1HD2  ASN  13          1HD2      ASN  13  -9.267  -2.794   1.484
   85   2HD2  ASN  13          2HD2      ASN  13  -9.612  -3.104  -0.149
   86    H    LEU  14           H        LEU  14  -7.005  -5.139   4.792
   87    HA   LEU  14           HA       LEU  14  -5.844  -7.706   5.063
   88   1HB   LEU  14          2HB       LEU  14  -6.195  -5.469   7.065
   89   2HB   LEU  14          1HB       LEU  14  -5.309  -6.943   7.450
   90    HG   LEU  14           HG       LEU  14  -3.823  -5.069   6.717
   91   1HD1  LEU  14          1HD1      LEU  14  -3.720  -7.155   4.547
   92   2HD1  LEU  14          2HD1      LEU  14  -3.388  -7.584   6.227
   93   3HD1  LEU  14          3HD1      LEU  14  -2.397  -6.383   5.408
   94   1HD2  LEU  14          1HD2      LEU  14  -3.900  -4.169   4.520
   95   2HD2  LEU  14          2HD2      LEU  14  -5.558  -4.158   5.097
   96   3HD2  LEU  14          3HD2      LEU  14  -5.032  -5.402   3.963
   97    H    LYS  15           H        LYS  15  -8.723  -6.323   6.465
   98    HA   LYS  15           HA       LYS  15  -9.251  -8.217   8.494
   99   1HB   LYS  15          2HB       LYS  15 -10.433  -6.031   8.067
  100   2HB   LYS  15          1HB       LYS  15 -11.289  -6.814   6.744
  101   1HG   LYS  15          2HG       LYS  15 -12.102  -8.537   8.395
  102   2HG   LYS  15          1HG       LYS  15 -11.393  -7.558   9.676
  103   1HD   LYS  15          2HD       LYS  15 -13.336  -6.355   9.734
  104   2HD   LYS  15          1HD       LYS  15 -12.917  -5.712   8.148
  105   1HE   LYS  15          2HE       LYS  15 -15.079  -6.636   7.868
  106   2HE   LYS  15          1HE       LYS  15 -13.993  -7.852   7.195
  107   1HZ   LYS  15          1HZ       LYS  15 -14.031  -8.893   9.471
  108   2HZ   LYS  15          2HZ       LYS  15 -15.477  -9.000   8.586
  109   3HZ   LYS  15          3HZ       LYS  15 -15.327  -7.862   9.838
  110    H    VAL  16           H        VAL  16 -10.400  -8.267   5.081
  111    HA   VAL  16           HA       VAL  16 -11.767 -10.745   5.431
  112    HB   VAL  16           HB       VAL  16 -10.925  -9.036   3.115
  113   1HG1  VAL  16          1HG1      VAL  16 -12.060 -10.708   1.597
  114   2HG1  VAL  16          2HG1      VAL  16 -11.961 -11.870   2.918
  115   3HG1  VAL  16          3HG1      VAL  16 -10.487 -11.220   2.204
  116   1HG2  VAL  16          1HG2      VAL  16 -13.296  -8.871   2.770
  117   2HG2  VAL  16          2HG2      VAL  16 -13.011  -8.690   4.502
  118   3HG2  VAL  16          3HG2      VAL  16 -13.604 -10.223   3.865
  119    H    ILE  17           H        ILE  17  -8.542 -10.137   3.863
  120    HA   ILE  17           HA       ILE  17  -7.993 -12.841   3.310
  121    HB   ILE  17           HB       ILE  17  -5.576 -11.551   4.392
  122   1HG1  ILE  17          2HG1      ILE  17  -7.255  -9.992   2.402
  123   2HG1  ILE  17          1HG1      ILE  17  -6.792  -9.481   4.018
  124   1HG2  ILE  17          1HG2      ILE  17  -4.697 -12.010   2.232
  125   2HG2  ILE  17          2HG2      ILE  17  -6.303 -12.053   1.502
  126   3HG2  ILE  17          3HG2      ILE  17  -5.792 -13.346   2.588
  127   1HD1  ILE  17          1HD1      ILE  17  -5.053  -8.459   2.971
  128   2HD1  ILE  17          2HD1      ILE  17  -5.228  -9.445   1.522
  129   3HD1  ILE  17          3HD1      ILE  17  -4.334 -10.067   2.910
  130    H    GLU  18           H        GLU  18  -7.494 -11.042   6.314
  131    HA   GLU  18           HA       GLU  18  -6.406 -13.187   7.848
  132   1HB   GLU  18          2HB       GLU  18  -8.147 -10.852   8.715
  133   2HB   GLU  18          1HB       GLU  18  -7.227 -11.877   9.811
  134   1HG   GLU  18          2HG       GLU  18  -5.679 -10.648   7.558
  135   2HG   GLU  18          1HG       GLU  18  -6.249  -9.535   8.798
  136    H    LYS  19           H        LYS  19  -9.642 -12.425   6.775
  137    HA   LYS  19           HA       LYS  19 -10.705 -14.819   8.237
  138   1HB   LYS  19          2HB       LYS  19 -12.056 -12.156   7.685
  139   2HB   LYS  19          1HB       LYS  19 -12.860 -13.557   8.393
  140   1HG   LYS  19          2HG       LYS  19 -11.786 -13.324  10.433
  141   2HG   LYS  19          1HG       LYS  19 -10.317 -12.681   9.711
  142   1HD   LYS  19          2HD       LYS  19 -11.601 -11.024  11.100
  143   2HD   LYS  19          1HD       LYS  19 -11.297 -10.491   9.445
  144   1HE   LYS  19          2HE       LYS  19 -13.539 -10.541   8.907
  145   2HE   LYS  19          1HE       LYS  19 -13.845 -11.994   9.860
  146   1HZ   LYS  19          1HZ       LYS  19 -14.439  -9.404  10.566
  147   2HZ   LYS  19          2HZ       LYS  19 -13.108  -9.825  11.533
  148   3HZ   LYS  19          3HZ       LYS  19 -14.516 -10.776  11.560
  149    H    ALA  20           H        ALA  20  -9.603 -14.789   5.582
  150    HA   ALA  20           HA       ALA  20 -11.571 -14.500   3.534
  151   1HB   ALA  20          1HB       ALA  20  -9.450 -16.573   3.188
  152   2HB   ALA  20          2HB       ALA  20  -8.914 -14.939   3.555
  153   3HB   ALA  20          3HB       ALA  20  -9.901 -15.234   2.124
  154    H    ASP  21           H        ASP  21 -10.788 -17.227   5.626
  155    HA   ASP  21           HA       ASP  21 -12.031 -19.174   6.073
  156   1HB   ASP  21          2HB       ASP  21 -14.105 -18.411   4.021
  157   2HB   ASP  21          1HB       ASP  21 -14.311 -19.242   5.564
  158    H    ASN  22           H        ASN  22 -11.650 -18.116   2.722
  159    HA   ASN  22           HA       ASN  22 -10.573 -20.781   2.034
  160   1HB   ASN  22          2HB       ASN  22 -12.792 -19.636   0.326
  161   2HB   ASN  22          1HB       ASN  22 -12.065 -21.241   0.233
  162   1HD2  ASN  22          1HD2      ASN  22 -14.356 -19.243   2.000
  163   2HD2  ASN  22          2HD2      ASN  22 -15.005 -20.494   2.948
  164    H    ALA  23           H        ALA  23  -9.335 -20.741   0.062
  165    HA   ALA  23           HA       ALA  23  -7.833 -18.406  -0.411
  166   1HB   ALA  23          1HB       ALA  23  -8.383 -20.526  -2.501
  167   2HB   ALA  23          2HB       ALA  23  -7.293 -20.790  -1.141
  168   3HB   ALA  23          3HB       ALA  23  -6.934 -19.534  -2.326
  169    H    ALA  24           H        ALA  24 -11.005 -19.225  -1.493
  170    HA   ALA  24           HA       ALA  24 -11.103 -17.647  -3.888
  171   1HB   ALA  24          1HB       ALA  24 -12.837 -19.305  -3.324
  172   2HB   ALA  24          2HB       ALA  24 -13.558 -17.714  -3.558
  173   3HB   ALA  24          3HB       ALA  24 -13.318 -18.339  -1.928
  174    H    GLN  25           H        GLN  25 -12.210 -16.856  -0.558
  175    HA   GLN  25           HA       GLN  25 -12.736 -14.103  -1.239
  176   1HB   GLN  25          2HB       GLN  25 -12.342 -15.515   1.388
  177   2HB   GLN  25          1HB       GLN  25 -12.723 -13.803   1.273
  178   1HG   GLN  25          2HG       GLN  25 -14.942 -14.262   0.962
  179   2HG   GLN  25          1HG       GLN  25 -14.574 -15.296  -0.414
  180   1HE2  GLN  25          1HE2      GLN  25 -14.597 -17.580  -0.090
  181   2HE2  GLN  25          2HE2      GLN  25 -15.009 -18.298   1.392
  182    H    VAL  26           H        VAL  26  -9.805 -15.788  -0.604
  183    HA   VAL  26           HA       VAL  26  -8.314 -13.656   0.615
  184    HB   VAL  26           HB       VAL  26  -7.519 -16.076  -1.019
  185   1HG1  VAL  26          1HG1      VAL  26  -5.197 -15.600  -0.127
  186   2HG1  VAL  26          2HG1      VAL  26  -5.783 -13.999   0.315
  187   3HG1  VAL  26          3HG1      VAL  26  -5.755 -14.490  -1.375
  188   1HG2  VAL  26          1HG2      VAL  26  -8.358 -16.667   1.145
  189   2HG2  VAL  26          2HG2      VAL  26  -7.410 -15.395   1.914
  190   3HG2  VAL  26          3HG2      VAL  26  -6.603 -16.794   1.216
  191    H    LYS  27           H        LYS  27  -8.126 -14.917  -2.708
  192    HA   LYS  27           HA       LYS  27  -6.691 -12.751  -3.805
  193   1HB   LYS  27          2HB       LYS  27  -7.959 -13.526  -6.007
  194   2HB   LYS  27          1HB       LYS  27  -6.742 -14.553  -5.262
  195   1HG   LYS  27          2HG       LYS  27  -8.271 -16.208  -4.918
  196   2HG   LYS  27          1HG       LYS  27  -9.316 -15.123  -4.027
  197   1HD   LYS  27          2HD       LYS  27 -10.600 -15.913  -5.856
  198   2HD   LYS  27          1HD       LYS  27 -10.154 -14.258  -6.251
  199   1HE   LYS  27          2HE       LYS  27  -9.609 -15.336  -8.246
  200   2HE   LYS  27          1HE       LYS  27  -8.065 -15.449  -7.401
  201   1HZ   LYS  27          1HZ       LYS  27 -10.175 -17.536  -7.322
  202   2HZ   LYS  27          2HZ       LYS  27  -8.607 -17.645  -6.677
  203   3HZ   LYS  27          3HZ       LYS  27  -8.833 -17.574  -8.360
  204    H    ASP  28           H        ASP  28 -10.085 -13.006  -3.005
  205    HA   ASP  28           HA       ASP  28 -11.069 -10.882  -4.651
  206   1HB   ASP  28          2HB       ASP  28 -12.217 -12.591  -2.895
  207   2HB   ASP  28          1HB       ASP  28 -12.165 -11.171  -1.876
  208    H    ALA  29           H        ALA  29 -10.192 -10.756  -1.199
  209    HA   ALA  29           HA       ALA  29 -10.265  -7.989  -0.861
  210   1HB   ALA  29          1HB       ALA  29  -8.394  -8.387   0.859
  211   2HB   ALA  29          2HB       ALA  29  -8.468 -10.079   0.363
  212   3HB   ALA  29          3HB       ALA  29  -9.884  -9.303   1.062
  213    H    LEU  30           H        LEU  30  -7.408  -9.883  -1.943
  214    HA   LEU  30           HA       LEU  30  -5.695  -7.658  -2.204
  215   1HB   LEU  30          2HB       LEU  30  -5.785 -10.311  -3.626
  216   2HB   LEU  30          1HB       LEU  30  -4.512  -9.123  -3.975
  217    HG   LEU  30           HG       LEU  30  -5.097  -9.877  -1.099
  218   1HD1  LEU  30          1HD1      LEU  30  -4.746 -11.998  -2.467
  219   2HD1  LEU  30          2HD1      LEU  30  -3.600 -11.731  -1.157
  220   3HD1  LEU  30          3HD1      LEU  30  -3.132 -11.388  -2.817
  221   1HD2  LEU  30          1HD2      LEU  30  -2.637  -9.407  -0.915
  222   2HD2  LEU  30          2HD2      LEU  30  -3.563  -8.017  -1.473
  223   3HD2  LEU  30          3HD2      LEU  30  -2.628  -8.972  -2.621
  224    H    THR  31           H        THR  31  -8.124  -8.927  -4.453
  225    HA   THR  31           HA       THR  31  -7.381  -7.248  -6.650
  226    HB   THR  31           HB       THR  31 -10.034  -8.488  -5.877
  227    HG1  THR  31           1HG      THR  31  -9.277 -10.159  -6.876
  228   1HG2  THR  31          1HG2      THR  31 -10.551  -8.082  -8.324
  229   2HG2  THR  31          2HG2      THR  31  -9.156  -7.004  -8.350
  230   3HG2  THR  31          3HG2      THR  31 -10.530  -6.643  -7.307
  231    H    LYS  32           H        LYS  32  -9.276  -6.733  -3.721
  232    HA   LYS  32           HA       LYS  32 -10.344  -4.169  -4.624
  233   1HB   LYS  32          2HB       LYS  32 -10.060  -4.796  -1.693
  234   2HB   LYS  32          1HB       LYS  32 -11.353  -3.949  -2.522
  235   1HG   LYS  32          2HG       LYS  32 -10.831  -6.901  -2.845
  236   2HG   LYS  32          1HG       LYS  32 -11.943  -6.261  -1.663
  237   1HD   LYS  32          2HD       LYS  32 -13.549  -5.783  -3.227
  238   2HD   LYS  32          1HD       LYS  32 -12.379  -5.225  -4.413
  239   1HE   LYS  32          2HE       LYS  32 -12.070  -7.347  -5.316
  240   2HE   LYS  32          1HE       LYS  32 -12.493  -8.178  -3.817
  241   1HZ   LYS  32          1HZ       LYS  32 -14.404  -8.496  -4.962
  242   2HZ   LYS  32          2HZ       LYS  32 -14.222  -7.097  -5.909
  243   3HZ   LYS  32          3HZ       LYS  32 -14.782  -6.977  -4.309
  244    H    MET  33           H        MET  33  -7.544  -5.314  -2.785
  245    HA   MET  33           HA       MET  33  -6.512  -2.791  -1.954
  246   1HB   MET  33          2HB       MET  33  -5.349  -5.466  -2.599
  247   2HB   MET  33          1HB       MET  33  -4.223  -4.126  -2.492
  248   1HG   MET  33          2HG       MET  33  -5.235  -3.611  -0.205
  249   2HG   MET  33          1HG       MET  33  -6.052  -5.166  -0.310
  250   1HE   MET  33          1HE       MET  33  -5.184  -7.282   0.144
  251   2HE   MET  33          2HE       MET  33  -4.854  -6.512   1.694
  252   3HE   MET  33          3HE       MET  33  -3.651  -7.577   0.974
  253    H    ARG  34           H        ARG  34  -6.166  -4.619  -4.998
  254    HA   ARG  34           HA       ARG  34  -4.421  -2.971  -6.421
  255   1HB   ARG  34          2HB       ARG  34  -6.509  -4.894  -7.016
  256   2HB   ARG  34          1HB       ARG  34  -6.565  -3.616  -8.214
  257   1HG   ARG  34          2HG       ARG  34  -5.062  -5.123  -9.179
  258   2HG   ARG  34          1HG       ARG  34  -3.958  -4.025  -8.362
  259   1HD   ARG  34          2HD       ARG  34  -4.948  -6.689  -7.299
  260   2HD   ARG  34          1HD       ARG  34  -3.330  -6.352  -7.908
  261    HE   ARG  34           HE       ARG  34  -4.328  -5.681  -5.262
  262   1HH1  ARG  34          1HH2      ARG  34  -2.233  -4.759  -7.839
  263   2HH1  ARG  34          2HH2      ARG  34  -1.101  -3.957  -6.805
  264   1HH2  ARG  34          1HH1      ARG  34  -2.876  -4.632  -3.901
  265   2HH2  ARG  34          2HH1      ARG  34  -1.464  -3.884  -4.570
  266    H    ALA  35           H        ALA  35  -7.937  -2.582  -6.095
  267    HA   ALA  35           HA       ALA  35  -8.032  -0.100  -7.547
  268   1HB   ALA  35          1HB       ALA  35  -9.929  -0.980  -5.359
  269   2HB   ALA  35          2HB       ALA  35  -9.990  -1.610  -7.006
  270   3HB   ALA  35          3HB       ALA  35 -10.276   0.106  -6.704
  271    H    ALA  36           H        ALA  36  -8.010  -0.796  -4.049
  272    HA   ALA  36           HA       ALA  36  -7.810   1.966  -3.263
  273   1HB   ALA  36          1HB       ALA  36  -8.424  -0.252  -1.915
  274   2HB   ALA  36          2HB       ALA  36  -7.741   1.151  -1.096
  275   3HB   ALA  36          3HB       ALA  36  -6.707  -0.213  -1.520
  276    H    ALA  37           H        ALA  37  -5.483  -0.355  -4.415
  277    HA   ALA  37           HA       ALA  37  -3.120   0.692  -3.185
  278   1HB   ALA  37          1HB       ALA  37  -2.020  -0.328  -5.310
  279   2HB   ALA  37          2HB       ALA  37  -3.645  -0.888  -5.691
  280   3HB   ALA  37          3HB       ALA  37  -2.864  -1.405  -4.200
  281    H    LEU  38           H        LEU  38  -3.950   1.132  -6.654
  282    HA   LEU  38           HA       LEU  38  -2.208   3.412  -6.793
  283   1HB   LEU  38          2HB       LEU  38  -4.415   2.749  -8.739
  284   2HB   LEU  38          1HB       LEU  38  -2.998   3.764  -9.021
  285    HG   LEU  38           HG       LEU  38  -2.109   1.160  -8.049
  286   1HD1  LEU  38          1HD1      LEU  38  -4.199   0.263  -8.949
  287   2HD1  LEU  38          2HD1      LEU  38  -2.846  -0.221  -9.973
  288   3HD1  LEU  38          3HD1      LEU  38  -3.915   1.084 -10.484
  289   1HD2  LEU  38          1HD2      LEU  38  -1.835   2.421 -10.798
  290   2HD2  LEU  38          2HD2      LEU  38  -0.801   1.172 -10.106
  291   3HD2  LEU  38          3HD2      LEU  38  -0.800   2.797  -9.421
  292    H    ASP  39           H        ASP  39  -5.675   3.078  -6.207
  293    HA   ASP  39           HA       ASP  39  -6.378   5.815  -6.608
  294   1HB   ASP  39          2HB       ASP  39  -8.057   4.019  -6.186
  295   2HB   ASP  39          1HB       ASP  39  -7.475   3.891  -4.526
  296    H    ALA  40           H        ALA  40  -4.850   4.053  -3.970
  297    HA   ALA  40           HA       ALA  40  -4.797   6.236  -2.102
  298   1HB   ALA  40          1HB       ALA  40  -4.277   3.890  -1.438
  299   2HB   ALA  40          2HB       ALA  40  -2.995   5.009  -0.984
  300   3HB   ALA  40          3HB       ALA  40  -2.798   3.971  -2.391
  301    H    GLN  41           H        GLN  41  -2.780   5.282  -4.864
  302    HA   GLN  41           HA       GLN  41  -0.470   6.794  -4.598
  303   1HB   GLN  41          2HB       GLN  41  -1.427   5.519  -6.725
  304   2HB   GLN  41          1HB       GLN  41  -2.058   7.100  -7.156
  305   1HG   GLN  41          2HG       GLN  41   0.853   6.410  -6.644
  306   2HG   GLN  41          1HG       GLN  41   0.121   6.792  -8.199
  307   1HE2  GLN  41          1HE2      GLN  41  -1.202   9.053  -8.026
  308   2HE2  GLN  41          2HE2      GLN  41  -0.318  10.310  -7.304
  309    H    LYS  42           H        LYS  42  -3.739   7.891  -5.120
  310    HA   LYS  42           HA       LYS  42  -2.943  10.714  -5.376
  311   1HB   LYS  42          2HB       LYS  42  -5.785   9.979  -4.715
  312   2HB   LYS  42          1HB       LYS  42  -5.177  11.206  -5.807
  313   1HG   LYS  42          2HG       LYS  42  -4.666   8.362  -6.606
  314   2HG   LYS  42          1HG       LYS  42  -6.329   8.900  -6.656
  315   1HD   LYS  42          2HD       LYS  42  -5.426   9.312  -8.823
  316   2HD   LYS  42          1HD       LYS  42  -5.558  10.881  -8.041
  317   1HE   LYS  42          2HE       LYS  42  -2.969   9.365  -7.800
  318   2HE   LYS  42          1HE       LYS  42  -3.336  10.202  -9.303
  319   1HZ   LYS  42          1HZ       LYS  42  -2.344  11.305  -6.977
  320   2HZ   LYS  42          2HZ       LYS  42  -3.945  11.860  -7.103
  321   3HZ   LYS  42          3HZ       LYS  42  -2.848  12.125  -8.374
  322    H    ALA  43           H        ALA  43  -5.322   9.345  -3.103
  323    HA   ALA  43           HA       ALA  43  -4.294  11.106  -0.970
  324   1HB   ALA  43          1HB       ALA  43  -6.280  10.578   0.193
  325   2HB   ALA  43          2HB       ALA  43  -6.488   9.051  -0.662
  326   3HB   ALA  43          3HB       ALA  43  -6.789  10.576  -1.492
  327    H    THR  44           H        THR  44  -2.459  10.322  -0.008
  328    HA   THR  44           HA       THR  44  -2.243   7.393   0.550
  329    HB   THR  44           HB       THR  44   0.209   7.946   0.709
  330    HG1  THR  44           1HG      THR  44  -0.895  10.466   0.302
  331   1HG2  THR  44          1HG2      THR  44  -1.168   8.889  -1.803
  332   2HG2  THR  44          2HG2      THR  44  -0.789   7.206  -1.430
  333   3HG2  THR  44          3HG2      THR  44   0.503   8.373  -1.695
  334    HA   PRO  45           HA       PRO  45  -2.717   7.817   4.911
  335   1HB   PRO  45          2HB       PRO  45   0.179   7.011   5.214
  336   2HB   PRO  45          1HB       PRO  45  -1.247   6.453   6.108
  337   1HG   PRO  45          2HG       PRO  45  -0.208   4.988   4.147
  338   2HG   PRO  45          1HG       PRO  45  -1.962   5.088   4.390
  339   1HD   PRO  45          2HD       PRO  45  -0.295   6.317   2.248
  340   2HD   PRO  45          1HD       PRO  45  -2.000   5.825   2.200
  341    HA   PRO  46           HA       PRO  46   0.142  11.452   5.666
  342   1HB   PRO  46          2HB       PRO  46   2.576  11.605   4.511
  343   2HB   PRO  46          1HB       PRO  46   2.242  10.419   5.791
  344   1HG   PRO  46          2HG       PRO  46   2.697   9.957   2.928
  345   2HG   PRO  46          1HG       PRO  46   2.719   8.795   4.267
  346   1HD   PRO  46          2HD       PRO  46   0.511   9.475   2.429
  347   2HD   PRO  46          1HD       PRO  46   0.687   8.053   3.451
  348    H    LYS  47           H        LYS  47  -0.854  10.714   2.594
  349    HA   LYS  47           HA       LYS  47  -1.507  12.010   0.780
  350   1HB   LYS  47          2HB       LYS  47  -0.680  14.511   2.247
  351   2HB   LYS  47          1HB       LYS  47  -1.935  14.309   1.041
  352   1HG   LYS  47          2HG       LYS  47  -3.505  13.875   2.626
  353   2HG   LYS  47          1HG       LYS  47  -2.543  12.571   3.294
  354   1HD   LYS  47          2HD       LYS  47  -2.642  13.976   5.139
  355   2HD   LYS  47          1HD       LYS  47  -1.168  14.591   4.403
  356   1HE   LYS  47          2HE       LYS  47  -3.945  15.740   3.966
  357   2HE   LYS  47          1HE       LYS  47  -2.722  16.417   5.039
  358   1HZ   LYS  47          1HZ       LYS  47  -1.579  17.264   3.334
  359   2HZ   LYS  47          2HZ       LYS  47  -3.024  17.083   2.460
  360   3HZ   LYS  47          3HZ       LYS  47  -1.809  15.902   2.352
  361    H    LEU  48           H        LEU  48  -0.278  12.304  -1.073
  362    HA   LEU  48           HA       LEU  48   2.592  12.397  -0.820
  363   1HB   LEU  48          2HB       LEU  48   1.491  11.338  -2.756
  364   2HB   LEU  48          1HB       LEU  48   0.782  12.866  -3.229
  365    HG   LEU  48           HG       LEU  48   2.867  12.045  -4.503
  366   1HD1  LEU  48          1HD1      LEU  48   2.044  14.699  -3.811
  367   2HD1  LEU  48          2HD1      LEU  48   2.904  14.162  -5.238
  368   3HD1  LEU  48          3HD1      LEU  48   3.806  14.680  -3.823
  369   1HD2  LEU  48          1HD2      LEU  48   5.008  12.292  -3.546
  370   2HD2  LEU  48          2HD2      LEU  48   4.065  11.490  -2.298
  371   3HD2  LEU  48          3HD2      LEU  48   4.396  13.212  -2.176
  372    H    GLU  49           H        GLU  49   0.336  14.634  -0.156
  373    HA   GLU  49           HA       GLU  49   2.272  16.861  -0.494
  374   1HB   GLU  49          2HB       GLU  49  -0.651  17.022  -1.266
  375   2HB   GLU  49          1HB       GLU  49   0.469  18.380  -1.191
  376   1HG   GLU  49          2HG       GLU  49   1.913  16.846  -2.833
  377   2HG   GLU  49          1HG       GLU  49   0.337  16.131  -3.180
  378    H    ASP  50           H        ASP  50   2.543  16.520   1.786
  379    HA   ASP  50           HA       ASP  50   0.208  17.082   3.546
  380   1HB   ASP  50          2HB       ASP  50   1.854  15.239   4.086
  381   2HB   ASP  50          1HB       ASP  50   3.077  16.487   4.333
  382    H    LYS  51           H        LYS  51   2.502  18.745   1.851
  383    HA   LYS  51           HA       LYS  51   1.982  21.252   3.192
  384   1HB   LYS  51          2HB       LYS  51   4.448  21.690   3.676
  385   2HB   LYS  51          1HB       LYS  51   3.647  20.564   4.766
  386   1HG   LYS  51          2HG       LYS  51   4.661  18.945   2.646
  387   2HG   LYS  51          1HG       LYS  51   5.942  20.096   3.009
  388   1HD   LYS  51          2HD       LYS  51   5.890  19.469   5.376
  389   2HD   LYS  51          1HD       LYS  51   4.543  18.372   5.079
  390   1HE   LYS  51          2HE       LYS  51   5.875  16.841   3.911
  391   2HE   LYS  51          1HE       LYS  51   7.099  18.051   3.519
  392   1HZ   LYS  51          1HZ       LYS  51   7.005  16.310   5.724
  393   2HZ   LYS  51          2HZ       LYS  51   6.920  17.908   6.294
  394   3HZ   LYS  51          3HZ       LYS  51   8.213  17.424   5.305
  395    H    SER  52           H        SER  52   4.877  20.126   1.458
  396    HA   SER  52           HA       SER  52   3.953  20.849  -1.127
  397   1HB   SER  52          2HB       SER  52   5.510  22.890   0.439
  398   2HB   SER  52          1HB       SER  52   5.672  22.816  -1.314
  399    HG   SER  52           HG       SER  52   3.892  24.144  -0.163
  400    HA   PRO  53           HA       PRO  53   7.890  18.243  -0.471
  401   1HB   PRO  53          2HB       PRO  53   6.222  16.303  -2.045
  402   2HB   PRO  53          1HB       PRO  53   7.248  16.010  -0.632
  403   1HG   PRO  53          2HG       PRO  53   4.617  16.015  -0.397
  404   2HG   PRO  53          1HG       PRO  53   5.630  16.761   0.855
  405   1HD   PRO  53          2HD       PRO  53   4.069  18.102  -1.349
  406   2HD   PRO  53          1HD       PRO  53   4.223  18.552   0.360
  407    H    ASP  54           H        ASP  54   5.985  17.507  -3.372
  408    HA   ASP  54           HA       ASP  54   7.851  19.087  -5.055
  409   1HB   ASP  54          2HB       ASP  54   7.196  16.198  -5.720
  410   2HB   ASP  54          1HB       ASP  54   8.403  17.242  -6.471
  411    H    SER  55           H        SER  55   5.527  16.588  -5.972
  412    HA   SER  55           HA       SER  55   3.242  16.869  -6.539
  413   1HB   SER  55          2HB       SER  55   2.179  18.846  -7.066
  414   2HB   SER  55          1HB       SER  55   3.418  19.446  -5.984
  415    HG   SER  55           HG       SER  55   3.264  19.526  -8.804
  416    HA   PRO  56           HA       PRO  56   4.687  17.145 -11.120
  417   1HB   PRO  56          2HB       PRO  56   7.655  17.245 -10.894
  418   2HB   PRO  56          1HB       PRO  56   6.585  18.163 -11.974
  419   1HG   PRO  56          2HG       PRO  56   7.846  19.320  -9.914
  420   2HG   PRO  56          1HG       PRO  56   6.219  19.818 -10.419
  421   1HD   PRO  56          2HD       PRO  56   7.021  18.074  -8.107
  422   2HD   PRO  56          1HD       PRO  56   5.798  19.342  -8.199
  423    H    GLU  57           H        GLU  57   6.860  15.829  -8.651
  424    HA   GLU  57           HA       GLU  57   7.531  13.385  -9.976
  425   1HB   GLU  57          2HB       GLU  57   7.563  14.349  -7.129
  426   2HB   GLU  57          1HB       GLU  57   7.745  12.620  -7.419
  427   1HG   GLU  57          2HG       GLU  57   9.936  13.815  -7.317
  428   2HG   GLU  57          1HG       GLU  57   9.663  13.020  -8.869
  429    H    MET  58           H        MET  58   5.058  14.077  -7.500
  430    HA   MET  58           HA       MET  58   3.410  12.476  -6.726
  431   1HB   MET  58          2HB       MET  58   2.325  14.319  -7.761
  432   2HB   MET  58          1HB       MET  58   2.682  13.713  -9.368
  433   1HG   MET  58          2HG       MET  58   1.165  11.765  -8.946
  434   2HG   MET  58          1HG       MET  58   0.828  12.411  -7.342
  435   1HE   MET  58          1HE       MET  58   0.744  13.010 -11.141
  436   2HE   MET  58          2HE       MET  58  -0.915  13.571 -11.342
  437   3HE   MET  58          3HE       MET  58  -0.608  11.981 -10.648
  438    H    LYS  59           H        LYS  59   3.127  11.802 -10.234
  439    HA   LYS  59           HA       LYS  59   2.477   9.091  -9.844
  440   1HB   LYS  59          2HB       LYS  59   2.640  10.630 -12.066
  441   2HB   LYS  59          1HB       LYS  59   4.131   9.717 -12.265
  442   1HG   LYS  59          2HG       LYS  59   2.692   8.222 -13.307
  443   2HG   LYS  59          1HG       LYS  59   2.476   7.646 -11.654
  444   1HD   LYS  59          2HD       LYS  59   0.496   9.102 -11.413
  445   2HD   LYS  59          1HD       LYS  59   0.715   9.681 -13.064
  446   1HE   LYS  59          2HE       LYS  59   0.415   7.404 -13.926
  447   2HE   LYS  59          1HE       LYS  59   0.252   6.794 -12.281
  448   1HZ   LYS  59          1HZ       LYS  59  -1.907   7.206 -12.473
  449   2HZ   LYS  59          2HZ       LYS  59  -1.697   8.034 -13.941
  450   3HZ   LYS  59          3HZ       LYS  59  -1.543   8.862 -12.467
  451    H    ASP  60           H        ASP  60   5.674  10.618 -10.123
  452    HA   ASP  60           HA       ASP  60   7.262   8.259 -10.140
  453   1HB   ASP  60          2HB       ASP  60   7.748  11.021  -9.923
  454   2HB   ASP  60          1HB       ASP  60   8.306  10.407  -8.372
  455    H    PHE  61           H        PHE  61   5.529  10.012  -7.626
  456    HA   PHE  61           HA       PHE  61   6.453   8.552  -5.357
  457   1HB   PHE  61          2HB       PHE  61   4.752  10.588  -5.556
  458   2HB   PHE  61          1HB       PHE  61   3.539   9.316  -5.595
  459    HD1  PHE  61           1HD      PHE  61   2.553   8.862  -3.532
  460    HD2  PHE  61           2HD      PHE  61   6.703  10.017  -3.653
  461    HE1  PHE  61           1HE      PHE  61   2.690   8.721  -1.054
  462    HE2  PHE  61           2HE      PHE  61   6.822   9.841  -1.191
  463    HZ   PHE  61           HZ       PHE  61   4.814   9.198   0.107
  464    H    ARG  62           H        ARG  62   4.164   7.785  -7.918
  465    HA   ARG  62           HA       ARG  62   3.047   5.390  -6.850
  466   1HB   ARG  62          2HB       ARG  62   2.483   6.583  -9.091
  467   2HB   ARG  62          1HB       ARG  62   3.840   5.673  -9.749
  468   1HG   ARG  62          2HG       ARG  62   2.455   3.679  -8.393
  469   2HG   ARG  62          1HG       ARG  62   1.146   4.723  -8.952
  470   1HD   ARG  62          2HD       ARG  62   1.833   4.494 -11.244
  471   2HD   ARG  62          1HD       ARG  62   3.333   3.690 -10.778
  472    HE   ARG  62           HE       ARG  62   0.958   2.275  -9.853
  473   1HH1  ARG  62          1HH2      ARG  62   3.155   2.885 -12.437
  474   2HH1  ARG  62          2HH2      ARG  62   2.904   1.348 -13.193
  475   1HH2  ARG  62          1HH1      ARG  62   0.625   0.253 -10.821
  476   2HH2  ARG  62          2HH1      ARG  62   1.470  -0.143 -12.280
  477    H    HIS  63           H        HIS  63   6.161   6.120  -8.329
  478    HA   HIS  63           HA       HIS  63   7.084   3.492  -8.781
  479   1HB   HIS  63          2HB       HIS  63   8.241   5.858  -9.146
  480   2HB   HIS  63          1HB       HIS  63   8.939   5.538  -7.561
  481    HD1  HIS  63           1HD      HIS  63   8.693   3.965 -11.019
  482    HD2  HIS  63           2HD      HIS  63  11.074   3.738  -7.601
  483    HE1  HIS  63           1HE      HIS  63  10.637   2.451 -11.602
  484    H    GLY  64           H        GLY  64   6.822   5.378  -5.813
  485   1HA   GLY  64          2HA       GLY  64   8.173   3.434  -4.120
  486   2HA   GLY  64          1HA       GLY  64   7.130   4.741  -3.555
  487    H    PHE  65           H        PHE  65   4.743   4.134  -4.812
  488    HA   PHE  65           HA       PHE  65   3.684   1.956  -3.175
  489   1HB   PHE  65          2HB       PHE  65   2.660   3.901  -5.201
  490   2HB   PHE  65          1HB       PHE  65   1.701   2.459  -4.961
  491    HD1  PHE  65           1HD      PHE  65   2.966   5.551  -3.434
  492    HD2  PHE  65           2HD      PHE  65   0.563   2.050  -2.869
  493    HE1  PHE  65           1HE      PHE  65   1.914   6.589  -1.459
  494    HE2  PHE  65           2HE      PHE  65  -0.506   3.096  -0.885
  495    HZ   PHE  65           HZ       PHE  65   0.160   5.386  -0.193
  496    H    ASP  66           H        ASP  66   4.384   2.453  -6.600
  497    HA   ASP  66           HA       ASP  66   3.280   0.176  -7.705
  498   1HB   ASP  66          2HB       ASP  66   4.486   1.988  -8.960
  499   2HB   ASP  66          1HB       ASP  66   6.010   1.259  -8.448
  500    H    ILE  67           H        ILE  67   6.460   0.489  -6.110
  501    HA   ILE  67           HA       ILE  67   7.282  -2.222  -6.486
  502    HB   ILE  67           HB       ILE  67   7.931  -0.311  -4.224
  503   1HG1  ILE  67          2HG1      ILE  67   8.377   0.256  -6.832
  504   2HG1  ILE  67          1HG1      ILE  67   9.523   0.691  -5.578
  505   1HG2  ILE  67          1HG2      ILE  67  10.062  -1.721  -4.176
  506   2HG2  ILE  67          2HG2      ILE  67   9.202  -2.878  -5.193
  507   3HG2  ILE  67          3HG2      ILE  67   8.598  -2.506  -3.578
  508   1HD1  ILE  67          1HD1      ILE  67  10.924  -1.192  -6.072
  509   2HD1  ILE  67          2HD1      ILE  67  10.507  -0.471  -7.625
  510   3HD1  ILE  67          3HD1      ILE  67   9.682  -1.933  -7.082
  511    H    LEU  68           H        LEU  68   6.071  -0.726  -3.438
  512    HA   LEU  68           HA       LEU  68   5.626  -3.199  -2.149
  513   1HB   LEU  68          2HB       LEU  68   4.594  -2.000  -0.418
  514   2HB   LEU  68          1HB       LEU  68   5.638  -0.801  -1.173
  515    HG   LEU  68           HG       LEU  68   3.433  -0.294  -2.599
  516   1HD1  LEU  68          1HD1      LEU  68   2.212  -2.161  -1.258
  517   2HD1  LEU  68          2HD1      LEU  68   1.386  -0.618  -1.442
  518   3HD1  LEU  68          3HD1      LEU  68   2.210  -1.009   0.070
  519   1HD2  LEU  68          1HD2      LEU  68   4.681   1.323  -1.162
  520   2HD2  LEU  68          2HD2      LEU  68   3.853   0.687   0.255
  521   3HD2  LEU  68          3HD2      LEU  68   2.935   1.527  -0.994
  522    H    VAL  69           H        VAL  69   3.410  -1.335  -4.226
  523    HA   VAL  69           HA       VAL  69   1.147  -3.050  -3.834
  524    HB   VAL  69           HB       VAL  69   1.937  -1.187  -6.091
  525   1HG1  VAL  69          1HG1      VAL  69  -0.484  -1.337  -6.725
  526   2HG1  VAL  69          2HG1      VAL  69  -0.631  -2.705  -5.625
  527   3HG1  VAL  69          3HG1      VAL  69   0.423  -2.813  -7.031
  528   1HG2  VAL  69          1HG2      VAL  69   1.430  -0.270  -3.775
  529   2HG2  VAL  69          2HG2      VAL  69  -0.202  -0.901  -3.967
  530   3HG2  VAL  69          3HG2      VAL  69   0.398   0.344  -5.063
  531    H    GLY  70           H        GLY  70   4.043  -3.395  -5.739
  532   1HA   GLY  70          2HA       GLY  70   2.989  -5.214  -7.712
  533   2HA   GLY  70          1HA       GLY  70   4.692  -4.987  -7.335
  534    H    GLN  71           H        GLN  71   4.834  -5.870  -4.693
  535    HA   GLN  71           HA       GLN  71   4.641  -8.732  -5.150
  536   1HB   GLN  71          2HB       GLN  71   5.332  -8.805  -2.660
  537   2HB   GLN  71          1HB       GLN  71   6.468  -8.097  -3.806
  538   1HG   GLN  71          2HG       GLN  71   5.844  -5.868  -3.191
  539   2HG   GLN  71          1HG       GLN  71   4.457  -6.444  -2.267
  540   1HE2  GLN  71          1HE2      GLN  71   5.903  -8.697  -1.022
  541   2HE2  GLN  71          2HE2      GLN  71   6.971  -8.016   0.110
  542    H    ILE  72           H        ILE  72   2.610  -6.379  -3.530
  543    HA   ILE  72           HA       ILE  72   1.095  -8.157  -1.915
  544    HB   ILE  72           HB       ILE  72   0.318  -5.649  -3.419
  545   1HG1  ILE  72          2HG1      ILE  72   2.212  -5.756  -1.566
  546   2HG1  ILE  72          1HG1      ILE  72   1.039  -4.457  -1.548
  547   1HG2  ILE  72          1HG2      ILE  72  -1.146  -7.241  -1.306
  548   2HG2  ILE  72          2HG2      ILE  72  -1.728  -6.756  -2.901
  549   3HG2  ILE  72          3HG2      ILE  72  -1.502  -5.547  -1.637
  550   1HD1  ILE  72          1HD1      ILE  72  -0.158  -5.372   0.236
  551   2HD1  ILE  72          2HD1      ILE  72   1.519  -5.716   0.663
  552   3HD1  ILE  72          3HD1      ILE  72   0.505  -6.986  -0.015
  553    H    ASP  73           H        ASP  73   0.357  -6.947  -5.202
  554    HA   ASP  73           HA       ASP  73  -1.848  -8.703  -5.674
  555   1HB   ASP  73          2HB       ASP  73  -1.539  -8.163  -8.022
  556   2HB   ASP  73          1HB       ASP  73  -1.187  -6.712  -7.089
  557    H    ASP  74           H        ASP  74   1.668  -9.184  -5.920
  558    HA   ASP  74           HA       ASP  74   1.465 -11.645  -7.392
  559   1HB   ASP  74          2HB       ASP  74   3.593 -10.377  -7.056
  560   2HB   ASP  74          1HB       ASP  74   3.577 -10.846  -5.355
  561    H    ALA  75           H        ALA  75   0.751 -10.795  -4.111
  562    HA   ALA  75           HA       ALA  75   0.888 -13.540  -3.134
  563   1HB   ALA  75          1HB       ALA  75   0.765 -11.208  -1.804
  564   2HB   ALA  75          2HB       ALA  75   0.147 -12.704  -1.106
  565   3HB   ALA  75          3HB       ALA  75  -0.964 -11.556  -1.854
  566    H    LEU  76           H        LEU  76  -1.400 -11.410  -4.690
  567    HA   LEU  76           HA       LEU  76  -3.805 -12.925  -4.448
  568   1HB   LEU  76          2HB       LEU  76  -3.462 -10.584  -5.461
  569   2HB   LEU  76          1HB       LEU  76  -2.880 -11.388  -6.912
  570    HG   LEU  76           HG       LEU  76  -5.562 -12.154  -5.757
  571   1HD1  LEU  76          1HD1      LEU  76  -5.728  -9.745  -5.877
  572   2HD1  LEU  76          2HD1      LEU  76  -6.576 -10.401  -7.276
  573   3HD1  LEU  76          3HD1      LEU  76  -4.960  -9.721  -7.463
  574   1HD2  LEU  76          1HD2      LEU  76  -4.100 -12.970  -8.052
  575   2HD2  LEU  76          2HD2      LEU  76  -5.363 -11.919  -8.673
  576   3HD2  LEU  76          3HD2      LEU  76  -5.784 -13.318  -7.693
  577    H    LYS  77           H        LYS  77  -1.000 -13.097  -6.482
  578    HA   LYS  77           HA       LYS  77  -1.857 -15.077  -8.319
  579   1HB   LYS  77          2HB       LYS  77   0.207 -13.437  -8.221
  580   2HB   LYS  77          1HB       LYS  77   0.996 -14.776  -7.406
  581   1HG   LYS  77          2HG       LYS  77   0.457 -16.237  -9.336
  582   2HG   LYS  77          1HG       LYS  77  -0.287 -14.857 -10.139
  583   1HD   LYS  77          2HD       LYS  77   1.820 -14.563 -11.040
  584   2HD   LYS  77          1HD       LYS  77   2.161 -13.759  -9.497
  585   1HE   LYS  77          2HE       LYS  77   3.910 -15.315  -9.659
  586   2HE   LYS  77          1HE       LYS  77   2.739 -16.194  -8.678
  587   1HZ   LYS  77          1HZ       LYS  77   2.947 -16.422 -11.630
  588   2HZ   LYS  77          2HZ       LYS  77   1.974 -17.359 -10.599
  589   3HZ   LYS  77          3HZ       LYS  77   3.666 -17.504 -10.539
  590    H    LEU  78           H        LEU  78  -0.041 -15.297  -5.302
  591    HA   LEU  78           HA       LEU  78   0.346 -18.105  -5.289
  592   1HB   LEU  78          2HB       LEU  78   0.527 -15.791  -3.479
  593   2HB   LEU  78          1HB       LEU  78   0.292 -17.313  -2.663
  594    HG   LEU  78           HG       LEU  78   2.231 -18.262  -3.909
  595   1HD1  LEU  78          1HD1      LEU  78   2.277 -16.908  -5.881
  596   2HD1  LEU  78          2HD1      LEU  78   3.741 -16.504  -4.984
  597   3HD1  LEU  78          3HD1      LEU  78   2.351 -15.420  -4.938
  598   1HD2  LEU  78          1HD2      LEU  78   2.404 -17.161  -1.644
  599   2HD2  LEU  78          2HD2      LEU  78   2.931 -15.697  -2.471
  600   3HD2  LEU  78          3HD2      LEU  78   3.900 -17.166  -2.574
  601    H    ALA  79           H        ALA  79  -2.047 -16.149  -3.463
  602    HA   ALA  79           HA       ALA  79  -3.531 -18.175  -2.298
  603   1HB   ALA  79          1HB       ALA  79  -3.915 -15.682  -2.110
  604   2HB   ALA  79          2HB       ALA  79  -5.386 -16.650  -2.227
  605   3HB   ALA  79          3HB       ALA  79  -4.790 -15.773  -3.637
  606    H    ASN  80           H        ASN  80  -3.611 -17.167  -5.700
  607    HA   ASN  80           HA       ASN  80  -5.917 -18.763  -6.412
  608   1HB   ASN  80          2HB       ASN  80  -3.574 -18.108  -8.223
  609   2HB   ASN  80          1HB       ASN  80  -5.236 -18.448  -8.698
  610   1HD2  ASN  80          1HD2      ASN  80  -5.743 -16.605  -6.028
  611   2HD2  ASN  80          2HD2      ASN  80  -5.722 -15.063  -6.722
  612    H    GLU  81           H        GLU  81  -2.532 -19.402  -5.887
  613    HA   GLU  81           HA       GLU  81  -2.720 -22.144  -6.978
  614   1HB   GLU  81          2HB       GLU  81  -0.657 -20.707  -7.194
  615   2HB   GLU  81          1HB       GLU  81  -0.441 -20.852  -5.451
  616   1HG   GLU  81          2HG       GLU  81   0.048 -23.142  -5.562
  617   2HG   GLU  81          1HG       GLU  81  -0.753 -23.347  -7.119
  618    H    GLY  82           H        GLY  82  -4.093 -20.941  -4.396
  619   1HA   GLY  82          2HA       GLY  82  -5.008 -22.131  -2.558
  620   2HA   GLY  82          1HA       GLY  82  -3.888 -23.447  -2.887
  621    H    LYS  83           H        LYS  83  -2.925 -20.051  -2.348
  622    HA   LYS  83           HA       LYS  83  -1.335 -20.987   0.009
  623   1HB   LYS  83          2HB       LYS  83  -1.240 -18.419  -1.565
  624   2HB   LYS  83          1HB       LYS  83  -0.122 -18.873  -0.295
  625   1HG   LYS  83          2HG       LYS  83  -0.340 -19.933  -3.079
  626   2HG   LYS  83          1HG       LYS  83   1.100 -19.453  -2.201
  627   1HD   LYS  83          2HD       LYS  83   0.776 -21.505  -0.744
  628   2HD   LYS  83          1HD       LYS  83  -0.499 -22.008  -1.856
  629   1HE   LYS  83          2HE       LYS  83   1.247 -23.093  -2.887
  630   2HE   LYS  83          1HE       LYS  83   1.490 -21.521  -3.646
  631   1HZ   LYS  83          1HZ       LYS  83   3.102 -22.894  -1.711
  632   2HZ   LYS  83          2HZ       LYS  83   2.781 -21.284  -1.273
  633   3HZ   LYS  83          3HZ       LYS  83   3.517 -21.631  -2.765
  634    H    VAL  84           H        VAL  84  -3.632 -20.950   1.041
  635    HA   VAL  84           HA       VAL  84  -4.807 -18.419   1.732
  636    HB   VAL  84           HB       VAL  84  -4.889 -21.007   3.312
  637   1HG1  VAL  84          1HG1      VAL  84  -7.159 -19.974   3.975
  638   2HG1  VAL  84          2HG1      VAL  84  -6.515 -18.459   3.343
  639   3HG1  VAL  84          3HG1      VAL  84  -5.715 -19.259   4.694
  640   1HG2  VAL  84          1HG2      VAL  84  -6.856 -21.563   2.046
  641   2HG2  VAL  84          2HG2      VAL  84  -5.609 -21.135   0.875
  642   3HG2  VAL  84          3HG2      VAL  84  -6.879 -19.978   1.275
  643    H    LYS  85           H        LYS  85  -2.428 -20.477   3.428
  644    HA   LYS  85           HA       LYS  85  -2.220 -18.700   5.694
  645   1HB   LYS  85          2HB       LYS  85   0.085 -20.285   5.706
  646   2HB   LYS  85          1HB       LYS  85  -1.453 -20.703   6.448
  647   1HG   LYS  85          2HG       LYS  85  -2.170 -21.915   4.495
  648   2HG   LYS  85          1HG       LYS  85  -0.775 -21.358   3.576
  649   1HD   LYS  85          2HD       LYS  85  -0.327 -23.618   4.312
  650   2HD   LYS  85          1HD       LYS  85   0.709 -22.526   5.231
  651   1HE   LYS  85          2HE       LYS  85  -0.599 -22.741   7.187
  652   2HE   LYS  85          1HE       LYS  85  -1.985 -23.377   6.299
  653   1HZ   LYS  85          1HZ       LYS  85  -0.442 -25.291   5.706
  654   2HZ   LYS  85          2HZ       LYS  85  -1.022 -25.227   7.302
  655   3HZ   LYS  85          3HZ       LYS  85   0.562 -24.725   6.950
  656    H    GLU  86           H        GLU  86  -0.088 -19.363   2.924
  657    HA   GLU  86           HA       GLU  86   1.924 -17.490   3.583
  658   1HB   GLU  86          2HB       GLU  86   1.257 -19.285   1.455
  659   2HB   GLU  86          1HB       GLU  86   1.601 -17.722   0.704
  660   1HG   GLU  86          2HG       GLU  86   3.730 -17.740   2.217
  661   2HG   GLU  86          1HG       GLU  86   3.408 -19.465   2.369
  662    H    ALA  87           H        ALA  87  -1.035 -17.083   1.625
  663    HA   ALA  87           HA       ALA  87  -0.476 -14.362   0.893
  664   1HB   ALA  87          1HB       ALA  87  -2.233 -15.954  -0.112
  665   2HB   ALA  87          2HB       ALA  87  -2.707 -14.270   0.100
  666   3HB   ALA  87          3HB       ALA  87  -3.253 -15.492   1.250
  667    H    GLN  88           H        GLN  88  -2.315 -15.779   3.611
  668    HA   GLN  88           HA       GLN  88  -3.183 -13.277   4.700
  669   1HB   GLN  88          2HB       GLN  88  -2.878 -16.072   5.751
  670   2HB   GLN  88          1HB       GLN  88  -3.044 -14.780   6.939
  671   1HG   GLN  88          2HG       GLN  88  -5.131 -14.059   5.962
  672   2HG   GLN  88          1HG       GLN  88  -4.945 -15.171   4.612
  673   1HE2  GLN  88          1HE2      GLN  88  -5.960 -14.923   7.952
  674   2HE2  GLN  88          2HE2      GLN  88  -6.438 -16.541   8.127
  675    H    ALA  89           H        ALA  89  -0.240 -15.201   5.190
  676    HA   ALA  89           HA       ALA  89   0.929 -13.523   7.204
  677   1HB   ALA  89          1HB       ALA  89   1.808 -15.772   6.676
  678   2HB   ALA  89          2HB       ALA  89   3.073 -14.556   6.498
  679   3HB   ALA  89          3HB       ALA  89   2.276 -15.215   5.068
  680    H    ALA  90           H        ALA  90   1.006 -13.488   3.653
  681    HA   ALA  90           HA       ALA  90   2.848 -11.315   3.361
  682   1HB   ALA  90          1HB       ALA  90   1.980 -11.099   1.111
  683   2HB   ALA  90          2HB       ALA  90   0.488 -11.930   1.552
  684   3HB   ALA  90          3HB       ALA  90   2.010 -12.820   1.498
  685    H    ALA  91           H        ALA  91  -0.465 -11.524   4.317
  686    HA   ALA  91           HA       ALA  91  -1.263  -8.819   3.806
  687   1HB   ALA  91          1HB       ALA  91  -2.362 -10.224   6.207
  688   2HB   ALA  91          2HB       ALA  91  -2.554 -11.043   4.661
  689   3HB   ALA  91          3HB       ALA  91  -3.214  -9.430   4.880
  690    H    GLU  92           H        GLU  92   0.246 -10.411   6.620
  691    HA   GLU  92           HA       GLU  92   0.313  -8.083   8.298
  692   1HB   GLU  92          2HB       GLU  92   1.862 -10.668   8.210
  693   2HB   GLU  92          1HB       GLU  92   2.331  -9.403   9.343
  694   1HG   GLU  92          2HG       GLU  92   0.559  -9.827  10.728
  695   2HG   GLU  92          1HG       GLU  92  -0.584  -9.907   9.389
  696    H    GLN  93           H        GLN  93   2.061  -8.905   5.477
  697    HA   GLN  93           HA       GLN  93   4.435  -7.319   6.102
  698   1HB   GLN  93          2HB       GLN  93   5.243  -8.392   4.244
  699   2HB   GLN  93          1HB       GLN  93   3.724  -9.259   4.186
  700   1HG   GLN  93          2HG       GLN  93   4.071  -8.339   2.012
  701   2HG   GLN  93          1HG       GLN  93   2.818  -7.356   2.753
  702   1HE2  GLN  93          1HE2      GLN  93   5.261  -6.281   4.506
  703   2HE2  GLN  93          2HE2      GLN  93   5.909  -5.073   3.495
  704    H    LEU  94           H        LEU  94   1.413  -6.835   4.302
  705    HA   LEU  94           HA       LEU  94   2.012  -4.165   3.433
  706   1HB   LEU  94          2HB       LEU  94   0.151  -5.504   2.493
  707   2HB   LEU  94          1HB       LEU  94  -0.677  -5.437   4.041
  708    HG   LEU  94           HG       LEU  94  -0.823  -2.981   3.873
  709   1HD1  LEU  94          1HD1      LEU  94   0.999  -2.211   2.636
  710   2HD1  LEU  94          2HD1      LEU  94  -0.283  -2.101   1.433
  711   3HD1  LEU  94          3HD1      LEU  94   0.834  -3.465   1.406
  712   1HD2  LEU  94          1HD2      LEU  94  -1.805  -4.047   1.233
  713   2HD2  LEU  94          2HD2      LEU  94  -2.606  -2.951   2.354
  714   3HD2  LEU  94          3HD2      LEU  94  -2.485  -4.667   2.736
  715    H    LYS  95           H        LYS  95   0.386  -5.451   6.320
  716    HA   LYS  95           HA       LYS  95  -0.417  -3.008   7.484
  717   1HB   LYS  95          2HB       LYS  95   0.574  -5.572   8.763
  718   2HB   LYS  95          1HB       LYS  95  -0.138  -4.245   9.682
  719   1HG   LYS  95          2HG       LYS  95  -2.259  -4.505   8.676
  720   2HG   LYS  95          1HG       LYS  95  -1.598  -5.410   7.317
  721   1HD   LYS  95          2HD       LYS  95  -1.960  -7.389   8.386
  722   2HD   LYS  95          1HD       LYS  95  -1.020  -6.869   9.779
  723   1HE   LYS  95          2HE       LYS  95  -3.039  -5.652  10.627
  724   2HE   LYS  95          1HE       LYS  95  -3.964  -6.325   9.284
  725   1HZ   LYS  95          1HZ       LYS  95  -3.307  -8.555  10.073
  726   2HZ   LYS  95          2HZ       LYS  95  -4.258  -7.705  11.195
  727   3HZ   LYS  95          3HZ       LYS  95  -2.581  -7.839  11.428
  728    H    THR  96           H        THR  96   2.548  -4.830   8.283
  729    HA   THR  96           HA       THR  96   3.747  -2.594   9.622
  730    HB   THR  96           HB       THR  96   5.426  -4.808   8.466
  731    HG1  THR  96           1HG      THR  96   4.305  -5.554  10.772
  732   1HG2  THR  96          1HG2      THR  96   5.275  -3.399  11.153
  733   2HG2  THR  96          2HG2      THR  96   6.515  -3.196   9.918
  734   3HG2  THR  96          3HG2      THR  96   6.380  -4.722  10.785
  735    H    THR  97           H        THR  97   3.630  -3.510   6.224
  736    HA   THR  97           HA       THR  97   5.974  -2.326   5.241
  737    HB   THR  97           HB       THR  97   3.184  -2.225   4.050
  738    HG1  THR  97           1HG      THR  97   3.919  -4.253   3.989
  739   1HG2  THR  97          1HG2      THR  97   4.346  -0.393   3.044
  740   2HG2  THR  97          2HG2      THR  97   4.456  -1.728   1.900
  741   3HG2  THR  97          3HG2      THR  97   5.838  -1.326   2.918
  742    H    ILE  98           H        ILE  98   2.838  -0.709   5.668
  743    HA   ILE  98           HA       ILE  98   3.727   1.943   5.262
  744    HB   ILE  98           HB       ILE  98   1.409   0.684   6.727
  745   1HG1  ILE  98          2HG1      ILE  98   0.345   2.155   4.668
  746   2HG1  ILE  98          1HG1      ILE  98   1.919   1.762   3.982
  747   1HG2  ILE  98          1HG2      ILE  98   0.430   3.091   6.598
  748   2HG2  ILE  98          2HG2      ILE  98   2.108   3.582   6.577
  749   3HG2  ILE  98          3HG2      ILE  98   1.493   2.665   7.937
  750   1HD1  ILE  98          1HD1      ILE  98   0.184   0.074   3.424
  751   2HD1  ILE  98          2HD1      ILE  98  -0.009  -0.272   5.141
  752   3HD1  ILE  98          3HD1      ILE  98   1.523  -0.616   4.338
  753    H    ARG  99           H        ARG  99   3.111   0.323   8.428
  754    HA   ARG  99           HA       ARG  99   4.069   2.457   9.992
  755   1HB   ARG  99          2HB       ARG  99   2.884   0.115  10.498
  756   2HB   ARG  99          1HB       ARG  99   4.532  -0.383  10.866
  757   1HG   ARG  99          2HG       ARG  99   3.442   2.161  12.083
  758   2HG   ARG  99          1HG       ARG  99   3.013   0.603  12.755
  759   1HD   ARG  99          2HD       ARG  99   5.877   1.422  12.260
  760   2HD   ARG  99          1HD       ARG  99   5.054   1.686  13.797
  761    HE   ARG  99           HE       ARG  99   4.765  -1.057  13.019
  762   1HH1  ARG  99          1HH2      ARG  99   7.053   1.273  14.122
  763   2HH1  ARG  99          2HH2      ARG  99   8.035   0.115  14.953
  764   1HH2  ARG  99          1HH1      ARG  99   6.038  -2.587  14.102
  765   2HH2  ARG  99          2HH1      ARG  99   7.461  -2.069  14.942
  766    H    ALA 100           H        ALA 100   5.928  -0.376   8.763
  767    HA   ALA 100           HA       ALA 100   8.406   0.341  10.009
  768   1HB   ALA 100          1HB       ALA 100   8.193  -1.855   9.045
  769   2HB   ALA 100          2HB       ALA 100   9.445  -1.017   8.136
  770   3HB   ALA 100          3HB       ALA 100   7.826  -1.184   7.457
  771    H    TYR 101           H        TYR 101   7.018   1.191   6.898
  772    HA   TYR 101           HA       TYR 101   9.236   2.720   5.903
  773   1HB   TYR 101          2HB       TYR 101   6.303   2.475   5.285
  774   2HB   TYR 101          1HB       TYR 101   7.204   3.802   4.560
  775    HD1  TYR 101           1HD      TYR 101   8.840   0.558   5.269
  776    HD2  TYR 101           2HD      TYR 101   6.844   2.932   2.277
  777    HE1  TYR 101           1HE      TYR 101   9.680  -0.955   3.505
  778    HE2  TYR 101           2HE      TYR 101   7.696   1.407   0.519
  779    HH   TYR 101           HH       TYR 101   8.851  -1.591   1.086
  780    H    ASN 102           H        ASN 102   7.375   3.131   8.568
  781    HA   ASN 102           HA       ASN 102   7.349   4.928  10.111
  782   1HB   ASN 102          2HB       ASN 102   9.309   5.924   8.652
  783   2HB   ASN 102          1HB       ASN 102   8.043   6.902   7.918
  784   1HD2  ASN 102          1HD2      ASN 102   6.713   8.261   9.426
  785   2HD2  ASN 102          2HD2      ASN 102   7.426   8.823  10.863
  786    H    GLN 103           H        GLN 103   5.075   4.080   9.569
  787    HA   GLN 103           HA       GLN 103   2.900   4.393   8.831
  788   1HB   GLN 103          2HB       GLN 103   3.933   6.959   9.906
  789   2HB   GLN 103          1HB       GLN 103   2.409   7.049   9.017
  790   1HG   GLN 103          2HG       GLN 103   2.929   5.069  11.255
  791   2HG   GLN 103          1HG       GLN 103   2.166   6.644  11.521
  792   1HE2  GLN 103          1HE2      GLN 103   1.354   5.501   8.430
  793   2HE2  GLN 103          2HE2      GLN 103  -0.130   4.794   8.802
  794    H    LYS 104           H        LYS 104   4.389   3.903   6.853
  795    HA   LYS 104           HA       LYS 104   4.719   4.017   4.603
  796   1HB   LYS 104          2HB       LYS 104   2.417   3.994   4.359
  797   2HB   LYS 104          1HB       LYS 104   2.218   5.587   5.034
  798   1HG   LYS 104          2HG       LYS 104   1.892   5.451   2.545
  799   2HG   LYS 104          1HG       LYS 104   3.128   6.610   3.041
  800   1HD   LYS 104          2HD       LYS 104   4.901   5.155   2.386
  801   2HD   LYS 104          1HD       LYS 104   3.834   3.738   2.379
  802   1HE   LYS 104          2HE       LYS 104   2.781   4.421   0.365
  803   2HE   LYS 104          1HE       LYS 104   3.415   6.062   0.489
  804   1HZ   LYS 104          1HZ       LYS 104   5.657   4.585   0.500
  805   2HZ   LYS 104          2HZ       LYS 104   4.988   5.305  -0.884
  806   3HZ   LYS 104          3HZ       LYS 104   4.670   3.674  -0.535
  807    H    TYR 105           H        TYR 105   3.775   7.432   5.330
  808    HA   TYR 105           HA       TYR 105   6.591   8.170   4.783
  809   1HB   TYR 105          2HB       TYR 105   4.536   8.498   2.818
  810   2HB   TYR 105          1HB       TYR 105   4.922  10.109   3.415
  811    HD1  TYR 105           1HD      TYR 105   6.591   6.961   2.236
  812    HD2  TYR 105           2HD      TYR 105   6.795  11.240   2.568
  813    HE1  TYR 105           1HE      TYR 105   8.680   6.964   0.919
  814    HE2  TYR 105           2HE      TYR 105   8.886  11.242   1.239
  815    HH   TYR 105           HH       TYR 105  10.608   9.867   0.528
  816    H    GLY 106           H        GLY 106   3.697   8.642   6.486
  817   1HA   GLY 106          2HA       GLY 106   2.986  10.300   8.007
  818   2HA   GLY 106          1HA       GLY 106   4.661  10.190   8.537
  Start of MODEL    5
    1    HA   ALA   1           HA       ALA   1 -16.673   6.623  -2.005
    2   1HB   ALA   1          1HB       ALA   1 -15.005   6.928  -4.513
    3   2HB   ALA   1          2HB       ALA   1 -15.799   5.467  -3.925
    4   3HB   ALA   1          3HB       ALA   1 -14.417   6.133  -3.053
    5    H    ASP   2           H        ASP   2 -16.302   8.096  -0.388
    6    HA   ASP   2           HA       ASP   2 -14.881  10.596  -0.892
    7   1HB   ASP   2          2HB       ASP   2 -15.708   9.302   1.721
    8   2HB   ASP   2          1HB       ASP   2 -15.120  10.953   1.538
    9    H    LEU   3           H        LEU   3 -12.980  11.133   0.625
   10    HA   LEU   3           HA       LEU   3 -10.777   9.497   0.003
   11   1HB   LEU   3          2HB       LEU   3 -11.139  11.967   1.191
   12   2HB   LEU   3          1HB       LEU   3 -10.525  11.027   2.540
   13    HG   LEU   3           HG       LEU   3  -8.634  12.021   1.453
   14   1HD1  LEU   3          1HD1      LEU   3  -8.668   9.441   2.022
   15   2HD1  LEU   3          2HD1      LEU   3  -7.291  10.155   1.188
   16   3HD1  LEU   3          3HD1      LEU   3  -8.502   9.262   0.274
   17   1HD2  LEU   3          1HD2      LEU   3 -10.016  12.228  -0.803
   18   2HD2  LEU   3          2HD2      LEU   3  -9.210  10.711  -1.195
   19   3HD2  LEU   3          3HD2      LEU   3  -8.257  12.146  -0.839
   20    H    GLU   4           H        GLU   4 -12.603   9.670   3.063
   21    HA   GLU   4           HA       GLU   4 -11.138   7.651   4.444
   22   1HB   GLU   4          2HB       GLU   4 -12.966   7.631   6.004
   23   2HB   GLU   4          1HB       GLU   4 -12.809   9.290   5.427
   24   1HG   GLU   4          2HG       GLU   4 -14.567   8.532   3.608
   25   2HG   GLU   4          1HG       GLU   4 -14.916   7.242   4.757
   26    H    ASP   5           H        ASP   5 -13.539   7.393   1.928
   27    HA   ASP   5           HA       ASP   5 -14.277   4.664   2.583
   28   1HB   ASP   5          2HB       ASP   5 -15.860   5.914   1.295
   29   2HB   ASP   5          1HB       ASP   5 -14.646   6.357   0.102
   30    H    ASN   6           H        ASN   6 -11.756   6.148   0.580
   31    HA   ASN   6           HA       ASN   6 -10.943   3.877  -0.902
   32   1HB   ASN   6          2HB       ASN   6  -8.913   4.991  -1.243
   33   2HB   ASN   6          1HB       ASN   6  -9.922   6.329  -0.724
   34   1HD2  ASN   6          1HD2      ASN   6  -7.768   3.838   0.742
   35   2HD2  ASN   6          2HD2      ASN   6  -7.140   4.874   1.928
   36    H    TRP   7           H        TRP   7 -10.209   4.897   2.375
   37    HA   TRP   7           HA       TRP   7  -8.539   2.783   3.144
   38   1HB   TRP   7          2HB       TRP   7 -10.253   4.798   4.481
   39   2HB   TRP   7          1HB       TRP   7 -10.023   3.348   5.446
   40    HD1  TRP   7           HD       TRP   7  -7.842   5.735   3.349
   41    HE1  TRP   7           1HE      TRP   7  -5.627   6.142   4.604
   42    HE3  TRP   7           3HE      TRP   7  -8.562   2.716   7.402
   43    HZ2  TRP   7           2HZ      TRP   7  -4.339   5.305   7.012
   44    HZ3  TRP   7           3HZ      TRP   7  -6.821   2.533   9.157
   45    HH2  TRP   7           HH       TRP   7  -4.707   3.821   8.963
   46    H    GLU   8           H        GLU   8 -12.064   3.063   3.034
   47    HA   GLU   8           HA       GLU   8 -12.707   0.577   4.264
   48   1HB   GLU   8          2HB       GLU   8 -14.241   2.556   3.559
   49   2HB   GLU   8          1HB       GLU   8 -14.315   1.739   2.005
   50   1HG   GLU   8          2HG       GLU   8 -15.070   0.537   4.685
   51   2HG   GLU   8          1HG       GLU   8 -16.196   1.042   3.426
   52    H    THR   9           H        THR   9 -11.943   1.414   0.886
   53    HA   THR   9           HA       THR   9 -12.488  -1.134  -0.259
   54    HB   THR   9           HB       THR   9 -10.098   0.510  -1.147
   55    HG1  THR   9           1HG      THR   9 -12.840   1.157  -1.507
   56   1HG2  THR   9          1HG2      THR   9 -10.841  -1.615  -2.304
   57   2HG2  THR   9          2HG2      THR   9 -10.799  -0.188  -3.338
   58   3HG2  THR   9          3HG2      THR   9 -12.339  -0.786  -2.723
   59    H    LEU  10           H        LEU  10  -9.460   0.224   0.984
   60    HA   LEU  10           HA       LEU  10  -7.956  -2.208   0.870
   61   1HB   LEU  10          2HB       LEU  10  -7.702   0.487   2.144
   62   2HB   LEU  10          1HB       LEU  10  -6.693  -0.790   2.813
   63    HG   LEU  10           HG       LEU  10  -5.918  -1.256   0.441
   64   1HD1  LEU  10          1HD1      LEU  10  -7.796  -0.124  -0.706
   65   2HD1  LEU  10          2HD1      LEU  10  -6.244   0.547  -1.201
   66   3HD1  LEU  10          3HD1      LEU  10  -7.254   1.421  -0.049
   67   1HD2  LEU  10          1HD2      LEU  10  -5.407   1.400   1.792
   68   2HD2  LEU  10          2HD2      LEU  10  -4.466   0.842   0.409
   69   3HD2  LEU  10          3HD2      LEU  10  -4.449  -0.073   1.916
   70    H    ASN  11           H        ASN  11 -10.169  -0.867   3.233
   71    HA   ASN  11           HA       ASN  11  -9.395  -2.408   5.484
   72   1HB   ASN  11          2HB       ASN  11 -11.116  -0.545   5.411
   73   2HB   ASN  11          1HB       ASN  11 -12.235  -1.730   4.717
   74   1HD2  ASN  11          1HD2      ASN  11  -9.967  -3.094   6.951
   75   2HD2  ASN  11          2HD2      ASN  11 -11.009  -3.211   8.277
   76    H    ASP  12           H        ASP  12 -12.170  -3.036   3.379
   77    HA   ASP  12           HA       ASP  12 -12.727  -5.654   4.224
   78   1HB   ASP  12          2HB       ASP  12 -13.022  -4.391   1.504
   79   2HB   ASP  12          1HB       ASP  12 -13.752  -5.933   1.951
   80    H    ASN  13           H        ASN  13 -10.130  -4.476   2.230
   81    HA   ASN  13           HA       ASN  13  -9.647  -6.989   0.901
   82   1HB   ASN  13          2HB       ASN  13  -8.018  -4.504   1.335
   83   2HB   ASN  13          1HB       ASN  13  -7.192  -5.955   0.788
   84   1HD2  ASN  13          1HD2      ASN  13  -9.754  -3.632  -0.080
   85   2HD2  ASN  13          2HD2      ASN  13  -9.777  -4.021  -1.732
   86    H    LEU  14           H        LEU  14  -7.842  -5.460   3.609
   87    HA   LEU  14           HA       LEU  14  -6.371  -7.730   4.377
   88   1HB   LEU  14          2HB       LEU  14  -7.424  -5.349   5.885
   89   2HB   LEU  14          1HB       LEU  14  -6.541  -6.621   6.730
   90    HG   LEU  14           HG       LEU  14  -5.086  -4.710   5.987
   91   1HD1  LEU  14          1HD1      LEU  14  -3.292  -6.065   5.499
   92   2HD1  LEU  14          2HD1      LEU  14  -4.185  -7.028   4.330
   93   3HD1  LEU  14          3HD1      LEU  14  -4.419  -7.296   6.061
   94   1HD2  LEU  14          1HD2      LEU  14  -5.613  -5.728   3.176
   95   2HD2  LEU  14          2HD2      LEU  14  -4.654  -4.326   3.651
   96   3HD2  LEU  14          3HD2      LEU  14  -6.394  -4.311   3.866
   97    H    LYS  15           H        LYS  15  -9.670  -6.802   5.080
   98    HA   LYS  15           HA       LYS  15 -10.292  -8.509   7.221
   99   1HB   LYS  15          2HB       LYS  15 -11.759  -6.741   6.198
  100   2HB   LYS  15          1HB       LYS  15 -12.074  -7.839   4.858
  101   1HG   LYS  15          2HG       LYS  15 -12.914  -9.520   6.554
  102   2HG   LYS  15          1HG       LYS  15 -12.785  -8.255   7.772
  103   1HD   LYS  15          2HD       LYS  15 -14.917  -7.665   7.180
  104   2HD   LYS  15          1HD       LYS  15 -14.206  -6.979   5.720
  105   1HE   LYS  15          2HE       LYS  15 -15.892  -8.424   4.914
  106   2HE   LYS  15          1HE       LYS  15 -14.413  -9.368   4.736
  107   1HZ   LYS  15          1HZ       LYS  15 -16.573  -9.653   6.711
  108   2HZ   LYS  15          2HZ       LYS  15 -15.001 -10.151   7.118
  109   3HZ   LYS  15          3HZ       LYS  15 -15.797 -10.846   5.788
  110    H    VAL  16           H        VAL  16 -10.771  -9.264   3.736
  111    HA   VAL  16           HA       VAL  16 -11.548 -11.946   4.293
  112    HB   VAL  16           HB       VAL  16 -11.083 -10.280   1.939
  113   1HG1  VAL  16          1HG1      VAL  16  -9.250 -11.810   1.441
  114   2HG1  VAL  16          2HG1      VAL  16 -10.593 -12.124   0.346
  115   3HG1  VAL  16          3HG1      VAL  16 -10.294 -13.201   1.711
  116   1HG2  VAL  16          1HG2      VAL  16 -12.877 -11.720   1.012
  117   2HG2  VAL  16          2HG2      VAL  16 -13.275 -11.138   2.629
  118   3HG2  VAL  16          3HG2      VAL  16 -12.715 -12.794   2.404
  119    H    ILE  17           H        ILE  17  -8.282 -10.754   3.235
  120    HA   ILE  17           HA       ILE  17  -7.069 -13.288   3.158
  121    HB   ILE  17           HB       ILE  17  -5.289 -11.318   4.478
  122   1HG1  ILE  17          2HG1      ILE  17  -6.752 -10.577   1.916
  123   2HG1  ILE  17          1HG1      ILE  17  -6.824  -9.718   3.445
  124   1HG2  ILE  17          1HG2      ILE  17  -4.628 -13.333   3.100
  125   2HG2  ILE  17          2HG2      ILE  17  -3.864 -11.824   2.610
  126   3HG2  ILE  17          3HG2      ILE  17  -5.218 -12.471   1.680
  127   1HD1  ILE  17          1HD1      ILE  17  -4.132  -9.714   3.043
  128   2HD1  ILE  17          2HD1      ILE  17  -5.196  -8.431   2.473
  129   3HD1  ILE  17          3HD1      ILE  17  -4.701  -9.717   1.375
  130    H    GLU  18           H        GLU  18  -7.293 -11.143   6.011
  131    HA   GLU  18           HA       GLU  18  -6.225 -12.979   7.878
  132   1HB   GLU  18          2HB       GLU  18  -8.442 -10.946   8.307
  133   2HB   GLU  18          1HB       GLU  18  -7.516 -11.725   9.584
  134   1HG   GLU  18          2HG       GLU  18  -5.568 -10.613   7.821
  135   2HG   GLU  18          1HG       GLU  18  -6.808  -9.375   7.982
  136    H    LYS  19           H        LYS  19  -9.197 -13.032   6.122
  137    HA   LYS  19           HA       LYS  19 -10.163 -15.344   7.776
  138   1HB   LYS  19          2HB       LYS  19 -11.824 -13.173   6.454
  139   2HB   LYS  19          1HB       LYS  19 -12.471 -14.579   7.297
  140   1HG   LYS  19          2HG       LYS  19 -11.831 -13.787   9.402
  141   2HG   LYS  19          1HG       LYS  19 -10.527 -12.801   8.751
  142   1HD   LYS  19          2HD       LYS  19 -12.566 -11.535   9.623
  143   2HD   LYS  19          1HD       LYS  19 -12.025 -11.105   8.003
  144   1HE   LYS  19          2HE       LYS  19 -13.861 -12.137   6.984
  145   2HE   LYS  19          1HE       LYS  19 -14.100 -13.267   8.318
  146   1HZ   LYS  19          1HZ       LYS  19 -15.430 -11.849   9.362
  147   2HZ   LYS  19          2HZ       LYS  19 -15.499 -10.976   7.908
  148   3HZ   LYS  19          3HZ       LYS  19 -14.390 -10.533   9.115
  149    H    ALA  20           H        ALA  20  -8.551 -15.212   5.227
  150    HA   ALA  20           HA       ALA  20 -10.211 -15.841   2.983
  151   1HB   ALA  20          1HB       ALA  20  -7.327 -16.378   3.656
  152   2HB   ALA  20          2HB       ALA  20  -7.991 -15.280   2.448
  153   3HB   ALA  20          3HB       ALA  20  -8.034 -17.017   2.172
  154    H    ASP  21           H        ASP  21  -9.368 -17.717   5.738
  155    HA   ASP  21           HA       ASP  21  -9.989 -19.890   6.356
  156   1HB   ASP  21          2HB       ASP  21 -11.413 -20.207   3.709
  157   2HB   ASP  21          1HB       ASP  21 -11.796 -20.938   5.268
  158    H    ASN  22           H        ASN  22  -8.814 -19.336   3.084
  159    HA   ASN  22           HA       ASN  22  -6.885 -21.539   3.433
  160   1HB   ASN  22          2HB       ASN  22  -8.587 -21.551   0.937
  161   2HB   ASN  22          1HB       ASN  22  -7.534 -22.824   1.560
  162   1HD2  ASN  22          1HD2      ASN  22 -10.698 -21.310   1.904
  163   2HD2  ASN  22          2HD2      ASN  22 -11.344 -22.469   2.963
  164    H    ALA  23           H        ALA  23  -5.072 -21.324   2.034
  165    HA   ALA  23           HA       ALA  23  -4.303 -18.720   1.309
  166   1HB   ALA  23          1HB       ALA  23  -2.712 -20.048  -0.341
  167   2HB   ALA  23          2HB       ALA  23  -3.372 -21.457   0.490
  168   3HB   ALA  23          3HB       ALA  23  -2.512 -20.218   1.403
  169    H    ALA  24           H        ALA  24  -6.628 -20.673  -0.174
  170    HA   ALA  24           HA       ALA  24  -6.257 -19.891  -2.923
  171   1HB   ALA  24          1HB       ALA  24  -8.653 -20.902  -1.370
  172   2HB   ALA  24          2HB       ALA  24  -7.644 -21.794  -2.509
  173   3HB   ALA  24          3HB       ALA  24  -8.730 -20.533  -3.093
  174    H    GLN  25           H        GLN  25  -8.766 -18.754  -0.576
  175    HA   GLN  25           HA       GLN  25  -9.503 -16.533  -2.246
  176   1HB   GLN  25          2HB       GLN  25  -9.852 -16.965   0.729
  177   2HB   GLN  25          1HB       GLN  25 -10.564 -15.632  -0.170
  178   1HG   GLN  25          2HG       GLN  25 -12.315 -16.961  -0.774
  179   2HG   GLN  25          1HG       GLN  25 -11.208 -18.056  -1.595
  180   1HE2  GLN  25          1HE2      GLN  25 -10.890 -20.105  -0.652
  181   2HE2  GLN  25          2HE2      GLN  25 -11.484 -20.555   0.873
  182    H    VAL  26           H        VAL  26  -6.733 -17.040  -0.347
  183    HA   VAL  26           HA       VAL  26  -6.257 -14.327   0.502
  184    HB   VAL  26           HB       VAL  26  -4.525 -16.764   0.088
  185   1HG1  VAL  26          1HG1      VAL  26  -3.005 -15.026  -0.406
  186   2HG1  VAL  26          2HG1      VAL  26  -2.733 -15.406   1.292
  187   3HG1  VAL  26          3HG1      VAL  26  -3.669 -13.982   0.846
  188   1HG2  VAL  26          1HG2      VAL  26  -4.220 -16.324   2.642
  189   2HG2  VAL  26          2HG2      VAL  26  -5.731 -17.024   2.074
  190   3HG2  VAL  26          3HG2      VAL  26  -5.651 -15.311   2.468
  191    H    LYS  27           H        LYS  27  -4.816 -16.270  -2.139
  192    HA   LYS  27           HA       LYS  27  -3.483 -14.106  -3.361
  193   1HB   LYS  27          2HB       LYS  27  -3.696 -15.551  -5.505
  194   2HB   LYS  27          1HB       LYS  27  -2.804 -16.214  -4.140
  195   1HG   LYS  27          2HG       LYS  27  -4.905 -17.402  -3.427
  196   2HG   LYS  27          1HG       LYS  27  -5.662 -16.843  -4.910
  197   1HD   LYS  27          2HD       LYS  27  -3.096 -18.443  -4.845
  198   2HD   LYS  27          1HD       LYS  27  -4.688 -19.174  -5.019
  199   1HE   LYS  27          2HE       LYS  27  -4.994 -17.535  -7.013
  200   2HE   LYS  27          1HE       LYS  27  -3.243 -17.342  -6.931
  201   1HZ   LYS  27          1HZ       LYS  27  -3.954 -19.102  -8.472
  202   2HZ   LYS  27          2HZ       LYS  27  -4.638 -19.950  -7.169
  203   3HZ   LYS  27          3HZ       LYS  27  -2.961 -19.685  -7.227
  204    H    ASP  28           H        ASP  28  -6.831 -15.159  -3.646
  205    HA   ASP  28           HA       ASP  28  -7.545 -13.544  -5.918
  206   1HB   ASP  28          2HB       ASP  28  -8.822 -15.386  -4.303
  207   2HB   ASP  28          1HB       ASP  28  -9.594 -13.902  -3.790
  208    H    ALA  29           H        ALA  29  -8.071 -12.977  -2.456
  209    HA   ALA  29           HA       ALA  29  -8.992 -10.354  -2.560
  210   1HB   ALA  29          1HB       ALA  29  -8.348 -12.075  -0.586
  211   2HB   ALA  29          2HB       ALA  29  -8.682 -10.367  -0.286
  212   3HB   ALA  29          3HB       ALA  29  -7.016 -10.938  -0.405
  213    H    LEU  30           H        LEU  30  -5.569 -11.395  -2.497
  214    HA   LEU  30           HA       LEU  30  -4.481  -8.786  -2.423
  215   1HB   LEU  30          2HB       LEU  30  -3.414 -11.410  -3.446
  216   2HB   LEU  30          1HB       LEU  30  -2.434  -9.936  -3.510
  217    HG   LEU  30           HG       LEU  30  -3.797 -10.714  -0.918
  218   1HD1  LEU  30          1HD1      LEU  30  -2.475 -12.700  -1.788
  219   2HD1  LEU  30          2HD1      LEU  30  -1.954 -12.068  -0.230
  220   3HD1  LEU  30          3HD1      LEU  30  -1.046 -11.678  -1.683
  221   1HD2  LEU  30          1HD2      LEU  30  -1.687  -9.603  -0.020
  222   2HD2  LEU  30          2HD2      LEU  30  -2.771  -8.537  -0.909
  223   3HD2  LEU  30          3HD2      LEU  30  -1.308  -9.150  -1.679
  224    H    THR  31           H        THR  31  -5.612 -10.691  -5.194
  225    HA   THR  31           HA       THR  31  -4.557  -8.940  -7.207
  226    HB   THR  31           HB       THR  31  -6.829 -10.931  -7.107
  227    HG1  THR  31           1HG      THR  31  -5.039 -12.004  -7.450
  228   1HG2  THR  31          1HG2      THR  31  -7.698  -9.356  -8.643
  229   2HG2  THR  31          2HG2      THR  31  -6.904 -10.570  -9.645
  230   3HG2  THR  31          3HG2      THR  31  -6.108  -9.028  -9.331
  231    H    LYS  32           H        LYS  32  -7.363  -8.851  -5.118
  232    HA   LYS  32           HA       LYS  32  -8.679  -6.679  -6.545
  233   1HB   LYS  32          2HB       LYS  32  -9.196  -7.149  -3.616
  234   2HB   LYS  32          1HB       LYS  32 -10.335  -6.755  -4.900
  235   1HG   LYS  32          2HG       LYS  32  -8.942  -9.426  -4.651
  236   2HG   LYS  32          1HG       LYS  32 -10.535  -9.109  -4.009
  237   1HD   LYS  32          2HD       LYS  32 -11.527  -9.044  -6.101
  238   2HD   LYS  32          1HD       LYS  32 -10.080  -8.448  -6.898
  239   1HE   LYS  32          2HE       LYS  32  -9.313 -10.562  -7.355
  240   2HE   LYS  32          1HE       LYS  32  -9.821 -11.212  -5.795
  241   1HZ   LYS  32          1HZ       LYS  32 -11.913 -11.648  -6.551
  242   2HZ   LYS  32          2HZ       LYS  32 -11.033 -11.888  -7.986
  243   3HZ   LYS  32          3HZ       LYS  32 -11.880 -10.436  -7.737
  244    H    MET  33           H        MET  33  -6.417  -7.017  -3.864
  245    HA   MET  33           HA       MET  33  -6.353  -4.276  -3.040
  246   1HB   MET  33          2HB       MET  33  -4.433  -6.574  -2.931
  247   2HB   MET  33          1HB       MET  33  -3.837  -4.972  -2.518
  248   1HG   MET  33          2HG       MET  33  -5.812  -4.817  -0.884
  249   2HG   MET  33          1HG       MET  33  -6.030  -6.545  -1.143
  250   1HE   MET  33          1HE       MET  33  -3.166  -4.476   1.597
  251   2HE   MET  33          2HE       MET  33  -4.894  -4.282   1.313
  252   3HE   MET  33          3HE       MET  33  -3.742  -3.706   0.111
  253    H    ARG  34           H        ARG  34  -4.630  -6.049  -5.623
  254    HA   ARG  34           HA       ARG  34  -2.856  -4.076  -6.512
  255   1HB   ARG  34          2HB       ARG  34  -4.244  -6.360  -7.658
  256   2HB   ARG  34          1HB       ARG  34  -4.118  -5.100  -8.868
  257   1HG   ARG  34          2HG       ARG  34  -2.147  -6.342  -9.172
  258   2HG   ARG  34          1HG       ARG  34  -1.603  -5.006  -8.169
  259   1HD   ARG  34          2HD       ARG  34  -2.442  -7.716  -7.096
  260   2HD   ARG  34          1HD       ARG  34  -0.774  -7.236  -7.382
  261    HE   ARG  34           HE       ARG  34  -2.383  -6.459  -5.113
  262   1HH1  ARG  34          1HH2      ARG  34   0.032  -5.408  -7.342
  263   2HH1  ARG  34          2HH2      ARG  34   0.748  -4.284  -6.237
  264   1HH2  ARG  34          1HH1      ARG  34  -1.464  -4.992  -3.665
  265   2HH2  ARG  34          2HH1      ARG  34  -0.099  -4.047  -4.159
  266    H    ALA  35           H        ALA  35  -6.298  -4.417  -7.238
  267    HA   ALA  35           HA       ALA  35  -6.500  -2.010  -8.802
  268   1HB   ALA  35          1HB       ALA  35  -8.753  -3.136  -7.143
  269   2HB   ALA  35          2HB       ALA  35  -8.151  -3.996  -8.562
  270   3HB   ALA  35          3HB       ALA  35  -8.827  -2.373  -8.735
  271    H    ALA  36           H        ALA  36  -7.249  -2.695  -5.373
  272    HA   ALA  36           HA       ALA  36  -7.826   0.053  -4.694
  273   1HB   ALA  36          1HB       ALA  36  -8.512  -0.953  -2.772
  274   2HB   ALA  36          2HB       ALA  36  -6.867  -1.474  -2.410
  275   3HB   ALA  36          3HB       ALA  36  -7.911  -2.483  -3.407
  276    H    ALA  37           H        ALA  37  -4.880  -1.691  -5.219
  277    HA   ALA  37           HA       ALA  37  -3.136  -0.262  -3.458
  278   1HB   ALA  37          1HB       ALA  37  -1.335  -1.129  -4.828
  279   2HB   ALA  37          2HB       ALA  37  -2.449  -1.468  -6.149
  280   3HB   ALA  37          3HB       ALA  37  -2.559  -2.383  -4.646
  281    H    LEU  38           H        LEU  38  -3.151   0.097  -7.018
  282    HA   LEU  38           HA       LEU  38  -1.870   2.657  -6.890
  283   1HB   LEU  38          2HB       LEU  38  -3.609   1.655  -9.152
  284   2HB   LEU  38          1HB       LEU  38  -2.359   2.902  -9.225
  285    HG   LEU  38           HG       LEU  38  -1.533   0.192  -8.211
  286   1HD1  LEU  38          1HD1      LEU  38  -2.754  -0.582 -10.089
  287   2HD1  LEU  38          2HD1      LEU  38  -1.088  -0.452 -10.656
  288   3HD1  LEU  38          3HD1      LEU  38  -2.264   0.795 -11.079
  289   1HD2  LEU  38          1HD2      LEU  38  -0.166   2.010 -10.206
  290   2HD2  LEU  38          2HD2      LEU  38   0.565   0.787  -9.166
  291   3HD2  LEU  38          3HD2      LEU  38  -0.051   2.284  -8.466
  292    H    ASP  39           H        ASP  39  -5.213   1.711  -6.590
  293    HA   ASP  39           HA       ASP  39  -6.399   4.234  -7.283
  294   1HB   ASP  39          2HB       ASP  39  -7.721   2.130  -6.880
  295   2HB   ASP  39          1HB       ASP  39  -7.341   2.272  -5.163
  296    H    ALA  40           H        ALA  40  -4.871   2.901  -4.420
  297    HA   ALA  40           HA       ALA  40  -5.434   5.020  -2.601
  298   1HB   ALA  40          1HB       ALA  40  -4.078   3.768  -1.232
  299   2HB   ALA  40          2HB       ALA  40  -2.711   3.926  -2.333
  300   3HB   ALA  40          3HB       ALA  40  -3.905   2.657  -2.583
  301    H    GLN  41           H        GLN  41  -2.987   4.551  -5.120
  302    HA   GLN  41           HA       GLN  41  -1.329   6.779  -4.747
  303   1HB   GLN  41          2HB       GLN  41  -1.479   4.937  -6.733
  304   2HB   GLN  41          1HB       GLN  41  -2.328   6.248  -7.542
  305   1HG   GLN  41          2HG       GLN  41   0.486   6.385  -6.395
  306   2HG   GLN  41          1HG       GLN  41   0.026   6.415  -8.098
  307   1HE2  GLN  41          1HE2      GLN  41  -1.932   8.246  -8.350
  308   2HE2  GLN  41          2HE2      GLN  41  -1.486   9.758  -7.721
  309    H    LYS  42           H        LYS  42  -4.590   6.618  -6.087
  310    HA   LYS  42           HA       LYS  42  -4.616   9.555  -6.564
  311   1HB   LYS  42          2HB       LYS  42  -6.874   7.639  -7.138
  312   2HB   LYS  42          1HB       LYS  42  -6.518   9.186  -7.901
  313   1HG   LYS  42          2HG       LYS  42  -4.306   8.104  -8.661
  314   2HG   LYS  42          1HG       LYS  42  -5.054   6.569  -8.229
  315   1HD   LYS  42          2HD       LYS  42  -6.842   6.894  -9.804
  316   2HD   LYS  42          1HD       LYS  42  -6.348   8.559 -10.111
  317   1HE   LYS  42          2HE       LYS  42  -5.512   7.268 -11.943
  318   2HE   LYS  42          1HE       LYS  42  -4.127   7.631 -10.914
  319   1HZ   LYS  42          1HZ       LYS  42  -3.924   5.376 -11.329
  320   2HZ   LYS  42          2HZ       LYS  42  -5.594   5.089 -11.208
  321   3HZ   LYS  42          3HZ       LYS  42  -4.679   5.406  -9.811
  322    H    ALA  43           H        ALA  43  -5.371   7.608  -3.916
  323    HA   ALA  43           HA       ALA  43  -6.907   9.768  -2.708
  324   1HB   ALA  43          1HB       ALA  43  -8.872   8.309  -2.160
  325   2HB   ALA  43          2HB       ALA  43  -8.242   7.113  -3.291
  326   3HB   ALA  43          3HB       ALA  43  -8.743   8.699  -3.875
  327    H    THR  44           H        THR  44  -5.206   9.667  -1.188
  328    HA   THR  44           HA       THR  44  -5.440   7.440   0.767
  329    HB   THR  44           HB       THR  44  -2.751   7.818   0.788
  330    HG1  THR  44           1HG      THR  44  -3.475   8.156  -1.915
  331   1HG2  THR  44          1HG2      THR  44  -4.549   5.926  -0.635
  332   2HG2  THR  44          2HG2      THR  44  -3.176   5.585   0.417
  333   3HG2  THR  44          3HG2      THR  44  -2.916   6.007  -1.273
  334    HA   PRO  45           HA       PRO  45  -5.476  10.212   4.129
  335   1HB   PRO  45          2HB       PRO  45  -2.633   9.309   4.636
  336   2HB   PRO  45          1HB       PRO  45  -3.931   9.648   5.806
  337   1HG   PRO  45          2HG       PRO  45  -3.437   7.163   5.048
  338   2HG   PRO  45          1HG       PRO  45  -5.106   7.729   5.259
  339   1HD   PRO  45          2HD       PRO  45  -3.651   7.111   2.743
  340   2HD   PRO  45          1HD       PRO  45  -5.399   7.108   3.053
  341    HA   PRO  46           HA       PRO  46  -2.288  13.395   2.858
  342   1HB   PRO  46          2HB       PRO  46   0.015  12.676   1.567
  343   2HB   PRO  46          1HB       PRO  46  -0.233  12.429   3.309
  344   1HG   PRO  46          2HG       PRO  46  -0.024  10.417   1.229
  345   2HG   PRO  46          1HG       PRO  46  -0.156  10.185   2.981
  346   1HD   PRO  46          2HD       PRO  46  -2.307  10.129   0.919
  347   2HD   PRO  46          1HD       PRO  46  -2.232   9.314   2.495
  348    H    LYS  47           H        LYS  47  -3.564  11.476   0.449
  349    HA   LYS  47           HA       LYS  47  -3.796  11.714  -1.885
  350   1HB   LYS  47          2HB       LYS  47  -4.441  14.603  -1.627
  351   2HB   LYS  47          1HB       LYS  47  -5.418  13.287  -2.248
  352   1HG   LYS  47          2HG       LYS  47  -6.622  13.792  -0.348
  353   2HG   LYS  47          1HG       LYS  47  -5.544  12.572   0.303
  354   1HD   LYS  47          2HD       LYS  47  -4.516  14.071   1.707
  355   2HD   LYS  47          1HD       LYS  47  -4.379  15.306   0.458
  356   1HE   LYS  47          2HE       LYS  47  -6.856  14.666   2.094
  357   2HE   LYS  47          1HE       LYS  47  -5.830  16.091   2.262
  358   1HZ   LYS  47          1HZ       LYS  47  -7.421  16.919   0.893
  359   2HZ   LYS  47          2HZ       LYS  47  -7.759  15.420   0.169
  360   3HZ   LYS  47          3HZ       LYS  47  -6.376  16.293  -0.287
  361    H    LEU  48           H        LEU  48  -1.023  12.277  -1.011
  362    HA   LEU  48           HA       LEU  48   0.922  13.293  -1.817
  363   1HB   LEU  48          2HB       LEU  48   0.231  12.083  -3.869
  364   2HB   LEU  48          1HB       LEU  48  -0.791  13.429  -4.333
  365    HG   LEU  48           HG       LEU  48   1.609  13.142  -5.402
  366   1HD1  LEU  48          1HD1      LEU  48   1.668  15.433  -5.952
  367   2HD1  LEU  48          2HD1      LEU  48   1.005  15.923  -4.400
  368   3HD1  LEU  48          3HD1      LEU  48  -0.031  15.146  -5.593
  369   1HD2  LEU  48          1HD2      LEU  48   2.343  14.730  -2.940
  370   2HD2  LEU  48          2HD2      LEU  48   3.405  14.251  -4.259
  371   3HD2  LEU  48          3HD2      LEU  48   2.751  13.036  -3.172
  372    H    GLU  49           H        GLU  49   0.921  15.174  -0.564
  373    HA   GLU  49           HA       GLU  49   0.701  17.443  -0.063
  374   1HB   GLU  49          2HB       GLU  49   0.271  17.670  -3.058
  375   2HB   GLU  49          1HB       GLU  49   0.476  19.033  -1.970
  376   1HG   GLU  49          2HG       GLU  49   2.521  16.817  -1.987
  377   2HG   GLU  49          1HG       GLU  49   2.571  18.069  -3.213
  378    H    ASP  50           H        ASP  50  -1.184  19.343  -1.004
  379    HA   ASP  50           HA       ASP  50  -3.816  17.934  -0.937
  380   1HB   ASP  50          2HB       ASP  50  -3.177  18.338   1.430
  381   2HB   ASP  50          1HB       ASP  50  -3.001  20.057   1.077
  382    H    LYS  51           H        LYS  51  -2.828  19.276  -3.161
  383    HA   LYS  51           HA       LYS  51  -4.792  21.417  -3.441
  384   1HB   LYS  51          2HB       LYS  51  -3.296  23.246  -3.756
  385   2HB   LYS  51          1HB       LYS  51  -2.808  22.475  -2.249
  386   1HG   LYS  51          2HG       LYS  51  -1.208  21.080  -3.882
  387   2HG   LYS  51          1HG       LYS  51  -1.421  22.491  -4.918
  388   1HD   LYS  51          2HD       LYS  51  -0.638  23.969  -3.120
  389   2HD   LYS  51          1HD       LYS  51  -0.472  22.587  -2.037
  390   1HE   LYS  51          2HE       LYS  51   1.315  21.670  -3.305
  391   2HE   LYS  51          1HE       LYS  51   0.972  22.708  -4.687
  392   1HZ   LYS  51          1HZ       LYS  51   1.391  24.378  -2.516
  393   2HZ   LYS  51          2HZ       LYS  51   2.406  24.154  -3.859
  394   3HZ   LYS  51          3HZ       LYS  51   2.628  23.219  -2.459
  395    H    SER  52           H        SER  52  -2.370  19.333  -4.719
  396    HA   SER  52           HA       SER  52  -2.286  18.368  -6.868
  397   1HB   SER  52          2HB       SER  52  -4.706  19.394  -7.008
  398   2HB   SER  52          1HB       SER  52  -3.927  20.536  -8.097
  399    HG   SER  52           HG       SER  52  -4.372  17.800  -8.358
  400    HA   PRO  53           HA       PRO  53   0.904  21.782  -7.169
  401   1HB   PRO  53          2HB       PRO  53   2.842  19.776  -7.941
  402   2HB   PRO  53          1HB       PRO  53   2.768  20.687  -6.439
  403   1HG   PRO  53          2HG       PRO  53   2.006  17.933  -6.940
  404   2HG   PRO  53          1HG       PRO  53   2.219  18.768  -5.398
  405   1HD   PRO  53          2HD       PRO  53  -0.223  17.964  -6.481
  406   2HD   PRO  53          1HD       PRO  53  -0.038  19.144  -5.173
  407    H    ASP  54           H        ASP  54   1.771  19.128  -9.307
  408    HA   ASP  54           HA       ASP  54   1.139  20.864 -11.670
  409   1HB   ASP  54          2HB       ASP  54   3.220  18.686 -11.238
  410   2HB   ASP  54          1HB       ASP  54   2.881  19.438 -12.808
  411    H    SER  55           H        SER  55   1.153  17.569 -10.406
  412    HA   SER  55           HA       SER  55  -0.790  16.162 -10.521
  413   1HB   SER  55          2HB       SER  55  -2.285  16.060 -12.363
  414   2HB   SER  55          1HB       SER  55  -2.063  17.754 -11.962
  415    HG   SER  55           HG       SER  55  -1.175  18.051 -13.855
  416    HA   PRO  56           HA       PRO  56   1.536  13.514 -13.707
  417   1HB   PRO  56          2HB       PRO  56   3.960  14.960 -14.543
  418   2HB   PRO  56          1HB       PRO  56   2.692  14.255 -15.563
  419   1HG   PRO  56          2HG       PRO  56   3.078  16.928 -15.313
  420   2HG   PRO  56          1HG       PRO  56   1.490  16.206 -15.633
  421   1HD   PRO  56          2HD       PRO  56   2.620  17.181 -13.023
  422   2HD   PRO  56          1HD       PRO  56   1.006  17.407 -13.709
  423    H    GLU  57           H        GLU  57   3.389  15.804 -11.782
  424    HA   GLU  57           HA       GLU  57   5.532  14.104 -11.001
  425   1HB   GLU  57          2HB       GLU  57   5.317  16.634 -10.652
  426   2HB   GLU  57          1HB       GLU  57   4.285  16.256  -9.275
  427   1HG   GLU  57          2HG       GLU  57   6.031  15.244  -8.065
  428   2HG   GLU  57          1HG       GLU  57   7.018  14.986  -9.503
  429    H    MET  58           H        MET  58   2.212  14.015 -10.261
  430    HA   MET  58           HA       MET  58   2.300  12.954  -7.607
  431   1HB   MET  58          2HB       MET  58   0.187  13.721  -8.473
  432   2HB   MET  58          1HB       MET  58   0.289  12.626  -9.851
  433   1HG   MET  58          2HG       MET  58  -0.136  10.722  -8.526
  434   2HG   MET  58          1HG       MET  58   0.304  11.550  -7.030
  435   1HE   MET  58          1HE       MET  58  -2.240  10.606  -9.561
  436   2HE   MET  58          2HE       MET  58  -2.096  12.269 -10.122
  437   3HE   MET  58          3HE       MET  58  -3.602  11.722  -9.388
  438    H    LYS  59           H        LYS  59   2.652  11.460 -10.810
  439    HA   LYS  59           HA       LYS  59   2.494   8.755  -9.965
  440   1HB   LYS  59          2HB       LYS  59   3.013   9.959 -12.378
  441   2HB   LYS  59          1HB       LYS  59   4.619   9.358 -11.977
  442   1HG   LYS  59          2HG       LYS  59   3.727   7.492 -13.064
  443   2HG   LYS  59          1HG       LYS  59   3.299   7.115 -11.390
  444   1HD   LYS  59          2HD       LYS  59   1.104   8.526 -12.014
  445   2HD   LYS  59          1HD       LYS  59   1.537   8.033 -13.651
  446   1HE   LYS  59          2HE       LYS  59   0.208   6.234 -13.020
  447   2HE   LYS  59          1HE       LYS  59   1.782   5.644 -12.488
  448   1HZ   LYS  59          1HZ       LYS  59   1.216   6.801 -10.304
  449   2HZ   LYS  59          2HZ       LYS  59   0.413   5.345 -10.656
  450   3HZ   LYS  59          3HZ       LYS  59  -0.383   6.831 -10.870
  451    H    ASP  60           H        ASP  60   5.077  11.157  -9.701
  452    HA   ASP  60           HA       ASP  60   7.205   9.463  -8.889
  453   1HB   ASP  60          2HB       ASP  60   7.240  12.029  -9.215
  454   2HB   ASP  60          1HB       ASP  60   6.590  12.128  -7.579
  455    H    PHE  61           H        PHE  61   4.528  10.920  -7.065
  456    HA   PHE  61           HA       PHE  61   5.186   9.817  -4.535
  457   1HB   PHE  61          2HB       PHE  61   3.311  11.521  -5.237
  458   2HB   PHE  61          1HB       PHE  61   2.320  10.092  -5.456
  459    HD1  PHE  61           1HD      PHE  61   0.870   9.763  -3.656
  460    HD2  PHE  61           2HD      PHE  61   4.870  11.170  -2.850
  461    HE1  PHE  61           1HE      PHE  61   0.404   9.757  -1.214
  462    HE2  PHE  61           2HE      PHE  61   4.395  11.123  -0.430
  463    HZ   PHE  61           HZ       PHE  61   2.166  10.426   0.390
  464    H    ARG  62           H        ARG  62   3.693   8.378  -7.399
  465    HA   ARG  62           HA       ARG  62   2.813   5.915  -6.236
  466   1HB   ARG  62          2HB       ARG  62   2.554   6.720  -8.711
  467   2HB   ARG  62          1HB       ARG  62   4.161   6.035  -8.941
  468   1HG   ARG  62          2HG       ARG  62   3.017   3.931  -7.667
  469   2HG   ARG  62          1HG       ARG  62   1.571   4.649  -8.388
  470   1HD   ARG  62          2HD       ARG  62   2.481   4.454 -10.605
  471   2HD   ARG  62          1HD       ARG  62   4.064   3.991  -9.982
  472    HE   ARG  62           HE       ARG  62   2.034   2.154  -9.074
  473   1HH1  ARG  62          1HH2      ARG  62   3.933   3.135 -11.780
  474   2HH1  ARG  62          2HH2      ARG  62   3.942   1.565 -12.510
  475   1HH2  ARG  62          1HH1      ARG  62   2.036   0.101 -10.013
  476   2HH2  ARG  62          2HH1      ARG  62   2.869  -0.152 -11.511
  477    H    HIS  63           H        HIS  63   5.970   7.114  -7.246
  478    HA   HIS  63           HA       HIS  63   7.478   4.752  -7.130
  479   1HB   HIS  63          2HB       HIS  63   8.218   7.213  -7.623
  480   2HB   HIS  63          1HB       HIS  63   8.497   7.314  -5.886
  481    HD1  HIS  63           1HD      HIS  63   9.541   5.203  -8.879
  482    HD2  HIS  63           2HD      HIS  63  10.898   6.180  -5.060
  483    HE1  HIS  63           1HE      HIS  63  11.859   4.202  -8.664
  484    H    GLY  64           H        GLY  64   6.353   6.845  -4.489
  485   1HA   GLY  64          2HA       GLY  64   7.657   5.354  -2.377
  486   2HA   GLY  64          1HA       GLY  64   6.294   6.452  -2.159
  487    H    PHE  65           H        PHE  65   4.380   5.225  -3.783
  488    HA   PHE  65           HA       PHE  65   3.460   3.065  -2.075
  489   1HB   PHE  65          2HB       PHE  65   2.549   4.258  -4.692
  490   2HB   PHE  65          1HB       PHE  65   1.813   2.780  -4.115
  491    HD1  PHE  65           1HD      PHE  65   2.117   6.369  -3.673
  492    HD2  PHE  65           2HD      PHE  65   0.559   2.758  -1.958
  493    HE1  PHE  65           1HE      PHE  65   0.646   7.693  -2.208
  494    HE2  PHE  65           2HE      PHE  65  -0.910   4.099  -0.473
  495    HZ   PHE  65           HZ       PHE  65  -0.854   6.579  -0.599
  496    H    ASP  66           H        ASP  66   4.718   3.343  -5.333
  497    HA   ASP  66           HA       ASP  66   4.582   0.887  -6.428
  498   1HB   ASP  66          2HB       ASP  66   5.839   2.814  -7.377
  499   2HB   ASP  66          1HB       ASP  66   7.170   2.449  -6.277
  500    H    ILE  67           H        ILE  67   6.926   1.819  -3.909
  501    HA   ILE  67           HA       ILE  67   8.157  -0.782  -3.739
  502    HB   ILE  67           HB       ILE  67   8.027   1.195  -1.458
  503   1HG1  ILE  67          2HG1      ILE  67   9.492   1.393  -4.094
  504   2HG1  ILE  67          1HG1      ILE  67   8.648   2.642  -3.188
  505   1HG2  ILE  67          1HG2      ILE  67  10.098   0.223  -0.812
  506   2HG2  ILE  67          2HG2      ILE  67  10.327  -0.536  -2.387
  507   3HG2  ILE  67          3HG2      ILE  67   9.090  -1.143  -1.286
  508   1HD1  ILE  67          1HD1      ILE  67  11.363   1.457  -2.630
  509   2HD1  ILE  67          2HD1      ILE  67  10.463   2.326  -1.385
  510   3HD1  ILE  67          3HD1      ILE  67  10.935   3.152  -2.871
  511    H    LEU  68           H        LEU  68   5.954   0.836  -1.377
  512    HA   LEU  68           HA       LEU  68   5.524  -1.538   0.104
  513   1HB   LEU  68          2HB       LEU  68   3.863  -0.406   1.324
  514   2HB   LEU  68          1HB       LEU  68   4.957   0.860   0.773
  515    HG   LEU  68           HG       LEU  68   3.223   0.932  -1.285
  516   1HD1  LEU  68          1HD1      LEU  68   1.432   0.261   1.061
  517   2HD1  LEU  68          2HD1      LEU  68   1.805  -0.893  -0.211
  518   3HD1  LEU  68          3HD1      LEU  68   0.941   0.587  -0.599
  519   1HD2  LEU  68          1HD2      LEU  68   2.134   2.830  -0.152
  520   2HD2  LEU  68          2HD2      LEU  68   3.862   2.828   0.205
  521   3HD2  LEU  68          3HD2      LEU  68   2.713   2.246   1.408
  522    H    VAL  69           H        VAL  69   3.486  -0.276  -2.593
  523    HA   VAL  69           HA       VAL  69   1.587  -2.407  -2.418
  524    HB   VAL  69           HB       VAL  69   0.890  -1.818  -4.633
  525   1HG1  VAL  69          1HG1      VAL  69   0.684   0.643  -4.441
  526   2HG1  VAL  69          2HG1      VAL  69   1.921   0.634  -3.188
  527   3HG1  VAL  69          3HG1      VAL  69   0.377  -0.162  -2.903
  528   1HG2  VAL  69          1HG2      VAL  69   3.675  -0.701  -4.863
  529   2HG2  VAL  69          2HG2      VAL  69   2.385  -0.086  -5.897
  530   3HG2  VAL  69          3HG2      VAL  69   2.826  -1.791  -5.956
  531    H    GLY  70           H        GLY  70   4.826  -2.320  -3.576
  532   1HA   GLY  70          2HA       GLY  70   4.707  -4.544  -5.394
  533   2HA   GLY  70          1HA       GLY  70   6.167  -3.941  -4.613
  534    H    GLN  71           H        GLN  71   5.430  -4.335  -1.902
  535    HA   GLN  71           HA       GLN  71   5.949  -7.176  -1.720
  536   1HB   GLN  71          2HB       GLN  71   6.288  -6.827   0.569
  537   2HB   GLN  71          1HB       GLN  71   6.720  -5.279  -0.118
  538   1HG   GLN  71          2HG       GLN  71   5.295  -4.496   1.525
  539   2HG   GLN  71          1HG       GLN  71   4.089  -4.795   0.279
  540   1HE2  GLN  71          1HE2      GLN  71   5.840  -7.198   2.245
  541   2HE2  GLN  71          2HE2      GLN  71   4.457  -7.849   2.994
  542    H    ILE  72           H        ILE  72   3.034  -5.240  -1.613
  543    HA   ILE  72           HA       ILE  72   1.360  -7.059  -0.175
  544    HB   ILE  72           HB       ILE  72   0.720  -5.178  -2.477
  545   1HG1  ILE  72          2HG1      ILE  72   0.118  -5.008   0.483
  546   2HG1  ILE  72          1HG1      ILE  72   1.502  -4.247  -0.284
  547   1HG2  ILE  72          1HG2      ILE  72  -1.076  -6.909  -0.760
  548   2HG2  ILE  72          2HG2      ILE  72  -1.020  -6.821  -2.520
  549   3HG2  ILE  72          3HG2      ILE  72  -1.674  -5.474  -1.594
  550   1HD1  ILE  72          1HD1      ILE  72  -1.362  -3.473  -0.357
  551   2HD1  ILE  72          2HD1      ILE  72  -0.504  -3.305  -1.887
  552   3HD1  ILE  72          3HD1      ILE  72   0.071  -2.456  -0.456
  553    H    ASP  73           H        ASP  73   1.788  -6.655  -3.701
  554    HA   ASP  73           HA       ASP  73   0.406  -9.028  -4.463
  555   1HB   ASP  73          2HB       ASP  73   1.378  -8.694  -6.641
  556   2HB   ASP  73          1HB       ASP  73   1.054  -7.098  -5.969
  557    H    ASP  74           H        ASP  74   3.851  -8.468  -3.631
  558    HA   ASP  74           HA       ASP  74   4.701 -11.035  -4.516
  559   1HB   ASP  74          2HB       ASP  74   6.260  -9.235  -3.852
  560   2HB   ASP  74          1HB       ASP  74   5.772  -9.448  -2.166
  561    H    ALA  75           H        ALA  75   2.757 -10.055  -1.835
  562    HA   ALA  75           HA       ALA  75   3.140 -12.495  -0.302
  563   1HB   ALA  75          1HB       ALA  75   0.656 -10.773  -0.291
  564   2HB   ALA  75          2HB       ALA  75   2.118 -10.316   0.584
  565   3HB   ALA  75          3HB       ALA  75   1.272 -11.807   0.998
  566    H    LEU  76           H        LEU  76   1.166 -11.312  -2.914
  567    HA   LEU  76           HA       LEU  76  -0.736 -13.434  -3.179
  568   1HB   LEU  76          2HB       LEU  76  -0.529 -11.126  -4.391
  569   2HB   LEU  76          1HB       LEU  76   0.552 -11.955  -5.501
  570    HG   LEU  76           HG       LEU  76  -2.221 -13.009  -4.907
  571   1HD1  LEU  76          1HD1      LEU  76  -2.607 -10.758  -5.682
  572   2HD1  LEU  76          2HD1      LEU  76  -2.904 -11.841  -7.040
  573   3HD1  LEU  76          3HD1      LEU  76  -1.394 -10.935  -6.950
  574   1HD2  LEU  76          1HD2      LEU  76  -0.219 -13.371  -7.154
  575   2HD2  LEU  76          2HD2      LEU  76  -1.897 -13.888  -7.278
  576   3HD2  LEU  76          3HD2      LEU  76  -0.847 -14.604  -6.061
  577    H    LYS  77           H        LYS  77   2.528 -12.916  -4.311
  578    HA   LYS  77           HA       LYS  77   2.865 -15.244  -5.893
  579   1HB   LYS  77          2HB       LYS  77   4.276 -13.053  -5.565
  580   2HB   LYS  77          1HB       LYS  77   5.073 -13.963  -4.292
  581   1HG   LYS  77          2HG       LYS  77   5.609 -15.739  -5.949
  582   2HG   LYS  77          1HG       LYS  77   4.859 -14.748  -7.201
  583   1HD   LYS  77          2HD       LYS  77   7.061 -14.027  -7.449
  584   2HD   LYS  77          1HD       LYS  77   6.534 -12.869  -6.218
  585   1HE   LYS  77          2HE       LYS  77   8.666 -13.859  -5.549
  586   2HE   LYS  77          1HE       LYS  77   7.398 -14.418  -4.459
  587   1HZ   LYS  77          1HZ       LYS  77   7.508 -16.515  -5.251
  588   2HZ   LYS  77          2HZ       LYS  77   9.100 -16.059  -5.627
  589   3HZ   LYS  77          3HZ       LYS  77   7.900 -16.035  -6.829
  590    H    LEU  78           H        LEU  78   3.579 -14.575  -2.511
  591    HA   LEU  78           HA       LEU  78   4.702 -17.097  -1.858
  592   1HB   LEU  78          2HB       LEU  78   3.755 -14.642  -0.568
  593   2HB   LEU  78          1HB       LEU  78   3.570 -16.047   0.450
  594    HG   LEU  78           HG       LEU  78   5.996 -16.612  -0.003
  595   1HD1  LEU  78          1HD1      LEU  78   7.377 -14.696  -0.869
  596   2HD1  LEU  78          2HD1      LEU  78   5.879 -13.876  -1.307
  597   3HD1  LEU  78          3HD1      LEU  78   6.309 -15.402  -2.082
  598   1HD2  LEU  78          1HD2      LEU  78   6.844 -15.035   1.591
  599   2HD2  LEU  78          2HD2      LEU  78   5.156 -15.317   2.011
  600   3HD2  LEU  78          3HD2      LEU  78   5.616 -13.847   1.159
  601    H    ALA  79           H        ALA  79   1.398 -15.834  -1.224
  602    HA   ALA  79           HA       ALA  79   0.241 -18.073  -0.072
  603   1HB   ALA  79          1HB       ALA  79  -1.857 -17.212  -0.728
  604   2HB   ALA  79          2HB       ALA  79  -1.220 -16.557  -2.237
  605   3HB   ALA  79          3HB       ALA  79  -0.817 -15.789  -0.703
  606    H    ASN  80           H        ASN  80   0.803 -17.521  -3.554
  607    HA   ASN  80           HA       ASN  80  -0.460 -19.938  -4.449
  608   1HB   ASN  80          2HB       ASN  80   1.976 -18.827  -5.835
  609   2HB   ASN  80          1HB       ASN  80   0.494 -19.477  -6.537
  610   1HD2  ASN  80          1HD2      ASN  80  -1.198 -17.829  -4.613
  611   2HD2  ASN  80          2HD2      ASN  80  -1.129 -16.252  -5.223
  612    H    GLU  81           H        GLU  81   2.613 -19.249  -2.953
  613    HA   GLU  81           HA       GLU  81   3.706 -21.922  -3.577
  614   1HB   GLU  81          2HB       GLU  81   5.192 -19.925  -3.421
  615   2HB   GLU  81          1HB       GLU  81   4.765 -19.764  -1.717
  616   1HG   GLU  81          2HG       GLU  81   5.909 -21.717  -1.104
  617   2HG   GLU  81          1HG       GLU  81   5.844 -22.391  -2.732
  618    H    GLY  82           H        GLY  82   1.295 -20.993  -1.652
  619   1HA   GLY  82          2HA       GLY  82   0.223 -22.359  -0.020
  620   2HA   GLY  82          1HA       GLY  82   1.726 -23.246   0.200
  621    H    LYS  83           H        LYS  83   1.446 -19.697   0.395
  622    HA   LYS  83           HA       LYS  83   2.418 -19.870   3.211
  623   1HB   LYS  83          2HB       LYS  83   2.111 -17.531   1.314
  624   2HB   LYS  83          1HB       LYS  83   2.777 -17.421   2.932
  625   1HG   LYS  83          2HG       LYS  83   3.991 -18.590   0.467
  626   2HG   LYS  83          1HG       LYS  83   4.740 -17.581   1.691
  627   1HD   LYS  83          2HD       LYS  83   4.683 -19.554   3.250
  628   2HD   LYS  83          1HD       LYS  83   4.130 -20.540   1.888
  629   1HE   LYS  83          2HE       LYS  83   6.562 -20.715   2.116
  630   2HE   LYS  83          1HE       LYS  83   6.149 -19.885   0.616
  631   1HZ   LYS  83          1HZ       LYS  83   6.716 -18.415   3.119
  632   2HZ   LYS  83          2HZ       LYS  83   6.695 -17.818   1.527
  633   3HZ   LYS  83          3HZ       LYS  83   7.946 -18.849   2.035
  634    H    VAL  84           H        VAL  84   0.242 -20.698   3.713
  635    HA   VAL  84           HA       VAL  84  -2.092 -19.055   3.595
  636    HB   VAL  84           HB       VAL  84  -1.357 -21.156   5.657
  637   1HG1  VAL  84          1HG1      VAL  84  -3.989 -19.887   4.853
  638   2HG1  VAL  84          2HG1      VAL  84  -3.217 -19.834   6.438
  639   3HG1  VAL  84          3HG1      VAL  84  -3.870 -21.353   5.826
  640   1HG2  VAL  84          1HG2      VAL  84  -3.111 -21.550   3.228
  641   2HG2  VAL  84          2HG2      VAL  84  -2.318 -22.770   4.222
  642   3HG2  VAL  84          3HG2      VAL  84  -1.362 -21.772   3.129
  643    H    LYS  85           H        LYS  85   0.021 -19.683   6.427
  644    HA   LYS  85           HA       LYS  85  -1.130 -17.491   7.926
  645   1HB   LYS  85          2HB       LYS  85   1.132 -18.051   9.305
  646   2HB   LYS  85          1HB       LYS  85  -0.317 -19.038   9.417
  647   1HG   LYS  85          2HG       LYS  85   0.568 -20.766   8.161
  648   2HG   LYS  85          1HG       LYS  85   1.627 -19.719   7.237
  649   1HD   LYS  85          2HD       LYS  85   2.138 -20.036  10.185
  650   2HD   LYS  85          1HD       LYS  85   2.620 -21.331   9.094
  651   1HE   LYS  85          2HE       LYS  85   4.513 -19.856   9.363
  652   2HE   LYS  85          1HE       LYS  85   3.887 -19.626   7.733
  653   1HZ   LYS  85          1HZ       LYS  85   2.725 -17.666   8.464
  654   2HZ   LYS  85          2HZ       LYS  85   4.369 -17.527   8.870
  655   3HZ   LYS  85          3HZ       LYS  85   3.225 -17.912  10.066
  656    H    GLU  86           H        GLU  86   2.019 -17.977   6.368
  657    HA   GLU  86           HA       GLU  86   3.228 -15.544   7.009
  658   1HB   GLU  86          2HB       GLU  86   3.545 -17.699   5.050
  659   2HB   GLU  86          1HB       GLU  86   4.051 -16.148   4.370
  660   1HG   GLU  86          2HG       GLU  86   5.452 -15.850   6.502
  661   2HG   GLU  86          1HG       GLU  86   5.105 -17.548   6.835
  662    H    ALA  87           H        ALA  87   1.057 -16.262   4.250
  663    HA   ALA  87           HA       ALA  87   1.230 -13.655   3.079
  664   1HB   ALA  87          1HB       ALA  87   0.251 -15.643   1.932
  665   2HB   ALA  87          2HB       ALA  87  -0.810 -14.235   1.883
  666   3HB   ALA  87          3HB       ALA  87  -1.138 -15.548   3.015
  667    H    GLN  88           H        GLN  88  -1.124 -15.018   5.406
  668    HA   GLN  88           HA       GLN  88  -2.684 -12.626   5.659
  669   1HB   GLN  88          2HB       GLN  88  -2.260 -15.072   7.372
  670   2HB   GLN  88          1HB       GLN  88  -3.148 -13.699   8.033
  671   1HG   GLN  88          2HG       GLN  88  -4.689 -13.762   6.117
  672   2HG   GLN  88          1HG       GLN  88  -3.813 -15.134   5.449
  673   1HE2  GLN  88          1HE2      GLN  88  -5.238 -14.266   8.657
  674   2HE2  GLN  88          2HE2      GLN  88  -5.929 -15.792   8.913
  675    H    ALA  89           H        ALA  89   0.134 -13.846   7.491
  676    HA   ALA  89           HA       ALA  89   0.251 -11.695   9.374
  677   1HB   ALA  89          1HB       ALA  89   1.540 -13.876   9.500
  678   2HB   ALA  89          2HB       ALA  89   2.502 -12.436   9.832
  679   3HB   ALA  89          3HB       ALA  89   2.617 -13.230   8.261
  680    H    ALA  90           H        ALA  90   1.687 -12.126   6.150
  681    HA   ALA  90           HA       ALA  90   3.189  -9.686   6.124
  682   1HB   ALA  90          1HB       ALA  90   3.529 -11.380   4.385
  683   2HB   ALA  90          2HB       ALA  90   2.999  -9.878   3.628
  684   3HB   ALA  90          3HB       ALA  90   1.857 -11.203   3.852
  685    H    ALA  91           H        ALA  91  -0.157 -10.467   5.811
  686    HA   ALA  91           HA       ALA  91  -1.098  -8.082   4.552
  687   1HB   ALA  91          1HB       ALA  91  -3.193  -8.950   5.014
  688   2HB   ALA  91          2HB       ALA  91  -2.770  -9.405   6.658
  689   3HB   ALA  91          3HB       ALA  91  -2.249 -10.397   5.301
  690    H    GLU  92           H        GLU  92  -0.682  -8.964   7.982
  691    HA   GLU  92           HA       GLU  92  -1.559  -6.458   9.043
  692   1HB   GLU  92          2HB       GLU  92   0.015  -8.793  10.068
  693   2HB   GLU  92          1HB       GLU  92   0.107  -7.295  10.992
  694   1HG   GLU  92          2HG       GLU  92  -2.191  -7.294  11.476
  695   2HG   GLU  92          1HG       GLU  92  -2.577  -8.375  10.137
  696    H    GLN  93           H        GLN  93   1.224  -7.275   7.268
  697    HA   GLN  93           HA       GLN  93   2.985  -5.274   8.449
  698   1HB   GLN  93          2HB       GLN  93   4.567  -6.192   7.054
  699   2HB   GLN  93          1HB       GLN  93   3.374  -7.446   6.792
  700   1HG   GLN  93          2HG       GLN  93   4.035  -6.845   4.617
  701   2HG   GLN  93          1HG       GLN  93   2.539  -5.947   4.798
  702   1HE2  GLN  93          1HE2      GLN  93   4.039  -4.079   6.746
  703   2HE2  GLN  93          2HE2      GLN  93   4.898  -3.036   5.706
  704    H    LEU  94           H        LEU  94   0.804  -5.469   5.678
  705    HA   LEU  94           HA       LEU  94   1.368  -2.783   4.841
  706   1HB   LEU  94          2HB       LEU  94   0.104  -4.909   3.662
  707   2HB   LEU  94          1HB       LEU  94  -1.278  -3.912   4.106
  708    HG   LEU  94           HG       LEU  94  -0.624  -3.301   1.881
  709   1HD1  LEU  94          1HD1      LEU  94   0.722  -1.095   3.368
  710   2HD1  LEU  94          2HD1      LEU  94  -0.957  -1.459   3.757
  711   3HD1  LEU  94          3HD1      LEU  94  -0.505  -1.029   2.110
  712   1HD2  LEU  94          1HD2      LEU  94   2.201  -2.820   2.899
  713   2HD2  LEU  94          2HD2      LEU  94   1.636  -2.674   1.259
  714   3HD2  LEU  94          3HD2      LEU  94   1.695  -4.258   2.027
  715    H    LYS  95           H        LYS  95  -0.997  -4.193   7.031
  716    HA   LYS  95           HA       LYS  95  -2.657  -1.912   7.403
  717   1HB   LYS  95          2HB       LYS  95  -1.745  -4.035   9.373
  718   2HB   LYS  95          1HB       LYS  95  -2.973  -2.829   9.752
  719   1HG   LYS  95          2HG       LYS  95  -4.450  -3.659   8.049
  720   2HG   LYS  95          1HG       LYS  95  -3.183  -4.661   7.355
  721   1HD   LYS  95          2HD       LYS  95  -3.877  -6.396   8.663
  722   2HD   LYS  95          1HD       LYS  95  -3.384  -5.491  10.087
  723   1HE   LYS  95          2HE       LYS  95  -5.699  -4.317   9.875
  724   2HE   LYS  95          1HE       LYS  95  -6.114  -5.672   8.822
  725   1HZ   LYS  95          1HZ       LYS  95  -5.686  -5.613  11.683
  726   2HZ   LYS  95          2HZ       LYS  95  -4.969  -6.929  10.881
  727   3HZ   LYS  95          3HZ       LYS  95  -6.641  -6.657  10.747
  728    H    THR  96           H        THR  96   0.020  -2.939   9.528
  729    HA   THR  96           HA       THR  96   0.268  -0.374  10.782
  730    HB   THR  96           HB       THR  96   2.499  -2.404  10.644
  731    HG1  THR  96           1HG      THR  96   1.334  -3.272  12.541
  732   1HG2  THR  96          1HG2      THR  96   3.003  -1.587  12.852
  733   2HG2  THR  96          2HG2      THR  96   1.486  -0.689  12.925
  734   3HG2  THR  96          3HG2      THR  96   2.761  -0.178  11.820
  735    H    THR  97           H        THR  97   1.534  -1.606   7.750
  736    HA   THR  97           HA       THR  97   3.890  -0.110   7.461
  737    HB   THR  97           HB       THR  97   1.730  -0.597   5.396
  738    HG1  THR  97           1HG      THR  97   3.221  -2.144   4.691
  739   1HG2  THR  97          1HG2      THR  97   4.420   0.732   5.160
  740   2HG2  THR  97          2HG2      THR  97   2.866   1.274   4.528
  741   3HG2  THR  97          3HG2      THR  97   3.688  -0.098   3.786
  742    H    ILE  98           H        ILE  98   0.586   0.930   6.606
  743    HA   ILE  98           HA       ILE  98   1.195   3.651   6.094
  744    HB   ILE  98           HB       ILE  98  -1.294   2.170   6.939
  745   1HG1  ILE  98          2HG1      ILE  98  -1.657   3.543   4.463
  746   2HG1  ILE  98          1HG1      ILE  98  -0.028   2.883   4.391
  747   1HG2  ILE  98          1HG2      ILE  98  -0.905   5.114   6.931
  748   2HG2  ILE  98          2HG2      ILE  98  -2.050   4.138   7.832
  749   3HG2  ILE  98          3HG2      ILE  98  -2.360   4.531   6.144
  750   1HD1  ILE  98          1HD1      ILE  98  -1.712   1.299   3.507
  751   2HD1  ILE  98          2HD1      ILE  98  -2.521   1.295   5.075
  752   3HD1  ILE  98          3HD1      ILE  98  -0.888   0.647   4.924
  753    H    ARG  99           H        ARG  99  -0.148   2.249   9.145
  754    HA   ARG  99           HA       ARG  99   0.011   4.675  10.580
  755   1HB   ARG  99          2HB       ARG  99  -0.972   2.272  11.136
  756   2HB   ARG  99          1HB       ARG  99   0.573   2.046  11.942
  757   1HG   ARG  99          2HG       ARG  99  -0.853   4.611  12.575
  758   2HG   ARG  99          1HG       ARG  99  -1.598   3.139  13.150
  759   1HD   ARG  99          2HD       ARG  99   1.312   3.794  13.630
  760   2HD   ARG  99          1HD       ARG  99   0.028   4.204  14.768
  761    HE   ARG  99           HE       ARG  99  -0.130   1.418  14.098
  762   1HH1  ARG  99          1HH2      ARG  99   1.744   3.751  15.812
  763   2HH1  ARG  99          2HH2      ARG  99   2.292   2.626  17.011
  764   1HH2  ARG  99          1HH1      ARG  99   0.572  -0.064  15.657
  765   2HH2  ARG  99          2HH1      ARG  99   1.628   0.468  16.924
  766    H    ALA 100           H        ALA 100   2.463   2.044  10.455
  767    HA   ALA 100           HA       ALA 100   4.364   3.354  12.144
  768   1HB   ALA 100          1HB       ALA 100   4.738   1.050  11.735
  769   2HB   ALA 100          2HB       ALA 100   6.041   1.862  10.870
  770   3HB   ALA 100          3HB       ALA 100   4.638   1.259   9.987
  771    H    TYR 101           H        TYR 101   3.718   3.631   8.727
  772    HA   TYR 101           HA       TYR 101   6.082   5.135   8.022
  773   1HB   TYR 101          2HB       TYR 101   3.413   4.557   6.756
  774   2HB   TYR 101          1HB       TYR 101   4.388   5.853   6.077
  775    HD1  TYR 101           1HD      TYR 101   5.881   2.849   7.654
  776    HD2  TYR 101           2HD      TYR 101   4.760   4.732   3.946
  777    HE1  TYR 101           1HE      TYR 101   7.243   1.204   6.409
  778    HE2  TYR 101           2HE      TYR 101   6.131   3.076   2.708
  779    HH   TYR 101           HH       TYR 101   8.411   1.093   4.186
  780    H    ASN 102           H        ASN 102   3.576   5.805  10.026
  781    HA   ASN 102           HA       ASN 102   3.123   7.839  11.194
  782   1HB   ASN 102          2HB       ASN 102   5.209   8.902  10.075
  783   2HB   ASN 102          1HB       ASN 102   4.116   9.401   8.783
  784   1HD2  ASN 102          1HD2      ASN 102   2.209  10.746   9.420
  785   2HD2  ASN 102          2HD2      ASN 102   2.357  11.777  10.766
  786    H    GLN 103           H        GLN 103   1.168   6.491  10.271
  787    HA   GLN 103           HA       GLN 103  -0.802   6.391   9.066
  788   1HB   GLN 103          2HB       GLN 103  -0.364   9.197   9.930
  789   2HB   GLN 103          1HB       GLN 103  -1.651   8.938   8.747
  790   1HG   GLN 103          2HG       GLN 103  -1.402   7.337  11.310
  791   2HG   GLN 103          1HG       GLN 103  -2.382   8.809  11.191
  792   1HE2  GLN 103          1HE2      GLN 103  -2.312   7.157   8.214
  793   2HE2  GLN 103          2HE2      GLN 103  -3.768   6.319   8.360
  794    H    LYS 104           H        LYS 104   1.151   5.912   7.545
  795    HA   LYS 104           HA       LYS 104   1.965   5.776   5.428
  796   1HB   LYS 104          2HB       LYS 104  -0.209   5.364   4.745
  797   2HB   LYS 104          1HB       LYS 104  -0.739   6.991   5.076
  798   1HG   LYS 104          2HG       LYS 104  -0.474   6.391   2.630
  799   2HG   LYS 104          1HG       LYS 104   0.390   7.843   3.127
  800   1HD   LYS 104          2HD       LYS 104   2.505   6.640   3.188
  801   2HD   LYS 104          1HD       LYS 104   1.676   5.084   3.106
  802   1HE   LYS 104          2HE       LYS 104   2.774   6.090   0.942
  803   2HE   LYS 104          1HE       LYS 104   1.191   5.334   0.846
  804   1HZ   LYS 104          1HZ       LYS 104   1.337   7.530  -0.262
  805   2HZ   LYS 104          2HZ       LYS 104   1.596   8.236   1.260
  806   3HZ   LYS 104          3HZ       LYS 104   0.131   7.440   0.927
  807    H    TYR 105           H        TYR 105   0.457   8.960   4.872
  808    HA   TYR 105           HA       TYR 105   3.136  10.201   5.102
  809   1HB   TYR 105          2HB       TYR 105   2.000   9.444   2.585
  810   2HB   TYR 105          1HB       TYR 105   1.927  11.203   2.658
  811    HD1  TYR 105           1HD      TYR 105   4.189   8.273   3.003
  812    HD2  TYR 105           2HD      TYR 105   3.906  12.519   2.420
  813    HE1  TYR 105           1HE      TYR 105   6.607   8.363   2.499
  814    HE2  TYR 105           2HE      TYR 105   6.333  12.610   1.910
  815    HH   TYR 105           HH       TYR 105   8.102  10.276   0.975
  816    H    GLY 106           H        GLY 106   0.149  10.276   6.132
  817   1HA   GLY 106          2HA       GLY 106  -0.600  13.049   5.614
  818   2HA   GLY 106          1HA       GLY 106  -1.390  11.960   6.754
  Start of MODEL    6
    1    HA   ALA   1           HA       ALA   1 -14.623  11.735   6.943
    2   1HB   ALA   1          1HB       ALA   1 -13.888   9.965   4.613
    3   2HB   ALA   1          2HB       ALA   1 -15.579  10.235   5.034
    4   3HB   ALA   1          3HB       ALA   1 -14.486   9.508   6.210
    5    H    ASP   2           H        ASP   2 -12.808  13.535   5.053
    6    HA   ASP   2           HA       ASP   2 -10.538  14.015   4.851
    7   1HB   ASP   2          2HB       ASP   2 -10.750  14.398   7.195
    8   2HB   ASP   2          1HB       ASP   2 -10.635  12.680   7.557
    9    H    LEU   3           H        LEU   3  -8.334  13.104   4.793
   10    HA   LEU   3           HA       LEU   3  -8.192  10.775   3.179
   11   1HB   LEU   3          2HB       LEU   3  -6.210  12.485   4.634
   12   2HB   LEU   3          1HB       LEU   3  -5.646  10.924   4.058
   13    HG   LEU   3           HG       LEU   3  -5.341  12.959   2.507
   14   1HD1  LEU   3          1HD1      LEU   3  -6.529  10.318   1.695
   15   2HD1  LEU   3          2HD1      LEU   3  -4.873  10.888   1.543
   16   3HD1  LEU   3          3HD1      LEU   3  -6.123  11.525   0.478
   17   1HD2  LEU   3          1HD2      LEU   3  -7.871  13.589   2.914
   18   2HD2  LEU   3          2HD2      LEU   3  -8.166  12.444   1.605
   19   3HD2  LEU   3          3HD2      LEU   3  -7.140  13.847   1.336
   20    H    GLU   4           H        GLU   4  -8.209  11.098   6.655
   21    HA   GLU   4           HA       GLU   4  -6.925   8.692   7.390
   22   1HB   GLU   4          2HB       GLU   4  -8.066   8.862   9.476
   23   2HB   GLU   4          1HB       GLU   4  -7.874  10.525   8.923
   24   1HG   GLU   4          2HG       GLU   4 -10.215  10.232   7.851
   25   2HG   GLU   4          1HG       GLU   4 -10.360   8.811   8.885
   26    H    ASP   5           H        ASP   5  -9.830   9.169   5.644
   27    HA   ASP   5           HA       ASP   5 -11.046   6.628   6.369
   28   1HB   ASP   5          2HB       ASP   5 -12.551   8.324   5.655
   29   2HB   ASP   5          1HB       ASP   5 -11.592   8.680   4.227
   30    H    ASN   6           H        ASN   6  -9.092   7.776   3.574
   31    HA   ASN   6           HA       ASN   6  -9.254   5.442   2.000
   32   1HB   ASN   6          2HB       ASN   6  -7.893   6.888   0.830
   33   2HB   ASN   6          1HB       ASN   6  -7.365   7.693   2.304
   34   1HD2  ASN   6          1HD2      ASN   6  -5.842   6.055   3.676
   35   2HD2  ASN   6          2HD2      ASN   6  -4.615   5.336   2.759
   36    H    TRP   7           H        TRP   7  -7.337   6.198   4.842
   37    HA   TRP   7           HA       TRP   7  -5.844   3.784   5.062
   38   1HB   TRP   7          2HB       TRP   7  -6.687   6.019   6.836
   39   2HB   TRP   7          1HB       TRP   7  -6.334   4.526   7.688
   40    HD1  TRP   7           HD       TRP   7  -4.700   6.643   4.903
   41    HE1  TRP   7           1HE      TRP   7  -2.159   6.724   5.313
   42    HE3  TRP   7           3HE      TRP   7  -4.390   3.681   9.047
   43    HZ2  TRP   7           2HZ      TRP   7  -0.249   5.676   7.156
   44    HZ3  TRP   7           3HZ      TRP   7  -2.192   3.235  10.107
   45    HH2  TRP   7           HH       TRP   7  -0.121   4.225   9.164
   46    H    GLU   8           H        GLU   8  -9.132   4.679   6.035
   47    HA   GLU   8           HA       GLU   8  -9.762   2.381   7.576
   48   1HB   GLU   8          2HB       GLU   8 -11.143   4.501   7.318
   49   2HB   GLU   8          1HB       GLU   8 -11.714   3.826   5.796
   50   1HG   GLU   8          2HG       GLU   8 -12.471   1.790   7.026
   51   2HG   GLU   8          1HG       GLU   8 -12.007   2.573   8.536
   52    H    THR   9           H        THR   9 -10.017   2.959   4.066
   53    HA   THR   9           HA       THR   9 -11.293   0.516   3.376
   54    HB   THR   9           HB       THR   9  -9.100   1.770   1.693
   55    HG1  THR   9           1HG      THR   9 -10.314   3.457   1.363
   56   1HG2  THR   9          1HG2      THR   9 -11.780   0.549   0.964
   57   2HG2  THR   9          2HG2      THR   9 -10.255  -0.337   0.957
   58   3HG2  THR   9          3HG2      THR   9 -10.493   1.019  -0.147
   59    H    LEU  10           H        LEU  10  -7.848   1.328   3.536
   60    HA   LEU  10           HA       LEU  10  -6.871  -1.321   3.077
   61   1HB   LEU  10          2HB       LEU  10  -5.815   1.286   4.084
   62   2HB   LEU  10          1HB       LEU  10  -4.883  -0.136   4.540
   63    HG   LEU  10           HG       LEU  10  -4.933  -0.754   2.041
   64   1HD1  LEU  10          1HD1      LEU  10  -6.775   0.957   1.588
   65   2HD1  LEU  10          2HD1      LEU  10  -5.419   0.966   0.464
   66   3HD1  LEU  10          3HD1      LEU  10  -5.527   2.191   1.728
   67   1HD2  LEU  10          1HD2      LEU  10  -2.934   0.097   3.176
   68   2HD2  LEU  10          2HD2      LEU  10  -3.505   1.752   2.969
   69   3HD2  LEU  10          3HD2      LEU  10  -3.052   0.792   1.560
   70    H    ASN  11           H        ASN  11  -8.047   0.329   5.923
   71    HA   ASN  11           HA       ASN  11  -6.880  -1.327   7.909
   72   1HB   ASN  11          2HB       ASN  11  -8.243   0.827   8.200
   73   2HB   ASN  11          1HB       ASN  11  -9.677  -0.204   8.069
   74   1HD2  ASN  11          1HD2      ASN  11  -7.313  -2.133   9.420
   75   2HD2  ASN  11          2HD2      ASN  11  -7.622  -1.871  11.064
   76    H    ASP  12           H        ASP  12 -10.243  -1.477   6.787
   77    HA   ASP  12           HA       ASP  12 -10.896  -3.982   7.891
   78   1HB   ASP  12          2HB       ASP  12 -11.842  -2.608   5.388
   79   2HB   ASP  12          1HB       ASP  12 -12.565  -4.108   5.963
   80    H    ASN  13           H        ASN  13  -8.900  -3.213   5.147
   81    HA   ASN  13           HA       ASN  13  -9.254  -5.768   3.861
   82   1HB   ASN  13          2HB       ASN  13  -7.215  -3.575   3.641
   83   2HB   ASN  13          1HB       ASN  13  -6.840  -5.142   2.930
   84   1HD2  ASN  13          1HD2      ASN  13  -9.017  -2.357   2.722
   85   2HD2  ASN  13          2HD2      ASN  13  -9.698  -2.776   1.226
   86    H    LEU  14           H        LEU  14  -6.427  -4.571   5.725
   87    HA   LEU  14           HA       LEU  14  -5.188  -7.049   6.161
   88   1HB   LEU  14          2HB       LEU  14  -5.352  -4.495   7.748
   89   2HB   LEU  14          1HB       LEU  14  -4.481  -5.878   8.406
   90    HG   LEU  14           HG       LEU  14  -3.041  -4.258   7.123
   91   1HD1  LEU  14          1HD1      LEU  14  -2.982  -6.786   5.531
   92   2HD1  LEU  14          2HD1      LEU  14  -2.759  -6.917   7.273
   93   3HD1  LEU  14          3HD1      LEU  14  -1.671  -5.920   6.318
   94   1HD2  LEU  14          1HD2      LEU  14  -3.227  -4.117   4.720
   95   2HD2  LEU  14          2HD2      LEU  14  -4.799  -3.738   5.403
   96   3HD2  LEU  14          3HD2      LEU  14  -4.510  -5.323   4.692
   97    H    LYS  15           H        LYS  15  -7.957  -5.598   7.714
   98    HA   LYS  15           HA       LYS  15  -8.145  -7.230  10.020
   99   1HB   LYS  15          2HB       LYS  15  -9.526  -5.174   9.381
  100   2HB   LYS  15          1HB       LYS  15 -10.481  -6.243   8.362
  101   1HG   LYS  15          2HG       LYS  15 -10.854  -7.680  10.433
  102   2HG   LYS  15          1HG       LYS  15 -10.157  -6.355  11.363
  103   1HD   LYS  15          2HD       LYS  15 -12.405  -5.753  11.459
  104   2HD   LYS  15          1HD       LYS  15 -11.932  -4.896   9.990
  105   1HE   LYS  15          2HE       LYS  15 -13.875  -6.021   9.315
  106   2HE   LYS  15          1HE       LYS  15 -12.609  -7.126   8.783
  107   1HZ   LYS  15          1HZ       LYS  15 -12.887  -8.333  10.892
  108   2HZ   LYS  15          2HZ       LYS  15 -14.295  -8.345   9.942
  109   3HZ   LYS  15          3HZ       LYS  15 -14.186  -7.317  11.291
  110    H    VAL  16           H        VAL  16  -9.579  -7.745   6.766
  111    HA   VAL  16           HA       VAL  16 -10.675 -10.281   7.519
  112    HB   VAL  16           HB       VAL  16 -10.362  -8.693   4.999
  113   1HG1  VAL  16          1HG1      VAL  16 -11.324 -10.617   3.687
  114   2HG1  VAL  16          2HG1      VAL  16 -10.943 -11.668   5.050
  115   3HG1  VAL  16          3HG1      VAL  16  -9.648 -10.856   4.175
  116   1HG2  VAL  16          1HG2      VAL  16 -12.788  -9.140   4.877
  117   2HG2  VAL  16          2HG2      VAL  16 -12.338  -8.474   6.447
  118   3HG2  VAL  16          3HG2      VAL  16 -12.660 -10.199   6.282
  119    H    ILE  17           H        ILE  17  -7.808  -9.613   5.381
  120    HA   ILE  17           HA       ILE  17  -7.084 -12.311   5.110
  121    HB   ILE  17           HB       ILE  17  -4.665 -10.667   5.556
  122   1HG1  ILE  17          2HG1      ILE  17  -6.805  -9.654   3.648
  123   2HG1  ILE  17          1HG1      ILE  17  -6.216  -8.821   5.074
  124   1HG2  ILE  17          1HG2      ILE  17  -4.153 -11.407   3.313
  125   2HG2  ILE  17          2HG2      ILE  17  -5.839 -11.825   3.010
  126   3HG2  ILE  17          3HG2      ILE  17  -4.891 -12.763   4.166
  127   1HD1  ILE  17          1HD1      ILE  17  -4.037  -9.540   3.236
  128   2HD1  ILE  17          2HD1      ILE  17  -4.430  -7.991   3.974
  129   3HD1  ILE  17          3HD1      ILE  17  -5.248  -8.496   2.501
  130    H    GLU  18           H        GLU  18  -6.279 -10.096   7.757
  131    HA   GLU  18           HA       GLU  18  -4.765 -11.928   9.333
  132   1HB   GLU  18          2HB       GLU  18  -6.634  -9.686  10.174
  133   2HB   GLU  18          1HB       GLU  18  -5.521 -10.505  11.264
  134   1HG   GLU  18          2HG       GLU  18  -4.387  -9.337   8.734
  135   2HG   GLU  18          1HG       GLU  18  -4.844  -8.228  10.019
  136    H    LYS  19           H        LYS  19  -8.185 -11.583   8.700
  137    HA   LYS  19           HA       LYS  19  -8.770 -13.899  10.519
  138   1HB   LYS  19          2HB       LYS  19 -10.458 -11.457   9.905
  139   2HB   LYS  19          1HB       LYS  19 -11.003 -12.833  10.865
  140   1HG   LYS  19          2HG       LYS  19  -9.625 -12.301  12.670
  141   2HG   LYS  19          1HG       LYS  19  -8.432 -11.490  11.661
  142   1HD   LYS  19          2HD       LYS  19  -9.752  -9.939  13.132
  143   2HD   LYS  19          1HD       LYS  19  -9.847  -9.541  11.417
  144   1HE   LYS  19          2HE       LYS  19 -12.055  -9.533  12.742
  145   2HE   LYS  19          1HE       LYS  19 -12.050 -10.447  11.236
  146   1HZ   LYS  19          1HZ       LYS  19 -11.671 -11.554  13.966
  147   2HZ   LYS  19          2HZ       LYS  19 -11.578 -12.455  12.528
  148   3HZ   LYS  19          3HZ       LYS  19 -13.047 -11.738  12.991
  149    H    ALA  20           H        ALA  20  -8.084 -14.006   7.675
  150    HA   ALA  20           HA       ALA  20 -10.398 -14.116   6.022
  151   1HB   ALA  20          1HB       ALA  20  -8.456 -14.140   4.748
  152   2HB   ALA  20          2HB       ALA  20  -8.833 -15.859   4.733
  153   3HB   ALA  20          3HB       ALA  20  -7.623 -15.232   5.852
  154    H    ASP  21           H        ASP  21  -9.104 -16.422   8.300
  155    HA   ASP  21           HA       ASP  21 -10.057 -18.392   9.149
  156   1HB   ASP  21          2HB       ASP  21 -12.398 -18.116   7.268
  157   2HB   ASP  21          1HB       ASP  21 -12.356 -18.760   8.909
  158    H    ASN  22           H        ASN  22 -10.088 -17.834   5.667
  159    HA   ASN  22           HA       ASN  22  -8.830 -20.468   5.262
  160   1HB   ASN  22          2HB       ASN  22 -11.266 -19.882   3.581
  161   2HB   ASN  22          1HB       ASN  22 -10.447 -21.416   3.847
  162   1HD2  ASN  22          1HD2      ASN  22 -12.732 -19.121   5.248
  163   2HD2  ASN  22          2HD2      ASN  22 -13.262 -20.139   6.501
  164    H    ALA  23           H        ALA  23  -7.816 -20.631   3.156
  165    HA   ALA  23           HA       ALA  23  -6.614 -18.269   2.203
  166   1HB   ALA  23          1HB       ALA  23  -5.966 -20.718   1.734
  167   2HB   ALA  23          2HB       ALA  23  -5.759 -19.573   0.411
  168   3HB   ALA  23          3HB       ALA  23  -7.150 -20.657   0.429
  169    H    ALA  24           H        ALA  24  -9.770 -19.550   1.531
  170    HA   ALA  24           HA       ALA  24 -10.225 -18.281  -0.997
  171   1HB   ALA  24          1HB       ALA  24 -11.667 -20.069   0.108
  172   2HB   ALA  24          2HB       ALA  24 -12.552 -18.728  -0.618
  173   3HB   ALA  24          3HB       ALA  24 -12.322 -18.789   1.130
  174    H    GLN  25           H        GLN  25 -11.017 -17.176   2.342
  175    HA   GLN  25           HA       GLN  25 -11.987 -14.629   1.370
  176   1HB   GLN  25          2HB       GLN  25 -11.005 -15.287   4.143
  177   2HB   GLN  25          1HB       GLN  25 -12.075 -13.973   3.674
  178   1HG   GLN  25          2HG       GLN  25 -13.561 -15.627   4.482
  179   2HG   GLN  25          1HG       GLN  25 -13.617 -15.840   2.731
  180   1HE2  GLN  25          1HE2      GLN  25 -14.305 -18.155   3.467
  181   2HE2  GLN  25          2HE2      GLN  25 -13.058 -19.268   3.753
  182    H    VAL  26           H        VAL  26  -8.823 -15.880   1.847
  183    HA   VAL  26           HA       VAL  26  -7.505 -13.412   2.541
  184    HB   VAL  26           HB       VAL  26  -6.612 -16.049   1.364
  185   1HG1  VAL  26          1HG1      VAL  26  -4.242 -15.140   1.653
  186   2HG1  VAL  26          2HG1      VAL  26  -4.976 -13.538   1.692
  187   3HG1  VAL  26          3HG1      VAL  26  -5.145 -14.550   0.261
  188   1HG2  VAL  26          1HG2      VAL  26  -6.853 -16.277   3.680
  189   2HG2  VAL  26          2HG2      VAL  26  -6.285 -14.643   4.011
  190   3HG2  VAL  26          3HG2      VAL  26  -5.144 -15.892   3.523
  191    H    LYS  27           H        LYS  27  -7.725 -15.187  -0.564
  192    HA   LYS  27           HA       LYS  27  -6.593 -13.108  -2.128
  193   1HB   LYS  27          2HB       LYS  27  -8.271 -14.327  -3.938
  194   2HB   LYS  27          1HB       LYS  27  -6.684 -14.945  -3.497
  195   1HG   LYS  27          2HG       LYS  27  -7.546 -16.655  -2.193
  196   2HG   LYS  27          1HG       LYS  27  -8.966 -15.735  -1.733
  197   1HD   LYS  27          2HD       LYS  27  -9.630 -17.560  -3.192
  198   2HD   LYS  27          1HD       LYS  27  -9.892 -16.019  -4.000
  199   1HE   LYS  27          2HE       LYS  27  -8.857 -17.524  -5.588
  200   2HE   LYS  27          1HE       LYS  27  -7.655 -16.320  -5.134
  201   1HZ   LYS  27          1HZ       LYS  27  -7.770 -19.162  -4.517
  202   2HZ   LYS  27          2HZ       LYS  27  -7.196 -18.147  -3.281
  203   3HZ   LYS  27          3HZ       LYS  27  -6.426 -18.166  -4.796
  204    H    ASP  28           H        ASP  28  -9.854 -13.533  -0.898
  205    HA   ASP  28           HA       ASP  28 -11.190 -11.686  -2.624
  206   1HB   ASP  28          2HB       ASP  28 -11.923 -13.298  -0.532
  207   2HB   ASP  28          1HB       ASP  28 -12.017 -11.733   0.243
  208    H    ALA  29           H        ALA  29  -9.995 -11.090   0.686
  209    HA   ALA  29           HA       ALA  29 -10.290  -8.290   0.617
  210   1HB   ALA  29          1HB       ALA  29  -9.805  -9.072   2.736
  211   2HB   ALA  29          2HB       ALA  29  -8.233  -8.420   2.285
  212   3HB   ALA  29          3HB       ALA  29  -8.538 -10.155   2.165
  213    H    LEU  30           H        LEU  30  -7.479 -10.234  -0.491
  214    HA   LEU  30           HA       LEU  30  -5.830  -7.983  -0.996
  215   1HB   LEU  30          2HB       LEU  30  -5.854 -10.748  -2.192
  216   2HB   LEU  30          1HB       LEU  30  -4.662  -9.538  -2.697
  217    HG   LEU  30           HG       LEU  30  -5.067 -10.065   0.256
  218   1HD1  LEU  30          1HD1      LEU  30  -4.700 -12.290  -0.965
  219   2HD1  LEU  30          2HD1      LEU  30  -3.527 -11.879   0.282
  220   3HD1  LEU  30          3HD1      LEU  30  -3.117 -11.656  -1.415
  221   1HD2  LEU  30          1HD2      LEU  30  -2.859  -9.214   0.445
  222   2HD2  LEU  30          2HD2      LEU  30  -3.597  -8.198  -0.789
  223   3HD2  LEU  30          3HD2      LEU  30  -2.510  -9.497  -1.259
  224    H    THR  31           H        THR  31  -8.359  -9.453  -2.954
  225    HA   THR  31           HA       THR  31  -7.768  -8.003  -5.357
  226    HB   THR  31           HB       THR  31 -10.225  -9.363  -4.241
  227    HG1  THR  31           1HG      THR  31  -9.580 -10.277  -6.562
  228   1HG2  THR  31          1HG2      THR  31 -11.208  -8.972  -6.560
  229   2HG2  THR  31          2HG2      THR  31  -9.981  -7.724  -6.767
  230   3HG2  THR  31          3HG2      THR  31 -11.186  -7.570  -5.491
  231    H    LYS  32           H        LYS  32  -9.545  -7.233  -2.413
  232    HA   LYS  32           HA       LYS  32 -10.673  -4.769  -3.485
  233   1HB   LYS  32          2HB       LYS  32 -10.298  -5.086  -0.521
  234   2HB   LYS  32          1HB       LYS  32 -11.672  -4.442  -1.409
  235   1HG   LYS  32          2HG       LYS  32 -10.922  -7.367  -1.359
  236   2HG   LYS  32          1HG       LYS  32 -12.099  -6.655  -0.284
  237   1HD   LYS  32          2HD       LYS  32 -13.682  -6.395  -1.952
  238   2HD   LYS  32          1HD       LYS  32 -12.480  -6.167  -3.214
  239   1HE   LYS  32          2HE       LYS  32 -12.270  -8.437  -3.613
  240   2HE   LYS  32          1HE       LYS  32 -12.596  -8.888  -1.940
  241   1HZ   LYS  32          1HZ       LYS  32 -14.441  -9.515  -3.292
  242   2HZ   LYS  32          2HZ       LYS  32 -14.568  -7.955  -3.955
  243   3HZ   LYS  32          3HZ       LYS  32 -14.926  -8.217  -2.314
  244    H    MET  33           H        MET  33  -7.773  -5.724  -1.725
  245    HA   MET  33           HA       MET  33  -6.777  -3.135  -1.081
  246   1HB   MET  33          2HB       MET  33  -5.575  -5.817  -1.613
  247   2HB   MET  33          1HB       MET  33  -4.479  -4.444  -1.611
  248   1HG   MET  33          2HG       MET  33  -4.786  -4.020   0.649
  249   2HG   MET  33          1HG       MET  33  -6.404  -4.703   0.671
  250   1HE   MET  33          1HE       MET  33  -2.875  -6.589   2.368
  251   2HE   MET  33          2HE       MET  33  -3.566  -4.969   2.384
  252   3HE   MET  33          3HE       MET  33  -2.548  -5.472   1.037
  253    H    ARG  34           H        ARG  34  -6.522  -5.093  -4.062
  254    HA   ARG  34           HA       ARG  34  -4.853  -3.450  -5.609
  255   1HB   ARG  34          2HB       ARG  34  -7.024  -5.363  -6.099
  256   2HB   ARG  34          1HB       ARG  34  -6.938  -4.164  -7.373
  257   1HG   ARG  34          2HG       ARG  34  -5.511  -5.851  -8.154
  258   2HG   ARG  34          1HG       ARG  34  -4.374  -4.744  -7.398
  259   1HD   ARG  34          2HD       ARG  34  -5.557  -7.226  -6.116
  260   2HD   ARG  34          1HD       ARG  34  -3.915  -7.072  -6.731
  261    HE   ARG  34           HE       ARG  34  -4.849  -6.128  -4.166
  262   1HH1  ARG  34          1HH2      ARG  34  -2.792  -5.392  -6.834
  263   2HH1  ARG  34          2HH2      ARG  34  -1.635  -4.536  -5.874
  264   1HH2  ARG  34          1HH1      ARG  34  -3.351  -5.009  -2.902
  265   2HH2  ARG  34          2HH1      ARG  34  -1.952  -4.315  -3.650
  266    H    ALA  35           H        ALA  35  -8.345  -3.188  -5.117
  267    HA   ALA  35           HA       ALA  35  -8.665  -0.770  -6.632
  268   1HB   ALA  35          1HB       ALA  35 -10.398  -1.531  -4.284
  269   2HB   ALA  35          2HB       ALA  35 -10.435  -2.455  -5.787
  270   3HB   ALA  35          3HB       ALA  35 -10.868  -0.742  -5.793
  271    H    ALA  36           H        ALA  36  -8.552  -1.255  -3.086
  272    HA   ALA  36           HA       ALA  36  -8.379   1.544  -2.463
  273   1HB   ALA  36          1HB       ALA  36  -7.185  -0.553  -0.667
  274   2HB   ALA  36          2HB       ALA  36  -8.922  -0.561  -0.963
  275   3HB   ALA  36          3HB       ALA  36  -8.160   0.858  -0.252
  276    H    ALA  37           H        ALA  37  -6.025  -0.747  -3.598
  277    HA   ALA  37           HA       ALA  37  -3.662   0.458  -2.492
  278   1HB   ALA  37          1HB       ALA  37  -2.587  -0.702  -4.565
  279   2HB   ALA  37          2HB       ALA  37  -4.204  -1.342  -4.841
  280   3HB   ALA  37          3HB       ALA  37  -3.358  -1.710  -3.342
  281    H    LEU  38           H        LEU  38  -4.504   0.508  -5.953
  282    HA   LEU  38           HA       LEU  38  -2.883   2.784  -6.471
  283   1HB   LEU  38          2HB       LEU  38  -5.307   1.870  -8.038
  284   2HB   LEU  38          1HB       LEU  38  -4.024   2.937  -8.618
  285    HG   LEU  38           HG       LEU  38  -3.294   0.213  -7.533
  286   1HD1  LEU  38          1HD1      LEU  38  -4.286   0.789 -10.342
  287   2HD1  LEU  38          2HD1      LEU  38  -5.074  -0.249  -9.152
  288   3HD1  LEU  38          3HD1      LEU  38  -3.511  -0.710  -9.827
  289   1HD2  LEU  38          1HD2      LEU  38  -1.497   1.801  -8.065
  290   2HD2  LEU  38          2HD2      LEU  38  -2.150   2.025  -9.687
  291   3HD2  LEU  38          3HD2      LEU  38  -1.475   0.466  -9.215
  292    H    ASP  39           H        ASP  39  -6.084   2.508  -5.153
  293    HA   ASP  39           HA       ASP  39  -7.089   5.100  -5.830
  294   1HB   ASP  39          2HB       ASP  39  -8.447   3.309  -4.704
  295   2HB   ASP  39          1HB       ASP  39  -7.511   3.575  -3.233
  296    H    ALA  40           H        ALA  40  -4.985   3.889  -3.266
  297    HA   ALA  40           HA       ALA  40  -4.643   6.373  -1.895
  298   1HB   ALA  40          1HB       ALA  40  -3.554   4.882  -0.554
  299   2HB   ALA  40          2HB       ALA  40  -2.202   4.944  -1.688
  300   3HB   ALA  40          3HB       ALA  40  -3.448   3.714  -1.868
  301    H    GLN  41           H        GLN  41  -3.258   5.007  -4.847
  302    HA   GLN  41           HA       GLN  41  -1.017   6.631  -5.313
  303   1HB   GLN  41          2HB       GLN  41  -2.206   4.896  -6.916
  304   2HB   GLN  41          1HB       GLN  41  -3.084   6.299  -7.504
  305   1HG   GLN  41          2HG       GLN  41  -0.057   6.027  -7.449
  306   2HG   GLN  41          1HG       GLN  41  -1.082   5.864  -8.872
  307   1HE2  GLN  41          1HE2      GLN  41  -2.557   7.867  -9.289
  308   2HE2  GLN  41          2HE2      GLN  41  -1.861   9.388  -9.004
  309    H    LYS  42           H        LYS  42  -4.413   7.409  -5.368
  310    HA   LYS  42           HA       LYS  42  -3.783  10.299  -5.951
  311   1HB   LYS  42          2HB       LYS  42  -6.264   8.628  -6.364
  312   2HB   LYS  42          1HB       LYS  42  -6.275  10.383  -6.479
  313   1HG   LYS  42          2HG       LYS  42  -5.011  10.417  -8.426
  314   2HG   LYS  42          1HG       LYS  42  -4.164   8.922  -8.037
  315   1HD   LYS  42          2HD       LYS  42  -7.122   8.840  -8.623
  316   2HD   LYS  42          1HD       LYS  42  -5.970   8.932  -9.952
  317   1HE   LYS  42          2HE       LYS  42  -4.963   6.867  -9.384
  318   2HE   LYS  42          1HE       LYS  42  -5.670   6.868  -7.770
  319   1HZ   LYS  42          1HZ       LYS  42  -7.801   7.026  -9.492
  320   2HZ   LYS  42          2HZ       LYS  42  -7.301   5.656  -8.620
  321   3HZ   LYS  42          3HZ       LYS  42  -6.759   5.897 -10.212
  322    H    ALA  43           H        ALA  43  -3.923   8.679  -3.226
  323    HA   ALA  43           HA       ALA  43  -5.007  10.883  -1.702
  324   1HB   ALA  43          1HB       ALA  43  -6.826   9.563  -0.598
  325   2HB   ALA  43          2HB       ALA  43  -6.596   8.306  -1.814
  326   3HB   ALA  43          3HB       ALA  43  -7.151   9.909  -2.297
  327    H    THR  44           H        THR  44  -2.887  10.632  -0.762
  328    HA   THR  44           HA       THR  44  -2.710   8.382   1.194
  329    HB   THR  44           HB       THR  44  -0.159   8.493   0.482
  330    HG1  THR  44           1HG      THR  44  -1.037   8.929  -2.046
  331   1HG2  THR  44          1HG2      THR  44  -1.273   6.462   0.181
  332   2HG2  THR  44          2HG2      THR  44  -0.778   6.898  -1.460
  333   3HG2  THR  44          3HG2      THR  44  -2.438   7.156  -0.939
  334    HA   PRO  45           HA       PRO  45  -1.523  11.066   4.451
  335   1HB   PRO  45          2HB       PRO  45   1.223   9.817   4.154
  336   2HB   PRO  45          1HB       PRO  45   0.340  10.256   5.635
  337   1HG   PRO  45          2HG       PRO  45   0.316   7.762   4.760
  338   2HG   PRO  45          1HG       PRO  45  -1.155   8.500   5.421
  339   1HD   PRO  45          2HD       PRO  45  -0.510   7.829   2.598
  340   2HD   PRO  45          1HD       PRO  45  -2.098   7.983   3.376
  341    HA   PRO  46           HA       PRO  46   1.573  13.833   2.257
  342   1HB   PRO  46          2HB       PRO  46   3.102  12.749   0.164
  343   2HB   PRO  46          1HB       PRO  46   3.576  12.760   1.874
  344   1HG   PRO  46          2HG       PRO  46   2.977  10.474   0.324
  345   2HG   PRO  46          1HG       PRO  46   3.185  10.535   2.083
  346   1HD   PRO  46          2HD       PRO  46   0.643  10.636   0.486
  347   2HD   PRO  46          1HD       PRO  46   0.988   9.789   2.013
  348    H    LYS  47           H        LYS  47  -0.767  12.236   0.615
  349    HA   LYS  47           HA       LYS  47  -1.877  12.506  -1.420
  350   1HB   LYS  47          2HB       LYS  47  -1.816  15.446  -1.389
  351   2HB   LYS  47          1HB       LYS  47  -3.177  14.357  -1.194
  352   1HG   LYS  47          2HG       LYS  47  -3.161  15.362   0.886
  353   2HG   LYS  47          1HG       LYS  47  -2.162  13.957   1.212
  354   1HD   LYS  47          2HD       LYS  47  -0.431  15.320   1.829
  355   2HD   LYS  47          1HD       LYS  47  -0.415  16.067   0.235
  356   1HE   LYS  47          2HE       LYS  47  -2.320  17.547   1.031
  357   2HE   LYS  47          1HE       LYS  47  -2.032  16.911   2.651
  358   1HZ   LYS  47          1HZ       LYS  47  -0.811  18.936   2.365
  359   2HZ   LYS  47          2HZ       LYS  47  -0.084  18.360   0.942
  360   3HZ   LYS  47          3HZ       LYS  47   0.290  17.650   2.439
  361    H    LEU  48           H        LEU  48   1.093  12.476  -1.624
  362    HA   LEU  48           HA       LEU  48   2.811  13.098  -3.094
  363   1HB   LEU  48          2HB       LEU  48   1.289  11.445  -4.320
  364   2HB   LEU  48          1HB       LEU  48   0.581  12.823  -5.140
  365    HG   LEU  48           HG       LEU  48   2.368  11.619  -6.448
  366   1HD1  LEU  48          1HD1      LEU  48   3.256  13.562  -7.411
  367   2HD1  LEU  48          2HD1      LEU  48   3.286  14.433  -5.882
  368   3HD1  LEU  48          3HD1      LEU  48   1.750  14.115  -6.689
  369   1HD2  LEU  48          1HD2      LEU  48   4.450  12.942  -4.729
  370   2HD2  LEU  48          2HD2      LEU  48   4.594  11.551  -5.801
  371   3HD2  LEU  48          3HD2      LEU  48   3.800  11.376  -4.241
  372    H    GLU  49           H        GLU  49   0.364  14.566  -5.185
  373    HA   GLU  49           HA       GLU  49   1.872  17.040  -5.233
  374   1HB   GLU  49          2HB       GLU  49  -0.333  17.830  -6.428
  375   2HB   GLU  49          1HB       GLU  49   0.721  16.672  -7.239
  376   1HG   GLU  49          2HG       GLU  49  -0.668  14.838  -6.695
  377   2HG   GLU  49          1HG       GLU  49  -1.524  15.749  -5.453
  378    H    ASP  50           H        ASP  50   1.879  18.292  -3.434
  379    HA   ASP  50           HA       ASP  50  -0.509  18.369  -1.674
  380   1HB   ASP  50          2HB       ASP  50   1.048  19.889  -0.301
  381   2HB   ASP  50          1HB       ASP  50   1.533  18.201  -0.462
  382    H    LYS  51           H        LYS  51   0.451  19.893  -4.434
  383    HA   LYS  51           HA       LYS  51  -1.411  22.086  -4.047
  384   1HB   LYS  51          2HB       LYS  51   0.248  23.907  -4.400
  385   2HB   LYS  51          1HB       LYS  51   0.491  23.055  -2.876
  386   1HG   LYS  51          2HG       LYS  51   2.097  21.565  -4.548
  387   2HG   LYS  51          1HG       LYS  51   2.238  23.158  -5.289
  388   1HD   LYS  51          2HD       LYS  51   2.912  24.128  -3.129
  389   2HD   LYS  51          1HD       LYS  51   2.751  22.548  -2.362
  390   1HE   LYS  51          2HE       LYS  51   5.084  22.843  -2.878
  391   2HE   LYS  51          1HE       LYS  51   4.443  21.675  -4.035
  392   1HZ   LYS  51          1HZ       LYS  51   5.328  24.420  -4.457
  393   2HZ   LYS  51          2HZ       LYS  51   3.982  23.906  -5.358
  394   3HZ   LYS  51          3HZ       LYS  51   5.457  23.069  -5.474
  395    H    SER  52           H        SER  52   1.530  21.738  -6.088
  396    HA   SER  52           HA       SER  52   0.167  20.804  -8.382
  397   1HB   SER  52          2HB       SER  52   0.367  23.766  -8.004
  398   2HB   SER  52          1HB       SER  52   0.488  23.103  -9.632
  399    HG   SER  52           HG       SER  52  -1.548  22.444  -9.529
  400    HA   PRO  53           HA       PRO  53   4.869  20.945  -8.269
  401   1HB   PRO  53          2HB       PRO  53   5.151  18.228  -8.907
  402   2HB   PRO  53          1HB       PRO  53   5.206  18.899  -7.276
  403   1HG   PRO  53          2HG       PRO  53   3.008  17.477  -8.653
  404   2HG   PRO  53          1HG       PRO  53   3.406  17.540  -6.929
  405   1HD   PRO  53          2HD       PRO  53   1.320  18.930  -8.076
  406   2HD   PRO  53          1HD       PRO  53   2.114  19.431  -6.572
  407    H    ASP  54           H        ASP  54   3.697  18.376 -10.370
  408    HA   ASP  54           HA       ASP  54   4.283  20.047 -12.782
  409   1HB   ASP  54          2HB       ASP  54   5.162  17.184 -12.244
  410   2HB   ASP  54          1HB       ASP  54   5.348  18.030 -13.788
  411    H    SER  55           H        SER  55   2.985  16.924 -11.692
  412    HA   SER  55           HA       SER  55   0.655  16.371 -11.819
  413   1HB   SER  55          2HB       SER  55  -0.824  17.082 -13.529
  414   2HB   SER  55          1HB       SER  55   0.058  18.501 -12.989
  415    HG   SER  55           HG       SER  55   0.043  18.484 -15.215
  416    HA   PRO  56           HA       PRO  56   1.635  13.420 -15.381
  417   1HB   PRO  56          2HB       PRO  56   4.308  13.956 -16.462
  418   2HB   PRO  56          1HB       PRO  56   2.760  13.930 -17.328
  419   1HG   PRO  56          2HG       PRO  56   4.208  16.197 -16.924
  420   2HG   PRO  56          1HG       PRO  56   2.441  16.185 -17.080
  421   1HD   PRO  56          2HD       PRO  56   4.104  16.287 -14.575
  422   2HD   PRO  56          1HD       PRO  56   2.670  17.224 -15.011
  423    H    GLU  57           H        GLU  57   4.493  14.658 -13.707
  424    HA   GLU  57           HA       GLU  57   5.859  12.210 -13.285
  425   1HB   GLU  57          2HB       GLU  57   6.605  14.660 -12.785
  426   2HB   GLU  57          1HB       GLU  57   5.818  14.419 -11.227
  427   1HG   GLU  57          2HG       GLU  57   8.057  13.766 -10.829
  428   2HG   GLU  57          1HG       GLU  57   7.211  12.237 -11.078
  429    H    MET  58           H        MET  58   2.829  13.168 -12.185
  430    HA   MET  58           HA       MET  58   2.817  12.036  -9.547
  431   1HB   MET  58          2HB       MET  58   1.030  13.522 -10.213
  432   2HB   MET  58          1HB       MET  58   0.595  12.478 -11.564
  433   1HG   MET  58          2HG       MET  58  -0.302  10.817 -10.148
  434   2HG   MET  58          1HG       MET  58   0.546  11.438  -8.731
  435   1HE   MET  58          1HE       MET  58  -2.865  10.852  -9.328
  436   2HE   MET  58          2HE       MET  58  -3.235  11.888  -7.953
  437   3HE   MET  58          3HE       MET  58  -1.841  10.813  -7.886
  438    H    LYS  59           H        LYS  59   1.760  10.634 -12.705
  439    HA   LYS  59           HA       LYS  59   1.106   8.084 -11.682
  440   1HB   LYS  59          2HB       LYS  59   1.052   9.072 -14.174
  441   2HB   LYS  59          1HB       LYS  59   2.583   8.215 -14.301
  442   1HG   LYS  59          2HG       LYS  59   1.243   6.416 -14.848
  443   2HG   LYS  59          1HG       LYS  59   1.046   6.263 -13.098
  444   1HD   LYS  59          2HD       LYS  59  -0.991   7.673 -13.224
  445   2HD   LYS  59          1HD       LYS  59  -0.796   7.792 -14.975
  446   1HE   LYS  59          2HE       LYS  59  -1.062   5.398 -15.225
  447   2HE   LYS  59          1HE       LYS  59  -1.064   5.180 -13.477
  448   1HZ   LYS  59          1HZ       LYS  59  -3.305   5.184 -14.524
  449   2HZ   LYS  59          2HZ       LYS  59  -3.065   6.817 -14.926
  450   3HZ   LYS  59          3HZ       LYS  59  -3.109   6.337 -13.297
  451    H    ASP  60           H        ASP  60   4.239   9.569 -12.317
  452    HA   ASP  60           HA       ASP  60   5.876   7.248 -12.138
  453   1HB   ASP  60          2HB       ASP  60   6.536   9.770 -12.582
  454   2HB   ASP  60          1HB       ASP  60   6.702   9.848 -10.830
  455    H    PHE  61           H        PHE  61   4.337   9.298  -9.703
  456    HA   PHE  61           HA       PHE  61   5.471   8.160  -7.378
  457   1HB   PHE  61          2HB       PHE  61   3.850  10.131  -7.493
  458   2HB   PHE  61          1HB       PHE  61   2.558   8.960  -7.688
  459    HD1  PHE  61           1HD      PHE  61   1.361   8.525  -5.742
  460    HD2  PHE  61           2HD      PHE  61   5.584   9.305  -5.443
  461    HE1  PHE  61           1HE      PHE  61   1.247   8.233  -3.291
  462    HE2  PHE  61           2HE      PHE  61   5.462   8.994  -2.992
  463    HZ   PHE  61           HZ       PHE  61   3.296   8.461  -1.914
  464    H    ARG  62           H        ARG  62   2.959   7.031  -9.579
  465    HA   ARG  62           HA       ARG  62   2.065   4.760  -8.109
  466   1HB   ARG  62          2HB       ARG  62   1.275   5.684 -10.450
  467   2HB   ARG  62          1HB       ARG  62   2.519   4.610 -11.089
  468   1HG   ARG  62          2HG       ARG  62   1.356   2.824  -9.460
  469   2HG   ARG  62          1HG       ARG  62  -0.013   3.931  -9.627
  470   1HD   ARG  62          2HD       ARG  62  -0.038   3.683 -12.013
  471   2HD   ARG  62          1HD       ARG  62   1.467   2.763 -11.993
  472    HE   ARG  62           HE       ARG  62  -0.199   1.271 -10.383
  473   1HH1  ARG  62          1HH2      ARG  62  -0.414   2.665 -13.529
  474   2HH1  ARG  62          2HH2      ARG  62  -1.467   1.435 -14.147
  475   1HH2  ARG  62          1HH1      ARG  62  -1.570  -0.342 -11.170
  476   2HH2  ARG  62          2HH1      ARG  62  -2.121  -0.268 -12.810
  477    H    HIS  63           H        HIS  63   4.936   5.364 -10.078
  478    HA   HIS  63           HA       HIS  63   5.968   2.766 -10.309
  479   1HB   HIS  63          2HB       HIS  63   6.986   4.990 -11.146
  480   2HB   HIS  63          1HB       HIS  63   7.709   5.121  -9.543
  481    HD1  HIS  63           1HD      HIS  63   7.288   1.843 -11.375
  482    HD2  HIS  63           2HD      HIS  63  10.338   4.484 -10.325
  483    HE1  HIS  63           1HE      HIS  63   9.468   0.670 -11.910
  484    H    GLY  64           H        GLY  64   6.232   5.016  -7.546
  485   1HA   GLY  64          2HA       GLY  64   7.748   3.188  -5.895
  486   2HA   GLY  64          1HA       GLY  64   6.844   4.583  -5.304
  487    H    PHE  65           H        PHE  65   4.277   3.999  -6.036
  488    HA   PHE  65           HA       PHE  65   3.434   2.078  -4.064
  489   1HB   PHE  65          2HB       PHE  65   2.257   3.935  -6.011
  490   2HB   PHE  65          1HB       PHE  65   1.307   2.464  -5.884
  491    HD1  PHE  65           1HD      PHE  65   2.494   5.466  -4.190
  492    HD2  PHE  65           2HD      PHE  65   0.307   1.828  -3.753
  493    HE1  PHE  65           1HE      PHE  65   1.549   6.286  -2.070
  494    HE2  PHE  65           2HE      PHE  65  -0.657   2.634  -1.626
  495    HZ   PHE  65           HZ       PHE  65  -0.036   4.864  -0.787
  496    H    ASP  66           H        ASP  66   3.971   1.949  -7.525
  497    HA   ASP  66           HA       ASP  66   2.626  -0.424  -8.148
  498   1HB   ASP  66          2HB       ASP  66   3.813   1.092  -9.775
  499   2HB   ASP  66          1HB       ASP  66   5.333   0.373  -9.253
  500    H    ILE  67           H        ILE  67   5.859   0.080  -6.749
  501    HA   ILE  67           HA       ILE  67   6.618  -2.688  -6.744
  502    HB   ILE  67           HB       ILE  67   7.567  -0.722  -4.655
  503   1HG1  ILE  67          2HG1      ILE  67   8.061  -0.676  -7.636
  504   2HG1  ILE  67          1HG1      ILE  67   7.743   0.657  -6.531
  505   1HG2  ILE  67          1HG2      ILE  67   9.128  -2.749  -6.276
  506   2HG2  ILE  67          2HG2      ILE  67   8.289  -3.185  -4.787
  507   3HG2  ILE  67          3HG2      ILE  67   9.585  -1.990  -4.751
  508   1HD1  ILE  67          1HD1      ILE  67  10.308  -0.890  -6.877
  509   2HD1  ILE  67          2HD1      ILE  67   9.997   0.077  -5.435
  510   3HD1  ILE  67          3HD1      ILE  67  10.050   0.849  -7.020
  511    H    LEU  68           H        LEU  68   5.673  -0.670  -3.924
  512    HA   LEU  68           HA       LEU  68   5.324  -2.840  -2.175
  513   1HB   LEU  68          2HB       LEU  68   4.286  -1.341  -0.669
  514   2HB   LEU  68          1HB       LEU  68   5.382  -0.355  -1.621
  515    HG   LEU  68           HG       LEU  68   3.219   0.006  -3.128
  516   1HD1  LEU  68          1HD1      LEU  68   1.255   0.351  -1.494
  517   2HD1  LEU  68          2HD1      LEU  68   2.113  -0.740  -0.411
  518   3HD1  LEU  68          3HD1      LEU  68   1.588  -1.298  -1.994
  519   1HD2  LEU  68          1HD2      LEU  68   4.517   1.796  -2.012
  520   2HD2  LEU  68          2HD2      LEU  68   3.731   1.427  -0.479
  521   3HD2  LEU  68          3HD2      LEU  68   2.789   2.090  -1.813
  522    H    VAL  69           H        VAL  69   2.869  -1.378  -4.333
  523    HA   VAL  69           HA       VAL  69   0.759  -3.140  -3.499
  524    HB   VAL  69           HB       VAL  69   1.170  -1.631  -6.094
  525   1HG1  VAL  69          1HG1      VAL  69  -0.434  -3.352  -6.492
  526   2HG1  VAL  69          2HG1      VAL  69  -1.354  -1.878  -6.191
  527   3HG1  VAL  69          3HG1      VAL  69  -1.194  -3.093  -4.923
  528   1HG2  VAL  69          1HG2      VAL  69  -0.305   0.016  -5.071
  529   2HG2  VAL  69          2HG2      VAL  69   1.083  -0.270  -4.021
  530   3HG2  VAL  69          3HG2      VAL  69  -0.474  -0.994  -3.633
  531    H    GLY  70           H        GLY  70   3.512  -3.587  -5.541
  532   1HA   GLY  70          2HA       GLY  70   2.435  -5.658  -7.232
  533   2HA   GLY  70          1HA       GLY  70   4.146  -5.342  -6.967
  534    H    GLN  71           H        GLN  71   4.468  -5.856  -4.275
  535    HA   GLN  71           HA       GLN  71   4.359  -8.741  -4.279
  536   1HB   GLN  71          2HB       GLN  71   5.506  -8.644  -2.201
  537   2HB   GLN  71          1HB       GLN  71   6.108  -7.284  -3.119
  538   1HG   GLN  71          2HG       GLN  71   5.641  -6.152  -1.159
  539   2HG   GLN  71          1HG       GLN  71   4.052  -6.025  -1.907
  540   1HE2  GLN  71          1HE2      GLN  71   5.549  -8.919  -0.446
  541   2HE2  GLN  71          2HE2      GLN  71   4.376  -9.122   0.769
  542    H    ILE  72           H        ILE  72   2.232  -6.263  -3.050
  543    HA   ILE  72           HA       ILE  72   0.855  -7.845  -1.099
  544    HB   ILE  72           HB       ILE  72  -0.033  -5.541  -2.860
  545   1HG1  ILE  72          2HG1      ILE  72   0.428  -5.724   0.130
  546   2HG1  ILE  72          1HG1      ILE  72   1.654  -5.186  -1.013
  547   1HG2  ILE  72          1HG2      ILE  72  -2.064  -6.739  -2.397
  548   2HG2  ILE  72          2HG2      ILE  72  -1.996  -5.417  -1.236
  549   3HG2  ILE  72          3HG2      ILE  72  -1.570  -7.051  -0.733
  550   1HD1  ILE  72          1HD1      ILE  72   0.804  -3.113  -0.872
  551   2HD1  ILE  72          2HD1      ILE  72  -0.510  -3.676   0.146
  552   3HD1  ILE  72          3HD1      ILE  72  -0.691  -3.679  -1.607
  553    H    ASP  73           H        ASP  73  -0.031  -7.148  -4.501
  554    HA   ASP  73           HA       ASP  73  -2.132  -9.080  -4.658
  555   1HB   ASP  73          2HB       ASP  73  -1.987  -8.790  -7.052
  556   2HB   ASP  73          1HB       ASP  73  -1.644  -7.226  -6.325
  557    H    ASP  74           H        ASP  74   1.405  -9.364  -5.216
  558    HA   ASP  74           HA       ASP  74   1.225 -11.978  -6.323
  559   1HB   ASP  74          2HB       ASP  74   3.304 -10.634  -6.333
  560   2HB   ASP  74          1HB       ASP  74   3.448 -10.860  -4.586
  561    H    ALA  75           H        ALA  75   0.666 -10.773  -3.159
  562    HA   ALA  75           HA       ALA  75   1.028 -13.309  -1.787
  563   1HB   ALA  75          1HB       ALA  75   0.889 -10.970  -0.699
  564   2HB   ALA  75          2HB       ALA  75   0.023 -12.289   0.089
  565   3HB   ALA  75          3HB       ALA  75  -0.857 -11.123  -0.902
  566    H    LEU  76           H        LEU  76  -1.466 -11.564  -3.488
  567    HA   LEU  76           HA       LEU  76  -3.739 -13.223  -2.996
  568   1HB   LEU  76          2HB       LEU  76  -3.527 -10.934  -4.235
  569   2HB   LEU  76          1HB       LEU  76  -3.086 -11.883  -5.648
  570    HG   LEU  76           HG       LEU  76  -5.622 -12.472  -4.108
  571   1HD1  LEU  76          1HD1      LEU  76  -6.833 -11.011  -5.680
  572   2HD1  LEU  76          2HD1      LEU  76  -5.303 -10.505  -6.393
  573   3HD1  LEU  76          3HD1      LEU  76  -5.681 -10.078  -4.724
  574   1HD2  LEU  76          1HD2      LEU  76  -4.659 -12.983  -6.938
  575   2HD2  LEU  76          2HD2      LEU  76  -6.329 -13.216  -6.434
  576   3HD2  LEU  76          3HD2      LEU  76  -5.051 -14.178  -5.704
  577    H    LYS  77           H        LYS  77  -1.127 -13.298  -5.333
  578    HA   LYS  77           HA       LYS  77  -1.898 -15.558  -6.851
  579   1HB   LYS  77          2HB       LYS  77  -0.037 -13.734  -7.141
  580   2HB   LYS  77          1HB       LYS  77   0.967 -14.862  -6.238
  581   1HG   LYS  77          2HG       LYS  77   0.456 -16.613  -7.920
  582   2HG   LYS  77          1HG       LYS  77  -0.500 -15.435  -8.817
  583   1HD   LYS  77          2HD       LYS  77   1.529 -15.152  -9.924
  584   2HD   LYS  77          1HD       LYS  77   1.770 -13.979  -8.619
  585   1HE   LYS  77          2HE       LYS  77   3.746 -15.379  -8.770
  586   2HE   LYS  77          1HE       LYS  77   2.885 -15.801  -7.290
  587   1HZ   LYS  77          1HZ       LYS  77   2.629 -17.256  -9.865
  588   2HZ   LYS  77          2HZ       LYS  77   1.918 -17.688  -8.383
  589   3HZ   LYS  77          3HZ       LYS  77   3.606 -17.752  -8.572
  590    H    LEU  78           H        LEU  78   0.239 -15.256  -4.073
  591    HA   LEU  78           HA       LEU  78   0.936 -17.983  -3.814
  592   1HB   LEU  78          2HB       LEU  78   1.039 -15.469  -2.287
  593   2HB   LEU  78          1HB       LEU  78   1.098 -16.896  -1.305
  594    HG   LEU  78           HG       LEU  78   2.975 -17.752  -2.745
  595   1HD1  LEU  78          1HD1      LEU  78   3.134 -14.903  -3.752
  596   2HD1  LEU  78          2HD1      LEU  78   2.317 -16.167  -4.669
  597   3HD1  LEU  78          3HD1      LEU  78   4.038 -16.308  -4.315
  598   1HD2  LEU  78          1HD2      LEU  78   3.294 -15.121  -1.291
  599   2HD2  LEU  78          2HD2      LEU  78   4.648 -16.129  -1.801
  600   3HD2  LEU  78          3HD2      LEU  78   3.488 -16.740  -0.623
  601    H    ALA  79           H        ALA  79  -1.431 -16.095  -1.876
  602    HA   ALA  79           HA       ALA  79  -2.554 -18.111  -0.362
  603   1HB   ALA  79          1HB       ALA  79  -4.498 -16.772  -0.156
  604   2HB   ALA  79          2HB       ALA  79  -4.311 -16.104  -1.778
  605   3HB   ALA  79          3HB       ALA  79  -3.205 -15.621  -0.493
  606    H    ASN  80           H        ASN  80  -3.100 -17.530  -3.822
  607    HA   ASN  80           HA       ASN  80  -5.261 -19.435  -4.091
  608   1HB   ASN  80          2HB       ASN  80  -3.272 -18.860  -6.291
  609   2HB   ASN  80          1HB       ASN  80  -4.999 -19.187  -6.425
  610   1HD2  ASN  80          1HD2      ASN  80  -5.658 -17.268  -4.171
  611   2HD2  ASN  80          2HD2      ASN  80  -5.460 -15.726  -4.839
  612    H    GLU  81           H        GLU  81  -1.791 -19.657  -3.922
  613    HA   GLU  81           HA       GLU  81  -1.753 -22.497  -4.731
  614   1HB   GLU  81          2HB       GLU  81   0.142 -20.921  -5.239
  615   2HB   GLU  81          1HB       GLU  81   0.453 -20.803  -3.507
  616   1HG   GLU  81          2HG       GLU  81   1.096 -23.077  -3.347
  617   2HG   GLU  81          1HG       GLU  81   0.365 -23.484  -4.898
  618    H    GLY  82           H        GLY  82  -2.829 -20.936  -2.074
  619   1HA   GLY  82          2HA       GLY  82  -3.553 -21.980  -0.055
  620   2HA   GLY  82          1HA       GLY  82  -2.452 -23.316  -0.371
  621    H    LYS  83           H        LYS  83  -1.639 -19.836  -0.257
  622    HA   LYS  83           HA       LYS  83   0.352 -20.459   1.890
  623   1HB   LYS  83          2HB       LYS  83   0.001 -17.972   0.217
  624   2HB   LYS  83          1HB       LYS  83   1.358 -18.324   1.274
  625   1HG   LYS  83          2HG       LYS  83   0.670 -19.561  -1.369
  626   2HG   LYS  83          1HG       LYS  83   2.199 -18.875  -0.856
  627   1HD   LYS  83          2HD       LYS  83   2.362 -20.806   0.804
  628   2HD   LYS  83          1HD       LYS  83   0.998 -21.534  -0.049
  629   1HE   LYS  83          2HE       LYS  83   2.659 -22.492  -1.317
  630   2HE   LYS  83          1HE       LYS  83   2.645 -20.942  -2.159
  631   1HZ   LYS  83          1HZ       LYS  83   4.836 -21.129  -1.604
  632   2HZ   LYS  83          2HZ       LYS  83   4.530 -21.964  -0.157
  633   3HZ   LYS  83          3HZ       LYS  83   4.268 -20.288  -0.244
  634    H    VAL  84           H        VAL  84  -1.889 -20.549   3.115
  635    HA   VAL  84           HA       VAL  84  -3.238 -18.148   3.816
  636    HB   VAL  84           HB       VAL  84  -2.787 -20.626   5.502
  637   1HG1  VAL  84          1HG1      VAL  84  -4.747 -18.327   5.690
  638   2HG1  VAL  84          2HG1      VAL  84  -3.588 -18.853   6.910
  639   3HG1  VAL  84          3HG1      VAL  84  -4.984 -19.862   6.525
  640   1HG2  VAL  84          1HG2      VAL  84  -5.180 -19.917   3.793
  641   2HG2  VAL  84          2HG2      VAL  84  -4.799 -21.472   4.533
  642   3HG2  VAL  84          3HG2      VAL  84  -3.837 -20.881   3.178
  643    H    LYS  85           H        LYS  85  -0.377 -19.690   5.298
  644    HA   LYS  85           HA       LYS  85  -0.203 -17.735   7.423
  645   1HB   LYS  85          2HB       LYS  85   2.309 -18.829   7.315
  646   2HB   LYS  85          1HB       LYS  85   0.946 -19.587   8.131
  647   1HG   LYS  85          2HG       LYS  85   0.589 -21.137   6.428
  648   2HG   LYS  85          1HG       LYS  85   1.349 -20.133   5.203
  649   1HD   LYS  85          2HD       LYS  85   2.744 -22.100   5.830
  650   2HD   LYS  85          1HD       LYS  85   3.555 -20.563   6.130
  651   1HE   LYS  85          2HE       LYS  85   1.949 -21.840   8.336
  652   2HE   LYS  85          1HE       LYS  85   3.574 -22.427   7.991
  653   1HZ   LYS  85          1HZ       LYS  85   2.739 -19.964   9.213
  654   2HZ   LYS  85          2HZ       LYS  85   3.888 -19.744   7.980
  655   3HZ   LYS  85          3HZ       LYS  85   4.233 -20.764   9.294
  656    H    GLU  86           H        GLU  86   1.654 -18.273   4.456
  657    HA   GLU  86           HA       GLU  86   3.362 -16.023   4.740
  658   1HB   GLU  86          2HB       GLU  86   2.923 -18.169   2.922
  659   2HB   GLU  86          1HB       GLU  86   2.880 -16.695   1.948
  660   1HG   GLU  86          2HG       GLU  86   5.102 -17.297   3.927
  661   2HG   GLU  86          1HG       GLU  86   5.173 -17.766   2.232
  662    H    ALA  87           H        ALA  87   0.215 -16.364   3.089
  663    HA   ALA  87           HA       ALA  87   0.199 -13.767   1.904
  664   1HB   ALA  87          1HB       ALA  87  -2.258 -15.188   2.946
  665   2HB   ALA  87          2HB       ALA  87  -1.432 -15.689   1.470
  666   3HB   ALA  87          3HB       ALA  87  -2.145 -14.079   1.580
  667    H    GLN  88           H        GLN  88  -1.119 -14.858   5.057
  668    HA   GLN  88           HA       GLN  88  -2.044 -12.255   5.849
  669   1HB   GLN  88          2HB       GLN  88  -1.485 -14.855   7.245
  670   2HB   GLN  88          1HB       GLN  88  -1.576 -13.417   8.257
  671   1HG   GLN  88          2HG       GLN  88  -3.785 -12.880   7.262
  672   2HG   GLN  88          1HG       GLN  88  -3.707 -14.376   6.329
  673   1HE2  GLN  88          1HE2      GLN  88  -4.283 -16.312   7.390
  674   2HE2  GLN  88          2HE2      GLN  88  -4.688 -16.410   9.035
  675    H    ALA  89           H        ALA  89   1.018 -13.984   6.573
  676    HA   ALA  89           HA       ALA  89   2.189 -11.907   8.130
  677   1HB   ALA  89          1HB       ALA  89   4.377 -12.947   7.432
  678   2HB   ALA  89          2HB       ALA  89   3.471 -13.988   6.333
  679   3HB   ALA  89          3HB       ALA  89   3.212 -14.106   8.074
  680    H    ALA  90           H        ALA  90   2.205 -12.499   4.620
  681    HA   ALA  90           HA       ALA  90   3.939 -10.331   3.936
  682   1HB   ALA  90          1HB       ALA  90   1.679 -11.684   2.436
  683   2HB   ALA  90          2HB       ALA  90   3.413 -11.912   2.208
  684   3HB   ALA  90          3HB       ALA  90   2.650 -10.397   1.721
  685    H    ALA  91           H        ALA  91   0.451 -10.547   4.504
  686    HA   ALA  91           HA       ALA  91  -0.244  -7.904   3.760
  687   1HB   ALA  91          1HB       ALA  91  -1.727  -8.671   6.123
  688   2HB   ALA  91          2HB       ALA  91  -1.464 -10.104   5.137
  689   3HB   ALA  91          3HB       ALA  91  -2.262  -8.700   4.445
  690    H    GLU  92           H        GLU  92   1.031  -9.191   6.829
  691    HA   GLU  92           HA       GLU  92   0.952  -6.724   8.251
  692   1HB   GLU  92          2HB       GLU  92   2.393  -9.327   8.547
  693   2HB   GLU  92          1HB       GLU  92   3.034  -7.959   9.456
  694   1HG   GLU  92          2HG       GLU  92   1.117  -7.742  10.767
  695   2HG   GLU  92          1HG       GLU  92   0.070  -8.474   9.553
  696    H    GLN  93           H        GLN  93   2.876  -7.637   5.569
  697    HA   GLN  93           HA       GLN  93   5.144  -5.935   6.285
  698   1HB   GLN  93          2HB       GLN  93   6.101  -6.590   4.262
  699   2HB   GLN  93          1HB       GLN  93   5.091  -7.973   4.632
  700   1HG   GLN  93          2HG       GLN  93   4.349  -7.709   2.474
  701   2HG   GLN  93          1HG       GLN  93   3.334  -6.448   3.149
  702   1HE2  GLN  93          1HE2      GLN  93   4.399  -4.235   3.234
  703   2HE2  GLN  93          2HE2      GLN  93   5.383  -3.785   1.925
  704    H    LEU  94           H        LEU  94   2.087  -5.650   4.609
  705    HA   LEU  94           HA       LEU  94   2.572  -3.051   3.468
  706   1HB   LEU  94          2HB       LEU  94   0.651  -4.543   2.827
  707   2HB   LEU  94          1HB       LEU  94  -0.093  -4.155   4.378
  708    HG   LEU  94           HG       LEU  94   0.025  -1.720   3.771
  709   1HD1  LEU  94          1HD1      LEU  94   1.350  -2.872   1.357
  710   2HD1  LEU  94          2HD1      LEU  94   1.599  -1.320   2.151
  711   3HD1  LEU  94          3HD1      LEU  94   0.227  -1.542   1.073
  712   1HD2  LEU  94          1HD2      LEU  94  -1.586  -3.724   2.218
  713   2HD2  LEU  94          2HD2      LEU  94  -1.716  -2.020   1.785
  714   3HD2  LEU  94          3HD2      LEU  94  -2.113  -2.548   3.417
  715    H    LYS  95           H        LYS  95   1.064  -4.091   6.518
  716    HA   LYS  95           HA       LYS  95   0.367  -1.564   7.552
  717   1HB   LYS  95          2HB       LYS  95   1.392  -4.020   9.005
  718   2HB   LYS  95          1HB       LYS  95   0.660  -2.637   9.814
  719   1HG   LYS  95          2HG       LYS  95  -1.469  -3.016   8.815
  720   2HG   LYS  95          1HG       LYS  95  -0.788  -4.066   7.581
  721   1HD   LYS  95          2HD       LYS  95  -1.524  -5.784   8.908
  722   2HD   LYS  95          1HD       LYS  95  -0.101  -5.457   9.884
  723   1HE   LYS  95          2HE       LYS  95  -1.699  -3.665  11.030
  724   2HE   LYS  95          1HE       LYS  95  -2.963  -4.722  10.391
  725   1HZ   LYS  95          1HZ       LYS  95  -0.666  -5.789  11.915
  726   2HZ   LYS  95          2HZ       LYS  95  -2.164  -6.527  11.599
  727   3HZ   LYS  95          3HZ       LYS  95  -2.067  -5.232  12.693
  728    H    THR  96           H        THR  96   3.305  -3.354   8.521
  729    HA   THR  96           HA       THR  96   4.578  -1.056   9.648
  730    HB   THR  96           HB       THR  96   6.022  -3.488   8.578
  731    HG1  THR  96           1HG      THR  96   4.024  -3.781   9.975
  732   1HG2  THR  96          1HG2      THR  96   7.438  -3.046  10.590
  733   2HG2  THR  96          2HG2      THR  96   6.480  -1.598  10.904
  734   3HG2  THR  96          3HG2      THR  96   7.449  -1.714   9.434
  735    H    THR  97           H        THR  97   4.608  -2.358   6.343
  736    HA   THR  97           HA       THR  97   6.906  -1.126   5.337
  737    HB   THR  97           HB       THR  97   4.226  -1.673   4.112
  738    HG1  THR  97           1HG      THR  97   6.464  -2.953   4.450
  739   1HG2  THR  97          1HG2      THR  97   5.469  -1.047   1.890
  740   2HG2  THR  97          2HG2      THR  97   6.434  -0.007   2.935
  741   3HG2  THR  97          3HG2      THR  97   4.690   0.228   2.826
  742    H    ILE  98           H        ILE  98   3.638   0.372   5.393
  743    HA   ILE  98           HA       ILE  98   4.417   2.960   4.614
  744    HB   ILE  98           HB       ILE  98   2.202   1.857   6.333
  745   1HG1  ILE  98          2HG1      ILE  98   1.031   3.201   4.220
  746   2HG1  ILE  98          1HG1      ILE  98   2.549   2.698   3.493
  747   1HG2  ILE  98          1HG2      ILE  98   1.220   4.294   6.020
  748   2HG2  ILE  98          2HG2      ILE  98   2.916   4.730   6.011
  749   3HG2  ILE  98          3HG2      ILE  98   2.241   3.900   7.399
  750   1HD1  ILE  98          1HD1      ILE  98   0.702   0.794   4.954
  751   2HD1  ILE  98          2HD1      ILE  98   2.107   0.389   3.967
  752   3HD1  ILE  98          3HD1      ILE  98   0.665   1.059   3.212
  753    H    ARG  99           H        ARG  99   4.089   1.758   8.004
  754    HA   ARG  99           HA       ARG  99   5.092   4.123   9.188
  755   1HB   ARG  99          2HB       ARG  99   4.052   1.839  10.123
  756   2HB   ARG  99          1HB       ARG  99   5.741   1.442  10.387
  757   1HG   ARG  99          2HG       ARG  99   4.493   4.031  11.364
  758   2HG   ARG  99          1HG       ARG  99   4.523   2.560  12.306
  759   1HD   ARG  99          2HD       ARG  99   6.486   3.497  13.092
  760   2HD   ARG  99          1HD       ARG  99   7.151   2.671  11.687
  761    HE   ARG  99           HE       ARG  99   6.399   5.143  10.695
  762   1HH1  ARG  99          1HH2      ARG  99   8.272   3.982  13.345
  763   2HH1  ARG  99          2HH2      ARG  99   9.338   5.348  13.363
  764   1HH2  ARG  99          1HH1      ARG  99   7.780   6.933  10.701
  765   2HH2  ARG  99          2HH1      ARG  99   9.059   7.019  11.866
  766    H    ALA 100           H        ALA 100   6.898   1.139   8.298
  767    HA   ALA 100           HA       ALA 100   9.466   2.107   9.114
  768   1HB   ALA 100          1HB       ALA 100  10.363   0.348   7.572
  769   2HB   ALA 100          2HB       ALA 100   8.723   0.085   6.978
  770   3HB   ALA 100          3HB       ALA 100   9.117  -0.261   8.662
  771    H    TYR 101           H        TYR 101   7.588   2.597   6.251
  772    HA   TYR 101           HA       TYR 101   9.690   3.708   4.589
  773   1HB   TYR 101          2HB       TYR 101   6.685   3.541   4.509
  774   2HB   TYR 101          1HB       TYR 101   7.476   4.702   3.448
  775    HD1  TYR 101           1HD      TYR 101   9.050   1.488   4.402
  776    HD2  TYR 101           2HD      TYR 101   6.778   3.568   1.383
  777    HE1  TYR 101           1HE      TYR 101   9.536  -0.321   2.788
  778    HE2  TYR 101           2HE      TYR 101   7.279   1.744  -0.226
  779    HH   TYR 101           HH       TYR 101   9.533  -0.202  -0.166
  780    H    ASN 102           H        ASN 102   8.221   4.648   7.378
  781    HA   ASN 102           HA       ASN 102   8.501   6.670   8.610
  782   1HB   ASN 102          2HB       ASN 102  10.225   7.454   6.838
  783   2HB   ASN 102          1HB       ASN 102   8.854   8.173   5.991
  784   1HD2  ASN 102          1HD2      ASN 102   7.544   9.793   7.183
  785   2HD2  ASN 102          2HD2      ASN 102   8.281  10.710   8.415
  786    H    GLN 103           H        GLN 103   6.160   5.703   8.462
  787    HA   GLN 103           HA       GLN 103   3.906   5.962   8.004
  788   1HB   GLN 103          2HB       GLN 103   5.070   8.624   8.605
  789   2HB   GLN 103          1HB       GLN 103   3.441   8.632   7.922
  790   1HG   GLN 103          2HG       GLN 103   4.246   6.921  10.290
  791   2HG   GLN 103          1HG       GLN 103   3.538   8.536  10.468
  792   1HE2  GLN 103          1HE2      GLN 103   2.342   7.030   7.668
  793   2HE2  GLN 103          2HE2      GLN 103   0.903   6.418   8.305
  794    H    LYS 104           H        LYS 104   5.107   5.214   5.913
  795    HA   LYS 104           HA       LYS 104   5.149   5.058   3.638
  796   1HB   LYS 104          2HB       LYS 104   2.833   4.996   3.728
  797   2HB   LYS 104          1HB       LYS 104   2.695   6.655   4.235
  798   1HG   LYS 104          2HG       LYS 104   2.016   6.147   1.836
  799   2HG   LYS 104          1HG       LYS 104   3.181   7.468   2.017
  800   1HD   LYS 104          2HD       LYS 104   4.986   6.068   1.258
  801   2HD   LYS 104          1HD       LYS 104   4.088   4.591   1.600
  802   1HE   LYS 104          2HE       LYS 104   2.629   4.956  -0.259
  803   2HE   LYS 104          1HE       LYS 104   3.242   6.590  -0.505
  804   1HZ   LYS 104          1HZ       LYS 104   4.868   5.798  -1.760
  805   2HZ   LYS 104          2HZ       LYS 104   4.186   4.247  -1.641
  806   3HZ   LYS 104          3HZ       LYS 104   5.375   4.741  -0.534
  807    H    TYR 105           H        TYR 105   4.044   8.456   3.635
  808    HA   TYR 105           HA       TYR 105   6.814   9.322   3.083
  809   1HB   TYR 105          2HB       TYR 105   4.916   8.828   0.962
  810   2HB   TYR 105          1HB       TYR 105   5.213  10.561   1.033
  811    HD1  TYR 105           1HD      TYR 105   6.914   7.253   0.798
  812    HD2  TYR 105           2HD      TYR 105   7.245  11.497   0.251
  813    HE1  TYR 105           1HE      TYR 105   9.086   6.932  -0.330
  814    HE2  TYR 105           2HE      TYR 105   9.425  11.177  -0.887
  815    HH   TYR 105           HH       TYR 105  10.974   9.721  -1.512
  816    H    GLY 106           H        GLY 106   4.360   9.736   4.936
  817   1HA   GLY 106          2HA       GLY 106   4.835  12.597   5.311
  818   2HA   GLY 106          1HA       GLY 106   3.196  12.211   4.795
  Start of MODEL    7
    1    HA   ALA   1           HA       ALA   1 -15.600   9.912   3.615
    2   1HB   ALA   1          1HB       ALA   1 -16.119  11.359   1.014
    3   2HB   ALA   1          2HB       ALA   1 -17.276  10.249   1.747
    4   3HB   ALA   1          3HB       ALA   1 -15.694   9.662   1.230
    5    H    ASP   2           H        ASP   2 -14.291  12.130   4.710
    6    HA   ASP   2           HA       ASP   2 -12.303  13.171   2.881
    7   1HB   ASP   2          2HB       ASP   2 -11.328  13.508   5.480
    8   2HB   ASP   2          1HB       ASP   2 -12.319  14.673   4.618
    9    H    LEU   3           H        LEU   3  -9.857  12.797   3.881
   10    HA   LEU   3           HA       LEU   3  -9.105  10.184   3.162
   11   1HB   LEU   3          2HB       LEU   3  -7.809  12.276   4.874
   12   2HB   LEU   3          1HB       LEU   3  -7.053  10.706   4.721
   13    HG   LEU   3           HG       LEU   3  -6.293  12.571   3.107
   14   1HD1  LEU   3          1HD1      LEU   3  -7.018   9.753   2.380
   15   2HD1  LEU   3          2HD1      LEU   3  -5.436  10.500   2.562
   16   3HD1  LEU   3          3HD1      LEU   3  -6.398  10.823   1.125
   17   1HD2  LEU   3          1HD2      LEU   3  -8.750  11.759   1.535
   18   2HD2  LEU   3          2HD2      LEU   3  -7.613  13.058   1.200
   19   3HD2  LEU   3          3HD2      LEU   3  -8.725  13.198   2.554
   20    H    GLU   4           H        GLU   4 -10.453   8.680   4.113
   21    HA   GLU   4           HA       GLU   4  -9.654   7.588   6.625
   22   1HB   GLU   4          2HB       GLU   4 -11.488   8.099   8.035
   23   2HB   GLU   4          1HB       GLU   4 -11.107   9.647   7.294
   24   1HG   GLU   4          2HG       GLU   4 -12.871   8.994   5.507
   25   2HG   GLU   4          1HG       GLU   4 -13.392   7.776   6.667
   26    H    ASP   5           H        ASP   5 -12.052   7.948   4.083
   27    HA   ASP   5           HA       ASP   5 -13.057   5.232   4.412
   28   1HB   ASP   5          2HB       ASP   5 -14.497   6.979   3.408
   29   2HB   ASP   5          1HB       ASP   5 -13.342   7.176   2.090
   30    H    ASN   6           H        ASN   6 -10.387   6.813   2.759
   31    HA   ASN   6           HA       ASN   6  -9.915   4.774   0.787
   32   1HB   ASN   6          2HB       ASN   6  -8.356   6.422   0.362
   33   2HB   ASN   6          1HB       ASN   6  -8.377   6.979   2.033
   34   1HD2  ASN   6          1HD2      ASN   6  -7.267   5.131   3.556
   35   2HD2  ASN   6          2HD2      ASN   6  -5.773   4.587   2.976
   36    H    TRP   7           H        TRP   7  -9.031   5.168   4.171
   37    HA   TRP   7           HA       TRP   7  -7.578   2.758   4.536
   38   1HB   TRP   7          2HB       TRP   7  -9.000   4.733   6.242
   39   2HB   TRP   7          1HB       TRP   7  -8.859   3.139   6.964
   40    HD1  TRP   7           HD       TRP   7  -6.587   5.649   5.125
   41    HE1  TRP   7           1HE      TRP   7  -4.271   5.654   6.248
   42    HE3  TRP   7           3HE      TRP   7  -7.318   2.045   8.660
   43    HZ2  TRP   7           2HZ      TRP   7  -2.897   4.315   8.366
   44    HZ3  TRP   7           3HZ      TRP   7  -5.486   1.421  10.211
   45    HH2  TRP   7           HH       TRP   7  -3.278   2.547  10.066
   46    H    GLU   8           H        GLU   8 -11.050   3.472   4.585
   47    HA   GLU   8           HA       GLU   8 -11.964   0.955   5.541
   48   1HB   GLU   8          2HB       GLU   8 -13.342   3.062   5.208
   49   2HB   GLU   8          1HB       GLU   8 -13.372   2.670   3.496
   50   1HG   GLU   8          2HG       GLU   8 -14.204   0.494   5.384
   51   2HG   GLU   8          1HG       GLU   8 -15.307   1.850   5.195
   52    H    THR   9           H        THR   9 -11.363   2.103   2.213
   53    HA   THR   9           HA       THR   9 -12.141  -0.258   0.854
   54    HB   THR   9           HB       THR   9  -9.687   1.320   0.026
   55    HG1  THR   9           1HG      THR   9 -10.849   3.045  -0.242
   56   1HG2  THR   9          1HG2      THR   9 -12.055   0.202  -1.516
   57   2HG2  THR   9          2HG2      THR   9 -10.500  -0.608  -1.341
   58   3HG2  THR   9          3HG2      THR   9 -10.604   0.926  -2.211
   59    H    LEU  10           H        LEU  10  -8.953   0.695   2.080
   60    HA   LEU  10           HA       LEU  10  -7.645  -1.793   1.548
   61   1HB   LEU  10          2HB       LEU  10  -7.158   0.632   3.219
   62   2HB   LEU  10          1HB       LEU  10  -6.204  -0.794   3.603
   63    HG   LEU  10           HG       LEU  10  -5.043   0.683   2.052
   64   1HD1  LEU  10          1HD1      LEU  10  -5.073  -1.975   1.854
   65   2HD1  LEU  10          2HD1      LEU  10  -4.170  -0.967   0.725
   66   3HD1  LEU  10          3HD1      LEU  10  -5.747  -1.603   0.265
   67   1HD2  LEU  10          1HD2      LEU  10  -7.425   0.217   0.261
   68   2HD2  LEU  10          2HD2      LEU  10  -5.924   0.958  -0.273
   69   3HD2  LEU  10          3HD2      LEU  10  -6.910   1.752   0.954
   70    H    ASN  11           H        ASN  11  -9.533  -0.578   4.260
   71    HA   ASN  11           HA       ASN  11  -8.887  -2.516   6.200
   72   1HB   ASN  11          2HB       ASN  11 -10.453  -0.498   6.413
   73   2HB   ASN  11          1HB       ASN  11 -11.697  -1.534   5.692
   74   1HD2  ASN  11          1HD2      ASN  11  -9.697  -3.612   7.355
   75   2HD2  ASN  11          2HD2      ASN  11 -10.503  -3.657   8.848
   76    H    ASP  12           H        ASP  12 -11.759  -2.592   4.116
   77    HA   ASP  12           HA       ASP  12 -12.524  -5.245   4.614
   78   1HB   ASP  12          2HB       ASP  12 -12.781  -3.549   2.147
   79   2HB   ASP  12          1HB       ASP  12 -13.560  -5.124   2.300
   80    H    ASN  13           H        ASN  13  -9.853  -4.035   2.690
   81    HA   ASN  13           HA       ASN  13  -9.687  -6.396   1.040
   82   1HB   ASN  13          2HB       ASN  13  -7.805  -4.152   1.671
   83   2HB   ASN  13          1HB       ASN  13  -7.120  -5.613   0.987
   84   1HD2  ASN  13          1HD2      ASN  13  -9.392  -2.960   0.354
   85   2HD2  ASN  13          2HD2      ASN  13  -9.491  -3.215  -1.321
   86    H    LEU  14           H        LEU  14  -7.806  -5.450   3.952
   87    HA   LEU  14           HA       LEU  14  -6.501  -7.937   4.349
   88   1HB   LEU  14          2HB       LEU  14  -7.379  -5.752   6.232
   89   2HB   LEU  14          1HB       LEU  14  -6.538  -7.182   6.821
   90    HG   LEU  14           HG       LEU  14  -5.036  -5.208   6.350
   91   1HD1  LEU  14          1HD1      LEU  14  -4.276  -7.348   4.391
   92   2HD1  LEU  14          2HD1      LEU  14  -4.410  -7.760   6.102
   93   3HD1  LEU  14          3HD1      LEU  14  -3.286  -6.513   5.579
   94   1HD2  LEU  14          1HD2      LEU  14  -6.328  -4.460   4.330
   95   2HD2  LEU  14          2HD2      LEU  14  -5.628  -5.803   3.441
   96   3HD2  LEU  14          3HD2      LEU  14  -4.594  -4.535   4.086
   97    H    LYS  15           H        LYS  15  -9.691  -6.821   5.135
   98    HA   LYS  15           HA       LYS  15 -10.483  -8.751   7.031
   99   1HB   LYS  15          2HB       LYS  15 -11.685  -6.649   6.275
  100   2HB   LYS  15          1HB       LYS  15 -12.216  -7.548   4.860
  101   1HG   LYS  15          2HG       LYS  15 -13.256  -9.235   6.394
  102   2HG   LYS  15          1HG       LYS  15 -12.835  -8.192   7.753
  103   1HD   LYS  15          2HD       LYS  15 -14.987  -7.409   7.329
  104   2HD   LYS  15          1HD       LYS  15 -14.076  -6.335   6.266
  105   1HE   LYS  15          2HE       LYS  15 -15.742  -7.125   4.829
  106   2HE   LYS  15          1HE       LYS  15 -14.432  -8.258   4.494
  107   1HZ   LYS  15          1HZ       LYS  15 -15.585  -9.938   5.359
  108   2HZ   LYS  15          2HZ       LYS  15 -16.945  -8.921   5.273
  109   3HZ   LYS  15          3HZ       LYS  15 -16.062  -9.043   6.720
  110    H    VAL  16           H        VAL  16 -11.028  -8.865   3.469
  111    HA   VAL  16           HA       VAL  16 -12.126 -11.482   3.611
  112    HB   VAL  16           HB       VAL  16 -11.165  -9.663   1.427
  113   1HG1  VAL  16          1HG1      VAL  16 -10.430 -11.841   0.617
  114   2HG1  VAL  16          2HG1      VAL  16 -11.914 -11.408  -0.227
  115   3HG1  VAL  16          3HG1      VAL  16 -11.959 -12.571   1.095
  116   1HG2  VAL  16          1HG2      VAL  16 -13.401  -9.397   2.431
  117   2HG2  VAL  16          2HG2      VAL  16 -13.787 -11.063   2.004
  118   3HG2  VAL  16          3HG2      VAL  16 -13.513  -9.868   0.734
  119    H    ILE  17           H        ILE  17  -8.777 -10.513   2.536
  120    HA   ILE  17           HA       ILE  17  -7.930 -13.159   2.028
  121    HB   ILE  17           HB       ILE  17  -5.745 -11.804   3.418
  122   1HG1  ILE  17          2HG1      ILE  17  -7.247 -10.128   1.380
  123   2HG1  ILE  17          1HG1      ILE  17  -7.104  -9.771   3.098
  124   1HG2  ILE  17          1HG2      ILE  17  -4.695 -11.893   1.219
  125   2HG2  ILE  17          2HG2      ILE  17  -6.255 -12.180   0.450
  126   3HG2  ILE  17          3HG2      ILE  17  -5.555 -13.400   1.513
  127   1HD1  ILE  17          1HD1      ILE  17  -5.263  -8.577   2.527
  128   2HD1  ILE  17          2HD1      ILE  17  -5.180  -9.313   0.934
  129   3HD1  ILE  17          3HD1      ILE  17  -4.451 -10.123   2.319
  130    H    GLU  18           H        GLU  18  -7.988 -11.409   5.107
  131    HA   GLU  18           HA       GLU  18  -6.972 -13.519   6.742
  132   1HB   GLU  18          2HB       GLU  18  -8.988 -11.351   7.425
  133   2HB   GLU  18          1HB       GLU  18  -8.122 -12.333   8.601
  134   1HG   GLU  18          2HG       GLU  18  -6.478 -10.845   6.571
  135   2HG   GLU  18          1HG       GLU  18  -7.230  -9.904   7.853
  136    H    LYS  19           H        LYS  19 -10.077 -12.944   5.261
  137    HA   LYS  19           HA       LYS  19 -11.168 -15.430   6.554
  138   1HB   LYS  19          2HB       LYS  19 -12.605 -12.892   5.707
  139   2HB   LYS  19          1HB       LYS  19 -13.403 -14.338   6.329
  140   1HG   LYS  19          2HG       LYS  19 -12.633 -14.002   8.502
  141   2HG   LYS  19          1HG       LYS  19 -11.184 -13.150   7.975
  142   1HD   LYS  19          2HD       LYS  19 -12.807 -11.649   9.113
  143   2HD   LYS  19          1HD       LYS  19 -12.495 -11.152   7.453
  144   1HE   LYS  19          2HE       LYS  19 -14.914 -11.079   8.002
  145   2HE   LYS  19          1HE       LYS  19 -14.585 -12.245   6.726
  146   1HZ   LYS  19          1HZ       LYS  19 -15.863 -12.721   9.112
  147   2HZ   LYS  19          2HZ       LYS  19 -14.332 -13.438   9.288
  148   3HZ   LYS  19          3HZ       LYS  19 -15.338 -13.882   7.992
  149    H    ALA  20           H        ALA  20  -9.614 -15.244   4.127
  150    HA   ALA  20           HA       ALA  20 -11.187 -15.131   1.763
  151   1HB   ALA  20          1HB       ALA  20  -9.220 -15.675   0.704
  152   2HB   ALA  20          2HB       ALA  20  -8.890 -17.029   1.789
  153   3HB   ALA  20          3HB       ALA  20  -8.542 -15.385   2.305
  154    H    ASP  21           H        ASP  21 -10.606 -17.789   4.006
  155    HA   ASP  21           HA       ASP  21 -11.756 -19.825   4.235
  156   1HB   ASP  21          2HB       ASP  21 -13.468 -19.202   1.834
  157   2HB   ASP  21          1HB       ASP  21 -13.895 -20.051   3.320
  158    H    ASN  22           H        ASN  22 -10.755 -18.729   1.044
  159    HA   ASN  22           HA       ASN  22  -9.461 -21.339   0.587
  160   1HB   ASN  22          2HB       ASN  22 -11.207 -20.319  -1.650
  161   2HB   ASN  22          1HB       ASN  22 -10.584 -21.946  -1.374
  162   1HD2  ASN  22          1HD2      ASN  22 -13.126 -19.671  -0.503
  163   2HD2  ASN  22          2HD2      ASN  22 -14.086 -20.783   0.348
  164    H    ALA  23           H        ALA  23  -7.755 -21.187  -0.949
  165    HA   ALA  23           HA       ALA  23  -6.402 -18.718  -1.144
  166   1HB   ALA  23          1HB       ALA  23  -4.936 -19.784  -2.696
  167   2HB   ALA  23          2HB       ALA  23  -6.195 -20.895  -3.235
  168   3HB   ALA  23          3HB       ALA  23  -5.494 -21.070  -1.627
  169    H    ALA  24           H        ALA  24  -9.137 -19.847  -2.876
  170    HA   ALA  24           HA       ALA  24  -8.771 -18.338  -5.302
  171   1HB   ALA  24          1HB       ALA  24 -11.240 -19.436  -3.930
  172   2HB   ALA  24          2HB       ALA  24 -10.380 -20.124  -5.306
  173   3HB   ALA  24          3HB       ALA  24 -11.289 -18.624  -5.494
  174    H    GLN  25           H        GLN  25 -10.870 -17.658  -2.434
  175    HA   GLN  25           HA       GLN  25 -11.510 -15.016  -3.329
  176   1HB   GLN  25          2HB       GLN  25 -11.546 -16.238  -0.563
  177   2HB   GLN  25          1HB       GLN  25 -12.189 -14.643  -0.938
  178   1HG   GLN  25          2HG       GLN  25 -14.158 -15.773  -1.310
  179   2HG   GLN  25          1HG       GLN  25 -13.445 -16.156  -2.871
  180   1HE2  GLN  25          1HE2      GLN  25 -12.979 -18.355  -3.307
  181   2HE2  GLN  25          2HE2      GLN  25 -13.191 -19.603  -2.176
  182    H    VAL  26           H        VAL  26  -8.569 -16.228  -2.114
  183    HA   VAL  26           HA       VAL  26  -7.679 -13.837  -0.736
  184    HB   VAL  26           HB       VAL  26  -6.293 -16.242  -1.937
  185   1HG1  VAL  26          1HG1      VAL  26  -4.688 -14.550  -2.322
  186   2HG1  VAL  26          2HG1      VAL  26  -4.200 -15.300  -0.804
  187   3HG1  VAL  26          3HG1      VAL  26  -5.047 -13.753  -0.791
  188   1HG2  VAL  26          1HG2      VAL  26  -7.257 -16.783   0.147
  189   2HG2  VAL  26          2HG2      VAL  26  -6.788 -15.242   0.856
  190   3HG2  VAL  26          3HG2      VAL  26  -5.566 -16.460   0.518
  191    H    LYS  27           H        LYS  27  -7.115 -15.224  -3.956
  192    HA   LYS  27           HA       LYS  27  -5.600 -13.125  -5.083
  193   1HB   LYS  27          2HB       LYS  27  -7.692 -14.756  -6.552
  194   2HB   LYS  27          1HB       LYS  27  -6.254 -13.998  -7.237
  195   1HG   LYS  27          2HG       LYS  27  -4.802 -15.532  -6.166
  196   2HG   LYS  27          1HG       LYS  27  -6.049 -16.094  -5.067
  197   1HD   LYS  27          2HD       LYS  27  -5.605 -17.720  -6.897
  198   2HD   LYS  27          1HD       LYS  27  -7.269 -17.135  -6.896
  199   1HE   LYS  27          2HE       LYS  27  -6.870 -15.682  -8.737
  200   2HE   LYS  27          1HE       LYS  27  -5.119 -15.849  -8.585
  201   1HZ   LYS  27          1HZ       LYS  27  -6.529 -17.238 -10.323
  202   2HZ   LYS  27          2HZ       LYS  27  -6.660 -18.291  -8.995
  203   3HZ   LYS  27          3HZ       LYS  27  -5.130 -17.859  -9.593
  204    H    ASP  28           H        ASP  28  -9.074 -13.531  -4.759
  205    HA   ASP  28           HA       ASP  28  -9.951 -11.346  -6.343
  206   1HB   ASP  28          2HB       ASP  28 -11.167 -13.257  -4.811
  207   2HB   ASP  28          1HB       ASP  28 -11.432 -11.853  -3.803
  208    H    ALA  29           H        ALA  29  -9.586 -11.385  -2.796
  209    HA   ALA  29           HA       ALA  29  -9.903  -8.620  -2.406
  210   1HB   ALA  29          1HB       ALA  29  -8.355  -9.033  -0.363
  211   2HB   ALA  29          2HB       ALA  29  -8.368 -10.717  -0.894
  212   3HB   ALA  29          3HB       ALA  29  -9.873  -9.913  -0.465
  213    H    LEU  30           H        LEU  30  -6.839 -10.383  -3.003
  214    HA   LEU  30           HA       LEU  30  -5.196  -8.088  -2.820
  215   1HB   LEU  30          2HB       LEU  30  -4.871 -10.701  -4.279
  216   2HB   LEU  30          1HB       LEU  30  -3.609  -9.456  -4.332
  217    HG   LEU  30           HG       LEU  30  -4.760 -10.336  -1.667
  218   1HD1  LEU  30          1HD1      LEU  30  -3.991 -12.374  -2.957
  219   2HD1  LEU  30          2HD1      LEU  30  -3.121 -12.074  -1.454
  220   3HD1  LEU  30          3HD1      LEU  30  -2.387 -11.646  -2.994
  221   1HD2  LEU  30          1HD2      LEU  30  -2.378  -9.766  -0.977
  222   2HD2  LEU  30          2HD2      LEU  30  -3.321  -8.401  -1.562
  223   3HD2  LEU  30          3HD2      LEU  30  -2.123  -9.160  -2.610
  224    H    THR  31           H        THR  31  -7.186  -9.249  -5.477
  225    HA   THR  31           HA       THR  31  -6.000  -7.543  -7.471
  226    HB   THR  31           HB       THR  31  -8.641  -8.983  -7.220
  227    HG1  THR  31           1HG      THR  31  -7.664  -9.940  -9.171
  228   1HG2  THR  31          1HG2      THR  31  -9.276  -7.052  -8.443
  229   2HG2  THR  31          2HG2      THR  31  -8.955  -8.286  -9.661
  230   3HG2  THR  31          3HG2      THR  31  -7.759  -7.030  -9.339
  231    H    LYS  32           H        LYS  32  -8.515  -7.136  -5.020
  232    HA   LYS  32           HA       LYS  32  -9.371  -4.539  -6.016
  233   1HB   LYS  32          2HB       LYS  32  -9.698  -5.232  -3.105
  234   2HB   LYS  32          1HB       LYS  32 -10.825  -4.429  -4.190
  235   1HG   LYS  32          2HG       LYS  32 -10.122  -7.363  -4.327
  236   2HG   LYS  32          1HG       LYS  32 -11.533  -6.736  -3.509
  237   1HD   LYS  32          2HD       LYS  32 -12.653  -6.278  -5.475
  238   2HD   LYS  32          1HD       LYS  32 -11.186  -5.877  -6.352
  239   1HE   LYS  32          2HE       LYS  32 -10.801  -8.070  -6.988
  240   2HE   LYS  32          1HE       LYS  32 -11.539  -8.748  -5.538
  241   1HZ   LYS  32          1HZ       LYS  32 -13.140  -7.321  -7.573
  242   2HZ   LYS  32          2HZ       LYS  32 -13.671  -8.399  -6.372
  243   3HZ   LYS  32          3HZ       LYS  32 -12.799  -8.977  -7.712
  244    H    MET  33           H        MET  33  -6.956  -5.756  -3.768
  245    HA   MET  33           HA       MET  33  -6.167  -3.291  -2.586
  246   1HB   MET  33          2HB       MET  33  -4.849  -5.897  -3.162
  247   2HB   MET  33          1HB       MET  33  -3.781  -4.558  -2.798
  248   1HG   MET  33          2HG       MET  33  -5.165  -4.167  -0.701
  249   2HG   MET  33          1HG       MET  33  -5.938  -5.721  -1.025
  250   1HE   MET  33          1HE       MET  33  -3.432  -6.337   1.917
  251   2HE   MET  33          2HE       MET  33  -5.070  -6.625   1.346
  252   3HE   MET  33          3HE       MET  33  -4.496  -4.973   1.546
  253    H    ARG  34           H        ARG  34  -5.066  -4.895  -5.603
  254    HA   ARG  34           HA       ARG  34  -3.163  -3.074  -6.510
  255   1HB   ARG  34          2HB       ARG  34  -5.103  -4.906  -7.716
  256   2HB   ARG  34          1HB       ARG  34  -4.762  -3.560  -8.788
  257   1HG   ARG  34          2HG       ARG  34  -3.185  -5.309  -9.300
  258   2HG   ARG  34          1HG       ARG  34  -2.307  -4.036  -8.460
  259   1HD   ARG  34          2HD       ARG  34  -3.477  -6.350  -6.919
  260   2HD   ARG  34          1HD       ARG  34  -1.920  -6.508  -7.727
  261    HE   ARG  34           HE       ARG  34  -2.394  -5.065  -5.279
  262   1HH1  ARG  34          1HH2      ARG  34  -0.647  -5.045  -8.256
  263   2HH1  ARG  34          2HH2      ARG  34   0.684  -4.137  -7.619
  264   1HH2  ARG  34          1HH1      ARG  34  -0.662  -3.903  -4.434
  265   2HH2  ARG  34          2HH1      ARG  34   0.674  -3.492  -5.458
  266    H    ALA  35           H        ALA  35  -6.683  -2.815  -6.893
  267    HA   ALA  35           HA       ALA  35  -6.586  -0.175  -8.060
  268   1HB   ALA  35          1HB       ALA  35  -8.925  -1.322  -6.532
  269   2HB   ALA  35          2HB       ALA  35  -8.499  -1.885  -8.150
  270   3HB   ALA  35          3HB       ALA  35  -8.953  -0.199  -7.892
  271    H    ALA  36           H        ALA  36  -7.617  -1.239  -4.796
  272    HA   ALA  36           HA       ALA  36  -7.758   1.387  -3.691
  273   1HB   ALA  36          1HB       ALA  36  -8.395  -1.142  -2.823
  274   2HB   ALA  36          2HB       ALA  36  -8.403   0.287  -1.796
  275   3HB   ALA  36          3HB       ALA  36  -6.999  -0.780  -1.809
  276    H    ALA  37           H        ALA  37  -5.049  -0.748  -4.268
  277    HA   ALA  37           HA       ALA  37  -3.194   0.386  -2.394
  278   1HB   ALA  37          1HB       ALA  37  -2.635  -1.707  -3.385
  279   2HB   ALA  37          2HB       ALA  37  -1.475  -0.550  -4.036
  280   3HB   ALA  37          3HB       ALA  37  -2.845  -1.072  -5.017
  281    H    LEU  38           H        LEU  38  -3.090   0.837  -5.945
  282    HA   LEU  38           HA       LEU  38  -1.467   3.176  -5.724
  283   1HB   LEU  38          2HB       LEU  38  -3.333   2.610  -8.029
  284   2HB   LEU  38          1HB       LEU  38  -1.840   3.548  -8.034
  285    HG   LEU  38           HG       LEU  38  -1.913   0.596  -7.347
  286   1HD1  LEU  38          1HD1      LEU  38  -0.984   0.346  -9.714
  287   2HD1  LEU  38          2HD1      LEU  38  -1.572   1.982 -10.011
  288   3HD1  LEU  38          3HD1      LEU  38  -2.708   0.697  -9.592
  289   1HD2  LEU  38          1HD2      LEU  38   0.099   1.663  -6.573
  290   2HD2  LEU  38          2HD2      LEU  38   0.267   2.576  -8.071
  291   3HD2  LEU  38          3HD2      LEU  38   0.521   0.831  -8.070
  292    H    ASP  39           H        ASP  39  -4.875   2.690  -5.357
  293    HA   ASP  39           HA       ASP  39  -5.728   5.371  -5.961
  294   1HB   ASP  39          2HB       ASP  39  -7.294   3.410  -5.556
  295   2HB   ASP  39          1HB       ASP  39  -6.907   3.546  -3.839
  296    H    ALA  40           H        ALA  40  -4.449   3.741  -3.094
  297    HA   ALA  40           HA       ALA  40  -4.650   5.943  -1.300
  298   1HB   ALA  40          1HB       ALA  40  -2.812   4.848  -0.056
  299   2HB   ALA  40          2HB       ALA  40  -2.509   3.791  -1.435
  300   3HB   ALA  40          3HB       ALA  40  -4.031   3.672  -0.547
  301    H    GLN  41           H        GLN  41  -2.427   5.150  -3.924
  302    HA   GLN  41           HA       GLN  41  -0.326   6.986  -3.467
  303   1HB   GLN  41          2HB       GLN  41  -0.808   5.365  -5.550
  304   2HB   GLN  41          1HB       GLN  41  -1.546   6.810  -6.235
  305   1HG   GLN  41          2HG       GLN  41   1.317   6.550  -5.258
  306   2HG   GLN  41          1HG       GLN  41   0.776   6.731  -6.927
  307   1HE2  GLN  41          1HE2      GLN  41  -0.542   8.820  -7.352
  308   2HE2  GLN  41          2HE2      GLN  41  -0.055  10.219  -6.523
  309    H    LYS  42           H        LYS  42  -3.579   7.439  -4.686
  310    HA   LYS  42           HA       LYS  42  -3.204  10.397  -4.840
  311   1HB   LYS  42          2HB       LYS  42  -5.684   8.858  -5.622
  312   2HB   LYS  42          1HB       LYS  42  -5.139  10.432  -6.197
  313   1HG   LYS  42          2HG       LYS  42  -3.085   9.215  -7.127
  314   2HG   LYS  42          1HG       LYS  42  -3.976   7.722  -6.843
  315   1HD   LYS  42          2HD       LYS  42  -5.737   8.382  -8.342
  316   2HD   LYS  42          1HD       LYS  42  -5.096  10.021  -8.471
  317   1HE   LYS  42          2HE       LYS  42  -4.386   8.913 -10.453
  318   2HE   LYS  42          1HE       LYS  42  -2.968   8.957  -9.407
  319   1HZ   LYS  42          1HZ       LYS  42  -2.910   6.771  -9.821
  320   2HZ   LYS  42          2HZ       LYS  42  -4.540   6.698 -10.293
  321   3HZ   LYS  42          3HZ       LYS  42  -4.127   6.670  -8.645
  322    H    ALA  43           H        ALA  43  -3.854   8.384  -2.401
  323    HA   ALA  43           HA       ALA  43  -5.297  10.373  -0.874
  324   1HB   ALA  43          1HB       ALA  43  -6.713   7.734  -1.292
  325   2HB   ALA  43          2HB       ALA  43  -7.131   9.190  -2.193
  326   3HB   ALA  43          3HB       ALA  43  -7.312   9.156  -0.441
  327    H    THR  44           H        THR  44  -3.164   9.896   0.115
  328    HA   THR  44           HA       THR  44  -3.173   7.410   1.796
  329    HB   THR  44           HB       THR  44  -1.325   7.274   0.353
  330    HG1  THR  44           1HG      THR  44   0.502   7.941   1.680
  331   1HG2  THR  44          1HG2      THR  44  -1.319  10.252   0.558
  332   2HG2  THR  44          2HG2      THR  44  -1.151   9.223  -0.859
  333   3HG2  THR  44          3HG2      THR  44   0.215   9.454   0.229
  334    HA   PRO  45           HA       PRO  45  -3.578   9.579   5.605
  335   1HB   PRO  45          2HB       PRO  45  -0.706   8.775   6.107
  336   2HB   PRO  45          1HB       PRO  45  -2.079   8.796   7.230
  337   1HG   PRO  45          2HG       PRO  45  -1.338   6.539   6.057
  338   2HG   PRO  45          1HG       PRO  45  -3.050   6.925   6.290
  339   1HD   PRO  45          2HD       PRO  45  -1.472   6.899   3.773
  340   2HD   PRO  45          1HD       PRO  45  -3.221   6.697   3.996
  341    HA   PRO  46           HA       PRO  46  -0.490  13.063   4.969
  342   1HB   PRO  46          2HB       PRO  46   1.751  12.568   3.339
  343   2HB   PRO  46          1HB       PRO  46   1.697  12.351   5.098
  344   1HG   PRO  46          2HG       PRO  46   1.991  10.304   3.177
  345   2HG   PRO  46          1HG       PRO  46   1.650  10.092   4.906
  346   1HD   PRO  46          2HD       PRO  46  -0.267  10.137   2.597
  347   2HD   PRO  46          1HD       PRO  46  -0.260   9.096   4.037
  348    H    LYS  47           H        LYS  47  -2.054  11.612   2.518
  349    HA   LYS  47           HA       LYS  47  -2.619  12.152   0.321
  350   1HB   LYS  47          2HB       LYS  47  -2.609  15.076   0.788
  351   2HB   LYS  47          1HB       LYS  47  -3.928  14.020   0.323
  352   1HG   LYS  47          2HG       LYS  47  -4.686  14.578   2.418
  353   2HG   LYS  47          1HG       LYS  47  -3.706  13.197   2.870
  354   1HD   LYS  47          2HD       LYS  47  -2.509  14.558   4.263
  355   2HD   LYS  47          1HD       LYS  47  -1.920  15.453   2.867
  356   1HE   LYS  47          2HE       LYS  47  -3.906  16.913   2.959
  357   2HE   LYS  47          1HE       LYS  47  -4.505  16.013   4.351
  358   1HZ   LYS  47          1HZ       LYS  47  -3.179  18.152   4.753
  359   2HZ   LYS  47          2HZ       LYS  47  -1.813  17.216   4.377
  360   3HZ   LYS  47          3HZ       LYS  47  -2.803  16.789   5.690
  361    H    LEU  48           H        LEU  48   0.317  12.217   1.037
  362    HA   LEU  48           HA       LEU  48   2.342  12.945   0.135
  363   1HB   LEU  48          2HB       LEU  48   1.368  11.531  -1.694
  364   2HB   LEU  48          1HB       LEU  48   0.645  12.965  -2.391
  365    HG   LEU  48           HG       LEU  48   2.847  12.116  -3.422
  366   1HD1  LEU  48          1HD1      LEU  48   3.112  14.983  -2.541
  367   2HD1  LEU  48          2HD1      LEU  48   1.818  14.492  -3.634
  368   3HD1  LEU  48          3HD1      LEU  48   3.497  14.254  -4.095
  369   1HD2  LEU  48          1HD2      LEU  48   3.915  11.825  -1.105
  370   2HD2  LEU  48          2HD2      LEU  48   4.161  13.574  -1.130
  371   3HD2  LEU  48          3HD2      LEU  48   4.903  12.559  -2.363
  372    H    GLU  49           H        GLU  49   0.499  14.770  -2.265
  373    HA   GLU  49           HA       GLU  49   1.885  17.201  -1.633
  374   1HB   GLU  49          2HB       GLU  49  -0.106  18.216  -2.998
  375   2HB   GLU  49          1HB       GLU  49   1.046  17.165  -3.822
  376   1HG   GLU  49          2HG       GLU  49  -0.426  15.337  -3.846
  377   2HG   GLU  49          1HG       GLU  49  -1.407  15.985  -2.532
  378    H    ASP  50           H        ASP  50   1.644  18.041   0.369
  379    HA   ASP  50           HA       ASP  50  -1.024  18.031   1.684
  380   1HB   ASP  50          2HB       ASP  50   0.860  17.418   3.096
  381   2HB   ASP  50          1HB       ASP  50   1.739  18.874   2.626
  382    H    LYS  51           H        LYS  51   0.524  19.844  -0.541
  383    HA   LYS  51           HA       LYS  51  -1.167  22.161  -0.127
  384   1HB   LYS  51          2HB       LYS  51   0.834  23.752  -0.005
  385   2HB   LYS  51          1HB       LYS  51   0.446  22.866   1.466
  386   1HG   LYS  51          2HG       LYS  51   2.288  21.259  -0.118
  387   2HG   LYS  51          1HG       LYS  51   2.946  22.884   0.043
  388   1HD   LYS  51          2HD       LYS  51   2.791  22.773   2.464
  389   2HD   LYS  51          1HD       LYS  51   1.953  21.222   2.378
  390   1HE   LYS  51          2HE       LYS  51   3.902  20.127   1.484
  391   2HE   LYS  51          1HE       LYS  51   4.732  21.667   1.255
  392   1HZ   LYS  51          1HZ       LYS  51   3.898  20.554   3.878
  393   2HZ   LYS  51          2HZ       LYS  51   4.767  21.992   3.627
  394   3HZ   LYS  51          3HZ       LYS  51   5.472  20.493   3.252
  395    H    SER  52           H        SER  52   2.086  22.023  -1.572
  396    HA   SER  52           HA       SER  52   1.202  21.388  -4.215
  397   1HB   SER  52          2HB       SER  52   1.509  24.289  -3.455
  398   2HB   SER  52          1HB       SER  52   1.767  23.756  -5.114
  399    HG   SER  52           HG       SER  52  -0.523  22.845  -3.825
  400    HA   PRO  53           HA       PRO  53   5.765  21.193  -3.170
  401   1HB   PRO  53          2HB       PRO  53   5.480  18.408  -4.186
  402   2HB   PRO  53          1HB       PRO  53   6.167  18.973  -2.656
  403   1HG   PRO  53          2HG       PRO  53   3.820  17.697  -2.766
  404   2HG   PRO  53          1HG       PRO  53   4.124  18.987  -1.589
  405   1HD   PRO  53          2HD       PRO  53   2.588  19.126  -4.176
  406   2HD   PRO  53          1HD       PRO  53   2.200  19.849  -2.598
  407    H    ASP  54           H        ASP  54   4.712  19.022  -5.765
  408    HA   ASP  54           HA       ASP  54   5.922  20.825  -7.813
  409   1HB   ASP  54          2HB       ASP  54   6.399  17.830  -7.588
  410   2HB   ASP  54          1HB       ASP  54   7.011  18.883  -8.866
  411    H    SER  55           H        SER  55   4.163  17.835  -7.213
  412    HA   SER  55           HA       SER  55   1.992  17.250  -7.786
  413   1HB   SER  55          2HB       SER  55   0.584  18.689  -8.768
  414   2HB   SER  55          1HB       SER  55   1.908  19.782  -9.066
  415    HG   SER  55           HG       SER  55   0.493  18.700 -10.855
  416    HA   PRO  56           HA       PRO  56   3.196  15.288 -11.990
  417   1HB   PRO  56          2HB       PRO  56   5.971  16.288 -12.465
  418   2HB   PRO  56          1HB       PRO  56   4.649  16.054 -13.626
  419   1HG   PRO  56          2HG       PRO  56   5.402  18.493 -12.871
  420   2HG   PRO  56          1HG       PRO  56   3.692  18.101 -13.148
  421   1HD   PRO  56          2HD       PRO  56   5.167  18.359 -10.537
  422   2HD   PRO  56          1HD       PRO  56   3.546  18.925 -10.983
  423    H    GLU  57           H        GLU  57   6.123  16.085 -10.105
  424    HA   GLU  57           HA       GLU  57   7.265  13.498 -10.039
  425   1HB   GLU  57          2HB       GLU  57   7.687  16.060  -8.752
  426   2HB   GLU  57          1HB       GLU  57   7.849  14.790  -7.544
  427   1HG   GLU  57          2HG       GLU  57  10.027  15.144  -8.512
  428   2HG   GLU  57          1HG       GLU  57   9.426  13.608  -9.137
  429    H    MET  58           H        MET  58   4.289  14.374  -8.863
  430    HA   MET  58           HA       MET  58   4.183  13.056  -6.334
  431   1HB   MET  58          2HB       MET  58   2.380  14.529  -7.119
  432   2HB   MET  58          1HB       MET  58   2.014  13.409  -8.428
  433   1HG   MET  58          2HG       MET  58   1.219  11.748  -6.941
  434   2HG   MET  58          1HG       MET  58   1.962  12.526  -5.544
  435   1HE   MET  58          1HE       MET  58  -1.245  11.555  -6.143
  436   2HE   MET  58          2HE       MET  58  -1.907  12.707  -4.987
  437   3HE   MET  58          3HE       MET  58  -0.404  11.866  -4.619
  438    H    LYS  59           H        LYS  59   3.705  11.842  -9.664
  439    HA   LYS  59           HA       LYS  59   2.932   9.210  -8.930
  440   1HB   LYS  59          2HB       LYS  59   3.362  10.452 -11.340
  441   2HB   LYS  59          1HB       LYS  59   4.790   9.425 -11.264
  442   1HG   LYS  59          2HG       LYS  59   3.295   7.932 -12.242
  443   2HG   LYS  59          1HG       LYS  59   2.992   7.561 -10.541
  444   1HD   LYS  59          2HD       LYS  59   1.209   9.529 -10.771
  445   2HD   LYS  59          1HD       LYS  59   1.306   9.133 -12.485
  446   1HE   LYS  59          2HE       LYS  59  -0.321   7.602 -11.949
  447   2HE   LYS  59          1HE       LYS  59   1.037   6.626 -11.393
  448   1HZ   LYS  59          1HZ       LYS  59  -0.427   6.689  -9.603
  449   2HZ   LYS  59          2HZ       LYS  59  -0.771   8.339  -9.806
  450   3HZ   LYS  59          3HZ       LYS  59   0.740   7.853  -9.205
  451    H    ASP  60           H        ASP  60   6.079  10.809  -9.022
  452    HA   ASP  60           HA       ASP  60   7.773   8.558  -8.732
  453   1HB   ASP  60          2HB       ASP  60   8.378  11.102  -8.871
  454   2HB   ASP  60          1HB       ASP  60   8.205  11.082  -7.117
  455    H    PHE  61           H        PHE  61   5.772  10.304  -6.397
  456    HA   PHE  61           HA       PHE  61   6.589   8.941  -4.045
  457   1HB   PHE  61          2HB       PHE  61   4.828  10.896  -4.422
  458   2HB   PHE  61          1HB       PHE  61   3.674   9.572  -4.525
  459    HD1  PHE  61           1HD      PHE  61   2.587   9.048  -2.528
  460    HD2  PHE  61           2HD      PHE  61   6.636  10.498  -2.371
  461    HE1  PHE  61           1HE      PHE  61   2.549   8.905  -0.055
  462    HE2  PHE  61           2HE      PHE  61   6.594  10.340   0.098
  463    HZ   PHE  61           HZ       PHE  61   4.552   9.547   1.258
  464    H    ARG  62           H        ARG  62   4.520   8.012  -6.743
  465    HA   ARG  62           HA       ARG  62   3.410   5.597  -5.709
  466   1HB   ARG  62          2HB       ARG  62   3.064   6.690  -8.066
  467   2HB   ARG  62          1HB       ARG  62   4.499   5.775  -8.527
  468   1HG   ARG  62          2HG       ARG  62   3.269   3.721  -7.484
  469   2HG   ARG  62          1HG       ARG  62   1.829   4.742  -7.600
  470   1HD   ARG  62          2HD       ARG  62   2.008   4.915  -9.970
  471   2HD   ARG  62          1HD       ARG  62   3.632   4.226  -9.976
  472    HE   ARG  62           HE       ARG  62   2.178   2.191  -8.889
  473   1HH1  ARG  62          1HH2      ARG  62   1.709   4.253 -11.618
  474   2HH1  ARG  62          2HH2      ARG  62   0.844   3.063 -12.532
  475   1HH2  ARG  62          1HH1      ARG  62   1.052   0.631 -10.070
  476   2HH2  ARG  62          2HH1      ARG  62   0.479   1.012 -11.660
  477    H    HIS  63           H        HIS  63   6.592   6.373  -7.043
  478    HA   HIS  63           HA       HIS  63   7.673   3.787  -7.202
  479   1HB   HIS  63          2HB       HIS  63   8.722   6.178  -7.684
  480   2HB   HIS  63          1HB       HIS  63   9.338   6.019  -6.042
  481    HD1  HIS  63           1HD      HIS  63   8.985   3.347  -8.742
  482    HD2  HIS  63           2HD      HIS  63  11.954   5.169  -6.449
  483    HE1  HIS  63           1HE      HIS  63  11.142   2.129  -9.266
  484    H    GLY  64           H        GLY  64   7.136   5.854  -4.380
  485   1HA   GLY  64          2HA       GLY  64   8.494   4.104  -2.493
  486   2HA   GLY  64          1HA       GLY  64   7.338   5.368  -2.068
  487    H    PHE  65           H        PHE  65   5.067   4.585  -3.366
  488    HA   PHE  65           HA       PHE  65   4.040   2.428  -1.718
  489   1HB   PHE  65          2HB       PHE  65   3.088   4.201  -3.922
  490   2HB   PHE  65          1HB       PHE  65   2.248   2.668  -3.807
  491    HD1  PHE  65           1HD      PHE  65   2.845   5.917  -2.271
  492    HD2  PHE  65           2HD      PHE  65   1.009   2.079  -1.753
  493    HE1  PHE  65           1HE      PHE  65   1.463   6.829  -0.439
  494    HE2  PHE  65           2HE      PHE  65  -0.381   2.985   0.089
  495    HZ   PHE  65           HZ       PHE  65  -0.160   5.362   0.739
  496    H    ASP  66           H        ASP  66   5.167   2.781  -5.023
  497    HA   ASP  66           HA       ASP  66   4.436   0.432  -6.235
  498   1HB   ASP  66          2HB       ASP  66   5.856   2.222  -7.259
  499   2HB   ASP  66          1HB       ASP  66   7.235   1.575  -6.376
  500    H    ILE  67           H        ILE  67   7.081   0.940  -3.924
  501    HA   ILE  67           HA       ILE  67   8.101  -1.744  -3.995
  502    HB   ILE  67           HB       ILE  67   8.221  -0.064  -1.496
  503   1HG1  ILE  67          2HG1      ILE  67   9.486   0.569  -4.166
  504   2HG1  ILE  67          1HG1      ILE  67   8.554   1.620  -3.105
  505   1HG2  ILE  67          1HG2      ILE  67  10.364  -1.047  -1.241
  506   2HG2  ILE  67          2HG2      ILE  67  10.447  -1.517  -2.938
  507   3HG2  ILE  67          3HG2      ILE  67   9.351  -2.359  -1.841
  508   1HD1  ILE  67          1HD1      ILE  67  10.414   1.280  -1.373
  509   2HD1  ILE  67          2HD1      ILE  67  10.805   2.286  -2.768
  510   3HD1  ILE  67          3HD1      ILE  67  11.368   0.615  -2.699
  511    H    LEU  68           H        LEU  68   6.220  -0.186  -1.351
  512    HA   LEU  68           HA       LEU  68   5.633  -2.622  -0.058
  513   1HB   LEU  68          2HB       LEU  68   4.104  -1.437   1.323
  514   2HB   LEU  68          1HB       LEU  68   5.367  -0.293   0.882
  515    HG   LEU  68           HG       LEU  68   3.642   0.253  -1.099
  516   1HD1  LEU  68          1HD1      LEU  68   1.831  -0.444   1.224
  517   2HD1  LEU  68          2HD1      LEU  68   1.972  -1.423  -0.229
  518   3HD1  LEU  68          3HD1      LEU  68   1.341   0.214  -0.336
  519   1HD2  LEU  68          1HD2      LEU  68   4.572   1.891   0.499
  520   2HD2  LEU  68          2HD2      LEU  68   3.454   1.327   1.741
  521   3HD2  LEU  68          3HD2      LEU  68   2.838   2.148   0.305
  522    H    VAL  69           H        VAL  69   3.511  -0.912  -2.422
  523    HA   VAL  69           HA       VAL  69   1.490  -2.948  -2.384
  524    HB   VAL  69           HB       VAL  69   0.621  -1.942  -4.360
  525   1HG1  VAL  69          1HG1      VAL  69   1.984   0.171  -2.691
  526   2HG1  VAL  69          2HG1      VAL  69   0.424  -0.571  -2.353
  527   3HG1  VAL  69          3HG1      VAL  69   0.625   0.454  -3.774
  528   1HG2  VAL  69          1HG2      VAL  69   3.469  -1.175  -4.820
  529   2HG2  VAL  69          2HG2      VAL  69   2.237  -0.055  -5.405
  530   3HG2  VAL  69          3HG2      VAL  69   2.256  -1.723  -5.973
  531    H    GLY  70           H        GLY  70   4.633  -2.922  -3.737
  532   1HA   GLY  70          2HA       GLY  70   4.216  -4.729  -5.944
  533   2HA   GLY  70          1HA       GLY  70   5.763  -4.409  -5.166
  534    H    GLN  71           H        GLN  71   5.524  -5.405  -2.650
  535    HA   GLN  71           HA       GLN  71   5.506  -8.242  -3.163
  536   1HB   GLN  71          2HB       GLN  71   5.561  -8.287  -0.524
  537   2HB   GLN  71          1HB       GLN  71   6.957  -7.694  -1.419
  538   1HG   GLN  71          2HG       GLN  71   6.359  -5.416  -1.048
  539   2HG   GLN  71          1HG       GLN  71   4.755  -5.858  -0.460
  540   1HE2  GLN  71          1HE2      GLN  71   5.737  -8.120   1.197
  541   2HE2  GLN  71          2HE2      GLN  71   6.544  -7.424   2.518
  542    H    ILE  72           H        ILE  72   3.023  -6.005  -2.307
  543    HA   ILE  72           HA       ILE  72   1.244  -7.799  -0.952
  544    HB   ILE  72           HB       ILE  72   0.904  -5.275  -2.567
  545   1HG1  ILE  72          2HG1      ILE  72  -0.043  -6.059   0.204
  546   2HG1  ILE  72          1HG1      ILE  72   1.512  -5.301  -0.121
  547   1HG2  ILE  72          1HG2      ILE  72  -1.590  -5.416  -2.076
  548   2HG2  ILE  72          2HG2      ILE  72  -1.346  -7.127  -1.734
  549   3HG2  ILE  72          3HG2      ILE  72  -1.021  -6.493  -3.347
  550   1HD1  ILE  72          1HD1      ILE  72   0.568  -3.257  -0.291
  551   2HD1  ILE  72          2HD1      ILE  72  -0.894  -3.974   0.366
  552   3HD1  ILE  72          3HD1      ILE  72  -0.694  -3.830  -1.376
  553    H    ASP  73           H        ASP  73   1.159  -6.802  -4.403
  554    HA   ASP  73           HA       ASP  73  -0.605  -8.851  -5.275
  555   1HB   ASP  73          2HB       ASP  73   0.261  -8.428  -7.519
  556   2HB   ASP  73          1HB       ASP  73   0.126  -6.893  -6.672
  557    H    ASP  74           H        ASP  74   2.926  -8.883  -4.729
  558    HA   ASP  74           HA       ASP  74   3.371 -11.364  -6.030
  559   1HB   ASP  74          2HB       ASP  74   5.163  -9.845  -5.139
  560   2HB   ASP  74          1HB       ASP  74   4.755 -10.402  -3.510
  561    H    ALA  75           H        ALA  75   1.664 -10.564  -3.153
  562    HA   ALA  75           HA       ALA  75   1.767 -13.232  -1.992
  563   1HB   ALA  75          1HB       ALA  75   1.098 -11.119  -0.730
  564   2HB   ALA  75          2HB       ALA  75   0.023 -12.503  -0.528
  565   3HB   ALA  75          3HB       ALA  75  -0.427 -11.186  -1.613
  566    H    LEU  76           H        LEU  76  -0.165 -11.390  -4.240
  567    HA   LEU  76           HA       LEU  76  -2.327 -13.193  -4.720
  568   1HB   LEU  76          2HB       LEU  76  -1.903 -10.760  -5.572
  569   2HB   LEU  76          1HB       LEU  76  -0.956 -11.506  -6.854
  570    HG   LEU  76           HG       LEU  76  -3.767 -12.492  -6.358
  571   1HD1  LEU  76          1HD1      LEU  76  -4.473 -10.732  -8.116
  572   2HD1  LEU  76          2HD1      LEU  76  -2.990  -9.886  -7.680
  573   3HD1  LEU  76          3HD1      LEU  76  -4.236 -10.160  -6.466
  574   1HD2  LEU  76          1HD2      LEU  76  -3.702 -12.934  -8.755
  575   2HD2  LEU  76          2HD2      LEU  76  -2.244 -13.595  -8.029
  576   3HD2  LEU  76          3HD2      LEU  76  -2.174 -12.071  -8.910
  577    H    LYS  77           H        LYS  77   0.905 -12.880  -6.039
  578    HA   LYS  77           HA       LYS  77   0.859 -14.930  -7.983
  579   1HB   LYS  77          2HB       LYS  77   2.568 -13.047  -7.391
  580   2HB   LYS  77          1HB       LYS  77   3.260 -14.236  -6.298
  581   1HG   LYS  77          2HG       LYS  77   3.558 -15.785  -8.203
  582   2HG   LYS  77          1HG       LYS  77   2.884 -14.558  -9.277
  583   1HD   LYS  77          2HD       LYS  77   5.149 -14.050  -9.519
  584   2HD   LYS  77          1HD       LYS  77   4.776 -13.011  -8.135
  585   1HE   LYS  77          2HE       LYS  77   6.655 -14.127  -7.337
  586   2HE   LYS  77          1HE       LYS  77   5.390 -15.209  -6.754
  587   1HZ   LYS  77          1HZ       LYS  77   5.846 -16.756  -8.361
  588   2HZ   LYS  77          2HZ       LYS  77   7.403 -16.135  -8.085
  589   3HZ   LYS  77          3HZ       LYS  77   6.511 -15.626  -9.438
  590    H    LEU  78           H        LEU  78   1.846 -14.937  -4.622
  591    HA   LEU  78           HA       LEU  78   2.572 -17.669  -4.423
  592   1HB   LEU  78          2HB       LEU  78   2.045 -15.321  -2.727
  593   2HB   LEU  78          1HB       LEU  78   1.819 -16.835  -1.914
  594    HG   LEU  78           HG       LEU  78   4.134 -17.517  -2.763
  595   1HD1  LEU  78          1HD1      LEU  78   4.062 -15.642  -4.526
  596   2HD1  LEU  78          2HD1      LEU  78   5.573 -15.845  -3.642
  597   3HD1  LEU  78          3HD1      LEU  78   4.465 -14.543  -3.206
  598   1HD2  LEU  78          1HD2      LEU  78   5.267 -16.334  -0.990
  599   2HD2  LEU  78          2HD2      LEU  78   3.627 -16.684  -0.448
  600   3HD2  LEU  78          3HD2      LEU  78   4.046 -15.062  -0.997
  601    H    ALA  79           H        ALA  79  -0.395 -16.021  -3.243
  602    HA   ALA  79           HA       ALA  79  -1.862 -18.194  -2.377
  603   1HB   ALA  79          1HB       ALA  79  -3.130 -16.060  -4.102
  604   2HB   ALA  79          2HB       ALA  79  -2.560 -15.723  -2.466
  605   3HB   ALA  79          3HB       ALA  79  -3.835 -16.913  -2.728
  606    H    ASN  80           H        ASN  80  -1.307 -17.254  -5.770
  607    HA   ASN  80           HA       ASN  80  -3.169 -19.161  -6.882
  608   1HB   ASN  80          2HB       ASN  80  -0.614 -18.413  -8.304
  609   2HB   ASN  80          1HB       ASN  80  -2.225 -18.673  -8.974
  610   1HD2  ASN  80          1HD2      ASN  80  -3.679 -16.951  -7.078
  611   2HD2  ASN  80          2HD2      ASN  80  -3.202 -15.359  -7.411
  612    H    GLU  81           H        GLU  81   0.098 -19.339  -5.659
  613    HA   GLU  81           HA       GLU  81   0.514 -22.084  -6.653
  614   1HB   GLU  81          2HB       GLU  81   2.398 -20.458  -6.407
  615   2HB   GLU  81          1HB       GLU  81   2.138 -20.463  -4.664
  616   1HG   GLU  81          2HG       GLU  81   2.832 -22.704  -4.436
  617   2HG   GLU  81          1HG       GLU  81   2.595 -23.052  -6.149
  618    H    GLY  82           H        GLY  82  -1.420 -20.850  -4.327
  619   1HA   GLY  82          2HA       GLY  82  -2.666 -22.128  -2.747
  620   2HA   GLY  82          1HA       GLY  82  -1.456 -23.402  -2.848
  621    H    LYS  83           H        LYS  83  -0.954 -19.938  -2.081
  622    HA   LYS  83           HA       LYS  83   0.362 -20.793   0.466
  623   1HB   LYS  83          2HB       LYS  83   0.321 -18.122  -0.958
  624   2HB   LYS  83          1HB       LYS  83   1.276 -18.495   0.471
  625   1HG   LYS  83          2HG       LYS  83   1.648 -19.469  -2.343
  626   2HG   LYS  83          1HG       LYS  83   2.835 -18.745  -1.275
  627   1HD   LYS  83          2HD       LYS  83   2.639 -20.848   0.158
  628   2HD   LYS  83          1HD       LYS  83   1.749 -21.562  -1.191
  629   1HE   LYS  83          2HE       LYS  83   4.014 -22.197  -1.536
  630   2HE   LYS  83          1HE       LYS  83   3.729 -20.868  -2.662
  631   1HZ   LYS  83          1HZ       LYS  83   4.515 -19.549  -0.478
  632   2HZ   LYS  83          2HZ       LYS  83   5.568 -20.036  -1.719
  633   3HZ   LYS  83          3HZ       LYS  83   5.418 -20.974  -0.311
  634    H    VAL  84           H        VAL  84  -2.046 -21.210   0.994
  635    HA   VAL  84           HA       VAL  84  -3.822 -19.057   1.548
  636    HB   VAL  84           HB       VAL  84  -3.560 -21.713   2.989
  637   1HG1  VAL  84          1HG1      VAL  84  -6.011 -21.321   3.427
  638   2HG1  VAL  84          2HG1      VAL  84  -5.800 -19.680   2.815
  639   3HG1  VAL  84          3HG1      VAL  84  -4.943 -20.197   4.268
  640   1HG2  VAL  84          1HG2      VAL  84  -3.863 -21.741   0.451
  641   2HG2  VAL  84          2HG2      VAL  84  -5.424 -20.968   0.723
  642   3HG2  VAL  84          3HG2      VAL  84  -5.111 -22.573   1.379
  643    H    LYS  85           H        LYS  85  -1.455 -20.670   3.711
  644    HA   LYS  85           HA       LYS  85  -2.045 -18.886   5.930
  645   1HB   LYS  85          2HB       LYS  85   0.052 -19.919   6.899
  646   2HB   LYS  85          1HB       LYS  85  -1.210 -21.074   6.483
  647   1HG   LYS  85          2HG       LYS  85   0.078 -21.246   4.195
  648   2HG   LYS  85          1HG       LYS  85   1.403 -20.523   5.088
  649   1HD   LYS  85          2HD       LYS  85   0.006 -23.129   5.689
  650   2HD   LYS  85          1HD       LYS  85   1.688 -22.892   5.211
  651   1HE   LYS  85          2HE       LYS  85   1.891 -21.451   7.351
  652   2HE   LYS  85          1HE       LYS  85   0.372 -22.206   7.839
  653   1HZ   LYS  85          1HZ       LYS  85   2.358 -23.401   8.635
  654   2HZ   LYS  85          2HZ       LYS  85   2.804 -23.702   7.024
  655   3HZ   LYS  85          3HZ       LYS  85   1.366 -24.357   7.648
  656    H    GLU  86           H        GLU  86   0.677 -19.280   3.765
  657    HA   GLU  86           HA       GLU  86   2.234 -17.101   4.703
  658   1HB   GLU  86          2HB       GLU  86   2.206 -19.011   2.481
  659   2HB   GLU  86          1HB       GLU  86   2.852 -17.451   1.973
  660   1HG   GLU  86          2HG       GLU  86   3.815 -18.767   4.522
  661   2HG   GLU  86          1HG       GLU  86   4.481 -19.244   2.965
  662    H    ALA  87           H        ALA  87  -0.187 -17.235   2.079
  663    HA   ALA  87           HA       ALA  87   0.206 -14.545   1.191
  664   1HB   ALA  87          1HB       ALA  87  -2.354 -16.180   1.156
  665   2HB   ALA  87          2HB       ALA  87  -1.110 -16.200  -0.098
  666   3HB   ALA  87          3HB       ALA  87  -2.041 -14.731   0.199
  667    H    GLN  88           H        GLN  88  -2.078 -15.900   3.590
  668    HA   GLN  88           HA       GLN  88  -3.268 -13.375   4.272
  669   1HB   GLN  88          2HB       GLN  88  -3.136 -16.097   5.543
  670   2HB   GLN  88          1HB       GLN  88  -3.659 -14.748   6.551
  671   1HG   GLN  88          2HG       GLN  88  -5.442 -14.209   5.037
  672   2HG   GLN  88          1HG       GLN  88  -4.864 -15.364   3.844
  673   1HE2  GLN  88          1HE2      GLN  88  -6.144 -15.215   7.198
  674   2HE2  GLN  88          2HE2      GLN  88  -6.830 -16.765   7.159
  675    H    ALA  89           H        ALA  89  -0.476 -15.148   5.600
  676    HA   ALA  89           HA       ALA  89   0.060 -13.400   7.785
  677   1HB   ALA  89          1HB       ALA  89   1.920 -15.053   6.052
  678   2HB   ALA  89          2HB       ALA  89   1.272 -15.483   7.635
  679   3HB   ALA  89          3HB       ALA  89   2.459 -14.186   7.489
  680    H    ALA  90           H        ALA  90   0.998 -13.259   4.362
  681    HA   ALA  90           HA       ALA  90   2.670 -10.946   4.562
  682   1HB   ALA  90          1HB       ALA  90   1.942 -10.594   2.121
  683   2HB   ALA  90          2HB       ALA  90   0.964 -12.048   2.317
  684   3HB   ALA  90          3HB       ALA  90   2.717 -12.134   2.488
  685    H    ALA  91           H        ALA  91  -0.751 -11.435   4.683
  686    HA   ALA  91           HA       ALA  91  -1.654  -8.813   4.021
  687   1HB   ALA  91          1HB       ALA  91  -3.729  -9.545   4.789
  688   2HB   ALA  91          2HB       ALA  91  -3.038 -10.430   6.144
  689   3HB   ALA  91          3HB       ALA  91  -2.934 -11.086   4.512
  690    H    GLU  92           H        GLU  92  -0.894 -10.256   7.225
  691    HA   GLU  92           HA       GLU  92  -1.319  -7.877   8.731
  692   1HB   GLU  92          2HB       GLU  92   0.574 -10.191   9.260
  693   2HB   GLU  92          1HB       GLU  92   0.192  -8.930  10.429
  694   1HG   GLU  92          2HG       GLU  92  -1.423 -10.453  11.076
  695   2HG   GLU  92          1HG       GLU  92  -2.337  -9.666   9.792
  696    H    GLN  93           H        GLN  93   1.097  -8.643   6.460
  697    HA   GLN  93           HA       GLN  93   3.190  -6.967   7.581
  698   1HB   GLN  93          2HB       GLN  93   4.421  -7.905   5.891
  699   2HB   GLN  93          1HB       GLN  93   3.016  -8.895   5.579
  700   1HG   GLN  93          2HG       GLN  93   3.596  -7.996   3.474
  701   2HG   GLN  93          1HG       GLN  93   2.242  -7.001   3.988
  702   1HE2  GLN  93          1HE2      GLN  93   4.205  -5.777   6.073
  703   2HE2  GLN  93          2HE2      GLN  93   5.079  -4.634   5.161
  704    H    LEU  94           H        LEU  94   0.574  -6.497   5.213
  705    HA   LEU  94           HA       LEU  94   1.331  -3.791   4.582
  706   1HB   LEU  94          2HB       LEU  94  -0.301  -5.231   3.264
  707   2HB   LEU  94          1HB       LEU  94  -1.485  -4.875   4.517
  708    HG   LEU  94           HG       LEU  94  -1.023  -2.412   4.130
  709   1HD1  LEU  94          1HD1      LEU  94   0.726  -3.600   2.002
  710   2HD1  LEU  94          2HD1      LEU  94   0.959  -2.151   2.976
  711   3HD1  LEU  94          3HD1      LEU  94  -0.152  -2.120   1.614
  712   1HD2  LEU  94          1HD2      LEU  94  -2.353  -4.261   2.173
  713   2HD2  LEU  94          2HD2      LEU  94  -2.235  -2.550   1.756
  714   3HD2  LEU  94          3HD2      LEU  94  -3.056  -3.041   3.232
  715    H    LYS  95           H        LYS  95  -0.833  -5.197   7.000
  716    HA   LYS  95           HA       LYS  95  -2.057  -2.868   7.978
  717   1HB   LYS  95          2HB       LYS  95  -1.206  -5.411   9.372
  718   2HB   LYS  95          1HB       LYS  95  -2.145  -4.157  10.183
  719   1HG   LYS  95          2HG       LYS  95  -3.996  -4.427   8.733
  720   2HG   LYS  95          1HG       LYS  95  -3.036  -5.274   7.527
  721   1HD   LYS  95          2HD       LYS  95  -3.544  -7.294   8.455
  722   2HD   LYS  95          1HD       LYS  95  -2.941  -6.778  10.027
  723   1HE   LYS  95          2HE       LYS  95  -5.175  -5.604  10.367
  724   2HE   LYS  95          1HE       LYS  95  -5.735  -6.427   8.909
  725   1HZ   LYS  95          1HZ       LYS  95  -4.665  -8.456  10.260
  726   2HZ   LYS  95          2HZ       LYS  95  -6.302  -8.014  10.369
  727   3HZ   LYS  95          3HZ       LYS  95  -5.199  -7.494  11.552
  728    H    THR  96           H        THR  96   0.599  -4.425   9.808
  729    HA   THR  96           HA       THR  96   1.181  -1.976  11.168
  730    HB   THR  96           HB       THR  96   3.231  -4.167  10.893
  731    HG1  THR  96           1HG      THR  96   1.918  -5.522  11.767
  732   1HG2  THR  96          1HG2      THR  96   3.807  -2.198  12.232
  733   2HG2  THR  96          2HG2      THR  96   3.578  -3.588  13.291
  734   3HG2  THR  96          3HG2      THR  96   2.315  -2.361  13.160
  735    H    THR  97           H        THR  97   2.141  -3.065   8.008
  736    HA   THR  97           HA       THR  97   4.662  -1.862   7.716
  737    HB   THR  97           HB       THR  97   2.365  -2.181   5.813
  738    HG1  THR  97           1HG      THR  97   4.074  -3.764   6.450
  739   1HG2  THR  97          1HG2      THR  97   4.041  -1.320   4.030
  740   2HG2  THR  97          2HG2      THR  97   4.816  -0.490   5.378
  741   3HG2  THR  97          3HG2      THR  97   3.142  -0.125   4.964
  742    H    ILE  98           H        ILE  98   1.515  -0.292   7.023
  743    HA   ILE  98           HA       ILE  98   2.491   2.355   6.839
  744    HB   ILE  98           HB       ILE  98  -0.159   1.136   7.604
  745   1HG1  ILE  98          2HG1      ILE  98  -0.463   2.859   5.382
  746   2HG1  ILE  98          1HG1      ILE  98   1.108   2.110   5.124
  747   1HG2  ILE  98          1HG2      ILE  98  -0.540   3.034   8.838
  748   2HG2  ILE  98          2HG2      ILE  98  -0.947   3.680   7.249
  749   3HG2  ILE  98          3HG2      ILE  98   0.635   3.985   7.943
  750   1HD1  ILE  98          1HD1      ILE  98  -0.643   0.757   4.091
  751   2HD1  ILE  98          2HD1      ILE  98  -1.500   0.647   5.630
  752   3HD1  ILE  98          3HD1      ILE  98   0.076  -0.125   5.439
  753    H    ARG  99           H        ARG  99   1.250   0.628   9.740
  754    HA   ARG  99           HA       ARG  99   1.685   2.847  11.472
  755   1HB   ARG  99          2HB       ARG  99   0.569   0.376  11.755
  756   2HB   ARG  99          1HB       ARG  99   2.080   0.128  12.618
  757   1HG   ARG  99          2HG       ARG  99   1.498   2.417  13.775
  758   2HG   ARG  99          1HG       ARG  99  -0.123   2.102  13.181
  759   1HD   ARG  99          2HD       ARG  99   0.403   1.297  15.562
  760   2HD   ARG  99          1HD       ARG  99  -0.376   0.150  14.478
  761    HE   ARG  99           HE       ARG  99   1.625  -1.135  14.447
  762   1HH1  ARG  99          1HH2      ARG  99   2.023   1.935  15.981
  763   2HH1  ARG  99          2HH2      ARG  99   3.579   1.548  16.636
  764   1HH2  ARG  99          1HH1      ARG  99   3.646  -1.648  15.293
  765   2HH2  ARG  99          2HH1      ARG  99   4.497  -0.481  16.247
  766    H    ALA 100           H        ALA 100   3.849   0.053  10.799
  767    HA   ALA 100           HA       ALA 100   5.978   0.955  12.499
  768   1HB   ALA 100          1HB       ALA 100   5.950  -0.856  10.076
  769   2HB   ALA 100          2HB       ALA 100   6.006  -1.327  11.775
  770   3HB   ALA 100          3HB       ALA 100   7.405  -0.554  11.028
  771    H    TYR 101           H        TYR 101   5.121   1.732   9.220
  772    HA   TYR 101           HA       TYR 101   7.588   3.015   8.445
  773   1HB   TYR 101          2HB       TYR 101   4.754   2.940   7.431
  774   2HB   TYR 101          1HB       TYR 101   5.836   4.170   6.788
  775    HD1  TYR 101           1HD      TYR 101   7.042   0.833   7.846
  776    HD2  TYR 101           2HD      TYR 101   5.797   3.267   4.515
  777    HE1  TYR 101           1HE      TYR 101   7.989  -0.830   6.279
  778    HE2  TYR 101           2HE      TYR 101   6.754   1.595   2.956
  779    HH   TYR 101           HH       TYR 101   8.578  -0.201   3.063
  780    H    ASN 102           H        ASN 102   5.370   3.730  10.766
  781    HA   ASN 102           HA       ASN 102   5.283   5.648  12.192
  782   1HB   ASN 102          2HB       ASN 102   7.386   6.592  10.998
  783   2HB   ASN 102          1HB       ASN 102   6.259   7.358   9.875
  784   1HD2  ASN 102          1HD2      ASN 102   4.646   8.878  10.787
  785   2HD2  ASN 102          2HD2      ASN 102   5.008   9.703  12.232
  786    H    GLN 103           H        GLN 103   3.153   4.601  11.269
  787    HA   GLN 103           HA       GLN 103   1.103   4.788  10.240
  788   1HB   GLN 103          2HB       GLN 103   1.786   7.393  11.480
  789   2HB   GLN 103          1HB       GLN 103   0.426   7.422  10.353
  790   1HG   GLN 103          2HG       GLN 103   0.678   5.438  12.637
  791   2HG   GLN 103          1HG       GLN 103  -0.212   6.960  12.770
  792   1HE2  GLN 103          1HE2      GLN 103  -0.409   5.719   9.584
  793   2HE2  GLN 103          2HE2      GLN 103  -1.901   4.950   9.719
  794    H    LYS 104           H        LYS 104   2.863   4.423   8.483
  795    HA   LYS 104           HA       LYS 104   3.534   4.584   6.315
  796   1HB   LYS 104          2HB       LYS 104   1.271   4.441   5.771
  797   2HB   LYS 104          1HB       LYS 104   0.925   6.049   6.356
  798   1HG   LYS 104          2HG       LYS 104   0.990   5.762   3.825
  799   2HG   LYS 104          1HG       LYS 104   2.008   7.062   4.449
  800   1HD   LYS 104          2HD       LYS 104   4.001   5.726   4.196
  801   2HD   LYS 104          1HD       LYS 104   3.055   4.242   4.015
  802   1HE   LYS 104          2HE       LYS 104   2.167   5.083   1.873
  803   2HE   LYS 104          1HE       LYS 104   3.118   6.556   2.052
  804   1HZ   LYS 104          1HZ       LYS 104   5.122   5.165   2.120
  805   2HZ   LYS 104          2HZ       LYS 104   4.279   5.011   0.653
  806   3HZ   LYS 104          3HZ       LYS 104   4.172   3.790   1.830
  807    H    TYR 105           H        TYR 105   2.236   7.893   6.321
  808    HA   TYR 105           HA       TYR 105   4.978   8.948   6.716
  809   1HB   TYR 105          2HB       TYR 105   3.748   8.709   4.108
  810   2HB   TYR 105          1HB       TYR 105   3.866  10.418   4.504
  811    HD1  TYR 105           1HD      TYR 105   5.909   7.275   4.494
  812    HD2  TYR 105           2HD      TYR 105   5.880  11.561   4.188
  813    HE1  TYR 105           1HE      TYR 105   8.321   7.254   3.943
  814    HE2  TYR 105           2HE      TYR 105   8.291  11.539   3.629
  815    HH   TYR 105           HH       TYR 105  10.104   8.470   3.437
  816    H    GLY 106           H        GLY 106   2.157   8.945   7.928
  817   1HA   GLY 106          2HA       GLY 106   2.203  11.776   8.699
  818   2HA   GLY 106          1HA       GLY 106   0.761  11.282   7.818
  Start of MODEL    8
    1    HA   ALA   1           HA       ALA   1 -16.110   5.126  -5.349
    2   1HB   ALA   1          1HB       ALA   1 -13.800   4.215  -5.254
    3   2HB   ALA   1          2HB       ALA   1 -13.476   4.921  -6.837
    4   3HB   ALA   1          3HB       ALA   1 -14.678   3.641  -6.673
    5    H    ASP   2           H        ASP   2 -16.199   6.790  -3.893
    6    HA   ASP   2           HA       ASP   2 -14.432   9.106  -4.118
    7   1HB   ASP   2          2HB       ASP   2 -16.753   9.289  -3.251
    8   2HB   ASP   2          1HB       ASP   2 -16.283   8.336  -1.847
    9    H    LEU   3           H        LEU   3 -13.407   9.796  -1.893
   10    HA   LEU   3           HA       LEU   3 -11.151   8.202  -1.399
   11   1HB   LEU   3          2HB       LEU   3 -12.560  10.364   0.134
   12   2HB   LEU   3          1HB       LEU   3 -11.275   9.485   0.947
   13    HG   LEU   3           HG       LEU   3 -10.590  11.630  -0.258
   14   1HD1  LEU   3          1HD1      LEU   3  -9.058   9.620   0.337
   15   2HD1  LEU   3          2HD1      LEU   3  -8.471  10.798  -0.831
   16   3HD1  LEU   3          3HD1      LEU   3  -9.110   9.257  -1.387
   17   1HD2  LEU   3          1HD2      LEU   3 -10.676   9.995  -2.790
   18   2HD2  LEU   3          2HD2      LEU   3 -10.517  11.737  -2.598
   19   3HD2  LEU   3          3HD2      LEU   3 -12.068  10.961  -2.301
   20    H    GLU   4           H        GLU   4 -14.137   8.359   0.566
   21    HA   GLU   4           HA       GLU   4 -13.389   6.344   2.421
   22   1HB   GLU   4          2HB       GLU   4 -15.912   6.052   2.687
   23   2HB   GLU   4          1HB       GLU   4 -15.274   7.668   2.978
   24   1HG   GLU   4          2HG       GLU   4 -16.123   7.008   0.169
   25   2HG   GLU   4          1HG       GLU   4 -17.385   7.246   1.371
   26    H    ASP   5           H        ASP   5 -14.718   6.104  -0.831
   27    HA   ASP   5           HA       ASP   5 -15.371   3.286  -0.561
   28   1HB   ASP   5          2HB       ASP   5 -16.477   4.750  -2.241
   29   2HB   ASP   5          1HB       ASP   5 -14.936   4.935  -3.077
   30    H    ASN   6           H        ASN   6 -12.521   5.094  -1.701
   31    HA   ASN   6           HA       ASN   6 -11.114   2.949  -2.888
   32   1HB   ASN   6          2HB       ASN   6  -9.741   4.787  -3.097
   33   2HB   ASN   6          1HB       ASN   6 -10.437   5.556  -1.676
   34   1HD2  ASN   6          1HD2      ASN   6  -9.702   4.271   0.472
   35   2HD2  ASN   6          2HD2      ASN   6  -8.045   3.934   0.547
   36    H    TRP   7           H        TRP   7 -11.543   3.884   0.489
   37    HA   TRP   7           HA       TRP   7  -9.925   1.876   1.682
   38   1HB   TRP   7          2HB       TRP   7 -12.125   3.684   2.524
   39   2HB   TRP   7          1HB       TRP   7 -12.009   2.218   3.487
   40    HD1  TRP   7           HD       TRP   7  -9.693   4.956   2.118
   41    HE1  TRP   7           1HE      TRP   7  -7.877   5.474   3.852
   42    HE3  TRP   7           3HE      TRP   7 -10.888   1.522   5.703
   43    HZ2  TRP   7           2HZ      TRP   7  -7.026   4.576   6.431
   44    HZ3  TRP   7           3HZ      TRP   7  -9.547   1.368   7.786
   45    HH2  TRP   7           HH       TRP   7  -7.610   2.885   8.153
   46    H    GLU   8           H        GLU   8 -13.289   1.872   0.553
   47    HA   GLU   8           HA       GLU   8 -14.025  -0.705   1.507
   48   1HB   GLU   8          2HB       GLU   8 -15.511   1.075   0.399
   49   2HB   GLU   8          1HB       GLU   8 -14.922   0.437  -1.132
   50   1HG   GLU   8          2HG       GLU   8 -15.679  -1.848  -0.393
   51   2HG   GLU   8          1HG       GLU   8 -16.429  -1.082   1.009
   52    H    THR   9           H        THR   9 -12.518   0.308  -1.568
   53    HA   THR   9           HA       THR   9 -12.304  -2.269  -2.744
   54    HB   THR   9           HB       THR   9 -10.069  -0.233  -2.989
   55    HG1  THR   9           1HG      THR   9 -12.704   0.236  -3.302
   56   1HG2  THR   9          1HG2      THR   9  -9.942  -1.018  -5.221
   57   2HG2  THR   9          2HG2      THR   9 -11.555  -1.729  -5.156
   58   3HG2  THR   9          3HG2      THR   9 -10.227  -2.472  -4.264
   59    H    LEU  10           H        LEU  10 -10.005  -0.471  -0.731
   60    HA   LEU  10           HA       LEU  10  -8.129  -2.604  -0.416
   61   1HB   LEU  10          2HB       LEU  10  -8.690   0.026   0.877
   62   2HB   LEU  10          1HB       LEU  10  -7.675  -1.099   1.774
   63    HG   LEU  10           HG       LEU  10  -6.308  -1.279  -0.441
   64   1HD1  LEU  10          1HD1      LEU  10  -6.448   0.640  -1.915
   65   2HD1  LEU  10          2HD1      LEU  10  -7.685   1.381  -0.897
   66   3HD1  LEU  10          3HD1      LEU  10  -8.048  -0.086  -1.802
   67   1HD2  LEU  10          1HD2      LEU  10  -6.404   1.170   1.322
   68   2HD2  LEU  10          2HD2      LEU  10  -5.124   0.901   0.138
   69   3HD2  LEU  10          3HD2      LEU  10  -5.343  -0.229   1.474
   70    H    ASN  11           H        ASN  11 -11.127  -1.831   1.156
   71    HA   ASN  11           HA       ASN  11 -10.709  -3.280   3.575
   72   1HB   ASN  11          2HB       ASN  11 -12.647  -1.716   3.024
   73   2HB   ASN  11          1HB       ASN  11 -13.333  -3.060   2.100
   74   1HD2  ASN  11          1HD2      ASN  11 -11.485  -3.993   4.904
   75   2HD2  ASN  11          2HD2      ASN  11 -12.796  -4.355   5.906
   76    H    ASP  12           H        ASP  12 -12.712  -4.275   0.829
   77    HA   ASP  12           HA       ASP  12 -13.012  -6.973   1.517
   78   1HB   ASP  12          2HB       ASP  12 -12.813  -5.683  -1.195
   79   2HB   ASP  12          1HB       ASP  12 -13.333  -7.350  -0.947
   80    H    ASN  13           H        ASN  13 -10.211  -5.316   0.298
   81    HA   ASN  13           HA       ASN  13  -8.956  -7.595  -0.899
   82   1HB   ASN  13          2HB       ASN  13  -7.723  -5.177   0.445
   83   2HB   ASN  13          1HB       ASN  13  -6.802  -6.392  -0.410
   84   1HD2  ASN  13          1HD2      ASN  13  -9.345  -6.438  -2.378
   85   2HD2  ASN  13          2HD2      ASN  13  -9.000  -5.139  -3.397
   86    H    LEU  14           H        LEU  14  -8.385  -6.166   2.329
   87    HA   LEU  14           HA       LEU  14  -6.862  -8.306   3.363
   88   1HB   LEU  14          2HB       LEU  14  -8.634  -6.220   4.621
   89   2HB   LEU  14          1HB       LEU  14  -7.811  -7.424   5.607
   90    HG   LEU  14           HG       LEU  14  -6.588  -5.199   5.319
   91   1HD1  LEU  14          1HD1      LEU  14  -4.925  -7.420   4.157
   92   2HD1  LEU  14          2HD1      LEU  14  -5.519  -7.521   5.814
   93   3HD1  LEU  14          3HD1      LEU  14  -4.471  -6.194   5.331
   94   1HD2  LEU  14          1HD2      LEU  14  -7.196  -4.986   2.877
   95   2HD2  LEU  14          2HD2      LEU  14  -6.019  -6.253   2.527
   96   3HD2  LEU  14          3HD2      LEU  14  -5.498  -4.728   3.232
   97    H    LYS  15           H        LYS  15 -10.319  -7.794   3.148
   98    HA   LYS  15           HA       LYS  15 -11.260  -9.805   4.880
   99   1HB   LYS  15          2HB       LYS  15 -12.547  -8.021   3.554
  100   2HB   LYS  15          1HB       LYS  15 -12.487  -9.139   2.195
  101   1HG   LYS  15          2HG       LYS  15 -13.527 -10.876   3.742
  102   2HG   LYS  15          1HG       LYS  15 -13.804  -9.563   4.884
  103   1HD   LYS  15          2HD       LYS  15 -15.809  -9.376   3.754
  104   2HD   LYS  15          1HD       LYS  15 -14.844  -8.417   2.632
  105   1HE   LYS  15          2HE       LYS  15 -15.880  -9.940   1.190
  106   2HE   LYS  15          1HE       LYS  15 -14.349 -10.757   1.513
  107   1HZ   LYS  15          1HZ       LYS  15 -16.821 -11.227   3.085
  108   2HZ   LYS  15          2HZ       LYS  15 -15.380 -12.126   3.131
  109   3HZ   LYS  15          3HZ       LYS  15 -16.371 -12.172   1.751
  110    H    VAL  16           H        VAL  16 -10.411 -10.105   1.400
  111    HA   VAL  16           HA       VAL  16 -11.062 -12.892   1.338
  112    HB   VAL  16           HB       VAL  16  -9.681 -10.938  -0.475
  113   1HG1  VAL  16          1HG1      VAL  16  -8.233 -12.818  -0.775
  114   2HG1  VAL  16          2HG1      VAL  16  -9.382 -12.870  -2.111
  115   3HG1  VAL  16          3HG1      VAL  16  -9.581 -13.950  -0.733
  116   1HG2  VAL  16          1HG2      VAL  16 -11.968 -12.897  -0.824
  117   2HG2  VAL  16          2HG2      VAL  16 -11.454 -11.697  -2.012
  118   3HG2  VAL  16          3HG2      VAL  16 -12.133 -11.178  -0.469
  119    H    ILE  17           H        ILE  17  -7.760 -11.358   1.321
  120    HA   ILE  17           HA       ILE  17  -6.339 -13.764   1.542
  121    HB   ILE  17           HB       ILE  17  -5.136 -11.828   3.398
  122   1HG1  ILE  17          2HG1      ILE  17  -5.925 -10.768   0.657
  123   2HG1  ILE  17          1HG1      ILE  17  -6.628 -10.244   2.184
  124   1HG2  ILE  17          1HG2      ILE  17  -3.311 -11.890   1.771
  125   2HG2  ILE  17          2HG2      ILE  17  -4.364 -12.653   0.580
  126   3HG2  ILE  17          3HG2      ILE  17  -3.917 -13.521   2.048
  127   1HD1  ILE  17          1HD1      ILE  17  -4.912  -8.654   1.611
  128   2HD1  ILE  17          2HD1      ILE  17  -3.750  -9.945   1.302
  129   3HD1  ILE  17          3HD1      ILE  17  -4.299  -9.629   2.946
  130    H    GLU  18           H        GLU  18  -7.802 -11.882   4.179
  131    HA   GLU  18           HA       GLU  18  -7.083 -13.627   6.308
  132   1HB   GLU  18          2HB       GLU  18  -9.529 -11.877   5.902
  133   2HB   GLU  18          1HB       GLU  18  -9.174 -12.710   7.411
  134   1HG   GLU  18          2HG       GLU  18  -6.821 -11.215   6.499
  135   2HG   GLU  18          1HG       GLU  18  -8.218 -10.152   6.615
  136    H    LYS  19           H        LYS  19  -9.576 -13.789   3.829
  137    HA   LYS  19           HA       LYS  19 -10.432 -16.464   4.889
  138   1HB   LYS  19          2HB       LYS  19 -12.109 -14.313   3.561
  139   2HB   LYS  19          1HB       LYS  19 -12.696 -15.913   4.016
  140   1HG   LYS  19          2HG       LYS  19 -12.743 -15.409   6.276
  141   2HG   LYS  19          1HG       LYS  19 -11.345 -14.349   6.181
  142   1HD   LYS  19          2HD       LYS  19 -13.308 -13.022   6.699
  143   2HD   LYS  19          1HD       LYS  19 -12.765 -12.617   5.073
  144   1HE   LYS  19          2HE       LYS  19 -15.143 -12.881   4.936
  145   2HE   LYS  19          1HE       LYS  19 -14.462 -14.347   4.234
  146   1HZ   LYS  19          1HZ       LYS  19 -16.305 -14.647   5.911
  147   2HZ   LYS  19          2HZ       LYS  19 -15.190 -14.156   7.095
  148   3HZ   LYS  19          3HZ       LYS  19 -14.898 -15.556   6.178
  149    H    ALA  20           H        ALA  20  -8.342 -16.037   2.944
  150    HA   ALA  20           HA       ALA  20  -9.294 -16.265   0.252
  151   1HB   ALA  20          1HB       ALA  20  -7.026 -15.693   0.422
  152   2HB   ALA  20          2HB       ALA  20  -6.949 -17.385  -0.065
  153   3HB   ALA  20          3HB       ALA  20  -6.701 -16.939   1.624
  154    H    ASP  21           H        ASP  21  -9.100 -18.568   2.826
  155    HA   ASP  21           HA       ASP  21  -9.842 -20.787   2.941
  156   1HB   ASP  21          2HB       ASP  21 -10.641 -20.704   0.034
  157   2HB   ASP  21          1HB       ASP  21 -11.414 -21.542   1.380
  158    H    ASN  22           H        ASN  22  -8.000 -19.770   0.116
  159    HA   ASN  22           HA       ASN  22  -6.151 -22.029   0.527
  160   1HB   ASN  22          2HB       ASN  22  -7.313 -21.621  -2.233
  161   2HB   ASN  22          1HB       ASN  22  -6.343 -22.972  -1.644
  162   1HD2  ASN  22          1HD2      ASN  22  -9.571 -21.576  -1.674
  163   2HD2  ASN  22          2HD2      ASN  22 -10.362 -22.908  -0.978
  164    H    ALA  23           H        ALA  23  -4.086 -21.619  -0.410
  165    HA   ALA  23           HA       ALA  23  -3.209 -18.957  -0.521
  166   1HB   ALA  23          1HB       ALA  23  -1.557 -20.670  -0.339
  167   2HB   ALA  23          2HB       ALA  23  -1.275 -19.912  -1.906
  168   3HB   ALA  23          3HB       ALA  23  -2.110 -21.462  -1.814
  169    H    ALA  24           H        ALA  24  -5.057 -20.669  -2.858
  170    HA   ALA  24           HA       ALA  24  -4.161 -19.287  -5.218
  171   1HB   ALA  24          1HB       ALA  24  -5.511 -21.381  -5.262
  172   2HB   ALA  24          2HB       ALA  24  -6.228 -20.102  -6.241
  173   3HB   ALA  24          3HB       ALA  24  -6.897 -20.476  -4.653
  174    H    GLN  25           H        GLN  25  -7.091 -18.714  -3.175
  175    HA   GLN  25           HA       GLN  25  -7.796 -16.310  -4.575
  176   1HB   GLN  25          2HB       GLN  25  -8.482 -17.352  -1.824
  177   2HB   GLN  25          1HB       GLN  25  -9.106 -15.818  -2.422
  178   1HG   GLN  25          2HG       GLN  25 -10.699 -16.873  -3.672
  179   2HG   GLN  25          1HG       GLN  25  -9.493 -17.891  -4.450
  180   1HE2  GLN  25          1HE2      GLN  25  -8.997 -19.982  -3.433
  181   2HE2  GLN  25          2HE2      GLN  25 -10.073 -20.679  -2.323
  182    H    VAL  26           H        VAL  26  -5.288 -16.925  -2.307
  183    HA   VAL  26           HA       VAL  26  -5.118 -14.265  -1.189
  184    HB   VAL  26           HB       VAL  26  -3.217 -16.602  -1.449
  185   1HG1  VAL  26          1HG1      VAL  26  -1.682 -15.243   0.061
  186   2HG1  VAL  26          2HG1      VAL  26  -2.613 -13.830  -0.431
  187   3HG1  VAL  26          3HG1      VAL  26  -1.727 -14.766  -1.632
  188   1HG2  VAL  26          1HG2      VAL  26  -4.696 -17.002   0.321
  189   2HG2  VAL  26          2HG2      VAL  26  -4.747 -15.309   0.801
  190   3HG2  VAL  26          3HG2      VAL  26  -3.317 -16.279   1.139
  191    H    LYS  27           H        LYS  27  -3.428 -15.970  -3.816
  192    HA   LYS  27           HA       LYS  27  -1.820 -13.859  -4.752
  193   1HB   LYS  27          2HB       LYS  27  -3.231 -15.927  -6.462
  194   2HB   LYS  27          1HB       LYS  27  -1.761 -15.046  -6.876
  195   1HG   LYS  27          2HG       LYS  27  -0.518 -16.140  -5.143
  196   2HG   LYS  27          1HG       LYS  27  -1.970 -16.830  -4.445
  197   1HD   LYS  27          2HD       LYS  27  -0.651 -18.470  -5.812
  198   2HD   LYS  27          1HD       LYS  27  -2.310 -18.259  -6.365
  199   1HE   LYS  27          2HE       LYS  27  -1.663 -17.075  -8.273
  200   2HE   LYS  27          1HE       LYS  27  -0.135 -16.560  -7.563
  201   1HZ   LYS  27          1HZ       LYS  27   0.880 -18.368  -8.302
  202   2HZ   LYS  27          2HZ       LYS  27  -0.499 -18.675  -9.245
  203   3HZ   LYS  27          3HZ       LYS  27  -0.334 -19.398  -7.717
  204    H    ASP  28           H        ASP  28  -5.178 -14.618  -5.408
  205    HA   ASP  28           HA       ASP  28  -5.626 -12.690  -7.471
  206   1HB   ASP  28          2HB       ASP  28  -7.095 -14.698  -6.306
  207   2HB   ASP  28          1HB       ASP  28  -7.912 -13.293  -5.661
  208    H    ALA  29           H        ALA  29  -6.737 -12.488  -4.080
  209    HA   ALA  29           HA       ALA  29  -7.536  -9.815  -4.121
  210   1HB   ALA  29          1HB       ALA  29  -6.401 -11.549  -1.943
  211   2HB   ALA  29          2HB       ALA  29  -8.046 -10.953  -2.151
  212   3HB   ALA  29          3HB       ALA  29  -6.779  -9.857  -1.613
  213    H    LEU  30           H        LEU  30  -4.232 -10.973  -3.302
  214    HA   LEU  30           HA       LEU  30  -3.153  -8.401  -2.846
  215   1HB   LEU  30          2HB       LEU  30  -1.933 -10.964  -3.835
  216   2HB   LEU  30          1HB       LEU  30  -0.937  -9.520  -3.575
  217    HG   LEU  30           HG       LEU  30  -2.781 -10.649  -1.441
  218   1HD1  LEU  30          1HD1      LEU  30  -0.873 -11.813  -0.491
  219   2HD1  LEU  30          2HD1      LEU  30   0.181 -11.196  -1.763
  220   3HD1  LEU  30          3HD1      LEU  30  -1.094 -12.352  -2.155
  221   1HD2  LEU  30          1HD2      LEU  30  -2.178  -8.478  -0.774
  222   2HD2  LEU  30          2HD2      LEU  30  -0.589  -8.573  -1.529
  223   3HD2  LEU  30          3HD2      LEU  30  -0.906  -9.437  -0.028
  224    H    THR  31           H        THR  31  -3.613 -10.161  -5.900
  225    HA   THR  31           HA       THR  31  -2.174  -8.313  -7.522
  226    HB   THR  31           HB       THR  31  -4.513 -10.134  -8.129
  227    HG1  THR  31           1HG      THR  31  -1.921 -10.464  -9.084
  228   1HG2  THR  31          1HG2      THR  31  -2.804  -8.427  -9.932
  229   2HG2  THR  31          2HG2      THR  31  -4.562  -8.430  -9.797
  230   3HG2  THR  31          3HG2      THR  31  -3.730  -9.806 -10.519
  231    H    LYS  32           H        LYS  32  -5.458  -8.277  -6.198
  232    HA   LYS  32           HA       LYS  32  -6.290  -5.973  -7.784
  233   1HB   LYS  32          2HB       LYS  32  -7.576  -6.617  -5.129
  234   2HB   LYS  32          1HB       LYS  32  -8.322  -6.024  -6.610
  235   1HG   LYS  32          2HG       LYS  32  -7.174  -8.796  -6.294
  236   2HG   LYS  32          1HG       LYS  32  -8.859  -8.422  -6.046
  237   1HD   LYS  32          2HD       LYS  32  -9.303  -8.336  -8.288
  238   2HD   LYS  32          1HD       LYS  32  -7.851  -7.411  -8.636
  239   1HE   LYS  32          2HE       LYS  32  -6.536  -9.326  -8.912
  240   2HE   LYS  32          1HE       LYS  32  -7.614 -10.342  -7.952
  241   1HZ   LYS  32          1HZ       LYS  32  -8.897  -9.193 -10.245
  242   2HZ   LYS  32          2HZ       LYS  32  -8.839 -10.811  -9.732
  243   3HZ   LYS  32          3HZ       LYS  32  -7.574 -10.167 -10.665
  244    H    MET  33           H        MET  33  -4.871  -6.551  -4.614
  245    HA   MET  33           HA       MET  33  -5.036  -3.916  -3.588
  246   1HB   MET  33          2HB       MET  33  -3.049  -6.149  -3.260
  247   2HB   MET  33          1HB       MET  33  -2.845  -4.627  -2.412
  248   1HG   MET  33          2HG       MET  33  -5.538  -5.466  -2.006
  249   2HG   MET  33          1HG       MET  33  -4.531  -6.851  -1.678
  250   1HE   MET  33          1HE       MET  33  -4.319  -2.691   0.097
  251   2HE   MET  33          2HE       MET  33  -5.879  -3.500   0.193
  252   3HE   MET  33          3HE       MET  33  -5.108  -3.267  -1.371
  253    H    ARG  34           H        ARG  34  -2.625  -5.429  -5.751
  254    HA   ARG  34           HA       ARG  34  -0.786  -3.300  -5.953
  255   1HB   ARG  34          2HB       ARG  34  -1.741  -5.494  -7.686
  256   2HB   ARG  34          1HB       ARG  34  -1.056  -4.154  -8.591
  257   1HG   ARG  34          2HG       ARG  34   0.729  -5.725  -8.120
  258   2HG   ARG  34          1HG       ARG  34   0.987  -4.299  -7.118
  259   1HD   ARG  34          2HD       ARG  34  -0.557  -6.660  -6.057
  260   2HD   ARG  34          1HD       ARG  34   1.203  -6.642  -6.006
  261    HE   ARG  34           HE       ARG  34   0.682  -4.258  -4.857
  262   1HH1  ARG  34          1HH2      ARG  34  -0.640  -7.397  -4.395
  263   2HH1  ARG  34          2HH2      ARG  34  -1.263  -7.038  -2.819
  264   1HH2  ARG  34          1HH1      ARG  34  -0.121  -3.762  -2.837
  265   2HH2  ARG  34          2HH1      ARG  34  -0.987  -4.966  -1.946
  266    H    ALA  35           H        ALA  35  -3.778  -3.839  -7.793
  267    HA   ALA  35           HA       ALA  35  -3.717  -1.281  -9.131
  268   1HB   ALA  35          1HB       ALA  35  -6.219  -2.885  -8.627
  269   2HB   ALA  35          2HB       ALA  35  -4.986  -3.445  -9.760
  270   3HB   ALA  35          3HB       ALA  35  -5.802  -1.903 -10.033
  271    H    ALA  36           H        ALA  36  -5.767  -2.482  -6.441
  272    HA   ALA  36           HA       ALA  36  -6.997   0.039  -5.874
  273   1HB   ALA  36          1HB       ALA  36  -6.431  -2.026  -3.748
  274   2HB   ALA  36          2HB       ALA  36  -7.604  -2.344  -5.025
  275   3HB   ALA  36          3HB       ALA  36  -7.841  -0.983  -3.932
  276    H    ALA  37           H        ALA  37  -3.871  -1.303  -5.051
  277    HA   ALA  37           HA       ALA  37  -3.271   0.395  -2.813
  278   1HB   ALA  37          1HB       ALA  37  -0.868  -0.077  -3.469
  279   2HB   ALA  37          2HB       ALA  37  -1.507  -1.000  -4.829
  280   3HB   ALA  37          3HB       ALA  37  -1.867  -1.499  -3.175
  281    H    LEU  38           H        LEU  38  -1.891   0.709  -6.113
  282    HA   LEU  38           HA       LEU  38  -0.959   3.348  -5.654
  283   1HB   LEU  38          2HB       LEU  38  -1.776   2.154  -8.311
  284   2HB   LEU  38          1HB       LEU  38  -0.747   3.569  -8.070
  285    HG   LEU  38           HG       LEU  38   0.003   0.945  -6.776
  286   1HD1  LEU  38          1HD1      LEU  38   1.406   0.486  -8.821
  287   2HD1  LEU  38          2HD1      LEU  38   0.496   1.747  -9.655
  288   3HD1  LEU  38          3HD1      LEU  38  -0.329   0.300  -9.077
  289   1HD2  LEU  38          1HD2      LEU  38   1.276   2.947  -6.157
  290   2HD2  LEU  38          2HD2      LEU  38   1.567   3.317  -7.856
  291   3HD2  LEU  38          3HD2      LEU  38   2.292   1.885  -7.129
  292    H    ASP  39           H        ASP  39  -4.131   2.168  -6.299
  293    HA   ASP  39           HA       ASP  39  -5.260   4.541  -7.457
  294   1HB   ASP  39          2HB       ASP  39  -6.382   2.226  -7.186
  295   2HB   ASP  39          1HB       ASP  39  -6.708   2.709  -5.522
  296    H    ALA  40           H        ALA  40  -4.646   3.426  -4.164
  297    HA   ALA  40           HA       ALA  40  -5.795   5.660  -2.804
  298   1HB   ALA  40          1HB       ALA  40  -3.442   3.916  -2.006
  299   2HB   ALA  40          2HB       ALA  40  -5.135   3.600  -1.624
  300   3HB   ALA  40          3HB       ALA  40  -4.321   5.000  -0.927
  301    H    GLN  41           H        GLN  41  -2.763   5.158  -4.522
  302    HA   GLN  41           HA       GLN  41  -1.165   7.272  -3.578
  303   1HB   GLN  41          2HB       GLN  41  -0.776   5.606  -5.618
  304   2HB   GLN  41          1HB       GLN  41  -1.483   6.904  -6.568
  305   1HG   GLN  41          2HG       GLN  41   1.061   6.976  -4.918
  306   2HG   GLN  41          1HG       GLN  41   0.856   7.301  -6.637
  307   1HE2  GLN  41          1HE2      GLN  41  -0.253   9.355  -7.240
  308   2HE2  GLN  41          2HE2      GLN  41  -0.270  10.655  -6.149
  309    H    LYS  42           H        LYS  42  -3.828   7.333  -5.899
  310    HA   LYS  42           HA       LYS  42  -3.845  10.324  -5.833
  311   1HB   LYS  42          2HB       LYS  42  -5.732   8.801  -7.592
  312   2HB   LYS  42          1HB       LYS  42  -4.807  10.260  -7.932
  313   1HG   LYS  42          2HG       LYS  42  -2.733   8.585  -7.758
  314   2HG   LYS  42          1HG       LYS  42  -3.965   7.382  -8.127
  315   1HD   LYS  42          2HD       LYS  42  -3.272   7.963 -10.274
  316   2HD   LYS  42          1HD       LYS  42  -4.621   9.077 -10.057
  317   1HE   LYS  42          2HE       LYS  42  -3.073  10.857  -9.384
  318   2HE   LYS  42          1HE       LYS  42  -1.711   9.742  -9.505
  319   1HZ   LYS  42          1HZ       LYS  42  -2.492   9.409 -11.892
  320   2HZ   LYS  42          2HZ       LYS  42  -1.714  10.873 -11.520
  321   3HZ   LYS  42          3HZ       LYS  42  -3.405  10.821 -11.671
  322    H    ALA  43           H        ALA  43  -4.985   8.200  -3.801
  323    HA   ALA  43           HA       ALA  43  -7.293   9.777  -3.032
  324   1HB   ALA  43          1HB       ALA  43  -8.510   8.533  -4.651
  325   2HB   ALA  43          2HB       ALA  43  -8.829   7.713  -3.125
  326   3HB   ALA  43          3HB       ALA  43  -7.657   7.041  -4.257
  327    H    THR  44           H        THR  44  -5.301   9.563  -1.491
  328    HA   THR  44           HA       THR  44  -5.536   7.156   0.264
  329    HB   THR  44           HB       THR  44  -3.300   7.424  -0.407
  330    HG1  THR  44           1HG      THR  44  -2.429   7.617   1.475
  331   1HG2  THR  44          1HG2      THR  44  -2.319   9.916  -0.074
  332   2HG2  THR  44          2HG2      THR  44  -3.985  10.324  -0.457
  333   3HG2  THR  44          3HG2      THR  44  -3.029   9.374  -1.592
  334    HA   PRO  45           HA       PRO  45  -7.636   9.068   3.632
  335   1HB   PRO  45          2HB       PRO  45  -4.973   8.842   5.056
  336   2HB   PRO  45          1HB       PRO  45  -6.612   8.592   5.695
  337   1HG   PRO  45          2HG       PRO  45  -5.175   6.523   4.918
  338   2HG   PRO  45          1HG       PRO  45  -6.897   6.612   4.543
  339   1HD   PRO  45          2HD       PRO  45  -4.576   6.917   2.708
  340   2HD   PRO  45          1HD       PRO  45  -6.231   6.391   2.337
  341    HA   PRO  46           HA       PRO  46  -5.380  13.157   3.938
  342   1HB   PRO  46          2HB       PRO  46  -2.691  13.318   3.228
  343   2HB   PRO  46          1HB       PRO  46  -3.276  12.882   4.846
  344   1HG   PRO  46          2HG       PRO  46  -1.893  11.196   3.000
  345   2HG   PRO  46          1HG       PRO  46  -2.576  10.743   4.572
  346   1HD   PRO  46          2HD       PRO  46  -3.757  10.443   1.845
  347   2HD   PRO  46          1HD       PRO  46  -3.941   9.404   3.269
  348    H    LYS  47           H        LYS  47  -5.142  11.368   1.073
  349    HA   LYS  47           HA       LYS  47  -5.456  11.988  -1.147
  350   1HB   LYS  47          2HB       LYS  47  -5.713  14.893  -0.376
  351   2HB   LYS  47          1HB       LYS  47  -6.500  14.021  -1.678
  352   1HG   LYS  47          2HG       LYS  47  -8.279  13.437  -0.373
  353   2HG   LYS  47          1HG       LYS  47  -7.260  12.936   0.962
  354   1HD   LYS  47          2HD       LYS  47  -8.563  14.782   1.757
  355   2HD   LYS  47          1HD       LYS  47  -6.935  15.419   1.498
  356   1HE   LYS  47          2HE       LYS  47  -8.537  16.977   0.544
  357   2HE   LYS  47          1HE       LYS  47  -7.668  16.192  -0.774
  358   1HZ   LYS  47          1HZ       LYS  47  -9.904  14.635  -0.091
  359   2HZ   LYS  47          2HZ       LYS  47  -9.574  15.427  -1.557
  360   3HZ   LYS  47          3HZ       LYS  47 -10.416  16.236  -0.322
  361    H    LEU  48           H        LEU  48  -3.039  13.013   0.862
  362    HA   LEU  48           HA       LEU  48  -0.860  13.734   0.535
  363   1HB   LEU  48          2HB       LEU  48  -0.850  12.069  -1.353
  364   2HB   LEU  48          1HB       LEU  48  -1.403  13.330  -2.435
  365    HG   LEU  48           HG       LEU  48   1.056  12.955  -2.557
  366   1HD1  LEU  48          1HD1      LEU  48   1.560  15.178  -2.872
  367   2HD1  LEU  48          2HD1      LEU  48   0.796  15.695  -1.371
  368   3HD1  LEU  48          3HD1      LEU  48  -0.193  15.302  -2.775
  369   1HD2  LEU  48          1HD2      LEU  48   2.506  13.294  -0.767
  370   2HD2  LEU  48          2HD2      LEU  48   1.145  12.498   0.021
  371   3HD2  LEU  48          3HD2      LEU  48   1.344  14.247   0.148
  372    H    GLU  49           H        GLU  49  -2.959  15.021  -2.062
  373    HA   GLU  49           HA       GLU  49  -1.881  17.746  -1.570
  374   1HB   GLU  49          2HB       GLU  49  -3.908  16.716  -3.580
  375   2HB   GLU  49          1HB       GLU  49  -3.371  18.390  -3.457
  376   1HG   GLU  49          2HG       GLU  49  -0.977  17.420  -3.729
  377   2HG   GLU  49          1HG       GLU  49  -1.791  15.964  -4.306
  378    H    ASP  50           H        ASP  50  -2.813  18.550   0.296
  379    HA   ASP  50           HA       ASP  50  -5.705  18.060   0.816
  380   1HB   ASP  50          2HB       ASP  50  -3.440  19.263   2.427
  381   2HB   ASP  50          1HB       ASP  50  -5.121  19.404   2.943
  382    H    LYS  51           H        LYS  51  -3.809  20.200  -0.851
  383    HA   LYS  51           HA       LYS  51  -5.958  22.089  -1.263
  384   1HB   LYS  51          2HB       LYS  51  -4.486  24.072  -0.494
  385   2HB   LYS  51          1HB       LYS  51  -5.323  23.149   0.752
  386   1HG   LYS  51          2HG       LYS  51  -2.699  21.966   0.177
  387   2HG   LYS  51          1HG       LYS  51  -2.533  23.661   0.621
  388   1HD   LYS  51          2HD       LYS  51  -3.897  23.231   2.659
  389   2HD   LYS  51          1HD       LYS  51  -3.975  21.526   2.221
  390   1HE   LYS  51          2HE       LYS  51  -1.656  23.113   3.254
  391   2HE   LYS  51          1HE       LYS  51  -2.126  21.454   3.614
  392   1HZ   LYS  51          1HZ       LYS  51  -1.267  20.709   1.568
  393   2HZ   LYS  51          2HZ       LYS  51  -0.076  21.720   2.236
  394   3HZ   LYS  51          3HZ       LYS  51  -1.070  22.286   0.979
  395    H    SER  52           H        SER  52  -2.423  22.559  -1.280
  396    HA   SER  52           HA       SER  52  -2.078  21.825  -4.013
  397   1HB   SER  52          2HB       SER  52  -2.542  24.724  -3.355
  398   2HB   SER  52          1HB       SER  52  -1.544  24.266  -4.734
  399    HG   SER  52           HG       SER  52  -3.329  23.897  -5.758
  400    HA   PRO  53           HA       PRO  53   1.605  22.402  -1.014
  401   1HB   PRO  53          2HB       PRO  53   2.105  19.658  -2.134
  402   2HB   PRO  53          1HB       PRO  53   2.337  20.258  -0.483
  403   1HG   PRO  53          2HG       PRO  53   0.270  18.700  -1.103
  404   2HG   PRO  53          1HG       PRO  53   0.100  20.038   0.051
  405   1HD   PRO  53          2HD       PRO  53  -0.840  19.871  -2.792
  406   2HD   PRO  53          1HD       PRO  53  -1.575  20.693  -1.401
  407    H    ASP  54           H        ASP  54   2.124  20.289  -3.825
  408    HA   ASP  54           HA       ASP  54   3.669  22.443  -5.192
  409   1HB   ASP  54          2HB       ASP  54   4.704  19.605  -4.925
  410   2HB   ASP  54          1HB       ASP  54   5.571  21.027  -5.516
  411    H    SER  55           H        SER  55   2.841  19.004  -5.512
  412    HA   SER  55           HA       SER  55   1.132  18.200  -7.014
  413   1HB   SER  55          2HB       SER  55   0.691  19.118  -9.170
  414   2HB   SER  55          1HB       SER  55   0.686  20.443  -8.019
  415    HG   SER  55           HG       SER  55   2.618  19.723  -9.947
  416    HA   PRO  56           HA       PRO  56   4.653  16.529  -9.713
  417   1HB   PRO  56          2HB       PRO  56   7.203  17.703  -8.862
  418   2HB   PRO  56          1HB       PRO  56   6.478  17.710 -10.481
  419   1HG   PRO  56          2HG       PRO  56   6.763  19.946  -8.959
  420   2HG   PRO  56          1HG       PRO  56   5.467  19.739 -10.154
  421   1HD   PRO  56          2HD       PRO  56   5.348  19.382  -7.167
  422   2HD   PRO  56          1HD       PRO  56   4.203  20.175  -8.257
  423    H    GLU  57           H        GLU  57   5.779  17.617  -6.535
  424    HA   GLU  57           HA       GLU  57   7.225  15.305  -5.770
  425   1HB   GLU  57          2HB       GLU  57   6.913  17.686  -4.627
  426   2HB   GLU  57          1HB       GLU  57   5.638  16.861  -3.737
  427   1HG   GLU  57          2HG       GLU  57   7.561  16.563  -2.389
  428   2HG   GLU  57          1HG       GLU  57   7.409  15.035  -3.259
  429    H    MET  58           H        MET  58   4.006  15.492  -6.564
  430    HA   MET  58           HA       MET  58   2.821  13.865  -4.510
  431   1HB   MET  58          2HB       MET  58   1.390  15.162  -5.954
  432   2HB   MET  58          1HB       MET  58   2.032  14.372  -7.392
  433   1HG   MET  58          2HG       MET  58   0.834  12.598  -5.292
  434   2HG   MET  58          1HG       MET  58  -0.276  13.581  -6.244
  435   1HE   MET  58          1HE       MET  58  -0.178  12.441  -9.713
  436   2HE   MET  58          2HE       MET  58  -0.312  13.804  -8.606
  437   3HE   MET  58          3HE       MET  58  -1.357  12.402  -8.395
  438    H    LYS  59           H        LYS  59   3.975  12.972  -7.816
  439    HA   LYS  59           HA       LYS  59   3.529  10.198  -7.520
  440   1HB   LYS  59          2HB       LYS  59   4.548  11.694  -9.541
  441   2HB   LYS  59          1HB       LYS  59   6.048  11.003  -8.933
  442   1HG   LYS  59          2HG       LYS  59   5.447   9.304 -10.402
  443   2HG   LYS  59          1HG       LYS  59   4.583   8.729  -8.972
  444   1HD   LYS  59          2HD       LYS  59   2.530   9.829  -9.758
  445   2HD   LYS  59          1HD       LYS  59   3.387  10.464 -11.163
  446   1HE   LYS  59          2HE       LYS  59   3.843   8.195 -11.951
  447   2HE   LYS  59          1HE       LYS  59   3.077   7.524 -10.511
  448   1HZ   LYS  59          1HZ       LYS  59   1.543   9.399 -12.156
  449   2HZ   LYS  59          2HZ       LYS  59   1.004   8.077 -11.235
  450   3HZ   LYS  59          3HZ       LYS  59   1.755   7.820 -12.737
  451    H    ASP  60           H        ASP  60   6.204  12.222  -6.346
  452    HA   ASP  60           HA       ASP  60   7.932  10.129  -5.498
  453   1HB   ASP  60          2HB       ASP  60   7.404  12.831  -4.212
  454   2HB   ASP  60          1HB       ASP  60   8.725  11.759  -3.764
  455    H    PHE  61           H        PHE  61   4.964  11.466  -4.144
  456    HA   PHE  61           HA       PHE  61   5.083  10.159  -1.616
  457   1HB   PHE  61          2HB       PHE  61   3.308  11.853  -2.590
  458   2HB   PHE  61          1HB       PHE  61   2.492  10.400  -3.155
  459    HD1  PHE  61           1HD      PHE  61   0.796   9.647  -1.739
  460    HD2  PHE  61           2HD      PHE  61   4.271  11.498   0.001
  461    HE1  PHE  61           1HE      PHE  61  -0.151   9.329   0.522
  462    HE2  PHE  61           2HE      PHE  61   3.319  11.156   2.255
  463    HZ   PHE  61           HZ       PHE  61   1.107  10.076   2.519
  464    H    ARG  62           H        ARG  62   4.358   9.071  -4.870
  465    HA   ARG  62           HA       ARG  62   3.317   6.483  -4.320
  466   1HB   ARG  62          2HB       ARG  62   3.768   7.682  -6.624
  467   2HB   ARG  62          1HB       ARG  62   5.350   6.911  -6.512
  468   1HG   ARG  62          2HG       ARG  62   3.918   4.727  -5.977
  469   2HG   ARG  62          1HG       ARG  62   2.635   5.652  -6.777
  470   1HD   ARG  62          2HD       ARG  62   3.587   4.491  -8.565
  471   2HD   ARG  62          1HD       ARG  62   4.416   6.045  -8.653
  472    HE   ARG  62           HE       ARG  62   5.792   4.022  -7.027
  473   1HH1  ARG  62          1HH2      ARG  62   5.304   5.483 -10.114
  474   2HH1  ARG  62          2HH2      ARG  62   6.847   5.000 -10.734
  475   1HH2  ARG  62          1HH1      ARG  62   7.807   3.382  -7.820
  476   2HH2  ARG  62          2HH1      ARG  62   8.263   3.808  -9.436
  477    H    HIS  63           H        HIS  63   6.718   7.630  -4.529
  478    HA   HIS  63           HA       HIS  63   7.977   5.171  -4.061
  479   1HB   HIS  63          2HB       HIS  63   9.740   6.601  -4.175
  480   2HB   HIS  63          1HB       HIS  63   8.681   7.966  -3.936
  481    HD1  HIS  63           1HD      HIS  63  11.094   5.753  -2.151
  482    HD2  HIS  63           2HD      HIS  63   8.491   8.870  -1.207
  483    HE1  HIS  63           1HE      HIS  63  11.708   6.519   0.185
  484    H    GLY  64           H        GLY  64   6.098   7.186  -1.913
  485   1HA   GLY  64          2HA       GLY  64   6.857   5.822   0.547
  486   2HA   GLY  64          1HA       GLY  64   5.440   6.859   0.338
  487    H    PHE  65           H        PHE  65   4.038   5.659  -1.635
  488    HA   PHE  65           HA       PHE  65   2.832   3.338  -0.360
  489   1HB   PHE  65          2HB       PHE  65   2.446   5.009  -2.795
  490   2HB   PHE  65          1HB       PHE  65   1.885   3.358  -2.958
  491    HD1  PHE  65           1HD      PHE  65   1.330   6.600  -1.419
  492    HD2  PHE  65           2HD      PHE  65   0.141   2.481  -1.418
  493    HE1  PHE  65           1HE      PHE  65  -0.742   7.203  -0.227
  494    HE2  PHE  65           2HE      PHE  65  -1.949   3.081  -0.220
  495    HZ   PHE  65           HZ       PHE  65  -2.393   5.447   0.368
  496    H    ASP  66           H        ASP  66   5.023   3.913  -3.046
  497    HA   ASP  66           HA       ASP  66   5.001   1.422  -4.270
  498   1HB   ASP  66          2HB       ASP  66   6.351   3.560  -4.877
  499   2HB   ASP  66          1HB       ASP  66   7.599   2.897  -3.822
  500    H    ILE  67           H        ILE  67   6.754   2.524  -1.388
  501    HA   ILE  67           HA       ILE  67   8.262   0.130  -0.916
  502    HB   ILE  67           HB       ILE  67   7.286   2.270   0.989
  503   1HG1  ILE  67          2HG1      ILE  67   8.938   2.655  -1.153
  504   2HG1  ILE  67          1HG1      ILE  67   9.084   3.561   0.343
  505   1HG2  ILE  67          1HG2      ILE  67   7.905   0.395   2.312
  506   2HG2  ILE  67          2HG2      ILE  67   9.309   1.462   2.334
  507   3HG2  ILE  67          3HG2      ILE  67   9.300   0.036   1.294
  508   1HD1  ILE  67          1HD1      ILE  67  10.873   2.167   1.117
  509   2HD1  ILE  67          2HD1      ILE  67  11.242   2.548  -0.565
  510   3HD1  ILE  67          3HD1      ILE  67  10.574   0.970  -0.144
  511    H    LEU  68           H        LEU  68   5.399   1.330   0.920
  512    HA   LEU  68           HA       LEU  68   4.988  -1.071   2.314
  513   1HB   LEU  68          2HB       LEU  68   2.870  -0.251   2.975
  514   2HB   LEU  68          1HB       LEU  68   3.872   1.171   2.730
  515    HG   LEU  68           HG       LEU  68   2.816   1.098   0.286
  516   1HD1  LEU  68          1HD1      LEU  68   1.437  -0.851   0.410
  517   2HD1  LEU  68          2HD1      LEU  68   0.333   0.505   0.570
  518   3HD1  LEU  68          3HD1      LEU  68   0.818  -0.405   1.997
  519   1HD2  LEU  68          1HD2      LEU  68   2.621   2.963   1.937
  520   2HD2  LEU  68          2HD2      LEU  68   1.302   2.107   2.731
  521   3HD2  LEU  68          3HD2      LEU  68   1.099   2.700   1.082
  522    H    VAL  69           H        VAL  69   3.685  -0.163  -0.892
  523    HA   VAL  69           HA       VAL  69   2.250  -2.629  -1.225
  524    HB   VAL  69           HB       VAL  69   2.467  -0.281  -2.691
  525   1HG1  VAL  69          1HG1      VAL  69   3.552  -2.463  -4.474
  526   2HG1  VAL  69          2HG1      VAL  69   4.544  -1.178  -3.788
  527   3HG1  VAL  69          3HG1      VAL  69   3.243  -0.781  -4.906
  528   1HG2  VAL  69          1HG2      VAL  69   0.889  -1.358  -4.257
  529   2HG2  VAL  69          2HG2      VAL  69   0.502  -1.717  -2.572
  530   3HG2  VAL  69          3HG2      VAL  69   1.307  -2.926  -3.569
  531    H    GLY  70           H        GLY  70   5.562  -1.891  -1.205
  532   1HA   GLY  70          2HA       GLY  70   6.470  -3.810  -3.112
  533   2HA   GLY  70          1HA       GLY  70   7.462  -3.101  -1.842
  534    H    GLN  71           H        GLN  71   6.650  -4.057   0.488
  535    HA   GLN  71           HA       GLN  71   7.280  -6.873   0.275
  536   1HB   GLN  71          2HB       GLN  71   6.121  -6.070   2.881
  537   2HB   GLN  71          1HB       GLN  71   7.677  -6.767   2.522
  538   1HG   GLN  71          2HG       GLN  71   8.245  -4.640   3.325
  539   2HG   GLN  71          1HG       GLN  71   8.303  -4.430   1.577
  540   1HE2  GLN  71          1HE2      GLN  71   5.084  -4.821   2.466
  541   2HE2  GLN  71          2HE2      GLN  71   4.636  -3.188   2.599
  542    H    ILE  72           H        ILE  72   4.298  -5.125   0.277
  543    HA   ILE  72           HA       ILE  72   2.569  -7.223   1.195
  544    HB   ILE  72           HB       ILE  72   2.178  -4.879  -0.664
  545   1HG1  ILE  72          2HG1      ILE  72   1.035  -5.531   2.066
  546   2HG1  ILE  72          1HG1      ILE  72   2.466  -4.541   1.812
  547   1HG2  ILE  72          1HG2      ILE  72   0.593  -6.415  -1.520
  548   2HG2  ILE  72          2HG2      ILE  72  -0.325  -5.460  -0.357
  549   3HG2  ILE  72          3HG2      ILE  72   0.239  -7.071   0.078
  550   1HD1  ILE  72          1HD1      ILE  72   0.535  -3.406   0.113
  551   2HD1  ILE  72          2HD1      ILE  72   1.074  -2.777   1.667
  552   3HD1  ILE  72          3HD1      ILE  72  -0.336  -3.826   1.581
  553    H    ASP  73           H        ASP  73   3.300  -6.176  -2.145
  554    HA   ASP  73           HA       ASP  73   2.135  -8.422  -3.447
  555   1HB   ASP  73          2HB       ASP  73   3.381  -7.728  -5.392
  556   2HB   ASP  73          1HB       ASP  73   2.946  -6.256  -4.524
  557    H    ASP  74           H        ASP  74   5.364  -7.965  -1.976
  558    HA   ASP  74           HA       ASP  74   6.447 -10.365  -3.084
  559   1HB   ASP  74          2HB       ASP  74   7.824  -8.659  -1.946
  560   2HB   ASP  74          1HB       ASP  74   7.073  -9.088  -0.404
  561    H    ALA  75           H        ALA  75   4.039  -9.791  -0.684
  562    HA   ALA  75           HA       ALA  75   4.271 -12.407   0.572
  563   1HB   ALA  75          1HB       ALA  75   1.760 -10.727   0.387
  564   2HB   ALA  75          2HB       ALA  75   3.029 -10.409   1.571
  565   3HB   ALA  75          3HB       ALA  75   2.164 -11.946   1.598
  566    H    LEU  76           H        LEU  76   2.705 -10.912  -2.148
  567    HA   LEU  76           HA       LEU  76   0.965 -12.998  -3.029
  568   1HB   LEU  76          2HB       LEU  76   1.323 -10.538  -3.871
  569   2HB   LEU  76          1HB       LEU  76   2.587 -11.222  -4.884
  570    HG   LEU  76           HG       LEU  76  -0.291 -12.154  -4.856
  571   1HD1  LEU  76          1HD1      LEU  76  -0.525 -10.948  -6.978
  572   2HD1  LEU  76          2HD1      LEU  76   1.146 -10.400  -6.865
  573   3HD1  LEU  76          3HD1      LEU  76  -0.050  -9.827  -5.703
  574   1HD2  LEU  76          1HD2      LEU  76   2.159 -12.932  -6.415
  575   2HD2  LEU  76          2HD2      LEU  76   0.569 -13.069  -7.167
  576   3HD2  LEU  76          3HD2      LEU  76   0.921 -13.951  -5.689
  577    H    LYS  77           H        LYS  77   4.369 -12.316  -3.444
  578    HA   LYS  77           HA       LYS  77   5.064 -14.408  -5.230
  579   1HB   LYS  77          2HB       LYS  77   6.323 -12.285  -4.346
  580   2HB   LYS  77          1HB       LYS  77   6.897 -13.361  -3.083
  581   1HG   LYS  77          2HG       LYS  77   7.841 -14.862  -4.779
  582   2HG   LYS  77          1HG       LYS  77   7.206 -13.825  -6.053
  583   1HD   LYS  77          2HD       LYS  77   9.343 -12.920  -5.929
  584   2HD   LYS  77          1HD       LYS  77   8.583 -11.933  -4.673
  585   1HE   LYS  77          2HE       LYS  77  10.487 -12.720  -3.570
  586   2HE   LYS  77          1HE       LYS  77   9.294 -13.930  -3.094
  587   1HZ   LYS  77          1HZ       LYS  77  10.090 -15.420  -4.727
  588   2HZ   LYS  77          2HZ       LYS  77  11.463 -14.822  -3.923
  589   3HZ   LYS  77          3HZ       LYS  77  11.051 -14.232  -5.462
  590    H    LEU  78           H        LEU  78   5.118 -14.198  -1.713
  591    HA   LEU  78           HA       LEU  78   6.095 -16.820  -1.221
  592   1HB   LEU  78          2HB       LEU  78   4.913 -14.544   0.204
  593   2HB   LEU  78          1HB       LEU  78   4.557 -16.072   0.956
  594    HG   LEU  78           HG       LEU  78   7.012 -16.620   0.901
  595   1HD1  LEU  78          1HD1      LEU  78   8.514 -14.601   0.591
  596   2HD1  LEU  78          2HD1      LEU  78   7.119 -13.758  -0.079
  597   3HD1  LEU  78          3HD1      LEU  78   7.754 -15.192  -0.886
  598   1HD2  LEU  78          1HD2      LEU  78   7.603 -14.928   2.692
  599   2HD2  LEU  78          2HD2      LEU  78   6.101 -15.812   2.961
  600   3HD2  LEU  78          3HD2      LEU  78   6.053 -14.155   2.360
  601    H    ALA  79           H        ALA  79   2.747 -15.526  -1.060
  602    HA   ALA  79           HA       ALA  79   1.342 -17.858  -0.545
  603   1HB   ALA  79          1HB       ALA  79  -0.562 -16.849  -1.552
  604   2HB   ALA  79          2HB       ALA  79   0.430 -15.921  -2.677
  605   3HB   ALA  79          3HB       ALA  79   0.415 -15.503  -0.964
  606    H    ASN  80           H        ASN  80   2.883 -16.933  -3.609
  607    HA   ASN  80           HA       ASN  80   1.675 -19.003  -5.220
  608   1HB   ASN  80          2HB       ASN  80   4.458 -17.801  -5.466
  609   2HB   ASN  80          1HB       ASN  80   3.619 -18.717  -6.710
  610   1HD2  ASN  80          1HD2      ASN  80   1.231 -16.862  -5.191
  611   2HD2  ASN  80          2HD2      ASN  80   1.274 -15.535  -6.229
  612    H    GLU  81           H        GLU  81   4.317 -18.881  -2.931
  613    HA   GLU  81           HA       GLU  81   5.163 -21.652  -3.515
  614   1HB   GLU  81          2HB       GLU  81   6.671 -19.707  -2.681
  615   2HB   GLU  81          1HB       GLU  81   5.953 -20.008  -1.103
  616   1HG   GLU  81          2HG       GLU  81   7.729 -21.473  -0.904
  617   2HG   GLU  81          1HG       GLU  81   6.634 -22.562  -1.750
  618    H    GLY  82           H        GLY  82   2.506 -20.401  -2.092
  619   1HA   GLY  82          2HA       GLY  82   0.841 -21.584  -0.881
  620   2HA   GLY  82          1HA       GLY  82   2.019 -22.848  -0.543
  621    H    LYS  83           H        LYS  83   2.077 -19.331   0.183
  622    HA   LYS  83           HA       LYS  83   2.696 -20.020   3.030
  623   1HB   LYS  83          2HB       LYS  83   2.930 -17.430   1.495
  624   2HB   LYS  83          1HB       LYS  83   3.412 -17.652   3.167
  625   1HG   LYS  83          2HG       LYS  83   4.729 -18.654   0.678
  626   2HG   LYS  83          1HG       LYS  83   5.461 -17.888   2.077
  627   1HD   LYS  83          2HD       LYS  83   4.958 -20.006   3.374
  628   2HD   LYS  83          1HD       LYS  83   4.494 -20.750   1.840
  629   1HE   LYS  83          2HE       LYS  83   6.739 -21.357   1.975
  630   2HE   LYS  83          1HE       LYS  83   6.857 -19.863   1.046
  631   1HZ   LYS  83          1HZ       LYS  83   7.153 -18.711   3.237
  632   2HZ   LYS  83          2HZ       LYS  83   8.436 -19.721   2.767
  633   3HZ   LYS  83          3HZ       LYS  83   7.329 -20.241   3.946
  634    H    VAL  84           H        VAL  84   0.301 -20.552   3.040
  635    HA   VAL  84           HA       VAL  84  -1.662 -18.465   2.972
  636    HB   VAL  84           HB       VAL  84  -1.764 -20.941   4.711
  637   1HG1  VAL  84          1HG1      VAL  84  -3.533 -19.206   5.010
  638   2HG1  VAL  84          2HG1      VAL  84  -4.173 -20.724   4.381
  639   3HG1  VAL  84          3HG1      VAL  84  -3.930 -19.354   3.298
  640   1HG2  VAL  84          1HG2      VAL  84  -2.528 -20.644   1.789
  641   2HG2  VAL  84          2HG2      VAL  84  -2.721 -22.095   2.772
  642   3HG2  VAL  84          3HG2      VAL  84  -1.106 -21.508   2.374
  643    H    LYS  85           H        LYS  85   0.353 -19.742   5.619
  644    HA   LYS  85           HA       LYS  85  -0.901 -18.101   7.640
  645   1HB   LYS  85          2HB       LYS  85   1.452 -18.744   8.801
  646   2HB   LYS  85          1HB       LYS  85   0.116 -19.881   8.682
  647   1HG   LYS  85          2HG       LYS  85   1.176 -21.201   7.119
  648   2HG   LYS  85          1HG       LYS  85   1.968 -19.846   6.337
  649   1HD   LYS  85          2HD       LYS  85   3.648 -19.717   8.046
  650   2HD   LYS  85          1HD       LYS  85   2.778 -20.861   9.065
  651   1HE   LYS  85          2HE       LYS  85   3.817 -21.560   6.308
  652   2HE   LYS  85          1HE       LYS  85   4.733 -21.848   7.787
  653   1HZ   LYS  85          1HZ       LYS  85   3.128 -23.338   8.569
  654   2HZ   LYS  85          2HZ       LYS  85   3.324 -23.744   6.930
  655   3HZ   LYS  85          3HZ       LYS  85   1.972 -22.846   7.431
  656    H    GLU  86           H        GLU  86   2.292 -17.928   6.093
  657    HA   GLU  86           HA       GLU  86   3.077 -15.466   7.225
  658   1HB   GLU  86          2HB       GLU  86   4.016 -17.409   5.311
  659   2HB   GLU  86          1HB       GLU  86   4.257 -15.806   4.610
  660   1HG   GLU  86          2HG       GLU  86   5.315 -15.224   6.932
  661   2HG   GLU  86          1HG       GLU  86   5.407 -16.972   7.142
  662    H    ALA  87           H        ALA  87   1.363 -16.182   4.185
  663    HA   ALA  87           HA       ALA  87   1.378 -13.499   3.193
  664   1HB   ALA  87          1HB       ALA  87  -0.670 -15.685   2.726
  665   2HB   ALA  87          2HB       ALA  87   0.802 -15.439   1.786
  666   3HB   ALA  87          3HB       ALA  87  -0.478 -14.226   1.755
  667    H    GLN  88           H        GLN  88  -1.169 -15.252   5.031
  668    HA   GLN  88           HA       GLN  88  -2.918 -12.991   5.198
  669   1HB   GLN  88          2HB       GLN  88  -2.646 -15.588   6.681
  670   2HB   GLN  88          1HB       GLN  88  -3.619 -14.331   7.438
  671   1HG   GLN  88          2HG       GLN  88  -4.921 -14.125   5.308
  672   2HG   GLN  88          1HG       GLN  88  -4.023 -15.506   4.674
  673   1HE2  GLN  88          1HE2      GLN  88  -4.765 -17.568   5.249
  674   2HE2  GLN  88          2HE2      GLN  88  -5.974 -17.868   6.401
  675    H    ALA  89           H        ALA  89  -0.269 -14.096   7.306
  676    HA   ALA  89           HA       ALA  89  -0.662 -12.177   9.384
  677   1HB   ALA  89          1HB       ALA  89   0.904 -13.923   9.821
  678   2HB   ALA  89          2HB       ALA  89   1.878 -12.458   9.696
  679   3HB   ALA  89          3HB       ALA  89   1.805 -13.585   8.342
  680    H    ALA  90           H        ALA  90   1.107 -12.045   6.311
  681    HA   ALA  90           HA       ALA  90   2.219  -9.440   6.648
  682   1HB   ALA  90          1HB       ALA  90   1.256 -10.705   4.061
  683   2HB   ALA  90          2HB       ALA  90   2.823 -11.032   4.801
  684   3HB   ALA  90          3HB       ALA  90   2.444  -9.411   4.219
  685    H    ALA  91           H        ALA  91  -0.979 -10.579   6.104
  686    HA   ALA  91           HA       ALA  91  -2.139  -8.262   4.879
  687   1HB   ALA  91          1HB       ALA  91  -4.189  -9.316   5.254
  688   2HB   ALA  91          2HB       ALA  91  -3.693  -9.980   6.804
  689   3HB   ALA  91          3HB       ALA  91  -3.095 -10.685   5.304
  690    H    GLU  92           H        GLU  92  -2.051  -9.290   8.319
  691    HA   GLU  92           HA       GLU  92  -3.257  -6.905   9.331
  692   1HB   GLU  92          2HB       GLU  92  -1.602  -9.123  10.482
  693   2HB   GLU  92          1HB       GLU  92  -1.747  -7.653  11.445
  694   1HG   GLU  92          2HG       GLU  92  -4.069  -7.868  11.679
  695   2HG   GLU  92          1HG       GLU  92  -4.223  -8.904  10.261
  696    H    GLN  93           H        GLN  93  -0.218  -7.405   7.895
  697    HA   GLN  93           HA       GLN  93   1.185  -5.268   9.308
  698   1HB   GLN  93          2HB       GLN  93   2.986  -6.157   8.209
  699   2HB   GLN  93          1HB       GLN  93   1.898  -7.373   7.587
  700   1HG   GLN  93          2HG       GLN  93   3.025  -6.504   5.691
  701   2HG   GLN  93          1HG       GLN  93   1.439  -5.752   5.634
  702   1HE2  GLN  93          1HE2      GLN  93   2.376  -4.066   8.078
  703   2HE2  GLN  93          2HE2      GLN  93   3.308  -2.832   7.361
  704    H    LEU  94           H        LEU  94  -0.673  -5.617   6.318
  705    HA   LEU  94           HA       LEU  94  -0.274  -2.900   5.458
  706   1HB   LEU  94          2HB       LEU  94  -1.062  -4.588   3.870
  707   2HB   LEU  94          1HB       LEU  94  -2.508  -4.855   4.835
  708    HG   LEU  94           HG       LEU  94  -3.268  -2.568   4.407
  709   1HD1  LEU  94          1HD1      LEU  94  -1.439  -1.164   4.236
  710   2HD1  LEU  94          2HD1      LEU  94  -1.830  -1.339   2.530
  711   3HD1  LEU  94          3HD1      LEU  94  -0.523  -2.282   3.235
  712   1HD2  LEU  94          1HD2      LEU  94  -4.137  -3.076   2.374
  713   2HD2  LEU  94          2HD2      LEU  94  -3.281  -4.604   2.551
  714   3HD2  LEU  94          3HD2      LEU  94  -2.565  -3.293   1.618
  715    H    LYS  95           H        LYS  95  -2.845  -4.522   7.299
  716    HA   LYS  95           HA       LYS  95  -4.613  -2.356   7.600
  717   1HB   LYS  95          2HB       LYS  95  -3.901  -4.612   9.485
  718   2HB   LYS  95          1HB       LYS  95  -5.221  -3.486   9.802
  719   1HG   LYS  95          2HG       LYS  95  -6.491  -4.240   7.977
  720   2HG   LYS  95          1HG       LYS  95  -5.082  -4.895   7.140
  721   1HD   LYS  95          2HD       LYS  95  -5.320  -6.941   8.140
  722   2HD   LYS  95          1HD       LYS  95  -5.494  -6.235   9.742
  723   1HE   LYS  95          2HE       LYS  95  -7.864  -5.799   9.332
  724   2HE   LYS  95          1HE       LYS  95  -7.713  -6.394   7.680
  725   1HZ   LYS  95          1HZ       LYS  95  -6.665  -8.359   9.315
  726   2HZ   LYS  95          2HZ       LYS  95  -8.135  -8.406   8.462
  727   3HZ   LYS  95          3HZ       LYS  95  -8.099  -7.857  10.070
  728    H    THR  96           H        THR  96  -2.296  -3.364  10.135
  729    HA   THR  96           HA       THR  96  -2.514  -0.879  11.527
  730    HB   THR  96           HB       THR  96  -0.078  -2.642  11.753
  731    HG1  THR  96           1HG      THR  96  -2.396  -3.250  13.172
  732   1HG2  THR  96          1HG2      THR  96  -0.386  -2.092  14.157
  733   2HG2  THR  96          2HG2      THR  96  -1.811  -1.135  13.741
  734   3HG2  THR  96          3HG2      THR  96  -0.217  -0.642  13.169
  735    H    THR  97           H        THR  97  -0.526  -1.808   8.777
  736    HA   THR  97           HA       THR  97   1.633  -0.036   9.040
  737    HB   THR  97           HB       THR  97   0.091  -0.946   6.623
  738    HG1  THR  97           1HG      THR  97   2.838  -1.144   7.045
  739   1HG2  THR  97          1HG2      THR  97   2.164   1.229   6.737
  740   2HG2  THR  97          2HG2      THR  97   0.675   1.170   5.795
  741   3HG2  THR  97          3HG2      THR  97   2.055   0.179   5.325
  742    H    ILE  98           H        ILE  98  -1.489   0.703   7.445
  743    HA   ILE  98           HA       ILE  98  -1.106   3.490   7.190
  744    HB   ILE  98           HB       ILE  98  -3.521   1.705   7.446
  745   1HG1  ILE  98          2HG1      ILE  98  -3.663   3.091   5.022
  746   2HG1  ILE  98          1HG1      ILE  98  -1.929   2.869   5.234
  747   1HG2  ILE  98          1HG2      ILE  98  -4.394   3.646   8.434
  748   2HG2  ILE  98          2HG2      ILE  98  -4.894   3.725   6.748
  749   3HG2  ILE  98          3HG2      ILE  98  -3.551   4.699   7.309
  750   1HD1  ILE  98          1HD1      ILE  98  -2.343   0.444   5.643
  751   2HD1  ILE  98          2HD1      ILE  98  -2.805   0.969   4.027
  752   3HD1  ILE  98          3HD1      ILE  98  -4.043   0.702   5.256
  753    H    ARG  99           H        ARG  99  -2.862   1.778   9.827
  754    HA   ARG  99           HA       ARG  99  -3.271   4.102  11.368
  755   1HB   ARG  99          2HB       ARG  99  -4.051   1.551  11.571
  756   2HB   ARG  99          1HB       ARG  99  -2.735   1.478  12.737
  757   1HG   ARG  99          2HG       ARG  99  -4.507   3.837  13.128
  758   2HG   ARG  99          1HG       ARG  99  -5.333   2.300  13.277
  759   1HD   ARG  99          2HD       ARG  99  -4.463   3.065  15.449
  760   2HD   ARG  99          1HD       ARG  99  -3.700   1.554  14.954
  761    HE   ARG  99           HE       ARG  99  -1.962   3.469  14.009
  762   1HH1  ARG  99          1HH2      ARG  99  -3.512   2.836  17.019
  763   2HH1  ARG  99          2HH2      ARG  99  -2.224   3.494  17.972
  764   1HH2  ARG  99          1HH1      ARG  99  -0.268   4.332  15.233
  765   2HH2  ARG  99          2HH1      ARG  99  -0.389   4.342  16.961
  766    H    ALA 100           H        ALA 100  -0.587   1.720  11.651
  767    HA   ALA 100           HA       ALA 100   0.785   3.106  13.748
  768   1HB   ALA 100          1HB       ALA 100   1.676   1.143  11.637
  769   2HB   ALA 100          2HB       ALA 100   1.519   0.898  13.376
  770   3HB   ALA 100          3HB       ALA 100   2.844   1.869  12.741
  771    H    TYR 101           H        TYR 101   0.747   3.542  10.302
  772    HA   TYR 101           HA       TYR 101   3.023   5.330  10.127
  773   1HB   TYR 101          2HB       TYR 101   0.730   4.550   8.331
  774   2HB   TYR 101          1HB       TYR 101   1.701   5.949   7.902
  775    HD1  TYR 101           1HD      TYR 101   3.188   3.062   9.667
  776    HD2  TYR 101           2HD      TYR 101   2.509   4.882   5.821
  777    HE1  TYR 101           1HE      TYR 101   4.890   1.578   8.662
  778    HE2  TYR 101           2HE      TYR 101   4.220   3.391   4.829
  779    HH   TYR 101           HH       TYR 101   6.224   2.105   5.620
  780    H    ASN 102           H        ASN 102   0.058   5.529  11.545
  781    HA   ASN 102           HA       ASN 102  -0.929   7.381  12.683
  782   1HB   ASN 102          2HB       ASN 102   1.232   8.749  12.153
  783   2HB   ASN 102          1HB       ASN 102   0.378   9.280  10.705
  784   1HD2  ASN 102          1HD2      ASN 102  -1.720  10.413  11.014
  785   2HD2  ASN 102          2HD2      ASN 102  -1.999  11.263  12.461
  786    H    GLN 103           H        GLN 103  -2.383   5.904  11.229
  787    HA   GLN 103           HA       GLN 103  -3.950   5.641   9.559
  788   1HB   GLN 103          2HB       GLN 103  -4.199   8.386  10.653
  789   2HB   GLN 103          1HB       GLN 103  -5.080   8.068   9.156
  790   1HG   GLN 103          2HG       GLN 103  -5.266   6.329  11.638
  791   2HG   GLN 103          1HG       GLN 103  -6.419   7.616  11.259
  792   1HE2  GLN 103          1HE2      GLN 103  -5.362   6.303   8.336
  793   2HE2  GLN 103          2HE2      GLN 103  -6.585   5.165   8.099
  794    H    LYS 104           H        LYS 104  -1.724   5.476   8.499
  795    HA   LYS 104           HA       LYS 104  -0.393   5.682   6.653
  796   1HB   LYS 104          2HB       LYS 104  -2.297   5.160   5.429
  797   2HB   LYS 104          1HB       LYS 104  -3.053   6.693   5.757
  798   1HG   LYS 104          2HG       LYS 104  -2.149   6.411   3.408
  799   2HG   LYS 104          1HG       LYS 104  -1.552   7.843   4.258
  800   1HD   LYS 104          2HD       LYS 104   0.570   6.833   4.665
  801   2HD   LYS 104          1HD       LYS 104  -0.057   5.205   4.379
  802   1HE   LYS 104          2HE       LYS 104  -0.118   5.518   2.043
  803   2HE   LYS 104          1HE       LYS 104  -0.036   7.275   2.178
  804   1HZ   LYS 104          1HZ       LYS 104   2.203   6.128   3.440
  805   2HZ   LYS 104          2HZ       LYS 104   2.158   7.171   2.100
  806   3HZ   LYS 104          3HZ       LYS 104   2.071   5.488   1.876
  807    H    TYR 105           H        TYR 105  -2.157   8.774   6.171
  808    HA   TYR 105           HA       TYR 105   0.224  10.203   7.209
  809   1HB   TYR 105          2HB       TYR 105  -0.276   9.858   4.378
  810   2HB   TYR 105          1HB       TYR 105  -0.447  11.565   4.772
  811    HD1  TYR 105           1HD      TYR 105   1.867   8.656   5.210
  812    HD2  TYR 105           2HD      TYR 105   1.445  12.925   5.093
  813    HE1  TYR 105           1HE      TYR 105   4.327   8.897   5.298
  814    HE2  TYR 105           2HE      TYR 105   3.911  13.170   5.181
  815    HH   TYR 105           HH       TYR 105   6.028  10.324   5.495
  816    H    GLY 106           H        GLY 106  -2.981   9.835   7.287
  817   1HA   GLY 106          2HA       GLY 106  -3.841  12.621   7.156
  818   2HA   GLY 106          1HA       GLY 106  -4.810  11.266   7.732
  Start of MODEL    9
    1    HA   ALA   1           HA       ALA   1 -17.182   8.392  -3.048
    2   1HB   ALA   1          1HB       ALA   1 -17.355   6.785  -0.490
    3   2HB   ALA   1          2HB       ALA   1 -18.508   6.808  -1.822
    4   3HB   ALA   1          3HB       ALA   1 -18.328   8.224  -0.788
    5    H    ASP   2           H        ASP   2 -16.705   8.526   0.302
    6    HA   ASP   2           HA       ASP   2 -15.231  11.033   0.057
    7   1HB   ASP   2          2HB       ASP   2 -16.088   9.432   2.484
    8   2HB   ASP   2          1HB       ASP   2 -15.368  11.039   2.551
    9    H    LEU   3           H        LEU   3 -13.303  11.278   1.719
   10    HA   LEU   3           HA       LEU   3 -11.129   9.761   0.763
   11   1HB   LEU   3          2HB       LEU   3 -11.297  11.981   2.240
   12   2HB   LEU   3          1HB       LEU   3 -11.039  10.855   3.563
   13    HG   LEU   3           HG       LEU   3  -8.881  11.671   2.894
   14   1HD1  LEU   3          1HD1      LEU   3  -9.078   8.977   1.549
   15   2HD1  LEU   3          2HD1      LEU   3  -9.231   9.159   3.296
   16   3HD1  LEU   3          3HD1      LEU   3  -7.742   9.642   2.488
   17   1HD2  LEU   3          1HD2      LEU   3  -9.861  12.185   0.448
   18   2HD2  LEU   3          2HD2      LEU   3  -9.097  10.640   0.080
   19   3HD2  LEU   3          3HD2      LEU   3  -8.137  11.966   0.724
   20    H    GLU   4           H        GLU   4 -13.002   9.312   3.762
   21    HA   GLU   4           HA       GLU   4 -11.513   7.096   4.745
   22   1HB   GLU   4          2HB       GLU   4 -13.436   6.655   6.176
   23   2HB   GLU   4          1HB       GLU   4 -13.148   8.393   6.086
   24   1HG   GLU   4          2HG       GLU   4 -14.861   8.236   4.049
   25   2HG   GLU   4          1HG       GLU   4 -15.372   6.768   4.879
   26    H    ASP   5           H        ASP   5 -13.657   7.229   2.036
   27    HA   ASP   5           HA       ASP   5 -14.453   4.425   2.238
   28   1HB   ASP   5          2HB       ASP   5 -16.024   5.462   0.901
   29   2HB   ASP   5          1HB       ASP   5 -14.878   6.638   0.296
   30    H    ASN   6           H        ASN   6 -11.807   6.200   0.617
   31    HA   ASN   6           HA       ASN   6 -10.857   4.072  -0.999
   32   1HB   ASN   6          2HB       ASN   6  -9.410   5.811  -1.414
   33   2HB   ASN   6          1HB       ASN   6  -9.749   6.545   0.150
   34   1HD2  ASN   6          1HD2      ASN   6  -8.678   5.146   2.047
   35   2HD2  ASN   6          2HD2      ASN   6  -7.067   4.707   1.769
   36    H    TRP   7           H        TRP   7 -10.519   4.750   2.440
   37    HA   TRP   7           HA       TRP   7  -8.806   2.586   3.148
   38   1HB   TRP   7          2HB       TRP   7 -10.690   4.418   4.527
   39   2HB   TRP   7          1HB       TRP   7 -10.490   2.879   5.346
   40    HD1  TRP   7           HD       TRP   7  -8.218   5.539   3.725
   41    HE1  TRP   7           1HE      TRP   7  -6.146   5.863   5.205
   42    HE3  TRP   7           3HE      TRP   7  -9.179   2.088   7.362
   43    HZ2  TRP   7           2HZ      TRP   7  -5.033   4.822   7.614
   44    HZ3  TRP   7           3HZ      TRP   7  -7.585   1.773   9.238
   45    HH2  TRP   7           HH       TRP   7  -5.509   3.133   9.364
   46    H    GLU   8           H        GLU   8 -12.313   2.830   2.680
   47    HA   GLU   8           HA       GLU   8 -13.069   0.284   3.658
   48   1HB   GLU   8          2HB       GLU   8 -14.625   2.135   2.926
   49   2HB   GLU   8          1HB       GLU   8 -14.299   1.652   1.266
   50   1HG   GLU   8          2HG       GLU   8 -15.078  -0.645   1.795
   51   2HG   GLU   8          1HG       GLU   8 -15.466  -0.112   3.432
   52    H    THR   9           H        THR   9 -11.942   1.234   0.404
   53    HA   THR   9           HA       THR   9 -12.232  -1.311  -0.826
   54    HB   THR   9           HB       THR   9  -9.852   0.482  -1.401
   55    HG1  THR   9           1HG      THR   9 -12.588   0.947  -1.974
   56   1HG2  THR   9          1HG2      THR   9 -10.364  -0.183  -3.720
   57   2HG2  THR   9          2HG2      THR   9 -11.771  -1.087  -3.158
   58   3HG2  THR   9          3HG2      THR   9 -10.149  -1.604  -2.697
   59    H    LEU  10           H        LEU  10  -9.399   0.132   0.759
   60    HA   LEU  10           HA       LEU  10  -7.819  -2.257   0.749
   61   1HB   LEU  10          2HB       LEU  10  -7.771   0.405   2.123
   62   2HB   LEU  10          1HB       LEU  10  -6.776  -0.870   2.817
   63    HG   LEU  10           HG       LEU  10  -5.858  -1.186   0.410
   64   1HD1  LEU  10          1HD1      LEU  10  -6.962   1.625   0.163
   65   2HD1  LEU  10          2HD1      LEU  10  -7.641   0.219  -0.650
   66   3HD1  LEU  10          3HD1      LEU  10  -6.011   0.757  -1.042
   67   1HD2  LEU  10          1HD2      LEU  10  -5.334   1.242   2.128
   68   2HD2  LEU  10          2HD2      LEU  10  -4.329   0.832   0.738
   69   3HD2  LEU  10          3HD2      LEU  10  -4.442  -0.279   2.103
   70    H    ASN  11           H        ASN  11 -10.328  -1.055   2.862
   71    HA   ASN  11           HA       ASN  11  -9.735  -2.593   5.177
   72   1HB   ASN  11          2HB       ASN  11 -11.518  -0.789   4.908
   73   2HB   ASN  11          1HB       ASN  11 -12.515  -2.038   4.140
   74   1HD2  ASN  11          1HD2      ASN  11 -10.592  -3.649   6.337
   75   2HD2  ASN  11          2HD2      ASN  11 -11.624  -3.646   7.682
   76    H    ASP  12           H        ASP  12 -12.243  -3.314   2.777
   77    HA   ASP  12           HA       ASP  12 -12.762  -5.966   3.551
   78   1HB   ASP  12          2HB       ASP  12 -12.878  -4.638   0.852
   79   2HB   ASP  12          1HB       ASP  12 -13.491  -6.266   1.138
   80    H    ASN  13           H        ASN  13 -10.009  -4.662   1.889
   81    HA   ASN  13           HA       ASN  13  -9.326  -7.103   0.527
   82   1HB   ASN  13          2HB       ASN  13  -7.819  -4.616   1.248
   83   2HB   ASN  13          1HB       ASN  13  -6.897  -6.027   0.762
   84   1HD2  ASN  13          1HD2      ASN  13  -9.354  -3.704  -0.350
   85   2HD2  ASN  13          2HD2      ASN  13  -9.177  -4.050  -2.001
   86    H    LEU  14           H        LEU  14  -7.969  -5.717   3.558
   87    HA   LEU  14           HA       LEU  14  -6.508  -8.014   4.343
   88   1HB   LEU  14          2HB       LEU  14  -7.862  -5.828   5.932
   89   2HB   LEU  14          1HB       LEU  14  -6.956  -7.116   6.723
   90    HG   LEU  14           HG       LEU  14  -5.615  -5.031   6.341
   91   1HD1  LEU  14          1HD1      LEU  14  -4.687  -7.480   6.280
   92   2HD1  LEU  14          2HD1      LEU  14  -3.655  -6.141   5.794
   93   3HD1  LEU  14          3HD1      LEU  14  -4.418  -7.140   4.568
   94   1HD2  LEU  14          1HD2      LEU  14  -5.027  -4.309   4.147
   95   2HD2  LEU  14          2HD2      LEU  14  -6.767  -4.520   4.150
   96   3HD2  LEU  14          3HD2      LEU  14  -5.742  -5.737   3.403
   97    H    LYS  15           H        LYS  15  -9.888  -7.211   4.593
   98    HA   LYS  15           HA       LYS  15 -10.719  -9.119   6.509
   99   1HB   LYS  15          2HB       LYS  15 -12.072  -7.230   5.524
  100   2HB   LYS  15          1HB       LYS  15 -12.257  -8.196   4.066
  101   1HG   LYS  15          2HG       LYS  15 -13.182 -10.032   5.637
  102   2HG   LYS  15          1HG       LYS  15 -13.335  -8.742   6.827
  103   1HD   LYS  15          2HD       LYS  15 -15.427  -8.577   5.825
  104   2HD   LYS  15          1HD       LYS  15 -14.528  -7.474   4.782
  105   1HE   LYS  15          2HE       LYS  15 -15.775  -8.969   3.356
  106   2HE   LYS  15          1HE       LYS  15 -14.078  -9.437   3.251
  107   1HZ   LYS  15          1HZ       LYS  15 -14.422 -11.275   4.611
  108   2HZ   LYS  15          2HZ       LYS  15 -15.793 -11.265   3.607
  109   3HZ   LYS  15          3HZ       LYS  15 -15.901 -10.695   5.203
  110    H    VAL  16           H        VAL  16 -10.570  -9.466   2.930
  111    HA   VAL  16           HA       VAL  16 -11.480 -12.174   3.032
  112    HB   VAL  16           HB       VAL  16 -10.320 -10.342   0.962
  113   1HG1  VAL  16          1HG1      VAL  16 -10.472 -13.354   0.713
  114   2HG1  VAL  16          2HG1      VAL  16  -9.072 -12.323   0.435
  115   3HG1  VAL  16          3HG1      VAL  16 -10.436 -12.277  -0.682
  116   1HG2  VAL  16          1HG2      VAL  16 -12.754 -12.147   1.072
  117   2HG2  VAL  16          2HG2      VAL  16 -12.388 -11.003  -0.220
  118   3HG2  VAL  16          3HG2      VAL  16 -12.738 -10.416   1.407
  119    H    ILE  17           H        ILE  17  -8.104 -10.959   2.428
  120    HA   ILE  17           HA       ILE  17  -6.905 -13.499   2.360
  121    HB   ILE  17           HB       ILE  17  -5.210 -11.737   3.981
  122   1HG1  ILE  17          2HG1      ILE  17  -6.460 -10.522   1.493
  123   2HG1  ILE  17          1HG1      ILE  17  -6.686  -9.958   3.144
  124   1HG2  ILE  17          1HG2      ILE  17  -4.549 -13.523   2.282
  125   2HG2  ILE  17          2HG2      ILE  17  -3.681 -11.992   2.173
  126   3HG2  ILE  17          3HG2      ILE  17  -4.973 -12.355   1.029
  127   1HD1  ILE  17          1HD1      ILE  17  -3.940  -9.982   2.970
  128   2HD1  ILE  17          2HD1      ILE  17  -4.945  -8.569   2.663
  129   3HD1  ILE  17          3HD1      ILE  17  -4.400  -9.566   1.317
  130    H    GLU  18           H        GLU  18  -7.719 -11.543   5.198
  131    HA   GLU  18           HA       GLU  18  -6.793 -13.366   7.181
  132   1HB   GLU  18          2HB       GLU  18  -9.147 -11.446   7.239
  133   2HB   GLU  18          1HB       GLU  18  -8.473 -12.238   8.658
  134   1HG   GLU  18          2HG       GLU  18  -6.574 -10.690   6.913
  135   2HG   GLU  18          1HG       GLU  18  -7.695  -9.767   7.907
  136    H    LYS  19           H        LYS  19  -9.632 -13.318   5.124
  137    HA   LYS  19           HA       LYS  19 -10.589 -15.871   6.383
  138   1HB   LYS  19          2HB       LYS  19 -12.202 -13.566   5.256
  139   2HB   LYS  19          1HB       LYS  19 -12.892 -15.093   5.804
  140   1HG   LYS  19          2HG       LYS  19 -12.533 -14.615   8.048
  141   2HG   LYS  19          1HG       LYS  19 -11.101 -13.647   7.727
  142   1HD   LYS  19          2HD       LYS  19 -13.043 -12.303   8.547
  143   2HD   LYS  19          1HD       LYS  19 -12.450 -11.775   6.973
  144   1HE   LYS  19          2HE       LYS  19 -15.013 -12.048   7.278
  145   2HE   LYS  19          1HE       LYS  19 -14.290 -12.752   5.836
  146   1HZ   LYS  19          1HZ       LYS  19 -14.463 -14.872   6.673
  147   2HZ   LYS  19          2HZ       LYS  19 -15.875 -14.159   7.289
  148   3HZ   LYS  19          3HZ       LYS  19 -14.516 -14.358   8.289
  149    H    ALA  20           H        ALA  20  -8.793 -15.543   4.056
  150    HA   ALA  20           HA       ALA  20 -10.231 -15.808   1.597
  151   1HB   ALA  20          1HB       ALA  20  -8.047 -16.998   0.859
  152   2HB   ALA  20          2HB       ALA  20  -7.460 -16.593   2.474
  153   3HB   ALA  20          3HB       ALA  20  -7.944 -15.313   1.363
  154    H    ASP  21           H        ASP  21  -9.667 -18.049   4.161
  155    HA   ASP  21           HA       ASP  21 -10.442 -20.235   4.473
  156   1HB   ASP  21          2HB       ASP  21 -11.730 -20.178   1.745
  157   2HB   ASP  21          1HB       ASP  21 -12.273 -20.990   3.213
  158    H    ASN  22           H        ASN  22  -9.029 -19.355   1.369
  159    HA   ASN  22           HA       ASN  22  -7.264 -21.711   1.535
  160   1HB   ASN  22          2HB       ASN  22  -8.784 -21.293  -1.040
  161   2HB   ASN  22          1HB       ASN  22  -7.864 -22.706  -0.520
  162   1HD2  ASN  22          1HD2      ASN  22 -10.937 -21.024  -0.201
  163   2HD2  ASN  22          2HD2      ASN  22 -11.737 -22.253   0.655
  164    H    ALA  23           H        ALA  23  -5.360 -21.457   0.251
  165    HA   ALA  23           HA       ALA  23  -4.367 -18.845  -0.071
  166   1HB   ALA  23          1HB       ALA  23  -2.496 -20.096  -0.441
  167   2HB   ALA  23          2HB       ALA  23  -3.096 -20.502  -2.049
  168   3HB   ALA  23          3HB       ALA  23  -3.492 -21.531  -0.674
  169    H    ALA  24           H        ALA  24  -6.690 -20.480  -1.952
  170    HA   ALA  24           HA       ALA  24  -6.177 -19.288  -4.515
  171   1HB   ALA  24          1HB       ALA  24  -7.726 -21.261  -3.988
  172   2HB   ALA  24          2HB       ALA  24  -8.343 -20.071  -5.134
  173   3HB   ALA  24          3HB       ALA  24  -8.907 -20.061  -3.462
  174    H    GLN  25           H        GLN  25  -8.741 -18.421  -2.119
  175    HA   GLN  25           HA       GLN  25  -9.324 -15.946  -3.455
  176   1HB   GLN  25          2HB       GLN  25  -9.855 -16.832  -0.610
  177   2HB   GLN  25          1HB       GLN  25 -10.456 -15.333  -1.303
  178   1HG   GLN  25          2HG       GLN  25 -12.269 -16.512  -2.043
  179   2HG   GLN  25          1HG       GLN  25 -11.199 -17.291  -3.201
  180   1HE2  GLN  25          1HE2      GLN  25 -10.637 -19.504  -2.832
  181   2HE2  GLN  25          2HE2      GLN  25 -11.247 -20.407  -1.532
  182    H    VAL  26           H        VAL  26  -6.647 -16.822  -1.556
  183    HA   VAL  26           HA       VAL  26  -6.181 -14.278  -0.276
  184    HB   VAL  26           HB       VAL  26  -4.465 -16.674  -0.945
  185   1HG1  VAL  26          1HG1      VAL  26  -2.674 -15.541   0.448
  186   2HG1  VAL  26          2HG1      VAL  26  -3.575 -14.044   0.228
  187   3HG1  VAL  26          3HG1      VAL  26  -2.912 -14.884  -1.168
  188   1HG2  VAL  26          1HG2      VAL  26  -4.237 -16.581   1.643
  189   2HG2  VAL  26          2HG2      VAL  26  -5.760 -17.127   0.958
  190   3HG2  VAL  26          3HG2      VAL  26  -5.615 -15.484   1.576
  191    H    LYS  27           H        LYS  27  -4.627 -15.827  -3.095
  192    HA   LYS  27           HA       LYS  27  -3.219 -13.538  -3.958
  193   1HB   LYS  27          2HB       LYS  27  -3.357 -14.683  -6.274
  194   2HB   LYS  27          1HB       LYS  27  -2.562 -15.562  -4.972
  195   1HG   LYS  27          2HG       LYS  27  -4.709 -16.769  -4.531
  196   2HG   LYS  27          1HG       LYS  27  -5.413 -15.950  -5.917
  197   1HD   LYS  27          2HD       LYS  27  -2.924 -17.669  -6.052
  198   2HD   LYS  27          1HD       LYS  27  -4.545 -18.260  -6.407
  199   1HE   LYS  27          2HE       LYS  27  -4.650 -16.258  -8.087
  200   2HE   LYS  27          1HE       LYS  27  -2.894 -16.256  -7.932
  201   1HZ   LYS  27          1HZ       LYS  27  -3.513 -17.649  -9.754
  202   2HZ   LYS  27          2HZ       LYS  27  -4.599 -18.528  -8.788
  203   3HZ   LYS  27          3HZ       LYS  27  -2.928 -18.638  -8.506
  204    H    ASP  28           H        ASP  28  -6.581 -14.450  -4.449
  205    HA   ASP  28           HA       ASP  28  -7.178 -12.599  -6.559
  206   1HB   ASP  28          2HB       ASP  28  -8.558 -14.540  -5.150
  207   2HB   ASP  28          1HB       ASP  28  -9.323 -13.079  -4.566
  208    H    ALA  29           H        ALA  29  -7.892 -12.300  -3.074
  209    HA   ALA  29           HA       ALA  29  -8.689  -9.628  -3.061
  210   1HB   ALA  29          1HB       ALA  29  -8.947 -10.485  -0.954
  211   2HB   ALA  29          2HB       ALA  29  -7.372  -9.748  -0.672
  212   3HB   ALA  29          3HB       ALA  29  -7.487 -11.465  -1.065
  213    H    LEU  30           H        LEU  30  -5.323 -10.844  -2.867
  214    HA   LEU  30           HA       LEU  30  -4.136  -8.290  -2.522
  215   1HB   LEU  30          2HB       LEU  30  -3.108 -10.874  -3.684
  216   2HB   LEU  30          1HB       LEU  30  -2.074  -9.439  -3.593
  217    HG   LEU  30           HG       LEU  30  -3.589 -10.310  -1.120
  218   1HD1  LEU  30          1HD1      LEU  30  -2.405 -12.341  -2.039
  219   2HD1  LEU  30          2HD1      LEU  30  -1.840 -11.819  -0.454
  220   3HD1  LEU  30          3HD1      LEU  30  -0.898 -11.443  -1.890
  221   1HD2  LEU  30          1HD2      LEU  30  -1.556  -9.355  -0.031
  222   2HD2  LEU  30          2HD2      LEU  30  -2.368  -8.187  -1.069
  223   3HD2  LEU  30          3HD2      LEU  30  -0.900  -8.987  -1.627
  224    H    THR  31           H        THR  31  -5.112  -9.980  -5.487
  225    HA   THR  31           HA       THR  31  -3.894  -8.138  -7.300
  226    HB   THR  31           HB       THR  31  -6.284  -9.982  -7.502
  227    HG1  THR  31           1HG      THR  31  -4.312 -10.994  -7.480
  228   1HG2  THR  31          1HG2      THR  31  -5.114  -8.115  -9.564
  229   2HG2  THR  31          2HG2      THR  31  -6.795  -8.247  -9.054
  230   3HG2  THR  31          3HG2      THR  31  -6.059  -9.538 -10.001
  231    H    LYS  32           H        LYS  32  -6.808  -8.037  -5.367
  232    HA   LYS  32           HA       LYS  32  -7.967  -5.761  -6.760
  233   1HB   LYS  32          2HB       LYS  32  -8.600  -6.339  -3.870
  234   2HB   LYS  32          1HB       LYS  32  -9.674  -5.786  -5.152
  235   1HG   LYS  32          2HG       LYS  32  -8.458  -8.548  -5.051
  236   2HG   LYS  32          1HG       LYS  32 -10.041  -8.178  -4.419
  237   1HD   LYS  32          2HD       LYS  32 -10.998  -8.133  -6.498
  238   2HD   LYS  32          1HD       LYS  32  -9.658  -7.242  -7.201
  239   1HE   LYS  32          2HE       LYS  32  -8.463  -9.183  -7.721
  240   2HE   LYS  32          1HE       LYS  32  -9.279 -10.156  -6.496
  241   1HZ   LYS  32          1HZ       LYS  32 -10.972  -9.024  -8.568
  242   2HZ   LYS  32          2HZ       LYS  32 -11.006 -10.564  -7.852
  243   3HZ   LYS  32          3HZ       LYS  32  -9.887 -10.221  -9.084
  244    H    MET  33           H        MET  33  -5.888  -6.281  -3.954
  245    HA   MET  33           HA       MET  33  -5.747  -3.588  -3.055
  246   1HB   MET  33          2HB       MET  33  -4.050  -6.019  -2.863
  247   2HB   MET  33          1HB       MET  33  -3.211  -4.503  -2.563
  248   1HG   MET  33          2HG       MET  33  -5.194  -4.012  -0.926
  249   2HG   MET  33          1HG       MET  33  -5.469  -5.749  -1.017
  250   1HE   MET  33          1HE       MET  33  -4.295  -7.450   0.016
  251   2HE   MET  33          2HE       MET  33  -4.751  -6.575   1.474
  252   3HE   MET  33          3HE       MET  33  -3.132  -7.241   1.330
  253    H    ARG  34           H        ARG  34  -3.897  -5.312  -5.595
  254    HA   ARG  34           HA       ARG  34  -2.044  -3.342  -6.320
  255   1HB   ARG  34          2HB       ARG  34  -3.461  -5.534  -7.650
  256   2HB   ARG  34          1HB       ARG  34  -3.083  -4.253  -8.786
  257   1HG   ARG  34          2HG       ARG  34  -1.232  -5.809  -8.784
  258   2HG   ARG  34          1HG       ARG  34  -0.702  -4.342  -7.967
  259   1HD   ARG  34          2HD       ARG  34  -1.874  -6.571  -6.333
  260   2HD   ARG  34          1HD       ARG  34  -0.210  -6.695  -6.885
  261    HE   ARG  34           HE       ARG  34   0.132  -4.411  -5.773
  262   1HH1  ARG  34          1HH2      ARG  34  -2.197  -6.724  -4.671
  263   2HH1  ARG  34          2HH2      ARG  34  -2.348  -5.980  -3.120
  264   1HH2  ARG  34          1HH1      ARG  34  -0.101  -3.448  -3.785
  265   2HH2  ARG  34          2HH1      ARG  34  -1.203  -4.116  -2.632
  266    H    ALA  35           H        ALA  35  -5.432  -3.628  -7.290
  267    HA   ALA  35           HA       ALA  35  -5.485  -1.165  -8.791
  268   1HB   ALA  35          1HB       ALA  35  -7.890  -2.398  -7.451
  269   2HB   ALA  35          2HB       ALA  35  -7.122  -3.171  -8.840
  270   3HB   ALA  35          3HB       ALA  35  -7.803  -1.549  -8.997
  271    H    ALA  36           H        ALA  36  -6.799  -1.976  -5.560
  272    HA   ALA  36           HA       ALA  36  -7.426   0.737  -4.857
  273   1HB   ALA  36          1HB       ALA  36  -8.039  -1.667  -3.794
  274   2HB   ALA  36          2HB       ALA  36  -8.161  -0.171  -2.874
  275   3HB   ALA  36          3HB       ALA  36  -6.746  -1.208  -2.690
  276    H    ALA  37           H        ALA  37  -4.436  -1.009  -4.947
  277    HA   ALA  37           HA       ALA  37  -2.995   0.387  -2.893
  278   1HB   ALA  37          1HB       ALA  37  -0.997  -0.299  -4.521
  279   2HB   ALA  37          2HB       ALA  37  -2.261  -1.241  -5.299
  280   3HB   ALA  37          3HB       ALA  37  -1.875  -1.523  -3.606
  281    H    LEU  38           H        LEU  38  -2.435   0.778  -6.396
  282    HA   LEU  38           HA       LEU  38  -1.215   3.338  -6.039
  283   1HB   LEU  38          2HB       LEU  38  -2.552   2.306  -8.549
  284   2HB   LEU  38          1HB       LEU  38  -1.349   3.594  -8.435
  285    HG   LEU  38           HG       LEU  38  -0.640   0.883  -7.311
  286   1HD1  LEU  38          1HD1      LEU  38  -0.549   1.598 -10.260
  287   2HD1  LEU  38          2HD1      LEU  38  -1.571   0.359  -9.528
  288   3HD1  LEU  38          3HD1      LEU  38   0.181   0.167  -9.531
  289   1HD2  LEU  38          1HD2      LEU  38   0.793   3.021  -7.197
  290   2HD2  LEU  38          2HD2      LEU  38   1.035   2.812  -8.929
  291   3HD2  LEU  38          3HD2      LEU  38   1.582   1.566  -7.806
  292    H    ASP  39           H        ASP  39  -4.520   2.365  -6.137
  293    HA   ASP  39           HA       ASP  39  -5.664   4.838  -7.058
  294   1HB   ASP  39          2HB       ASP  39  -6.918   2.633  -6.698
  295   2HB   ASP  39          1HB       ASP  39  -6.881   3.002  -4.973
  296    H    ALA  40           H        ALA  40  -4.638   3.582  -3.910
  297    HA   ALA  40           HA       ALA  40  -5.429   5.840  -2.360
  298   1HB   ALA  40          1HB       ALA  40  -3.205   3.818  -2.019
  299   2HB   ALA  40          2HB       ALA  40  -4.741   3.903  -1.155
  300   3HB   ALA  40          3HB       ALA  40  -3.490   5.108  -0.851
  301    H    GLN  41           H        GLN  41  -2.698   5.218  -4.526
  302    HA   GLN  41           HA       GLN  41  -0.939   7.326  -3.870
  303   1HB   GLN  41          2HB       GLN  41  -0.895   5.615  -5.932
  304   2HB   GLN  41          1HB       GLN  41  -1.713   6.927  -6.771
  305   1HG   GLN  41          2HG       GLN  41   1.026   7.031  -5.457
  306   2HG   GLN  41          1HG       GLN  41   0.639   7.212  -7.166
  307   1HE2  GLN  41          1HE2      GLN  41  -0.468   9.224  -7.837
  308   2HE2  GLN  41          2HE2      GLN  41  -0.405  10.606  -6.852
  309    H    LYS  42           H        LYS  42  -3.982   7.313  -5.603
  310    HA   LYS  42           HA       LYS  42  -4.077  10.293  -5.663
  311   1HB   LYS  42          2HB       LYS  42  -6.287   8.598  -6.799
  312   2HB   LYS  42          1HB       LYS  42  -5.602  10.100  -7.409
  313   1HG   LYS  42          2HG       LYS  42  -4.259   7.386  -7.528
  314   2HG   LYS  42          1HG       LYS  42  -5.027   8.221  -8.876
  315   1HD   LYS  42          2HD       LYS  42  -3.444  10.151  -8.473
  316   2HD   LYS  42          1HD       LYS  42  -2.586   9.115  -7.338
  317   1HE   LYS  42          2HE       LYS  42  -2.177   7.467  -9.100
  318   2HE   LYS  42          1HE       LYS  42  -3.100   8.446 -10.239
  319   1HZ   LYS  42          1HZ       LYS  42  -0.953   9.816  -8.853
  320   2HZ   LYS  42          2HZ       LYS  42  -1.431   9.908 -10.481
  321   3HZ   LYS  42          3HZ       LYS  42  -0.461   8.618  -9.949
  322    H    ALA  43           H        ALA  43  -4.808  11.008  -3.686
  323    HA   ALA  43           HA       ALA  43  -6.412  11.412  -2.009
  324   1HB   ALA  43          1HB       ALA  43  -8.027  10.385  -3.863
  325   2HB   ALA  43          2HB       ALA  43  -8.574  10.608  -2.203
  326   3HB   ALA  43          3HB       ALA  43  -8.059   9.017  -2.751
  327    H    THR  44           H        THR  44  -4.472  10.635  -0.890
  328    HA   THR  44           HA       THR  44  -4.848   7.994   0.492
  329    HB   THR  44           HB       THR  44  -2.743   7.759  -0.473
  330    HG1  THR  44           1HG      THR  44  -1.221   9.044   1.105
  331   1HG2  THR  44          1HG2      THR  44  -2.661  10.765  -0.417
  332   2HG2  THR  44          2HG2      THR  44  -2.600   9.682  -1.806
  333   3HG2  THR  44          3HG2      THR  44  -1.207   9.827  -0.739
  334    HA   PRO  45           HA       PRO  45  -5.666   9.789   4.434
  335   1HB   PRO  45          2HB       PRO  45  -2.819   9.147   5.217
  336   2HB   PRO  45          1HB       PRO  45  -4.307   9.009   6.173
  337   1HG   PRO  45          2HG       PRO  45  -3.290   6.881   4.970
  338   2HG   PRO  45          1HG       PRO  45  -5.038   7.152   5.014
  339   1HD   PRO  45          2HD       PRO  45  -3.181   7.378   2.713
  340   2HD   PRO  45          1HD       PRO  45  -4.922   7.051   2.705
  341    HA   PRO  46           HA       PRO  46  -2.860  13.549   4.325
  342   1HB   PRO  46          2HB       PRO  46  -0.375  13.374   3.096
  343   2HB   PRO  46          1HB       PRO  46  -0.685  12.914   4.783
  344   1HG   PRO  46          2HG       PRO  46   0.036  11.181   2.625
  345   2HG   PRO  46          1HG       PRO  46  -0.378  10.723   4.287
  346   1HD   PRO  46          2HD       PRO  46  -2.125  10.783   1.859
  347   2HD   PRO  46          1HD       PRO  46  -2.151   9.670   3.247
  348    H    LYS  47           H        LYS  47  -3.948  12.086   1.692
  349    HA   LYS  47           HA       LYS  47  -4.264  12.598  -0.558
  350   1HB   LYS  47          2HB       LYS  47  -4.571  15.505  -0.094
  351   2HB   LYS  47          1HB       LYS  47  -5.730  14.340  -0.707
  352   1HG   LYS  47          2HG       LYS  47  -6.761  14.861   1.285
  353   2HG   LYS  47          1HG       LYS  47  -5.775  13.515   1.825
  354   1HD   LYS  47          2HD       LYS  47  -4.675  14.863   3.309
  355   2HD   LYS  47          1HD       LYS  47  -4.204  15.978   2.031
  356   1HE   LYS  47          2HE       LYS  47  -5.564  17.061   3.820
  357   2HE   LYS  47          1HE       LYS  47  -6.327  17.164   2.233
  358   1HZ   LYS  47          1HZ       LYS  47  -7.023  14.788   3.693
  359   2HZ   LYS  47          2HZ       LYS  47  -8.024  15.903   2.890
  360   3HZ   LYS  47          3HZ       LYS  47  -7.500  16.212   4.477
  361    H    LEU  48           H        LEU  48  -1.465  12.818   0.437
  362    HA   LEU  48           HA       LEU  48   0.590  13.788  -0.135
  363   1HB   LEU  48          2HB       LEU  48   0.051  12.218  -2.013
  364   2HB   LEU  48          1HB       LEU  48  -0.682  13.541  -2.891
  365    HG   LEU  48           HG       LEU  48   1.707  12.904  -3.552
  366   1HD1  LEU  48          1HD1      LEU  48   1.633  15.792  -2.696
  367   2HD1  LEU  48          2HD1      LEU  48   0.526  15.200  -3.937
  368   3HD1  LEU  48          3HD1      LEU  48   2.263  15.078  -4.175
  369   1HD2  LEU  48          1HD2      LEU  48   2.559  14.496  -1.138
  370   2HD2  LEU  48          2HD2      LEU  48   3.531  13.469  -2.190
  371   3HD2  LEU  48          3HD2      LEU  48   2.390  12.742  -1.064
  372    H    GLU  49           H        GLU  49  -1.120  15.352  -2.821
  373    HA   GLU  49           HA       GLU  49  -0.020  17.921  -2.065
  374   1HB   GLU  49          2HB       GLU  49  -1.756  18.719  -3.845
  375   2HB   GLU  49          1HB       GLU  49  -0.384  17.745  -4.373
  376   1HG   GLU  49          2HG       GLU  49  -1.682  15.796  -4.598
  377   2HG   GLU  49          1HG       GLU  49  -2.966  16.419  -3.565
  378    H    ASP  50           H        ASP  50  -0.739  18.770  -0.174
  379    HA   ASP  50           HA       ASP  50  -3.601  18.524   0.581
  380   1HB   ASP  50          2HB       ASP  50  -2.891  19.555   2.698
  381   2HB   ASP  50          1HB       ASP  50  -1.830  18.201   2.303
  382    H    LYS  51           H        LYS  51  -1.711  20.492  -1.286
  383    HA   LYS  51           HA       LYS  51  -3.736  22.554  -1.483
  384   1HB   LYS  51          2HB       LYS  51  -2.260  24.447  -0.831
  385   2HB   LYS  51          1HB       LYS  51  -2.604  23.376   0.527
  386   1HG   LYS  51          2HG       LYS  51  -0.332  22.193  -0.398
  387   2HG   LYS  51          1HG       LYS  51  -0.026  23.853  -0.913
  388   1HD   LYS  51          2HD       LYS  51  -0.591  24.571   1.466
  389   2HD   LYS  51          1HD       LYS  51  -0.537  22.862   1.900
  390   1HE   LYS  51          2HE       LYS  51   1.649  23.780   2.342
  391   2HE   LYS  51          1HE       LYS  51   1.784  22.775   0.898
  392   1HZ   LYS  51          1HZ       LYS  51   2.824  24.678   0.218
  393   2HZ   LYS  51          2HZ       LYS  51   1.829  25.700   1.141
  394   3HZ   LYS  51          3HZ       LYS  51   1.242  25.006  -0.294
  395    H    SER  52           H        SER  52  -0.183  22.475  -2.016
  396    HA   SER  52           HA       SER  52  -0.293  21.788  -4.731
  397   1HB   SER  52          2HB       SER  52  -0.568  24.694  -4.086
  398   2HB   SER  52          1HB       SER  52   0.370  24.242  -5.507
  399    HG   SER  52           HG       SER  52  -2.207  23.195  -4.992
  400    HA   PRO  53           HA       PRO  53   3.799  22.052  -2.314
  401   1HB   PRO  53          2HB       PRO  53   3.943  19.307  -3.529
  402   2HB   PRO  53          1HB       PRO  53   4.433  19.847  -1.916
  403   1HG   PRO  53          2HG       PRO  53   2.206  18.463  -2.263
  404   2HG   PRO  53          1HG       PRO  53   2.270  19.800  -1.099
  405   1HD   PRO  53          2HD       PRO  53   0.998  19.733  -3.820
  406   2HD   PRO  53          1HD       PRO  53   0.464  20.564  -2.344
  407    H    ASP  54           H        ASP  54   3.821  19.967  -5.190
  408    HA   ASP  54           HA       ASP  54   5.307  22.046  -6.723
  409   1HB   ASP  54          2HB       ASP  54   6.238  19.162  -6.611
  410   2HB   ASP  54          1HB       ASP  54   7.110  20.576  -7.220
  411    H    SER  55           H        SER  55   4.285  18.652  -6.955
  412    HA   SER  55           HA       SER  55   2.411  17.889  -8.227
  413   1HB   SER  55          2HB       SER  55   1.562  18.914 -10.163
  414   2HB   SER  55          1HB       SER  55   1.886  20.230  -9.050
  415    HG   SER  55           HG       SER  55   3.462  19.353 -11.246
  416    HA   PRO  56           HA       PRO  56   5.522  16.481 -11.615
  417   1HB   PRO  56          2HB       PRO  56   8.144  17.421 -10.562
  418   2HB   PRO  56          1HB       PRO  56   7.529  17.463 -12.227
  419   1HG   PRO  56          2HG       PRO  56   7.793  19.687 -10.760
  420   2HG   PRO  56          1HG       PRO  56   6.466  19.482 -11.920
  421   1HD   PRO  56          2HD       PRO  56   6.413  19.190  -8.929
  422   2HD   PRO  56          1HD       PRO  56   5.241  19.949 -10.009
  423    H    GLU  57           H        GLU  57   6.614  16.996  -8.293
  424    HA   GLU  57           HA       GLU  57   7.966  14.547  -7.854
  425   1HB   GLU  57          2HB       GLU  57   7.773  16.602  -6.296
  426   2HB   GLU  57          1HB       GLU  57   6.233  15.915  -5.781
  427   1HG   GLU  57          2HG       GLU  57   7.266  13.964  -4.900
  428   2HG   GLU  57          1HG       GLU  57   8.787  14.289  -5.731
  429    H    MET  58           H        MET  58   4.654  15.353  -6.831
  430    HA   MET  58           HA       MET  58   3.104  13.601  -6.030
  431   1HB   MET  58          2HB       MET  58   2.129  14.984  -7.708
  432   2HB   MET  58          1HB       MET  58   3.003  14.158  -8.993
  433   1HG   MET  58          2HG       MET  58   1.698  12.155  -8.703
  434   2HG   MET  58          1HG       MET  58   0.996  12.763  -7.203
  435   1HE   MET  58          1HE       MET  58  -1.319  12.628 -10.713
  436   2HE   MET  58          2HE       MET  58  -0.906  11.621  -9.327
  437   3HE   MET  58          3HE       MET  58   0.302  11.934 -10.571
  438    H    LYS  59           H        LYS  59   3.994  12.351  -9.260
  439    HA   LYS  59           HA       LYS  59   3.488   9.664  -8.650
  440   1HB   LYS  59          2HB       LYS  59   4.268  10.923 -10.918
  441   2HB   LYS  59          1HB       LYS  59   5.800  10.171 -10.488
  442   1HG   LYS  59          2HG       LYS  59   4.853   8.433 -11.719
  443   2HG   LYS  59          1HG       LYS  59   4.246   8.009 -10.113
  444   1HD   LYS  59          2HD       LYS  59   2.139   9.185 -10.589
  445   2HD   LYS  59          1HD       LYS  59   2.745   9.658 -12.176
  446   1HE   LYS  59          2HE       LYS  59   2.882   7.340 -12.877
  447   2HE   LYS  59          1HE       LYS  59   2.461   6.788 -11.255
  448   1HZ   LYS  59          1HZ       LYS  59   0.346   6.898 -11.851
  449   2HZ   LYS  59          2HZ       LYS  59   0.750   7.559 -13.362
  450   3HZ   LYS  59          3HZ       LYS  59   0.493   8.577 -12.027
  451    H    ASP  60           H        ASP  60   6.495  11.505  -8.155
  452    HA   ASP  60           HA       ASP  60   8.159   9.360  -7.338
  453   1HB   ASP  60          2HB       ASP  60   8.679  11.938  -7.533
  454   2HB   ASP  60          1HB       ASP  60   8.152  12.000  -5.853
  455    H    PHE  61           H        PHE  61   5.559  11.124  -5.735
  456    HA   PHE  61           HA       PHE  61   5.877  10.019  -3.124
  457   1HB   PHE  61          2HB       PHE  61   4.131  11.796  -3.987
  458   2HB   PHE  61          1HB       PHE  61   3.122  10.392  -4.329
  459    HD1  PHE  61           1HD      PHE  61   1.658   9.726  -2.627
  460    HD2  PHE  61           2HD      PHE  61   5.365  11.637  -1.569
  461    HE1  PHE  61           1HE      PHE  61   1.051   9.598  -0.228
  462    HE2  PHE  61           2HE      PHE  61   4.751  11.501   0.826
  463    HZ   PHE  61           HZ       PHE  61   2.593  10.482   1.498
  464    H    ARG  62           H        ARG  62   4.487   8.750  -6.112
  465    HA   ARG  62           HA       ARG  62   3.400   6.291  -5.187
  466   1HB   ARG  62          2HB       ARG  62   3.559   7.282  -7.627
  467   2HB   ARG  62          1HB       ARG  62   5.101   6.432  -7.680
  468   1HG   ARG  62          2HG       ARG  62   3.670   4.378  -6.791
  469   2HG   ARG  62          1HG       ARG  62   2.323   5.310  -7.451
  470   1HD   ARG  62          2HD       ARG  62   3.128   5.174  -9.651
  471   2HD   ARG  62          1HD       ARG  62   4.765   4.773  -9.141
  472    HE   ARG  62           HE       ARG  62   2.832   2.757  -8.340
  473   1HH1  ARG  62          1HH2      ARG  62   4.802   4.011 -10.874
  474   2HH1  ARG  62          2HH2      ARG  62   4.968   2.487 -11.681
  475   1HH2  ARG  62          1HH1      ARG  62   3.040   0.758  -9.375
  476   2HH2  ARG  62          2HH1      ARG  62   3.974   0.644 -10.829
  477    H    HIS  63           H        HIS  63   6.745   7.333  -5.744
  478    HA   HIS  63           HA       HIS  63   8.063   4.858  -5.494
  479   1HB   HIS  63          2HB       HIS  63   9.043   7.269  -5.827
  480   2HB   HIS  63          1HB       HIS  63   9.106   7.313  -4.067
  481    HD1  HIS  63           1HD      HIS  63   9.810   4.309  -6.289
  482    HD2  HIS  63           2HD      HIS  63  11.829   6.835  -3.657
  483    HE1  HIS  63           1HE      HIS  63  12.128   3.333  -5.995
  484    H    GLY  64           H        GLY  64   6.564   6.910  -3.054
  485   1HA   GLY  64          2HA       GLY  64   7.520   5.396  -0.766
  486   2HA   GLY  64          1HA       GLY  64   6.146   6.506  -0.756
  487    H    PHE  65           H        PHE  65   4.449   5.403  -2.587
  488    HA   PHE  65           HA       PHE  65   3.311   3.126  -1.168
  489   1HB   PHE  65          2HB       PHE  65   2.681   4.786  -3.580
  490   2HB   PHE  65          1HB       PHE  65   1.974   3.180  -3.552
  491    HD1  PHE  65           1HD      PHE  65   1.916   6.530  -2.134
  492    HD2  PHE  65           2HD      PHE  65   0.443   2.523  -1.706
  493    HE1  PHE  65           1HE      PHE  65   0.109   7.356  -0.662
  494    HE2  PHE  65           2HE      PHE  65  -1.373   3.346  -0.228
  495    HZ   PHE  65           HZ       PHE  65  -1.545   5.766   0.289
  496    H    ASP  66           H        ASP  66   4.957   3.615  -4.263
  497    HA   ASP  66           HA       ASP  66   4.753   1.136  -5.429
  498   1HB   ASP  66          2HB       ASP  66   6.029   3.154  -6.303
  499   2HB   ASP  66          1HB       ASP  66   7.379   2.627  -5.298
  500    H    ILE  67           H        ILE  67   7.063   2.120  -2.892
  501    HA   ILE  67           HA       ILE  67   8.443  -0.371  -2.671
  502    HB   ILE  67           HB       ILE  67   7.859   1.737  -0.573
  503   1HG1  ILE  67          2HG1      ILE  67   9.189   2.183  -2.894
  504   2HG1  ILE  67          1HG1      ILE  67   9.646   2.957  -1.387
  505   1HG2  ILE  67          1HG2      ILE  67   8.562  -0.238   0.562
  506   2HG2  ILE  67          2HG2      ILE  67   9.994   0.787   0.453
  507   3HG2  ILE  67          3HG2      ILE  67   9.802  -0.582  -0.644
  508   1HD1  ILE  67          1HD1      ILE  67  11.438   1.418  -1.027
  509   2HD1  ILE  67          2HD1      ILE  67  11.535   1.867  -2.730
  510   3HD1  ILE  67          3HD1      ILE  67  10.835   0.316  -2.265
  511    H    LEU  68           H        LEU  68   6.015   0.936  -0.364
  512    HA   LEU  68           HA       LEU  68   5.552  -1.558   0.890
  513   1HB   LEU  68          2HB       LEU  68   3.852  -0.507   2.094
  514   2HB   LEU  68          1HB       LEU  68   4.831   0.862   1.572
  515    HG   LEU  68           HG       LEU  68   3.164   0.837  -0.509
  516   1HD1  LEU  68          1HD1      LEU  68   2.015  -1.254   0.729
  517   2HD1  LEU  68          2HD1      LEU  68   1.062  -0.084  -0.178
  518   3HD1  LEU  68          3HD1      LEU  68   1.163   0.032   1.578
  519   1HD2  LEU  68          1HD2      LEU  68   1.806   2.530   0.667
  520   2HD2  LEU  68          2HD2      LEU  68   3.502   2.709   1.114
  521   3HD2  LEU  68          3HD2      LEU  68   2.378   1.929   2.223
  522    H    VAL  69           H        VAL  69   4.040  -0.170  -2.009
  523    HA   VAL  69           HA       VAL  69   2.042  -2.214  -2.256
  524    HB   VAL  69           HB       VAL  69   3.251  -0.285  -4.240
  525   1HG1  VAL  69          1HG1      VAL  69   1.114  -2.379  -4.590
  526   2HG1  VAL  69          2HG1      VAL  69   2.547  -2.109  -5.580
  527   3HG1  VAL  69          3HG1      VAL  69   1.213  -0.956  -5.626
  528   1HG2  VAL  69          1HG2      VAL  69   0.571  -0.461  -2.834
  529   2HG2  VAL  69          2HG2      VAL  69   1.014   0.769  -4.019
  530   3HG2  VAL  69          3HG2      VAL  69   1.851   0.692  -2.471
  531    H    GLY  70           H        GLY  70   5.432  -2.150  -2.928
  532   1HA   GLY  70          2HA       GLY  70   5.448  -4.241  -4.932
  533   2HA   GLY  70          1HA       GLY  70   6.843  -3.688  -4.012
  534    H    GLN  71           H        GLN  71   6.141  -4.294  -1.408
  535    HA   GLN  71           HA       GLN  71   6.524  -7.157  -1.425
  536   1HB   GLN  71          2HB       GLN  71   6.283  -6.913   1.084
  537   2HB   GLN  71          1HB       GLN  71   7.557  -5.937   0.351
  538   1HG   GLN  71          2HG       GLN  71   6.159  -3.963   0.393
  539   2HG   GLN  71          1HG       GLN  71   4.765  -4.906   0.921
  540   1HE2  GLN  71          1HE2      GLN  71   6.610  -6.549   2.747
  541   2HE2  GLN  71          2HE2      GLN  71   6.878  -5.536   4.083
  542    H    ILE  72           H        ILE  72   3.673  -5.128  -1.114
  543    HA   ILE  72           HA       ILE  72   1.972  -7.061   0.136
  544    HB   ILE  72           HB       ILE  72   1.434  -4.794  -1.807
  545   1HG1  ILE  72          2HG1      ILE  72   0.562  -5.267   1.063
  546   2HG1  ILE  72          1HG1      ILE  72   1.974  -4.317   0.602
  547   1HG2  ILE  72          1HG2      ILE  72  -1.036  -5.260  -1.264
  548   2HG2  ILE  72          2HG2      ILE  72  -0.506  -6.838  -0.701
  549   3HG2  ILE  72          3HG2      ILE  72  -0.268  -6.378  -2.383
  550   1HD1  ILE  72          1HD1      ILE  72  -0.900  -3.750  -0.180
  551   2HD1  ILE  72          2HD1      ILE  72   0.488  -2.837  -0.747
  552   3HD1  ILE  72          3HD1      ILE  72   0.071  -2.822   0.953
  553    H    ASP  73           H        ASP  73   2.302  -6.251  -3.331
  554    HA   ASP  73           HA       ASP  73   0.870  -8.480  -4.341
  555   1HB   ASP  73          2HB       ASP  73   1.856  -7.956  -6.461
  556   2HB   ASP  73          1HB       ASP  73   1.705  -6.416  -5.618
  557    H    ASP  74           H        ASP  74   4.234  -8.203  -3.219
  558    HA   ASP  74           HA       ASP  74   5.069 -10.678  -4.369
  559   1HB   ASP  74          2HB       ASP  74   6.639  -9.029  -3.381
  560   2HB   ASP  74          1HB       ASP  74   6.012  -9.412  -1.773
  561    H    ALA  75           H        ALA  75   2.986  -9.912  -1.715
  562    HA   ALA  75           HA       ALA  75   3.158 -12.514  -0.440
  563   1HB   ALA  75          1HB       ALA  75   0.759 -10.680  -0.417
  564   2HB   ALA  75          2HB       ALA  75   2.165 -10.412   0.614
  565   3HB   ALA  75          3HB       ALA  75   1.216 -11.887   0.785
  566    H    LEU  76           H        LEU  76   1.384 -10.965  -3.001
  567    HA   LEU  76           HA       LEU  76  -0.566 -12.961  -3.624
  568   1HB   LEU  76          2HB       LEU  76  -0.208 -10.534  -4.535
  569   2HB   LEU  76          1HB       LEU  76   0.903 -11.275  -5.678
  570    HG   LEU  76           HG       LEU  76  -1.977 -12.152  -5.316
  571   1HD1  LEU  76          1HD1      LEU  76  -0.730 -10.121  -7.169
  572   2HD1  LEU  76          2HD1      LEU  76  -2.127  -9.920  -6.112
  573   3HD1  LEU  76          3HD1      LEU  76  -2.250 -10.925  -7.555
  574   1HD2  LEU  76          1HD2      LEU  76  -0.839 -13.912  -6.380
  575   2HD2  LEU  76          2HD2      LEU  76   0.236 -12.830  -7.257
  576   3HD2  LEU  76          3HD2      LEU  76  -1.451 -12.986  -7.743
  577    H    LYS  77           H        LYS  77   2.755 -12.415  -4.586
  578    HA   LYS  77           HA       LYS  77   3.109 -14.563  -6.393
  579   1HB   LYS  77          2HB       LYS  77   4.555 -12.471  -5.787
  580   2HB   LYS  77          1HB       LYS  77   5.246 -13.509  -4.549
  581   1HG   LYS  77          2HG       LYS  77   5.770 -15.176  -6.366
  582   2HG   LYS  77          1HG       LYS  77   5.258 -13.955  -7.529
  583   1HD   LYS  77          2HD       LYS  77   7.526 -13.433  -7.442
  584   2HD   LYS  77          1HD       LYS  77   6.959 -12.404  -6.118
  585   1HE   LYS  77          2HE       LYS  77   8.868 -13.635  -5.307
  586   2HE   LYS  77          1HE       LYS  77   7.440 -14.338  -4.549
  587   1HZ   LYS  77          1HZ       LYS  77   9.319 -15.729  -5.886
  588   2HZ   LYS  77          2HZ       LYS  77   8.131 -15.522  -7.084
  589   3HZ   LYS  77          3HZ       LYS  77   7.734 -16.265  -5.609
  590    H    LEU  78           H        LEU  78   3.725 -14.286  -2.947
  591    HA   LEU  78           HA       LEU  78   4.779 -16.876  -2.518
  592   1HB   LEU  78          2HB       LEU  78   3.791 -14.555  -1.027
  593   2HB   LEU  78          1HB       LEU  78   3.577 -16.045  -0.162
  594    HG   LEU  78           HG       LEU  78   6.020 -16.566  -0.593
  595   1HD1  LEU  78          1HD1      LEU  78   6.120 -13.646  -1.396
  596   2HD1  LEU  78          2HD1      LEU  78   6.155 -14.975  -2.555
  597   3HD1  LEU  78          3HD1      LEU  78   7.457 -14.795  -1.380
  598   1HD2  LEU  78          1HD2      LEU  78   6.803 -15.171   1.189
  599   2HD2  LEU  78          2HD2      LEU  78   5.101 -15.488   1.517
  600   3HD2  LEU  78          3HD2      LEU  78   5.594 -13.939   0.839
  601    H    ALA  79           H        ALA  79   1.459 -15.634  -1.944
  602    HA   ALA  79           HA       ALA  79   0.223 -17.959  -1.063
  603   1HB   ALA  79          1HB       ALA  79  -0.746 -15.583  -1.573
  604   2HB   ALA  79          2HB       ALA  79  -1.817 -16.981  -1.684
  605   3HB   ALA  79          3HB       ALA  79  -1.141 -16.264  -3.151
  606    H    ASN  80           H        ASN  80   0.939 -17.068  -4.450
  607    HA   ASN  80           HA       ASN  80  -0.272 -19.380  -5.642
  608   1HB   ASN  80          2HB       ASN  80   2.240 -18.156  -6.777
  609   2HB   ASN  80          1HB       ASN  80   0.799 -18.726  -7.622
  610   1HD2  ASN  80          1HD2      ASN  80  -1.001 -17.266  -5.652
  611   2HD2  ASN  80          2HD2      ASN  80  -0.891 -15.638  -6.096
  612    H    GLU  81           H        GLU  81   2.692 -18.850  -3.912
  613    HA   GLU  81           HA       GLU  81   3.831 -21.459  -4.705
  614   1HB   GLU  81          2HB       GLU  81   5.242 -19.400  -4.243
  615   2HB   GLU  81          1HB       GLU  81   4.788 -19.553  -2.547
  616   1HG   GLU  81          2HG       GLU  81   5.915 -21.623  -2.311
  617   2HG   GLU  81          1HG       GLU  81   6.017 -21.866  -4.054
  618    H    GLY  82           H        GLY  82   1.325 -20.636  -2.834
  619   1HA   GLY  82          2HA       GLY  82   0.125 -22.081  -1.375
  620   2HA   GLY  82          1HA       GLY  82   1.574 -23.060  -1.184
  621    H    LYS  83           H        LYS  83   1.296 -19.539  -0.627
  622    HA   LYS  83           HA       LYS  83   2.202 -20.008   2.186
  623   1HB   LYS  83          2HB       LYS  83   2.083 -17.517   0.482
  624   2HB   LYS  83          1HB       LYS  83   2.686 -17.560   2.128
  625   1HG   LYS  83          2HG       LYS  83   3.937 -18.633  -0.370
  626   2HG   LYS  83          1HG       LYS  83   4.681 -17.705   0.920
  627   1HD   LYS  83          2HD       LYS  83   4.463 -19.753   2.390
  628   2HD   LYS  83          1HD       LYS  83   3.992 -20.650   0.938
  629   1HE   LYS  83          2HE       LYS  83   6.362 -20.939   1.196
  630   2HE   LYS  83          1HE       LYS  83   6.124 -19.812  -0.141
  631   1HZ   LYS  83          1HZ       LYS  83   7.829 -19.197   1.617
  632   2HZ   LYS  83          2HZ       LYS  83   6.509 -18.867   2.633
  633   3HZ   LYS  83          3HZ       LYS  83   6.705 -18.004   1.183
  634    H    VAL  84           H        VAL  84  -0.105 -20.760   2.449
  635    HA   VAL  84           HA       VAL  84  -2.274 -18.889   2.450
  636    HB   VAL  84           HB       VAL  84  -1.868 -21.349   4.177
  637   1HG1  VAL  84          1HG1      VAL  84  -4.283 -19.637   3.544
  638   2HG1  VAL  84          2HG1      VAL  84  -3.624 -20.031   5.132
  639   3HG1  VAL  84          3HG1      VAL  84  -4.418 -21.280   4.173
  640   1HG2  VAL  84          1HG2      VAL  84  -1.792 -21.603   1.627
  641   2HG2  VAL  84          2HG2      VAL  84  -3.474 -21.074   1.627
  642   3HG2  VAL  84          3HG2      VAL  84  -3.018 -22.557   2.463
  643    H    LYS  85           H        LYS  85  -0.219 -20.023   5.168
  644    HA   LYS  85           HA       LYS  85  -1.342 -18.085   7.006
  645   1HB   LYS  85          2HB       LYS  85   0.965 -18.888   8.229
  646   2HB   LYS  85          1HB       LYS  85  -0.525 -19.821   8.264
  647   1HG   LYS  85          2HG       LYS  85   0.217 -21.357   6.681
  648   2HG   LYS  85          1HG       LYS  85   1.373 -20.246   5.971
  649   1HD   LYS  85          2HD       LYS  85   1.662 -21.364   8.772
  650   2HD   LYS  85          1HD       LYS  85   2.387 -22.116   7.356
  651   1HE   LYS  85          2HE       LYS  85   3.346 -19.639   6.976
  652   2HE   LYS  85          1HE       LYS  85   3.126 -19.557   8.723
  653   1HZ   LYS  85          1HZ       LYS  85   5.224 -20.424   8.540
  654   2HZ   LYS  85          2HZ       LYS  85   4.861 -21.333   7.151
  655   3HZ   LYS  85          3HZ       LYS  85   4.302 -21.840   8.674
  656    H    GLU  86           H        GLU  86   1.797 -18.357   5.373
  657    HA   GLU  86           HA       GLU  86   2.972 -16.007   6.369
  658   1HB   GLU  86          2HB       GLU  86   3.404 -17.951   4.230
  659   2HB   GLU  86          1HB       GLU  86   3.894 -16.339   3.700
  660   1HG   GLU  86          2HG       GLU  86   5.201 -16.220   5.934
  661   2HG   GLU  86          1HG       GLU  86   4.927 -17.960   6.031
  662    H    ALA  87           H        ALA  87   0.919 -16.448   3.481
  663    HA   ALA  87           HA       ALA  87   1.093 -13.741   2.582
  664   1HB   ALA  87          1HB       ALA  87   0.155 -15.570   1.199
  665   2HB   ALA  87          2HB       ALA  87  -0.970 -14.220   1.332
  666   3HB   ALA  87          3HB       ALA  87  -1.225 -15.678   2.292
  667    H    GLN  88           H        GLN  88  -1.203 -15.349   4.795
  668    HA   GLN  88           HA       GLN  88  -2.807 -13.009   5.257
  669   1HB   GLN  88          2HB       GLN  88  -2.423 -15.650   6.635
  670   2HB   GLN  88          1HB       GLN  88  -3.193 -14.361   7.559
  671   1HG   GLN  88          2HG       GLN  88  -4.875 -14.068   5.821
  672   2HG   GLN  88          1HG       GLN  88  -4.093 -15.283   4.818
  673   1HE2  GLN  88          1HE2      GLN  88  -5.977 -14.839   7.798
  674   2HE2  GLN  88          2HE2      GLN  88  -6.392 -16.474   7.973
  675    H    ALA  89           H        ALA  89   0.097 -14.305   6.832
  676    HA   ALA  89           HA       ALA  89   0.201 -12.439   8.995
  677   1HB   ALA  89          1HB       ALA  89   1.688 -14.320   9.072
  678   2HB   ALA  89          2HB       ALA  89   2.713 -12.898   8.882
  679   3HB   ALA  89          3HB       ALA  89   2.369 -13.929   7.493
  680    H    ALA  90           H        ALA  90   1.420 -12.315   5.666
  681    HA   ALA  90           HA       ALA  90   2.734  -9.776   5.889
  682   1HB   ALA  90          1HB       ALA  90   2.666  -9.719   3.474
  683   2HB   ALA  90          2HB       ALA  90   1.324 -10.863   3.431
  684   3HB   ALA  90          3HB       ALA  90   2.924 -11.398   3.944
  685    H    ALA  91           H        ALA  91  -0.592 -10.717   5.747
  686    HA   ALA  91           HA       ALA  91  -1.700  -8.263   4.769
  687   1HB   ALA  91          1HB       ALA  91  -2.733 -10.697   5.388
  688   2HB   ALA  91          2HB       ALA  91  -3.731  -9.268   5.194
  689   3HB   ALA  91          3HB       ALA  91  -3.255  -9.796   6.806
  690    H    GLU  92           H        GLU  92  -1.264  -9.437   8.148
  691    HA   GLU  92           HA       GLU  92  -2.109  -7.035   9.396
  692   1HB   GLU  92          2HB       GLU  92  -0.075  -9.082  10.328
  693   2HB   GLU  92          1HB       GLU  92  -0.753  -7.816  11.349
  694   1HG   GLU  92          2HG       GLU  92  -2.193  -9.588  11.842
  695   2HG   GLU  92          1HG       GLU  92  -3.072  -8.806  10.532
  696    H    GLN  93           H        GLN  93   0.726  -7.653   7.560
  697    HA   GLN  93           HA       GLN  93   2.384  -5.626   8.838
  698   1HB   GLN  93          2HB       GLN  93   3.998  -6.499   7.461
  699   2HB   GLN  93          1HB       GLN  93   2.813  -7.721   7.062
  700   1HG   GLN  93          2HG       GLN  93   3.570  -6.961   4.966
  701   2HG   GLN  93          1HG       GLN  93   2.060  -6.090   5.168
  702   1HE2  GLN  93          1HE2      GLN  93   3.450  -4.379   7.312
  703   2HE2  GLN  93          2HE2      GLN  93   4.357  -3.255   6.407
  704    H    LEU  94           H        LEU  94   0.132  -5.757   6.136
  705    HA   LEU  94           HA       LEU  94   0.598  -3.072   5.221
  706   1HB   LEU  94          2HB       LEU  94  -0.514  -4.668   3.776
  707   2HB   LEU  94          1HB       LEU  94  -1.786  -4.921   4.962
  708    HG   LEU  94           HG       LEU  94  -2.626  -2.676   4.648
  709   1HD1  LEU  94          1HD1      LEU  94  -1.447  -1.315   2.718
  710   2HD1  LEU  94          2HD1      LEU  94  -0.048  -2.299   3.137
  711   3HD1  LEU  94          3HD1      LEU  94  -0.788  -1.264   4.347
  712   1HD2  LEU  94          1HD2      LEU  94  -1.997  -3.637   1.857
  713   2HD2  LEU  94          2HD2      LEU  94  -3.479  -2.898   2.452
  714   3HD2  LEU  94          3HD2      LEU  94  -3.075  -4.552   2.907
  715    H    LYS  95           H        LYS  95  -1.702  -4.479   7.522
  716    HA   LYS  95           HA       LYS  95  -3.277  -2.178   8.010
  717   1HB   LYS  95          2HB       LYS  95  -2.427  -4.383   9.910
  718   2HB   LYS  95          1HB       LYS  95  -3.696  -3.209  10.264
  719   1HG   LYS  95          2HG       LYS  95  -5.091  -4.011   8.498
  720   2HG   LYS  95          1HG       LYS  95  -3.767  -4.904   7.759
  721   1HD   LYS  95          2HD       LYS  95  -4.483  -6.759   8.880
  722   2HD   LYS  95          1HD       LYS  95  -3.958  -5.998  10.373
  723   1HE   LYS  95          2HE       LYS  95  -6.305  -4.807  10.274
  724   2HE   LYS  95          1HE       LYS  95  -6.716  -6.137   9.187
  725   1HZ   LYS  95          1HZ       LYS  95  -7.063  -7.331  11.009
  726   2HZ   LYS  95          2HZ       LYS  95  -6.379  -6.147  12.017
  727   3HZ   LYS  95          3HZ       LYS  95  -5.387  -7.310  11.274
  728    H    THR  96           H        THR  96  -0.641  -3.333  10.125
  729    HA   THR  96           HA       THR  96  -0.395  -0.824  11.475
  730    HB   THR  96           HB       THR  96   1.909  -2.760  11.297
  731    HG1  THR  96           1HG      THR  96   0.572  -3.772  13.111
  732   1HG2  THR  96          1HG2      THR  96   0.675  -1.526  13.756
  733   2HG2  THR  96          2HG2      THR  96   1.773  -0.592  12.739
  734   3HG2  THR  96          3HG2      THR  96   2.333  -2.077  13.509
  735    H    THR  97           H        THR  97   0.910  -1.937   8.408
  736    HA   THR  97           HA       THR  97   3.249  -0.415   8.196
  737    HB   THR  97           HB       THR  97   1.135  -0.983   6.108
  738    HG1  THR  97           1HG      THR  97   3.793  -1.825   6.559
  739   1HG2  THR  97          1HG2      THR  97   3.635   0.678   5.875
  740   2HG2  THR  97          2HG2      THR  97   2.017   1.038   5.274
  741   3HG2  THR  97          3HG2      THR  97   2.993  -0.203   4.489
  742    H    ILE  98           H        ILE  98  -0.033   0.691   7.288
  743    HA   ILE  98           HA       ILE  98   0.634   3.424   6.937
  744    HB   ILE  98           HB       ILE  98  -1.932   1.997   7.641
  745   1HG1  ILE  98          2HG1      ILE  98  -2.330   3.135   5.192
  746   2HG1  ILE  98          1HG1      ILE  98  -0.580   2.935   5.138
  747   1HG2  ILE  98          1HG2      ILE  98  -1.431   4.927   7.510
  748   2HG2  ILE  98          2HG2      ILE  98  -2.542   4.037   8.527
  749   3HG2  ILE  98          3HG2      ILE  98  -2.927   4.324   6.832
  750   1HD1  ILE  98          1HD1      ILE  98  -0.886   0.540   5.773
  751   2HD1  ILE  98          2HD1      ILE  98  -1.617   0.947   4.223
  752   3HD1  ILE  98          3HD1      ILE  98  -2.629   0.765   5.657
  753    H    ARG  99           H        ARG  99  -0.803   1.872   9.864
  754    HA   ARG  99           HA       ARG  99  -0.695   4.249  11.402
  755   1HB   ARG  99          2HB       ARG  99  -1.736   1.808  11.779
  756   2HB   ARG  99          1HB       ARG  99  -0.263   1.574  12.710
  757   1HG   ARG  99          2HG       ARG  99  -1.951   4.037  13.192
  758   2HG   ARG  99          1HG       ARG  99  -2.410   2.498  13.881
  759   1HD   ARG  99          2HD       ARG  99   0.348   3.677  14.216
  760   2HD   ARG  99          1HD       ARG  99  -0.947   3.933  15.375
  761    HE   ARG  99           HE       ARG  99   0.356   1.315  14.782
  762   1HH1  ARG  99          1HH2      ARG  99  -1.842   3.247  16.658
  763   2HH1  ARG  99          2HH2      ARG  99  -1.988   2.066  17.911
  764   1HH2  ARG  99          1HH1      ARG  99   0.148  -0.208  16.418
  765   2HH2  ARG  99          2HH1      ARG  99  -0.875   0.121  17.777
  766    H    ALA 100           H        ALA 100   1.691   1.556  11.261
  767    HA   ALA 100           HA       ALA 100   3.539   2.740  13.100
  768   1HB   ALA 100          1HB       ALA 100   5.247   1.275  11.882
  769   2HB   ALA 100          2HB       ALA 100   3.920   0.771  10.836
  770   3HB   ALA 100          3HB       ALA 100   3.856   0.435  12.565
  771    H    TYR 101           H        TYR 101   3.000   3.215   9.701
  772    HA   TYR 101           HA       TYR 101   5.418   4.713   9.153
  773   1HB   TYR 101          2HB       TYR 101   2.783   4.278   7.752
  774   2HB   TYR 101          1HB       TYR 101   3.865   5.532   7.167
  775    HD1  TYR 101           1HD      TYR 101   5.174   2.429   8.693
  776    HD2  TYR 101           2HD      TYR 101   4.192   4.409   4.999
  777    HE1  TYR 101           1HE      TYR 101   6.457   0.731   7.442
  778    HE2  TYR 101           2HE      TYR 101   5.487   2.702   3.755
  779    HH   TYR 101           HH       TYR 101   6.491  -0.209   5.131
  780    H    ASN 102           H        ASN 102   2.749   5.260  11.012
  781    HA   ASN 102           HA       ASN 102   2.193   7.196  12.286
  782   1HB   ASN 102          2HB       ASN 102   4.405   8.293  11.483
  783   2HB   ASN 102          1HB       ASN 102   3.457   8.936  10.139
  784   1HD2  ASN 102          1HD2      ASN 102   1.527  10.278  10.702
  785   2HD2  ASN 102          2HD2      ASN 102   1.549  11.171  12.150
  786    H    GLN 103           H        GLN 103   0.301   6.010  11.116
  787    HA   GLN 103           HA       GLN 103  -1.534   6.033   9.717
  788   1HB   GLN 103          2HB       GLN 103  -1.135   8.760  10.810
  789   2HB   GLN 103          1HB       GLN 103  -2.286   8.628   9.478
  790   1HG   GLN 103          2HG       GLN 103  -2.377   6.809  11.899
  791   2HG   GLN 103          1HG       GLN 103  -3.255   8.345  11.843
  792   1HE2  GLN 103          1HE2      GLN 103  -2.903   6.715   8.790
  793   2HE2  GLN 103          2HE2      GLN 103  -4.460   6.086   8.709
  794    H    LYS 104           H        LYS 104   0.537   5.590   8.345
  795    HA   LYS 104           HA       LYS 104   1.545   5.585   6.304
  796   1HB   LYS 104          2HB       LYS 104  -0.569   5.263   5.406
  797   2HB   LYS 104          1HB       LYS 104  -1.099   6.879   5.793
  798   1HG   LYS 104          2HG       LYS 104  -0.622   6.454   3.350
  799   2HG   LYS 104          1HG       LYS 104   0.259   7.826   4.027
  800   1HD   LYS 104          2HD       LYS 104   2.295   6.543   4.172
  801   2HD   LYS 104          1HD       LYS 104   1.431   5.019   3.960
  802   1HE   LYS 104          2HE       LYS 104   2.545   5.565   1.881
  803   2HE   LYS 104          1HE       LYS 104   0.817   5.796   1.654
  804   1HZ   LYS 104          1HZ       LYS 104   2.890   7.684   1.407
  805   2HZ   LYS 104          2HZ       LYS 104   1.814   8.187   2.623
  806   3HZ   LYS 104          3HZ       LYS 104   1.241   7.866   1.056
  807    H    TYR 105           H        TYR 105   0.129   8.867   5.937
  808    HA   TYR 105           HA       TYR 105   2.845   9.973   6.418
  809   1HB   TYR 105          2HB       TYR 105   1.706   9.649   3.781
  810   2HB   TYR 105          1HB       TYR 105   1.809  11.372   4.123
  811    HD1  TYR 105           1HD      TYR 105   3.867   8.240   4.367
  812    HD2  TYR 105           2HD      TYR 105   3.837  12.491   3.776
  813    HE1  TYR 105           1HE      TYR 105   6.298   8.190   3.910
  814    HE2  TYR 105           2HE      TYR 105   6.271  12.442   3.317
  815    HH   TYR 105           HH       TYR 105   8.213   9.738   3.999
  816    H    GLY 106           H        GLY 106  -0.248  10.041   7.255
  817   1HA   GLY 106          2HA       GLY 106  -0.789  12.908   7.171
  818   2HA   GLY 106          1HA       GLY 106  -1.733  11.703   8.047
  Start of MODEL   10
    1    HA   ALA   1           HA       ALA   1 -17.718   8.292   3.805
    2   1HB   ALA   1          1HB       ALA   1 -17.328   6.633   2.198
    3   2HB   ALA   1          2HB       ALA   1 -17.888   7.644   0.867
    4   3HB   ALA   1          3HB       ALA   1 -19.049   6.948   1.997
    5    H    ASP   2           H        ASP   2 -16.238   9.926   4.135
    6    HA   ASP   2           HA       ASP   2 -15.275  11.593   1.930
    7   1HB   ASP   2          2HB       ASP   2 -15.523  12.334   4.355
    8   2HB   ASP   2          1HB       ASP   2 -14.080  11.387   4.697
    9    H    LEU   3           H        LEU   3 -12.659  11.864   2.214
   10    HA   LEU   3           HA       LEU   3 -11.456   9.778   0.788
   11   1HB   LEU   3          2HB       LEU   3 -10.602  12.191   2.143
   12   2HB   LEU   3          1HB       LEU   3  -9.428  10.927   2.472
   13    HG   LEU   3           HG       LEU   3  -8.820  12.203   0.464
   14   1HD1  LEU   3          1HD1      LEU   3  -9.688   9.583  -0.696
   15   2HD1  LEU   3          2HD1      LEU   3  -8.637   9.543   0.721
   16   3HD1  LEU   3          3HD1      LEU   3  -8.116  10.377  -0.740
   17   1HD2  LEU   3          1HD2      LEU   3 -11.424  12.526  -0.066
   18   2HD2  LEU   3          2HD2      LEU   3 -11.151  11.110  -1.082
   19   3HD2  LEU   3          3HD2      LEU   3 -10.212  12.576  -1.343
   20    H    GLU   4           H        GLU   4 -12.037  10.011   4.231
   21    HA   GLU   4           HA       GLU   4 -10.217   8.027   5.130
   22   1HB   GLU   4          2HB       GLU   4 -11.664   7.804   7.070
   23   2HB   GLU   4          1HB       GLU   4 -11.609   9.505   6.610
   24   1HG   GLU   4          2HG       GLU   4 -13.726   9.069   5.247
   25   2HG   GLU   4          1HG       GLU   4 -13.823   7.514   6.074
   26    H    ASP   5           H        ASP   5 -12.824   7.730   2.987
   27    HA   ASP   5           HA       ASP   5 -13.602   5.030   3.729
   28   1HB   ASP   5          2HB       ASP   5 -15.038   5.089   1.832
   29   2HB   ASP   5          1HB       ASP   5 -15.022   6.741   2.444
   30    H    ASN   6           H        ASN   6 -11.556   6.369   1.082
   31    HA   ASN   6           HA       ASN   6 -10.900   3.945  -0.174
   32   1HB   ASN   6          2HB       ASN   6  -9.688   5.504  -1.342
   33   2HB   ASN   6          1HB       ASN   6  -9.725   6.618   0.020
   34   1HD2  ASN   6          1HD2      ASN   6  -8.130   5.819   1.892
   35   2HD2  ASN   6          2HD2      ASN   6  -6.595   5.353   1.353
   36    H    TRP   7           H        TRP   7  -9.722   5.368   2.811
   37    HA   TRP   7           HA       TRP   7  -7.738   3.434   3.471
   38   1HB   TRP   7          2HB       TRP   7  -9.306   5.527   4.874
   39   2HB   TRP   7          1HB       TRP   7  -8.832   4.203   5.927
   40    HD1  TRP   7           HD       TRP   7  -7.242   6.510   3.305
   41    HE1  TRP   7           1HE      TRP   7  -4.843   7.074   4.028
   42    HE3  TRP   7           3HE      TRP   7  -6.919   3.699   7.548
   43    HZ2  TRP   7           2HZ      TRP   7  -3.013   6.439   6.132
   44    HZ3  TRP   7           3HZ      TRP   7  -4.835   3.693   8.892
   45    HH2  TRP   7           HH       TRP   7  -2.879   5.054   8.188
   46    H    GLU   8           H        GLU   8 -11.238   3.578   4.006
   47    HA   GLU   8           HA       GLU   8 -11.538   1.279   5.619
   48   1HB   GLU   8          2HB       GLU   8 -13.317   2.992   4.976
   49   2HB   GLU   8          1HB       GLU   8 -13.479   2.096   3.469
   50   1HG   GLU   8          2HG       GLU   8 -13.997   0.043   4.721
   51   2HG   GLU   8          1HG       GLU   8 -13.814   0.921   6.241
   52    H    THR   9           H        THR   9 -11.477   1.589   2.062
   53    HA   THR   9           HA       THR   9 -11.971  -1.132   1.453
   54    HB   THR   9           HB       THR   9  -9.946   0.512  -0.100
   55    HG1  THR   9           1HG      THR   9 -11.522   1.755  -0.870
   56   1HG2  THR   9          1HG2      THR   9 -12.165  -1.399  -0.901
   57   2HG2  THR   9          2HG2      THR   9 -10.446  -1.787  -0.839
   58   3HG2  THR   9          3HG2      THR   9 -11.042  -0.607  -2.007
   59    H    LEU  10           H        LEU  10  -8.868   0.552   1.870
   60    HA   LEU  10           HA       LEU  10  -7.257  -1.819   1.831
   61   1HB   LEU  10          2HB       LEU  10  -6.924   1.052   2.626
   62   2HB   LEU  10          1HB       LEU  10  -5.737  -0.082   3.255
   63    HG   LEU  10           HG       LEU  10  -5.534  -0.868   0.755
   64   1HD1  LEU  10          1HD1      LEU  10  -6.120   0.738  -0.909
   65   2HD1  LEU  10          2HD1      LEU  10  -6.500   1.960   0.303
   66   3HD1  LEU  10          3HD1      LEU  10  -7.551   0.562   0.102
   67   1HD2  LEU  10          1HD2      LEU  10  -3.740   0.264   1.966
   68   2HD2  LEU  10          2HD2      LEU  10  -4.520   1.824   1.707
   69   3HD2  LEU  10          3HD2      LEU  10  -3.862   0.929   0.337
   70    H    ASN  11           H        ASN  11  -9.033  -0.142   4.342
   71    HA   ASN  11           HA       ASN  11  -7.801  -1.308   6.618
   72   1HB   ASN  11          2HB       ASN  11  -9.591   0.528   6.542
   73   2HB   ASN  11          1HB       ASN  11 -10.765  -0.787   6.357
   74   1HD2  ASN  11          1HD2      ASN  11  -8.292  -2.105   8.138
   75   2HD2  ASN  11          2HD2      ASN  11  -8.851  -1.788   9.706
   76    H    ASP  12           H        ASP  12 -10.904  -2.250   5.190
   77    HA   ASP  12           HA       ASP  12 -11.239  -4.683   6.524
   78   1HB   ASP  12          2HB       ASP  12 -12.034  -3.845   3.751
   79   2HB   ASP  12          1HB       ASP  12 -12.594  -5.343   4.490
   80    H    ASN  13           H        ASN  13  -9.070  -3.865   3.928
   81    HA   ASN  13           HA       ASN  13  -8.741  -6.578   3.002
   82   1HB   ASN  13          2HB       ASN  13  -7.227  -4.022   2.598
   83   2HB   ASN  13          1HB       ASN  13  -6.439  -5.534   2.163
   84   1HD2  ASN  13          1HD2      ASN  13  -9.151  -3.394   1.369
   85   2HD2  ASN  13          2HD2      ASN  13  -9.550  -4.156  -0.095
   86    H    LEU  14           H        LEU  14  -6.406  -4.552   4.844
   87    HA   LEU  14           HA       LEU  14  -4.737  -6.645   5.707
   88   1HB   LEU  14          2HB       LEU  14  -5.520  -4.010   6.951
   89   2HB   LEU  14          1HB       LEU  14  -4.397  -5.096   7.767
   90    HG   LEU  14           HG       LEU  14  -3.340  -3.276   6.305
   91   1HD1  LEU  14          1HD1      LEU  14  -2.591  -5.995   5.262
   92   2HD1  LEU  14          2HD1      LEU  14  -2.299  -5.566   6.946
   93   3HD1  LEU  14          3HD1      LEU  14  -1.554  -4.632   5.655
   94   1HD2  LEU  14          1HD2      LEU  14  -4.292  -5.046   4.027
   95   2HD2  LEU  14          2HD2      LEU  14  -3.345  -3.566   3.902
   96   3HD2  LEU  14          3HD2      LEU  14  -5.013  -3.494   4.447
   97    H    LYS  15           H        LYS  15  -7.821  -5.536   6.865
   98    HA   LYS  15           HA       LYS  15  -7.953  -6.821   9.385
   99   1HB   LYS  15          2HB       LYS  15  -9.573  -5.152   8.308
  100   2HB   LYS  15          1HB       LYS  15 -10.235  -6.522   7.425
  101   1HG   LYS  15          2HG       LYS  15 -10.629  -7.654   9.647
  102   2HG   LYS  15          1HG       LYS  15 -10.184  -6.135  10.422
  103   1HD   LYS  15          2HD       LYS  15 -12.492  -5.842  10.272
  104   2HD   LYS  15          1HD       LYS  15 -11.995  -5.121   8.740
  105   1HE   LYS  15          2HE       LYS  15 -13.884  -6.694   8.439
  106   2HE   LYS  15          1HE       LYS  15 -12.447  -7.241   7.579
  107   1HZ   LYS  15          1HZ       LYS  15 -12.264  -9.033   8.875
  108   2HZ   LYS  15          2HZ       LYS  15 -13.881  -8.731   9.305
  109   3HZ   LYS  15          3HZ       LYS  15 -12.617  -8.178  10.296
  110    H    VAL  16           H        VAL  16  -9.076  -8.018   6.193
  111    HA   VAL  16           HA       VAL  16  -9.867 -10.544   7.222
  112    HB   VAL  16           HB       VAL  16  -9.410  -9.342   4.523
  113   1HG1  VAL  16          1HG1      VAL  16  -9.587 -12.300   5.100
  114   2HG1  VAL  16          2HG1      VAL  16  -8.425 -11.456   4.081
  115   3HG1  VAL  16          3HG1      VAL  16 -10.100 -11.624   3.554
  116   1HG2  VAL  16          1HG2      VAL  16 -11.705 -10.854   5.802
  117   2HG2  VAL  16          2HG2      VAL  16 -11.755 -10.059   4.227
  118   3HG2  VAL  16          3HG2      VAL  16 -11.560  -9.099   5.694
  119    H    ILE  17           H        ILE  17  -6.797  -9.699   5.433
  120    HA   ILE  17           HA       ILE  17  -5.707 -12.293   5.626
  121    HB   ILE  17           HB       ILE  17  -3.692 -10.195   6.251
  122   1HG1  ILE  17          2HG1      ILE  17  -5.443  -9.951   3.776
  123   2HG1  ILE  17          1HG1      ILE  17  -5.302  -8.773   5.076
  124   1HG2  ILE  17          1HG2      ILE  17  -2.508 -11.211   4.462
  125   2HG2  ILE  17          2HG2      ILE  17  -3.981 -11.884   3.767
  126   3HG2  ILE  17          3HG2      ILE  17  -3.344 -12.535   5.274
  127   1HD1  ILE  17          1HD1      ILE  17  -3.194  -9.581   3.076
  128   2HD1  ILE  17          2HD1      ILE  17  -2.795  -8.709   4.556
  129   3HD1  ILE  17          3HD1      ILE  17  -3.861  -7.973   3.358
  130    H    GLU  18           H        GLU  18  -5.521  -9.640   7.963
  131    HA   GLU  18           HA       GLU  18  -4.143 -10.977  10.033
  132   1HB   GLU  18          2HB       GLU  18  -6.393  -8.940  10.205
  133   2HB   GLU  18          1HB       GLU  18  -5.360  -9.393  11.556
  134   1HG   GLU  18          2HG       GLU  18  -3.928  -8.535   9.069
  135   2HG   GLU  18          1HG       GLU  18  -4.829  -7.271   9.898
  136    H    LYS  19           H        LYS  19  -7.499 -11.196   8.959
  137    HA   LYS  19           HA       LYS  19  -7.986 -13.356  10.988
  138   1HB   LYS  19          2HB       LYS  19  -9.914 -11.250   9.966
  139   2HB   LYS  19          1HB       LYS  19 -10.338 -12.559  11.067
  140   1HG   LYS  19          2HG       LYS  19  -9.378 -11.517  12.884
  141   2HG   LYS  19          1HG       LYS  19  -8.010 -10.932  11.952
  142   1HD   LYS  19          2HD       LYS  19  -9.318  -9.039  12.736
  143   2HD   LYS  19          1HD       LYS  19  -9.457  -9.145  10.982
  144   1HE   LYS  19          2HE       LYS  19 -11.670  -8.754  11.895
  145   2HE   LYS  19          1HE       LYS  19 -11.616 -10.419  11.320
  146   1HZ   LYS  19          1HZ       LYS  19 -12.363 -10.884  13.364
  147   2HZ   LYS  19          2HZ       LYS  19 -11.850  -9.400  14.014
  148   3HZ   LYS  19          3HZ       LYS  19 -10.748 -10.683  13.840
  149    H    ALA  20           H        ALA  20  -7.041 -13.771   8.275
  150    HA   ALA  20           HA       ALA  20  -9.191 -14.316   6.461
  151   1HB   ALA  20          1HB       ALA  20  -7.076 -14.159   5.454
  152   2HB   ALA  20          2HB       ALA  20  -7.417 -15.885   5.396
  153   3HB   ALA  20          3HB       ALA  20  -6.330 -15.242   6.629
  154    H    ASP  21           H        ASP  21  -7.899 -16.147   9.122
  155    HA   ASP  21           HA       ASP  21  -8.676 -18.130  10.106
  156   1HB   ASP  21          2HB       ASP  21 -10.822 -18.364   7.999
  157   2HB   ASP  21          1HB       ASP  21 -10.875 -18.828   9.700
  158    H    ASN  22           H        ASN  22  -8.427 -17.970   6.594
  159    HA   ASN  22           HA       ASN  22  -6.820 -20.441   6.619
  160   1HB   ASN  22          2HB       ASN  22  -9.176 -20.297   4.730
  161   2HB   ASN  22          1HB       ASN  22  -8.151 -21.685   5.096
  162   1HD2  ASN  22          1HD2      ASN  22 -10.827 -19.725   6.272
  163   2HD2  ASN  22          2HD2      ASN  22 -11.259 -20.748   7.557
  164    H    ALA  23           H        ALA  23  -5.533 -20.656   4.703
  165    HA   ALA  23           HA       ALA  23  -4.569 -18.273   3.572
  166   1HB   ALA  23          1HB       ALA  23  -3.141 -19.643   2.388
  167   2HB   ALA  23          2HB       ALA  23  -4.443 -20.690   1.819
  168   3HB   ALA  23          3HB       ALA  23  -3.804 -20.885   3.447
  169    H    ALA  24           H        ALA  24  -7.481 -19.966   2.837
  170    HA   ALA  24           HA       ALA  24  -7.773 -19.154   0.096
  171   1HB   ALA  24          1HB       ALA  24  -9.166 -20.927   1.042
  172   2HB   ALA  24          2HB       ALA  24 -10.199 -19.617   0.469
  173   3HB   ALA  24          3HB       ALA  24  -9.874 -19.795   2.194
  174    H    GLN  25           H        GLN  25  -9.218 -17.722   3.089
  175    HA   GLN  25           HA       GLN  25 -10.298 -15.472   1.672
  176   1HB   GLN  25          2HB       GLN  25  -9.609 -15.900   4.583
  177   2HB   GLN  25          1HB       GLN  25 -10.328 -14.406   3.991
  178   1HG   GLN  25          2HG       GLN  25 -12.407 -15.347   3.936
  179   2HG   GLN  25          1HG       GLN  25 -11.830 -16.685   2.950
  180   1HE2  GLN  25          1HE2      GLN  25 -11.133 -18.647   4.050
  181   2HE2  GLN  25          2HE2      GLN  25 -11.527 -18.933   5.675
  182    H    VAL  26           H        VAL  26  -7.065 -16.213   2.607
  183    HA   VAL  26           HA       VAL  26  -6.114 -13.496   2.870
  184    HB   VAL  26           HB       VAL  26  -4.824 -16.181   2.348
  185   1HG1  VAL  26          1HG1      VAL  26  -3.562 -13.463   2.124
  186   2HG1  VAL  26          2HG1      VAL  26  -3.413 -14.840   1.040
  187   3HG1  VAL  26          3HG1      VAL  26  -2.609 -14.862   2.608
  188   1HG2  VAL  26          1HG2      VAL  26  -5.236 -15.939   4.639
  189   2HG2  VAL  26          2HG2      VAL  26  -4.872 -14.217   4.634
  190   3HG2  VAL  26          3HG2      VAL  26  -3.571 -15.393   4.499
  191    H    LYS  27           H        LYS  27  -5.969 -15.896   0.237
  192    HA   LYS  27           HA       LYS  27  -4.878 -14.231  -1.755
  193   1HB   LYS  27          2HB       LYS  27  -6.944 -16.408  -2.167
  194   2HB   LYS  27          1HB       LYS  27  -5.789 -15.812  -3.362
  195   1HG   LYS  27          2HG       LYS  27  -3.932 -16.653  -2.090
  196   2HG   LYS  27          1HG       LYS  27  -4.961 -17.048  -0.729
  197   1HD   LYS  27          2HD       LYS  27  -4.350 -19.040  -2.146
  198   2HD   LYS  27          1HD       LYS  27  -6.083 -18.785  -1.963
  199   1HE   LYS  27          2HE       LYS  27  -6.326 -17.981  -4.158
  200   2HE   LYS  27          1HE       LYS  27  -4.610 -17.604  -4.313
  201   1HZ   LYS  27          1HZ       LYS  27  -4.095 -19.931  -4.341
  202   2HZ   LYS  27          2HZ       LYS  27  -5.272 -19.620  -5.526
  203   3HZ   LYS  27          3HZ       LYS  27  -5.715 -20.346  -4.055
  204    H    ASP  28           H        ASP  28  -8.182 -14.626  -0.676
  205    HA   ASP  28           HA       ASP  28  -9.479 -13.165  -2.758
  206   1HB   ASP  28          2HB       ASP  28 -10.265 -14.561  -0.502
  207   2HB   ASP  28          1HB       ASP  28 -10.664 -12.919  -0.047
  208    H    ALA  29           H        ALA  29  -8.775 -12.025   0.552
  209    HA   ALA  29           HA       ALA  29  -9.390  -9.328   0.139
  210   1HB   ALA  29          1HB       ALA  29  -7.622  -8.909   1.963
  211   2HB   ALA  29          2HB       ALA  29  -7.377 -10.657   1.940
  212   3HB   ALA  29          3HB       ALA  29  -8.956  -9.991   2.345
  213    H    LEU  30           H        LEU  30  -6.206 -10.881  -0.391
  214    HA   LEU  30           HA       LEU  30  -4.868  -8.493  -1.108
  215   1HB   LEU  30          2HB       LEU  30  -4.387 -11.364  -1.918
  216   2HB   LEU  30          1HB       LEU  30  -3.270 -10.051  -2.338
  217    HG   LEU  30           HG       LEU  30  -4.159 -10.460   0.534
  218   1HD1  LEU  30          1HD1      LEU  30  -3.196 -12.614  -0.381
  219   2HD1  LEU  30          2HD1      LEU  30  -2.282 -11.903   0.949
  220   3HD1  LEU  30          3HD1      LEU  30  -1.713 -11.719  -0.703
  221   1HD2  LEU  30          1HD2      LEU  30  -1.843  -9.481   0.909
  222   2HD2  LEU  30          2HD2      LEU  30  -2.982  -8.385   0.138
  223   3HD2  LEU  30          3HD2      LEU  30  -1.755  -9.204  -0.826
  224    H    THR  31           H        THR  31  -6.913 -10.618  -3.058
  225    HA   THR  31           HA       THR  31  -6.251  -9.419  -5.579
  226    HB   THR  31           HB       THR  31  -8.643 -10.960  -4.549
  227    HG1  THR  31           1HG      THR  31  -6.294 -11.464  -5.861
  228   1HG2  THR  31          1HG2      THR  31  -9.619  -9.551  -6.191
  229   2HG2  THR  31          2HG2      THR  31  -9.282 -11.070  -7.019
  230   3HG2  THR  31          3HG2      THR  31  -8.216  -9.684  -7.249
  231    H    LYS  32           H        LYS  32  -8.447  -8.564  -2.960
  232    HA   LYS  32           HA       LYS  32  -9.804  -6.468  -4.468
  233   1HB   LYS  32          2HB       LYS  32  -9.667  -6.353  -1.463
  234   2HB   LYS  32          1HB       LYS  32 -11.023  -6.005  -2.530
  235   1HG   LYS  32          2HG       LYS  32  -9.928  -8.775  -2.034
  236   2HG   LYS  32          1HG       LYS  32 -11.285  -8.102  -1.166
  237   1HD   LYS  32          2HD       LYS  32 -12.724  -8.317  -2.953
  238   2HD   LYS  32          1HD       LYS  32 -11.478  -7.984  -4.145
  239   1HE   LYS  32          2HE       LYS  32 -10.842 -10.206  -4.304
  240   2HE   LYS  32          1HE       LYS  32 -11.262 -10.573  -2.631
  241   1HZ   LYS  32          1HZ       LYS  32 -12.916 -10.613  -5.013
  242   2HZ   LYS  32          2HZ       LYS  32 -13.651  -9.952  -3.632
  243   3HZ   LYS  32          3HZ       LYS  32 -13.030 -11.532  -3.592
  244    H    MET  33           H        MET  33  -7.047  -6.704  -2.279
  245    HA   MET  33           HA       MET  33  -6.511  -3.931  -1.999
  246   1HB   MET  33          2HB       MET  33  -4.787  -6.395  -2.057
  247   2HB   MET  33          1HB       MET  33  -4.053  -4.800  -1.896
  248   1HG   MET  33          2HG       MET  33  -5.837  -4.545   0.068
  249   2HG   MET  33          1HG       MET  33  -5.761  -6.304   0.058
  250   1HE   MET  33          1HE       MET  33  -3.849  -3.021   0.138
  251   2HE   MET  33          2HE       MET  33  -2.688  -3.280   1.438
  252   3HE   MET  33          3HE       MET  33  -4.415  -3.332   1.785
  253    H    ARG  34           H        ARG  34  -5.654  -6.257  -4.581
  254    HA   ARG  34           HA       ARG  34  -3.986  -4.647  -6.161
  255   1HB   ARG  34          2HB       ARG  34  -5.708  -6.951  -6.528
  256   2HB   ARG  34          1HB       ARG  34  -5.849  -5.921  -7.937
  257   1HG   ARG  34          2HG       ARG  34  -4.062  -7.375  -8.460
  258   2HG   ARG  34          1HG       ARG  34  -3.277  -5.883  -7.969
  259   1HD   ARG  34          2HD       ARG  34  -3.766  -7.861  -5.785
  260   2HD   ARG  34          1HD       ARG  34  -2.568  -8.309  -6.986
  261    HE   ARG  34           HE       ARG  34  -1.258  -6.361  -6.383
  262   1HH1  ARG  34          1HH2      ARG  34  -4.053  -6.900  -4.411
  263   2HH1  ARG  34          2HH2      ARG  34  -3.493  -5.856  -3.158
  264   1HH2  ARG  34          1HH1      ARG  34  -0.556  -5.018  -4.759
  265   2HH2  ARG  34          2HH1      ARG  34  -1.539  -4.781  -3.354
  266    H    ALA  35           H        ALA  35  -7.533  -4.795  -6.142
  267    HA   ALA  35           HA       ALA  35  -7.890  -2.613  -7.995
  268   1HB   ALA  35          1HB       ALA  35  -9.858  -3.412  -5.844
  269   2HB   ALA  35          2HB       ALA  35  -9.597  -4.400  -7.282
  270   3HB   ALA  35          3HB       ALA  35 -10.200  -2.749  -7.443
  271    H    ALA  36           H        ALA  36  -8.072  -2.799  -4.438
  272    HA   ALA  36           HA       ALA  36  -8.474   0.020  -4.037
  273   1HB   ALA  36          1HB       ALA  36  -8.744  -2.082  -2.431
  274   2HB   ALA  36          2HB       ALA  36  -8.396  -0.486  -1.777
  275   3HB   ALA  36          3HB       ALA  36  -7.096  -1.662  -1.967
  276    H    ALA  37           H        ALA  37  -5.663  -1.870  -4.804
  277    HA   ALA  37           HA       ALA  37  -3.660  -0.193  -3.603
  278   1HB   ALA  37          1HB       ALA  37  -3.737  -2.386  -5.602
  279   2HB   ALA  37          2HB       ALA  37  -2.668  -2.170  -4.225
  280   3HB   ALA  37          3HB       ALA  37  -2.347  -1.312  -5.731
  281    H    LEU  38           H        LEU  38  -4.112  -0.513  -7.129
  282    HA   LEU  38           HA       LEU  38  -2.898   2.027  -7.613
  283   1HB   LEU  38          2HB       LEU  38  -4.828   0.615  -9.459
  284   2HB   LEU  38          1HB       LEU  38  -3.632   1.839  -9.886
  285    HG   LEU  38           HG       LEU  38  -2.254  -0.290  -8.476
  286   1HD1  LEU  38          1HD1      LEU  38  -2.644  -2.128 -10.143
  287   2HD1  LEU  38          2HD1      LEU  38  -4.031  -1.223 -10.746
  288   3HD1  LEU  38          3HD1      LEU  38  -4.022  -1.818  -9.087
  289   1HD2  LEU  38          1HD2      LEU  38  -0.956  -0.428 -10.541
  290   2HD2  LEU  38          2HD2      LEU  38  -1.286   1.265 -10.173
  291   3HD2  LEU  38          3HD2      LEU  38  -2.213   0.437 -11.425
  292    H    ASP  39           H        ASP  39  -6.128   1.191  -6.707
  293    HA   ASP  39           HA       ASP  39  -7.491   3.474  -7.780
  294   1HB   ASP  39          2HB       ASP  39  -8.715   1.579  -6.757
  295   2HB   ASP  39          1HB       ASP  39  -8.010   1.974  -5.191
  296    H    ALA  40           H        ALA  40  -5.707   2.876  -4.776
  297    HA   ALA  40           HA       ALA  40  -6.088   5.453  -3.621
  298   1HB   ALA  40          1HB       ALA  40  -5.111   3.499  -2.417
  299   2HB   ALA  40          2HB       ALA  40  -4.113   4.943  -2.280
  300   3HB   ALA  40          3HB       ALA  40  -3.652   3.657  -3.395
  301    H    GLN  41           H        GLN  41  -3.986   4.251  -6.190
  302    HA   GLN  41           HA       GLN  41  -2.068   6.310  -6.398
  303   1HB   GLN  41          2HB       GLN  41  -2.525   4.235  -7.996
  304   2HB   GLN  41          1HB       GLN  41  -3.532   5.371  -8.882
  305   1HG   GLN  41          2HG       GLN  41  -0.551   5.627  -8.329
  306   2HG   GLN  41          1HG       GLN  41  -1.348   5.418  -9.886
  307   1HE2  GLN  41          1HE2      GLN  41  -2.666   7.260 -10.705
  308   2HE2  GLN  41          2HE2      GLN  41  -2.348   8.833 -10.150
  309    H    LYS  42           H        LYS  42  -5.460   6.241  -7.332
  310    HA   LYS  42           HA       LYS  42  -5.381   8.983  -8.404
  311   1HB   LYS  42          2HB       LYS  42  -7.953   7.526  -7.820
  312   2HB   LYS  42          1HB       LYS  42  -7.547   8.601  -9.161
  313   1HG   LYS  42          2HG       LYS  42  -6.448   5.807  -8.782
  314   2HG   LYS  42          1HG       LYS  42  -7.704   6.288  -9.922
  315   1HD   LYS  42          2HD       LYS  42  -5.968   8.042 -10.765
  316   2HD   LYS  42          1HD       LYS  42  -4.786   7.052  -9.914
  317   1HE   LYS  42          2HE       LYS  42  -6.707   5.826 -11.892
  318   2HE   LYS  42          1HE       LYS  42  -5.200   6.570 -12.394
  319   1HZ   LYS  42          1HZ       LYS  42  -4.843   4.824 -10.168
  320   2HZ   LYS  42          2HZ       LYS  42  -4.031   4.849 -11.660
  321   3HZ   LYS  42          3HZ       LYS  42  -5.502   4.014 -11.505
  322    H    ALA  43           H        ALA  43  -5.551   7.779  -5.248
  323    HA   ALA  43           HA       ALA  43  -6.294  10.389  -4.205
  324   1HB   ALA  43          1HB       ALA  43  -8.206   8.055  -3.901
  325   2HB   ALA  43          2HB       ALA  43  -8.547   9.621  -4.637
  326   3HB   ALA  43          3HB       ALA  43  -8.269   9.504  -2.900
  327    H    THR  44           H        THR  44  -4.920  10.575  -2.456
  328    HA   THR  44           HA       THR  44  -4.665   8.248  -0.632
  329    HB   THR  44           HB       THR  44  -2.029   9.298  -0.880
  330    HG1  THR  44           1HG      THR  44  -3.007   8.647  -3.422
  331   1HG2  THR  44          1HG2      THR  44  -1.416   7.142  -1.381
  332   2HG2  THR  44          2HG2      THR  44  -2.821   6.873  -2.409
  333   3HG2  THR  44          3HG2      THR  44  -2.985   6.838  -0.654
  334    HA   PRO  45           HA       PRO  45  -4.653  10.774   2.941
  335   1HB   PRO  45          2HB       PRO  45  -1.657  10.362   3.110
  336   2HB   PRO  45          1HB       PRO  45  -2.873  10.358   4.408
  337   1HG   PRO  45          2HG       PRO  45  -2.030   8.080   3.409
  338   2HG   PRO  45          1HG       PRO  45  -3.748   8.321   3.750
  339   1HD   PRO  45          2HD       PRO  45  -2.359   8.247   1.110
  340   2HD   PRO  45          1HD       PRO  45  -4.017   7.759   1.518
  341    HA   PRO  46           HA       PRO  46  -2.205  14.530   1.593
  342   1HB   PRO  46          2HB       PRO  46   0.090  14.271   0.138
  343   2HB   PRO  46          1HB       PRO  46   0.023  13.865   1.865
  344   1HG   PRO  46          2HG       PRO  46   0.362  12.066  -0.390
  345   2HG   PRO  46          1HG       PRO  46   0.453  11.701   1.344
  346   1HD   PRO  46          2HD       PRO  46  -1.850  11.426  -0.517
  347   2HD   PRO  46          1HD       PRO  46  -1.496  10.528   0.978
  348    H    LYS  47           H        LYS  47  -3.338  12.454  -0.732
  349    HA   LYS  47           HA       LYS  47  -4.137  12.730  -2.897
  350   1HB   LYS  47          2HB       LYS  47  -4.010  15.697  -2.360
  351   2HB   LYS  47          1HB       LYS  47  -5.070  14.854  -3.471
  352   1HG   LYS  47          2HG       LYS  47  -6.610  14.984  -1.780
  353   2HG   LYS  47          1HG       LYS  47  -5.748  13.601  -1.119
  354   1HD   LYS  47          2HD       LYS  47  -4.637  14.894   0.491
  355   2HD   LYS  47          1HD       LYS  47  -4.808  16.391  -0.423
  356   1HE   LYS  47          2HE       LYS  47  -7.246  16.359   0.017
  357   2HE   LYS  47          1HE       LYS  47  -7.047  14.884   0.963
  358   1HZ   LYS  47          1HZ       LYS  47  -5.764  16.012   2.556
  359   2HZ   LYS  47          2HZ       LYS  47  -7.085  17.033   2.243
  360   3HZ   LYS  47          3HZ       LYS  47  -5.565  17.375   1.567
  361    H    LEU  48           H        LEU  48  -2.685  12.281  -4.532
  362    HA   LEU  48           HA       LEU  48  -0.089  13.429  -4.699
  363   1HB   LEU  48          2HB       LEU  48  -0.883  11.337  -5.895
  364   2HB   LEU  48          1HB       LEU  48  -1.774  12.359  -7.005
  365    HG   LEU  48           HG       LEU  48   0.445  11.544  -7.859
  366   1HD1  LEU  48          1HD1      LEU  48   0.574  13.332  -9.210
  367   2HD1  LEU  48          2HD1      LEU  48   0.946  14.438  -7.907
  368   3HD1  LEU  48          3HD1      LEU  48  -0.733  14.022  -8.271
  369   1HD2  LEU  48          1HD2      LEU  48   1.778  13.578  -6.092
  370   2HD2  LEU  48          2HD2      LEU  48   2.484  12.203  -6.940
  371   3HD2  LEU  48          3HD2      LEU  48   1.507  11.938  -5.496
  372    H    GLU  49           H        GLU  49  -3.184  14.649  -5.416
  373    HA   GLU  49           HA       GLU  49  -2.091  16.844  -7.118
  374   1HB   GLU  49          2HB       GLU  49  -4.987  16.274  -6.456
  375   2HB   GLU  49          1HB       GLU  49  -4.350  17.269  -7.769
  376   1HG   GLU  49          2HG       GLU  49  -3.281  15.250  -8.755
  377   2HG   GLU  49          1HG       GLU  49  -3.994  14.266  -7.476
  378    H    ASP  50           H        ASP  50  -4.673  16.785  -4.639
  379    HA   ASP  50           HA       ASP  50  -5.070  18.192  -2.812
  380   1HB   ASP  50          2HB       ASP  50  -2.594  17.536  -2.359
  381   2HB   ASP  50          1HB       ASP  50  -2.204  19.125  -2.995
  382    H    LYS  51           H        LYS  51  -3.300  19.454  -5.575
  383    HA   LYS  51           HA       LYS  51  -5.087  21.722  -5.839
  384   1HB   LYS  51          2HB       LYS  51  -3.127  23.378  -5.785
  385   2HB   LYS  51          1HB       LYS  51  -3.703  22.797  -4.226
  386   1HG   LYS  51          2HG       LYS  51  -1.675  20.945  -5.163
  387   2HG   LYS  51          1HG       LYS  51  -1.039  22.580  -5.327
  388   1HD   LYS  51          2HD       LYS  51  -1.537  23.050  -2.974
  389   2HD   LYS  51          1HD       LYS  51  -2.260  21.453  -2.789
  390   1HE   LYS  51          2HE       LYS  51   0.146  21.645  -1.993
  391   2HE   LYS  51          1HE       LYS  51  -0.156  20.360  -3.163
  392   1HZ   LYS  51          1HZ       LYS  51   0.933  21.466  -4.807
  393   2HZ   LYS  51          2HZ       LYS  51   1.807  22.047  -3.471
  394   3HZ   LYS  51          3HZ       LYS  51   0.592  23.003  -4.173
  395    H    SER  52           H        SER  52  -1.670  21.585  -6.799
  396    HA   SER  52           HA       SER  52  -2.094  20.291  -9.309
  397   1HB   SER  52          2HB       SER  52  -2.218  23.297  -9.220
  398   2HB   SER  52          1HB       SER  52  -1.632  22.470 -10.661
  399    HG   SER  52           HG       SER  52  -4.160  22.784  -9.751
  400    HA   PRO  53           HA       PRO  53   2.265  20.910  -7.507
  401   1HB   PRO  53          2HB       PRO  53   2.200  17.984  -8.211
  402   2HB   PRO  53          1HB       PRO  53   2.926  18.784  -6.810
  403   1HG   PRO  53          2HG       PRO  53   0.661  17.484  -6.547
  404   2HG   PRO  53          1HG       PRO  53   0.872  19.053  -5.748
  405   1HD   PRO  53          2HD       PRO  53  -0.660  18.411  -8.259
  406   2HD   PRO  53          1HD       PRO  53  -1.084  19.508  -6.931
  407    H    ASP  54           H        ASP  54   1.938  18.340  -9.942
  408    HA   ASP  54           HA       ASP  54   3.334  20.049 -11.950
  409   1HB   ASP  54          2HB       ASP  54   4.143  17.167 -11.534
  410   2HB   ASP  54          1HB       ASP  54   5.049  18.483 -12.297
  411    H    SER  55           H        SER  55   2.335  16.632 -11.728
  412    HA   SER  55           HA       SER  55   0.322  15.743 -12.675
  413   1HB   SER  55          2HB       SER  55  -0.783  16.606 -14.585
  414   2HB   SER  55          1HB       SER  55  -0.423  17.985 -13.559
  415    HG   SER  55           HG       SER  55   0.069  18.249 -15.831
  416    HA   PRO  56           HA       PRO  56   3.078  14.242 -16.346
  417   1HB   PRO  56          2HB       PRO  56   5.763  15.248 -15.520
  418   2HB   PRO  56          1HB       PRO  56   5.040  15.192 -17.141
  419   1HG   PRO  56          2HG       PRO  56   5.367  17.497 -15.821
  420   2HG   PRO  56          1HG       PRO  56   3.966  17.210 -16.871
  421   1HD   PRO  56          2HD       PRO  56   4.122  17.109 -13.873
  422   2HD   PRO  56          1HD       PRO  56   2.854  17.759 -14.918
  423    H    GLU  57           H        GLU  57   4.381  14.888 -13.142
  424    HA   GLU  57           HA       GLU  57   5.824  12.499 -12.671
  425   1HB   GLU  57          2HB       GLU  57   5.640  14.621 -11.210
  426   2HB   GLU  57          1HB       GLU  57   4.151  13.915 -10.584
  427   1HG   GLU  57          2HG       GLU  57   5.328  11.969  -9.770
  428   2HG   GLU  57          1HG       GLU  57   6.823  12.483 -10.558
  429    H    MET  58           H        MET  58   2.596  13.241 -11.410
  430    HA   MET  58           HA       MET  58   1.139  11.527 -10.462
  431   1HB   MET  58          2HB       MET  58   0.033  12.797 -12.137
  432   2HB   MET  58          1HB       MET  58   0.808  11.896 -13.430
  433   1HG   MET  58          2HG       MET  58  -0.766  10.255 -11.492
  434   2HG   MET  58          1HG       MET  58  -1.709  11.344 -12.503
  435   1HE   MET  58          1HE       MET  58  -2.074   7.747 -13.854
  436   2HE   MET  58          2HE       MET  58  -2.970   9.247 -14.075
  437   3HE   MET  58          3HE       MET  58  -2.415   8.790 -12.467
  438    H    LYS  59           H        LYS  59   1.781   9.993 -13.636
  439    HA   LYS  59           HA       LYS  59   1.431   7.392 -12.624
  440   1HB   LYS  59          2HB       LYS  59   1.906   8.346 -15.123
  441   2HB   LYS  59          1HB       LYS  59   3.497   7.680 -14.777
  442   1HG   LYS  59          2HG       LYS  59   2.573   5.708 -15.540
  443   2HG   LYS  59          1HG       LYS  59   1.896   5.591 -13.911
  444   1HD   LYS  59          2HD       LYS  59  -0.151   6.739 -14.704
  445   2HD   LYS  59          1HD       LYS  59   0.527   6.829 -16.329
  446   1HE   LYS  59          2HE       LYS  59   0.612   4.405 -16.480
  447   2HE   LYS  59          1HE       LYS  59   0.083   4.257 -14.804
  448   1HZ   LYS  59          1HZ       LYS  59  -1.516   5.625 -16.891
  449   2HZ   LYS  59          2HZ       LYS  59  -2.020   5.155 -15.338
  450   3HZ   LYS  59          3HZ       LYS  59  -1.698   3.980 -16.523
  451    H    ASP  60           H        ASP  60   4.417   9.328 -12.814
  452    HA   ASP  60           HA       ASP  60   6.244   7.371 -11.892
  453   1HB   ASP  60          2HB       ASP  60   6.150  10.335 -11.222
  454   2HB   ASP  60          1HB       ASP  60   7.545   9.286 -10.978
  455    H    PHE  61           H        PHE  61   3.856   9.375 -10.210
  456    HA   PHE  61           HA       PHE  61   4.582   8.692  -7.533
  457   1HB   PHE  61          2HB       PHE  61   2.702  10.315  -8.378
  458   2HB   PHE  61          1HB       PHE  61   1.683   8.880  -8.400
  459    HD1  PHE  61           1HD      PHE  61   0.431   8.476  -6.472
  460    HD2  PHE  61           2HD      PHE  61   4.220  10.475  -6.113
  461    HE1  PHE  61           1HE      PHE  61   0.084   8.697  -4.033
  462    HE2  PHE  61           2HE      PHE  61   3.873  10.683  -3.669
  463    HZ   PHE  61           HZ       PHE  61   1.805   9.796  -2.628
  464    H    ARG  62           H        ARG  62   2.749   7.006 -10.034
  465    HA   ARG  62           HA       ARG  62   1.903   4.724  -8.576
  466   1HB   ARG  62          2HB       ARG  62   1.627   5.458 -11.152
  467   2HB   ARG  62          1HB       ARG  62   2.999   4.371 -11.360
  468   1HG   ARG  62          2HG       ARG  62   1.598   2.665  -9.973
  469   2HG   ARG  62          1HG       ARG  62   0.246   3.755 -10.314
  470   1HD   ARG  62          2HD       ARG  62   0.087   2.285 -12.108
  471   2HD   ARG  62          1HD       ARG  62   1.066   3.571 -12.806
  472    HE   ARG  62           HE       ARG  62   2.890   1.752 -11.695
  473   1HH1  ARG  62          1HH2      ARG  62   0.335   1.792 -14.008
  474   2HH1  ARG  62          2HH2      ARG  62   1.028   0.547 -14.995
  475   1HH2  ARG  62          1HH1      ARG  62   3.813   0.127 -12.974
  476   2HH2  ARG  62          2HH1      ARG  62   2.995  -0.397 -14.408
  477    H    HIS  63           H        HIS  63   5.046   5.723  -9.804
  478    HA   HIS  63           HA       HIS  63   6.416   3.247  -9.597
  479   1HB   HIS  63          2HB       HIS  63   7.272   5.573 -10.441
  480   2HB   HIS  63          1HB       HIS  63   7.694   5.855  -8.753
  481    HD1  HIS  63           1HD      HIS  63   8.822   4.100 -11.790
  482    HD2  HIS  63           2HD      HIS  63   9.604   3.890  -7.703
  483    HE1  HIS  63           1HE      HIS  63  10.948   2.748 -11.538
  484    H    GLY  64           H        GLY  64   5.572   5.673  -7.158
  485   1HA   GLY  64          2HA       GLY  64   6.974   4.380  -4.978
  486   2HA   GLY  64          1HA       GLY  64   5.682   5.570  -4.800
  487    H    PHE  65           H        PHE  65   3.589   4.332  -6.087
  488    HA   PHE  65           HA       PHE  65   2.711   2.370  -4.127
  489   1HB   PHE  65          2HB       PHE  65   1.630   3.795  -6.494
  490   2HB   PHE  65          1HB       PHE  65   0.939   2.195  -6.269
  491    HD1  PHE  65           1HD      PHE  65   1.282   5.564  -4.904
  492    HD2  PHE  65           2HD      PHE  65  -0.312   1.651  -4.263
  493    HE1  PHE  65           1HE      PHE  65  -0.163   6.447  -3.129
  494    HE2  PHE  65           2HE      PHE  65  -1.778   2.519  -2.475
  495    HZ   PHE  65           HZ       PHE  65  -1.713   4.912  -1.906
  496    H    ASP  66           H        ASP  66   3.692   2.256  -7.528
  497    HA   ASP  66           HA       ASP  66   3.114  -0.356  -8.175
  498   1HB   ASP  66          2HB       ASP  66   4.156   1.238  -9.742
  499   2HB   ASP  66          1HB       ASP  66   5.678   1.114  -8.857
  500    H    ILE  67           H        ILE  67   5.950   0.857  -6.385
  501    HA   ILE  67           HA       ILE  67   7.227  -1.678  -5.996
  502    HB   ILE  67           HB       ILE  67   7.306   0.838  -4.309
  503   1HG1  ILE  67          2HG1      ILE  67   7.952   0.821  -6.895
  504   2HG1  ILE  67          1HG1      ILE  67   8.955   1.662  -5.732
  505   1HG2  ILE  67          1HG2      ILE  67   9.025  -1.646  -4.387
  506   2HG2  ILE  67          2HG2      ILE  67   8.225  -0.911  -2.998
  507   3HG2  ILE  67          3HG2      ILE  67   9.619  -0.120  -3.731
  508   1HD1  ILE  67          1HD1      ILE  67  10.572  -0.089  -5.704
  509   2HD1  ILE  67          2HD1      ILE  67  10.162   0.137  -7.404
  510   3HD1  ILE  67          3HD1      ILE  67   9.473  -1.213  -6.503
  511    H    LEU  68           H        LEU  68   5.602   0.281  -3.464
  512    HA   LEU  68           HA       LEU  68   5.364  -1.828  -1.627
  513   1HB   LEU  68          2HB       LEU  68   4.082  -0.390  -0.311
  514   2HB   LEU  68          1HB       LEU  68   4.931   0.735  -1.365
  515    HG   LEU  68           HG       LEU  68   2.759   0.411  -2.887
  516   1HD1  LEU  68          1HD1      LEU  68   0.738   0.390  -1.357
  517   2HD1  LEU  68          2HD1      LEU  68   1.796  -0.176  -0.070
  518   3HD1  LEU  68          3HD1      LEU  68   1.545  -1.165  -1.504
  519   1HD2  LEU  68          1HD2      LEU  68   2.860   2.183  -0.405
  520   2HD2  LEU  68          2HD2      LEU  68   1.830   2.460  -1.810
  521   3HD2  LEU  68          3HD2      LEU  68   3.584   2.565  -1.967
  522    H    VAL  69           H        VAL  69   3.176  -0.999  -4.301
  523    HA   VAL  69           HA       VAL  69   1.114  -2.857  -3.556
  524    HB   VAL  69           HB       VAL  69   1.891  -1.630  -6.212
  525   1HG1  VAL  69          1HG1      VAL  69  -0.449  -2.326  -6.872
  526   2HG1  VAL  69          2HG1      VAL  69  -0.452  -3.368  -5.453
  527   3HG1  VAL  69          3HG1      VAL  69   0.715  -3.643  -6.744
  528   1HG2  VAL  69          1HG2      VAL  69   0.077  -0.123  -5.777
  529   2HG2  VAL  69          2HG2      VAL  69   1.042  -0.192  -4.304
  530   3HG2  VAL  69          3HG2      VAL  69  -0.467  -1.085  -4.403
  531    H    GLY  70           H        GLY  70   4.203  -3.213  -5.131
  532   1HA   GLY  70          2HA       GLY  70   3.669  -5.709  -6.466
  533   2HA   GLY  70          1HA       GLY  70   5.266  -5.077  -6.079
  534    H    GLN  71           H        GLN  71   5.126  -4.981  -3.275
  535    HA   GLN  71           HA       GLN  71   5.511  -7.789  -2.705
  536   1HB   GLN  71          2HB       GLN  71   6.307  -7.116  -0.603
  537   2HB   GLN  71          1HB       GLN  71   6.710  -5.765  -1.633
  538   1HG   GLN  71          2HG       GLN  71   5.725  -4.638   0.149
  539   2HG   GLN  71          1HG       GLN  71   4.331  -4.854  -0.908
  540   1HE2  GLN  71          1HE2      GLN  71   5.924  -7.350   1.076
  541   2HE2  GLN  71          2HE2      GLN  71   4.574  -7.678   2.058
  542    H    ILE  72           H        ILE  72   2.779  -5.637  -2.402
  543    HA   ILE  72           HA       ILE  72   1.346  -7.048  -0.362
  544    HB   ILE  72           HB       ILE  72   0.470  -5.388  -2.744
  545   1HG1  ILE  72          2HG1      ILE  72   0.102  -5.051   0.247
  546   2HG1  ILE  72          1HG1      ILE  72   1.393  -4.319  -0.695
  547   1HG2  ILE  72          1HG2      ILE  72  -1.295  -6.929  -0.819
  548   2HG2  ILE  72          2HG2      ILE  72  -1.316  -7.006  -2.581
  549   3HG2  ILE  72          3HG2      ILE  72  -1.880  -5.564  -1.757
  550   1HD1  ILE  72          1HD1      ILE  72  -0.666  -3.432  -2.166
  551   2HD1  ILE  72          2HD1      ILE  72  -0.153  -2.572  -0.720
  552   3HD1  ILE  72          3HD1      ILE  72  -1.530  -3.664  -0.648
  553    H    ASP  73           H        ASP  73   0.983  -7.240  -3.913
  554    HA   ASP  73           HA       ASP  73  -0.589  -9.595  -3.960
  555   1HB   ASP  73          2HB       ASP  73  -0.106  -9.697  -6.313
  556   2HB   ASP  73          1HB       ASP  73  -0.193  -7.992  -5.882
  557    H    ASP  74           H        ASP  74   2.934  -9.185  -3.733
  558    HA   ASP  74           HA       ASP  74   3.513 -11.881  -4.470
  559   1HB   ASP  74          2HB       ASP  74   5.250 -10.160  -4.341
  560   2HB   ASP  74          1HB       ASP  74   5.037 -10.058  -2.587
  561    H    ALA  75           H        ALA  75   2.185 -10.498  -1.561
  562    HA   ALA  75           HA       ALA  75   2.748 -12.826   0.088
  563   1HB   ALA  75          1HB       ALA  75   2.043 -10.522   0.956
  564   2HB   ALA  75          2HB       ALA  75   1.228 -11.913   1.669
  565   3HB   ALA  75          3HB       ALA  75   0.408 -10.946   0.441
  566    H    LEU  76           H        LEU  76   0.330 -11.732  -2.161
  567    HA   LEU  76           HA       LEU  76  -1.692 -13.726  -1.841
  568   1HB   LEU  76          2HB       LEU  76  -1.540 -11.553  -3.321
  569   2HB   LEU  76          1HB       LEU  76  -0.836 -12.613  -4.530
  570    HG   LEU  76           HG       LEU  76  -3.502 -13.143  -3.196
  571   1HD1  LEU  76          1HD1      LEU  76  -2.821 -11.562  -5.675
  572   2HD1  LEU  76          2HD1      LEU  76  -3.858 -11.088  -4.331
  573   3HD1  LEU  76          3HD1      LEU  76  -4.400 -12.319  -5.470
  574   1HD2  LEU  76          1HD2      LEU  76  -2.070 -14.257  -5.620
  575   2HD2  LEU  76          2HD2      LEU  76  -3.799 -14.481  -5.361
  576   3HD2  LEU  76          3HD2      LEU  76  -2.645 -15.133  -4.205
  577    H    LYS  77           H        LYS  77   1.313 -13.567  -3.624
  578    HA   LYS  77           HA       LYS  77   1.196 -16.062  -4.974
  579   1HB   LYS  77          2HB       LYS  77   2.750 -13.957  -5.191
  580   2HB   LYS  77          1HB       LYS  77   3.748 -14.789  -4.007
  581   1HG   LYS  77          2HG       LYS  77   3.863 -16.751  -5.509
  582   2HG   LYS  77          1HG       LYS  77   2.879 -15.882  -6.685
  583   1HD   LYS  77          2HD       LYS  77   4.968 -15.290  -7.514
  584   2HD   LYS  77          1HD       LYS  77   4.800 -13.995  -6.319
  585   1HE   LYS  77          2HE       LYS  77   6.953 -14.924  -5.925
  586   2HE   LYS  77          1HE       LYS  77   5.930 -15.615  -4.665
  587   1HZ   LYS  77          1HZ       LYS  77   5.597 -17.409  -6.585
  588   2HZ   LYS  77          2HZ       LYS  77   6.828 -17.520  -5.418
  589   3HZ   LYS  77          3HZ       LYS  77   7.169 -16.896  -6.962
  590    H    LEU  78           H        LEU  78   2.764 -15.110  -1.966
  591    HA   LEU  78           HA       LEU  78   3.804 -17.644  -1.261
  592   1HB   LEU  78          2HB       LEU  78   3.329 -14.989  -0.093
  593   2HB   LEU  78          1HB       LEU  78   3.379 -16.262   1.085
  594    HG   LEU  78           HG       LEU  78   5.573 -17.022   0.074
  595   1HD1  LEU  78          1HD1      LEU  78   5.240 -14.384  -1.387
  596   2HD1  LEU  78          2HD1      LEU  78   5.332 -15.985  -2.121
  597   3HD1  LEU  78          3HD1      LEU  78   6.744 -15.303  -1.313
  598   1HD2  LEU  78          1HD2      LEU  78   5.594 -15.730   2.109
  599   2HD2  LEU  78          2HD2      LEU  78   5.327 -14.232   1.218
  600   3HD2  LEU  78          3HD2      LEU  78   6.856 -15.096   1.055
  601    H    ALA  79           H        ALA  79   0.886 -15.981  -0.001
  602    HA   ALA  79           HA       ALA  79  -0.145 -17.932   1.649
  603   1HB   ALA  79          1HB       ALA  79  -2.265 -16.934   1.377
  604   2HB   ALA  79          2HB       ALA  79  -1.958 -16.524  -0.311
  605   3HB   ALA  79          3HB       ALA  79  -1.140 -15.636   0.974
  606    H    ASN  80           H        ASN  80  -0.233 -17.940  -1.909
  607    HA   ASN  80           HA       ASN  80  -1.963 -20.243  -2.121
  608   1HB   ASN  80          2HB       ASN  80   0.192 -19.666  -4.153
  609   2HB   ASN  80          1HB       ASN  80  -1.454 -20.247  -4.411
  610   1HD2  ASN  80          1HD2      ASN  80  -2.861 -18.276  -2.815
  611   2HD2  ASN  80          2HD2      ASN  80  -2.659 -16.775  -3.568
  612    H    GLU  81           H        GLU  81   1.442 -19.764  -1.531
  613    HA   GLU  81           HA       GLU  81   2.087 -22.621  -1.869
  614   1HB   GLU  81          2HB       GLU  81   3.677 -20.639  -2.324
  615   2HB   GLU  81          1HB       GLU  81   3.829 -20.511  -0.573
  616   1HG   GLU  81          2HG       GLU  81   4.746 -22.723  -0.402
  617   2HG   GLU  81          1HG       GLU  81   4.343 -23.090  -2.080
  618    H    GLY  82           H        GLY  82   0.308 -21.105   0.350
  619   1HA   GLY  82          2HA       GLY  82  -0.461 -22.019   2.403
  620   2HA   GLY  82          1HA       GLY  82   0.929 -23.097   2.422
  621    H    LYS  83           H        LYS  83   0.999 -19.524   2.160
  622    HA   LYS  83           HA       LYS  83   2.671 -19.485   4.647
  623   1HB   LYS  83          2HB       LYS  83   2.195 -17.329   2.584
  624   2HB   LYS  83          1HB       LYS  83   3.371 -17.269   3.892
  625   1HG   LYS  83          2HG       LYS  83   3.425 -18.933   1.394
  626   2HG   LYS  83          1HG       LYS  83   4.677 -17.888   2.033
  627   1HD   LYS  83          2HD       LYS  83   4.882 -19.523   3.978
  628   2HD   LYS  83          1HD       LYS  83   3.871 -20.623   3.034
  629   1HE   LYS  83          2HE       LYS  83   6.186 -21.164   2.585
  630   2HE   LYS  83          1HE       LYS  83   5.515 -20.398   1.145
  631   1HZ   LYS  83          1HZ       LYS  83   7.716 -19.588   2.653
  632   2HZ   LYS  83          2HZ       LYS  83   6.511 -18.407   2.854
  633   3HZ   LYS  83          3HZ       LYS  83   7.044 -18.826   1.295
  634    H    VAL  84           H        VAL  84   0.239 -19.881   5.467
  635    HA   VAL  84           HA       VAL  84  -1.554 -17.680   5.624
  636    HB   VAL  84           HB       VAL  84  -1.101 -19.718   7.818
  637   1HG1  VAL  84          1HG1      VAL  84  -3.605 -18.293   6.867
  638   2HG1  VAL  84          2HG1      VAL  84  -2.643 -17.787   8.257
  639   3HG1  VAL  84          3HG1      VAL  84  -3.464 -19.348   8.274
  640   1HG2  VAL  84          1HG2      VAL  84  -2.736 -21.118   6.596
  641   2HG2  VAL  84          2HG2      VAL  84  -1.278 -20.856   5.637
  642   3HG2  VAL  84          3HG2      VAL  84  -2.745 -19.944   5.282
  643    H    LYS  85           H        LYS  85   1.090 -18.621   7.833
  644    HA   LYS  85           HA       LYS  85   0.669 -16.329   9.558
  645   1HB   LYS  85          2HB       LYS  85   3.019 -16.990  10.421
  646   2HB   LYS  85          1HB       LYS  85   1.691 -18.106  10.690
  647   1HG   LYS  85          2HG       LYS  85   3.036 -19.703   9.769
  648   2HG   LYS  85          1HG       LYS  85   2.720 -18.951   8.219
  649   1HD   LYS  85          2HD       LYS  85   4.705 -17.370   8.830
  650   2HD   LYS  85          1HD       LYS  85   5.097 -18.591  10.033
  651   1HE   LYS  85          2HE       LYS  85   5.221 -20.311   8.289
  652   2HE   LYS  85          1HE       LYS  85   4.766 -19.125   7.066
  653   1HZ   LYS  85          1HZ       LYS  85   7.292 -19.716   7.730
  654   2HZ   LYS  85          2HZ       LYS  85   7.010 -18.367   8.725
  655   3HZ   LYS  85          3HZ       LYS  85   6.809 -18.242   7.043
  656    H    GLU  86           H        GLU  86   3.276 -17.153   7.312
  657    HA   GLU  86           HA       GLU  86   4.649 -14.700   7.430
  658   1HB   GLU  86          2HB       GLU  86   4.624 -17.118   5.821
  659   2HB   GLU  86          1HB       GLU  86   4.880 -15.720   4.769
  660   1HG   GLU  86          2HG       GLU  86   6.465 -16.180   7.314
  661   2HG   GLU  86          1HG       GLU  86   6.992 -16.765   5.738
  662    H    ALA  87           H        ALA  87   1.921 -15.670   5.346
  663    HA   ALA  87           HA       ALA  87   1.875 -13.296   3.759
  664   1HB   ALA  87          1HB       ALA  87  -0.500 -13.864   3.329
  665   2HB   ALA  87          2HB       ALA  87  -0.442 -15.058   4.626
  666   3HB   ALA  87          3HB       ALA  87   0.539 -15.280   3.177
  667    H    GLN  88           H        GLN  88   0.271 -14.087   6.854
  668    HA   GLN  88           HA       GLN  88  -1.069 -11.553   7.103
  669   1HB   GLN  88          2HB       GLN  88  -0.393 -13.817   8.956
  670   2HB   GLN  88          1HB       GLN  88  -0.790 -12.274   9.703
  671   1HG   GLN  88          2HG       GLN  88  -2.885 -12.209   8.342
  672   2HG   GLN  88          1HG       GLN  88  -2.513 -13.836   7.765
  673   1HE2  GLN  88          1HE2      GLN  88  -3.065 -15.575   9.125
  674   2HE2  GLN  88          2HE2      GLN  88  -3.662 -15.400  10.704
  675    H    ALA  89           H        ALA  89   2.124 -12.713   8.183
  676    HA   ALA  89           HA       ALA  89   2.874 -10.397   9.660
  677   1HB   ALA  89          1HB       ALA  89   5.142 -11.147   9.406
  678   2HB   ALA  89          2HB       ALA  89   4.752 -12.032   7.931
  679   3HB   ALA  89          3HB       ALA  89   4.151 -12.604   9.487
  680    H    ALA  90           H        ALA  90   3.055 -11.161   6.204
  681    HA   ALA  90           HA       ALA  90   4.420  -8.770   5.401
  682   1HB   ALA  90          1HB       ALA  90   2.376 -10.433   3.888
  683   2HB   ALA  90          2HB       ALA  90   4.122 -10.679   3.868
  684   3HB   ALA  90          3HB       ALA  90   3.429  -9.218   3.163
  685    H    ALA  91           H        ALA  91   1.161  -9.461   6.365
  686    HA   ALA  91           HA       ALA  91  -0.151  -7.177   5.246
  687   1HB   ALA  91          1HB       ALA  91  -1.084  -9.322   6.473
  688   2HB   ALA  91          2HB       ALA  91  -1.974  -7.813   6.567
  689   3HB   ALA  91          3HB       ALA  91  -0.957  -8.319   7.914
  690    H    GLU  92           H        GLU  92   1.461  -7.711   8.377
  691    HA   GLU  92           HA       GLU  92   0.939  -5.092   9.420
  692   1HB   GLU  92          2HB       GLU  92   2.823  -7.329  10.079
  693   2HB   GLU  92          1HB       GLU  92   3.161  -5.746  10.776
  694   1HG   GLU  92          2HG       GLU  92   1.215  -5.731  12.057
  695   2HG   GLU  92          1HG       GLU  92   0.353  -6.810  10.961
  696    H    GLN  93           H        GLN  93   3.047  -6.211   6.978
  697    HA   GLN  93           HA       GLN  93   5.016  -4.085   7.246
  698   1HB   GLN  93          2HB       GLN  93   6.131  -5.322   5.670
  699   2HB   GLN  93          1HB       GLN  93   4.859  -6.509   5.868
  700   1HG   GLN  93          2HG       GLN  93   5.032  -6.154   3.531
  701   2HG   GLN  93          1HG       GLN  93   3.597  -5.245   3.982
  702   1HE2  GLN  93          1HE2      GLN  93   5.570  -3.220   5.324
  703   2HE2  GLN  93          2HE2      GLN  93   6.108  -2.281   4.007
  704    H    LEU  94           H        LEU  94   2.139  -4.650   5.235
  705    HA   LEU  94           HA       LEU  94   2.403  -2.113   3.929
  706   1HB   LEU  94          2HB       LEU  94   0.937  -4.369   3.407
  707   2HB   LEU  94          1HB       LEU  94  -0.313  -3.292   4.022
  708    HG   LEU  94           HG       LEU  94  -0.163  -3.090   1.596
  709   1HD1  LEU  94          1HD1      LEU  94  -0.116  -0.769   1.442
  710   2HD1  LEU  94          2HD1      LEU  94   1.166  -0.614   2.637
  711   3HD1  LEU  94          3HD1      LEU  94  -0.463  -1.046   3.147
  712   1HD2  LEU  94          1HD2      LEU  94   1.827  -2.464   0.422
  713   2HD2  LEU  94          2HD2      LEU  94   2.292  -3.787   1.484
  714   3HD2  LEU  94          3HD2      LEU  94   2.701  -2.127   1.892
  715    H    LYS  95           H        LYS  95   0.671  -3.160   6.813
  716    HA   LYS  95           HA       LYS  95  -0.861  -0.786   7.223
  717   1HB   LYS  95          2HB       LYS  95   0.456  -2.640   9.239
  718   2HB   LYS  95          1HB       LYS  95  -0.683  -1.368   9.677
  719   1HG   LYS  95          2HG       LYS  95  -2.449  -2.411   8.373
  720   2HG   LYS  95          1HG       LYS  95  -1.321  -3.597   7.727
  721   1HD   LYS  95          2HD       LYS  95  -2.229  -4.882   9.429
  722   2HD   LYS  95          1HD       LYS  95  -0.937  -4.120  10.346
  723   1HE   LYS  95          2HE       LYS  95  -2.838  -2.230  10.679
  724   2HE   LYS  95          1HE       LYS  95  -3.880  -3.637  10.457
  725   1HZ   LYS  95          1HZ       LYS  95  -1.652  -3.429  12.409
  726   2HZ   LYS  95          2HZ       LYS  95  -2.671  -4.772  12.203
  727   3HZ   LYS  95          3HZ       LYS  95  -3.301  -3.303  12.780
  728    H    THR  96           H        THR  96   2.284  -1.654   8.669
  729    HA   THR  96           HA       THR  96   2.867   1.008   9.569
  730    HB   THR  96           HB       THR  96   4.973  -1.073   8.969
  731    HG1  THR  96           1HG      THR  96   4.421  -2.053  10.895
  732   1HG2  THR  96          1HG2      THR  96   6.157  -0.055  10.738
  733   2HG2  THR  96          2HG2      THR  96   4.708   0.717  11.382
  734   3HG2  THR  96          3HG2      THR  96   5.433   1.309   9.887
  735    H    THR  97           H        THR  97   3.329  -0.588   6.457
  736    HA   THR  97           HA       THR  97   5.453   0.864   5.369
  737    HB   THR  97           HB       THR  97   2.840   0.123   4.040
  738    HG1  THR  97           1HG      THR  97   4.975  -1.135   3.118
  739   1HG2  THR  97          1HG2      THR  97   4.231   0.403   1.909
  740   2HG2  THR  97          2HG2      THR  97   5.347   1.338   2.901
  741   3HG2  THR  97          3HG2      THR  97   3.684   1.883   2.696
  742    H    ILE  98           H        ILE  98   2.010   1.831   5.300
  743    HA   ILE  98           HA       ILE  98   2.411   4.466   4.324
  744    HB   ILE  98           HB       ILE  98   0.275   3.115   5.964
  745   1HG1  ILE  98          2HG1      ILE  98  -0.776   4.278   3.576
  746   2HG1  ILE  98          1HG1      ILE  98   0.770   3.574   3.116
  747   1HG2  ILE  98          1HG2      ILE  98   0.467   6.044   5.378
  748   2HG2  ILE  98          2HG2      ILE  98   0.014   5.244   6.872
  749   3HG2  ILE  98          3HG2      ILE  98  -1.099   5.262   5.506
  750   1HD1  ILE  98          1HD1      ILE  98  -1.578   2.182   4.425
  751   2HD1  ILE  98          2HD1      ILE  98   0.023   1.451   4.306
  752   3HD1  ILE  98          3HD1      ILE  98  -0.872   1.857   2.842
  753    H    ARG  99           H        ARG  99   1.951   3.448   7.761
  754    HA   ARG  99           HA       ARG  99   2.489   6.014   8.810
  755   1HB   ARG  99          2HB       ARG  99   1.676   3.703   9.863
  756   2HB   ARG  99          1HB       ARG  99   3.374   3.558  10.299
  757   1HG   ARG  99          2HG       ARG  99   1.664   5.983  10.942
  758   2HG   ARG  99          1HG       ARG  99   1.932   4.641  12.031
  759   1HD   ARG  99          2HD       ARG  99   3.666   5.976  12.768
  760   2HD   ARG  99          1HD       ARG  99   4.518   5.219  11.425
  761    HE   ARG  99           HE       ARG  99   3.207   7.471  10.359
  762   1HH1  ARG  99          1HH2      ARG  99   5.556   6.694  12.761
  763   2HH1  ARG  99          2HH2      ARG  99   6.410   8.192  12.599
  764   1HH2  ARG  99          1HH1      ARG  99   4.311   9.431  10.133
  765   2HH2  ARG  99          2HH1      ARG  99   5.706   9.740  11.111
  766    H    ALA 100           H        ALA 100   4.795   3.283   8.369
  767    HA   ALA 100           HA       ALA 100   7.086   4.688   9.338
  768   1HB   ALA 100          1HB       ALA 100   8.340   3.022   7.785
  769   2HB   ALA 100          2HB       ALA 100   6.740   2.364   7.445
  770   3HB   ALA 100          3HB       ALA 100   7.363   2.356   9.094
  771    H    TYR 101           H        TYR 101   5.511   4.670   6.233
  772    HA   TYR 101           HA       TYR 101   7.597   6.048   4.763
  773   1HB   TYR 101          2HB       TYR 101   4.681   5.425   4.306
  774   2HB   TYR 101          1HB       TYR 101   5.477   6.588   3.258
  775    HD1  TYR 101           1HD      TYR 101   7.349   3.745   4.700
  776    HD2  TYR 101           2HD      TYR 101   5.162   5.162   1.269
  777    HE1  TYR 101           1HE      TYR 101   8.285   1.906   3.344
  778    HE2  TYR 101           2HE      TYR 101   6.109   3.310  -0.080
  779    HH   TYR 101           HH       TYR 101   7.452   1.552  -0.106
  780    H    ASN 102           H        ASN 102   5.644   6.887   7.270
  781    HA   ASN 102           HA       ASN 102   5.441   8.999   8.355
  782   1HB   ASN 102          2HB       ASN 102   7.239   9.914   6.694
  783   2HB   ASN 102          1HB       ASN 102   5.867  10.401   5.696
  784   1HD2  ASN 102          1HD2      ASN 102   4.286  11.920   6.649
  785   2HD2  ASN 102          2HD2      ASN 102   4.775  12.964   7.899
  786    H    GLN 103           H        GLN 103   3.349   7.638   8.022
  787    HA   GLN 103           HA       GLN 103   1.167   7.431   7.290
  788   1HB   GLN 103          2HB       GLN 103   1.723  10.303   7.785
  789   2HB   GLN 103          1HB       GLN 103   0.215   9.937   6.941
  790   1HG   GLN 103          2HG       GLN 103   1.063   8.619   9.538
  791   2HG   GLN 103          1HG       GLN 103   0.009  10.036   9.471
  792   1HE2  GLN 103          1HE2      GLN 103  -0.571   8.135   6.729
  793   2HE2  GLN 103          2HE2      GLN 103  -1.878   7.239   7.307
  794    H    LYS 104           H        LYS 104   2.634   6.738   5.400
  795    HA   LYS 104           HA       LYS 104   2.947   6.463   3.153
  796   1HB   LYS 104          2HB       LYS 104   0.656   6.066   3.088
  797   2HB   LYS 104          1HB       LYS 104   0.255   7.735   3.382
  798   1HG   LYS 104          2HG       LYS 104  -0.105   6.887   1.007
  799   2HG   LYS 104          1HG       LYS 104   0.859   8.371   1.140
  800   1HD   LYS 104          2HD       LYS 104   2.903   7.136   0.775
  801   2HD   LYS 104          1HD       LYS 104   2.114   5.593   1.117
  802   1HE   LYS 104          2HE       LYS 104   0.738   5.878  -0.937
  803   2HE   LYS 104          1HE       LYS 104   1.603   7.374  -1.290
  804   1HZ   LYS 104          1HZ       LYS 104   3.340   6.252  -2.067
  805   2HZ   LYS 104          2HZ       LYS 104   2.347   4.874  -2.070
  806   3HZ   LYS 104          3HZ       LYS 104   3.366   5.187  -0.746
  807    H    TYR 105           H        TYR 105   1.436   9.747   2.988
  808    HA   TYR 105           HA       TYR 105   4.134  10.839   2.444
  809   1HB   TYR 105          2HB       TYR 105   2.226  10.319   0.318
  810   2HB   TYR 105          1HB       TYR 105   2.494  12.053   0.449
  811    HD1  TYR 105           1HD      TYR 105   4.353   8.812   0.221
  812    HD2  TYR 105           2HD      TYR 105   4.409  13.045  -0.476
  813    HE1  TYR 105           1HE      TYR 105   6.515   8.583  -0.956
  814    HE2  TYR 105           2HE      TYR 105   6.576  12.819  -1.658
  815    HH   TYR 105           HH       TYR 105   8.576  10.419  -1.386
  816    H    GLY 106           H        GLY 106   1.523  11.033   4.230
  817   1HA   GLY 106          2HA       GLY 106   0.878  13.873   4.031
  818   2HA   GLY 106          1HA       GLY 106   0.341  12.777   5.305
  Start of MODEL   11
    1    HA   ALA   1           HA       ALA   1 -18.068   6.158  -1.821
    2   1HB   ALA   1          1HB       ALA   1 -20.364   7.073  -1.140
    3   2HB   ALA   1          2HB       ALA   1 -19.587   7.814  -2.539
    4   3HB   ALA   1          3HB       ALA   1 -19.563   8.634  -0.978
    5    H    ASP   2           H        ASP   2 -17.431   8.642   0.628
    6    HA   ASP   2           HA       ASP   2 -15.687  10.213  -1.106
    7   1HB   ASP   2          2HB       ASP   2 -16.054  10.150   1.906
    8   2HB   ASP   2          1HB       ASP   2 -15.011  11.299   1.066
    9    H    LEU   3           H        LEU   3 -13.361  10.581   0.273
   10    HA   LEU   3           HA       LEU   3 -11.680   8.528  -0.513
   11   1HB   LEU   3          2HB       LEU   3 -11.488  10.471   1.771
   12   2HB   LEU   3          1HB       LEU   3 -10.196   9.317   1.461
   13    HG   LEU   3           HG       LEU   3 -11.263  11.306  -0.571
   14   1HD1  LEU   3          1HD1      LEU   3  -9.304  12.605  -0.134
   15   2HD1  LEU   3          2HD1      LEU   3  -8.609  11.333   0.871
   16   3HD1  LEU   3          3HD1      LEU   3 -10.012  12.240   1.438
   17   1HD2  LEU   3          1HD2      LEU   3  -9.222   9.100  -0.669
   18   2HD2  LEU   3          2HD2      LEU   3  -8.840  10.590  -1.529
   19   3HD2  LEU   3          3HD2      LEU   3 -10.294   9.692  -1.940
   20    H    GLU   4           H        GLU   4 -13.893   8.528   2.129
   21    HA   GLU   4           HA       GLU   4 -12.711   6.486   3.759
   22   1HB   GLU   4          2HB       GLU   4 -14.942   6.202   4.698
   23   2HB   GLU   4          1HB       GLU   4 -14.649   7.924   4.457
   24   1HG   GLU   4          2HG       GLU   4 -15.801   7.659   2.189
   25   2HG   GLU   4          1HG       GLU   4 -16.320   6.069   2.750
   26    H    ASP   5           H        ASP   5 -14.469   6.410   0.730
   27    HA   ASP   5           HA       ASP   5 -15.079   3.573   0.904
   28   1HB   ASP   5          2HB       ASP   5 -15.928   3.782  -1.325
   29   2HB   ASP   5          1HB       ASP   5 -16.337   5.300  -0.523
   30    H    ASN   6           H        ASN   6 -12.326   5.451  -0.325
   31    HA   ASN   6           HA       ASN   6 -11.162   3.393  -1.917
   32   1HB   ASN   6          2HB       ASN   6  -9.870   5.303  -2.156
   33   2HB   ASN   6          1HB       ASN   6 -10.200   5.840  -0.513
   34   1HD2  ASN   6          1HD2      ASN   6  -9.009   4.494   1.231
   35   2HD2  ASN   6          2HD2      ASN   6  -7.433   4.001   0.868
   36    H    TRP   7           H        TRP   7 -11.084   4.111   1.523
   37    HA   TRP   7           HA       TRP   7  -9.396   2.017   2.425
   38   1HB   TRP   7          2HB       TRP   7 -11.524   3.770   3.553
   39   2HB   TRP   7          1HB       TRP   7 -11.268   2.280   4.445
   40    HD1  TRP   7           HD       TRP   7  -9.069   5.062   2.906
   41    HE1  TRP   7           1HE      TRP   7  -7.186   5.630   4.571
   42    HE3  TRP   7           3HE      TRP   7 -10.096   1.672   6.579
   43    HZ2  TRP   7           2HZ      TRP   7  -6.240   4.763   7.124
   44    HZ3  TRP   7           3HZ      TRP   7  -8.682   1.555   8.611
   45    HH2  TRP   7           HH       TRP   7  -6.748   3.092   8.883
   46    H    GLU   8           H        GLU   8 -12.874   2.104   1.697
   47    HA   GLU   8           HA       GLU   8 -13.559  -0.472   2.636
   48   1HB   GLU   8          2HB       GLU   8 -15.104   1.373   1.733
   49   2HB   GLU   8          1HB       GLU   8 -14.733   0.730   0.137
   50   1HG   GLU   8          2HG       GLU   8 -15.558  -1.481   0.796
   51   2HG   GLU   8          1HG       GLU   8 -15.858  -0.896   2.434
   52    H    THR   9           H        THR   9 -12.300   0.532  -0.552
   53    HA   THR   9           HA       THR   9 -12.402  -1.998  -1.815
   54    HB   THR   9           HB       THR   9 -10.040  -0.129  -2.192
   55    HG1  THR   9           1HG      THR   9 -12.646   0.257  -3.241
   56   1HG2  THR   9          1HG2      THR   9 -11.748  -1.831  -4.036
   57   2HG2  THR   9          2HG2      THR   9 -10.069  -2.115  -3.578
   58   3HG2  THR   9          3HG2      THR   9 -10.485  -0.731  -4.587
   59    H    LEU  10           H        LEU  10  -9.746  -0.513   0.011
   60    HA   LEU  10           HA       LEU  10  -8.087  -2.843   0.048
   61   1HB   LEU  10          2HB       LEU  10  -8.228  -0.222   1.500
   62   2HB   LEU  10          1HB       LEU  10  -7.242  -1.480   2.231
   63    HG   LEU  10           HG       LEU  10  -6.164  -1.703  -0.139
   64   1HD1  LEU  10          1HD1      LEU  10  -7.944  -0.223  -1.177
   65   2HD1  LEU  10          2HD1      LEU  10  -6.287   0.221  -1.558
   66   3HD1  LEU  10          3HD1      LEU  10  -7.190   1.133  -0.350
   67   1HD2  LEU  10          1HD2      LEU  10  -5.767   0.589   1.779
   68   2HD2  LEU  10          2HD2      LEU  10  -4.720   0.378   0.374
   69   3HD2  LEU  10          3HD2      LEU  10  -4.808  -0.880   1.606
   70    H    ASN  11           H        ASN  11 -10.797  -1.826   2.000
   71    HA   ASN  11           HA       ASN  11 -10.317  -3.379   4.322
   72   1HB   ASN  11          2HB       ASN  11 -12.194  -1.707   3.932
   73   2HB   ASN  11          1HB       ASN  11 -13.020  -2.992   3.036
   74   1HD2  ASN  11          1HD2      ASN  11 -11.067  -4.138   5.662
   75   2HD2  ASN  11          2HD2      ASN  11 -12.323  -4.403   6.764
   76    H    ASP  12           H        ASP  12 -12.500  -4.232   1.650
   77    HA   ASP  12           HA       ASP  12 -12.917  -6.921   2.355
   78   1HB   ASP  12          2HB       ASP  12 -12.812  -5.571  -0.329
   79   2HB   ASP  12          1HB       ASP  12 -13.290  -7.258  -0.148
   80    H    ASN  13           H        ASN  13 -10.118  -5.393   0.933
   81    HA   ASN  13           HA       ASN  13  -9.070  -7.805  -0.222
   82   1HB   ASN  13          2HB       ASN  13  -7.830  -5.193   0.593
   83   2HB   ASN  13          1HB       ASN  13  -6.777  -6.551   0.255
   84   1HD2  ASN  13          1HD2      ASN  13  -9.238  -4.426  -1.203
   85   2HD2  ASN  13          2HD2      ASN  13  -8.823  -4.785  -2.810
   86    H    LEU  14           H        LEU  14  -8.238  -6.197   2.881
   87    HA   LEU  14           HA       LEU  14  -6.680  -8.286   3.976
   88   1HB   LEU  14          2HB       LEU  14  -8.473  -6.200   5.229
   89   2HB   LEU  14          1HB       LEU  14  -7.610  -7.369   6.225
   90    HG   LEU  14           HG       LEU  14  -6.376  -5.254   6.067
   91   1HD1  LEU  14          1HD1      LEU  14  -4.283  -6.168   5.761
   92   2HD1  LEU  14          2HD1      LEU  14  -4.758  -7.131   4.376
   93   3HD1  LEU  14          3HD1      LEU  14  -5.244  -7.617   6.004
   94   1HD2  LEU  14          1HD2      LEU  14  -7.162  -4.497   3.878
   95   2HD2  LEU  14          2HD2      LEU  14  -6.258  -5.779   3.079
   96   3HD2  LEU  14          3HD2      LEU  14  -5.409  -4.500   3.936
   97    H    LYS  15           H        LYS  15 -10.128  -7.814   3.819
   98    HA   LYS  15           HA       LYS  15 -11.026  -9.741   5.664
   99   1HB   LYS  15          2HB       LYS  15 -12.349  -7.998   4.351
  100   2HB   LYS  15          1HB       LYS  15 -12.326  -9.124   2.999
  101   1HG   LYS  15          2HG       LYS  15 -13.340 -10.848   4.571
  102   2HG   LYS  15          1HG       LYS  15 -13.574  -9.536   5.724
  103   1HD   LYS  15          2HD       LYS  15 -15.617  -9.396   4.634
  104   2HD   LYS  15          1HD       LYS  15 -14.683  -8.349   3.564
  105   1HE   LYS  15          2HE       LYS  15 -15.719  -9.818   2.059
  106   2HE   LYS  15          1HE       LYS  15 -14.139 -10.566   2.282
  107   1HZ   LYS  15          1HZ       LYS  15 -15.766 -12.253   2.510
  108   2HZ   LYS  15          2HZ       LYS  15 -16.690 -11.323   3.592
  109   3HZ   LYS  15          3HZ       LYS  15 -15.176 -11.931   4.067
  110    H    VAL  16           H        VAL  16 -10.503 -10.227   2.133
  111    HA   VAL  16           HA       VAL  16 -11.099 -13.005   2.327
  112    HB   VAL  16           HB       VAL  16  -9.973 -11.169   0.250
  113   1HG1  VAL  16          1HG1      VAL  16  -8.549 -13.123  -0.045
  114   2HG1  VAL  16          2HG1      VAL  16  -9.774 -13.131  -1.306
  115   3HG1  VAL  16          3HG1      VAL  16  -9.937 -14.194   0.087
  116   1HG2  VAL  16          1HG2      VAL  16 -11.893 -12.068  -1.028
  117   2HG2  VAL  16          2HG2      VAL  16 -12.397 -11.407   0.529
  118   3HG2  VAL  16          3HG2      VAL  16 -12.262 -13.154   0.314
  119    H    ILE  17           H        ILE  17  -7.820 -11.394   2.121
  120    HA   ILE  17           HA       ILE  17  -6.375 -13.810   2.155
  121    HB   ILE  17           HB       ILE  17  -5.194 -11.807   4.008
  122   1HG1  ILE  17          2HG1      ILE  17  -6.070 -11.019   1.210
  123   2HG1  ILE  17          1HG1      ILE  17  -6.439 -10.204   2.724
  124   1HG2  ILE  17          1HG2      ILE  17  -4.064 -13.728   2.744
  125   2HG2  ILE  17          2HG2      ILE  17  -3.260 -12.160   2.696
  126   3HG2  ILE  17          3HG2      ILE  17  -4.197 -12.714   1.308
  127   1HD1  ILE  17          1HD1      ILE  17  -4.698  -8.862   2.032
  128   2HD1  ILE  17          2HD1      ILE  17  -3.930 -10.155   1.114
  129   3HD1  ILE  17          3HD1      ILE  17  -3.752 -10.094   2.869
  130    H    GLU  18           H        GLU  18  -7.527 -11.943   4.933
  131    HA   GLU  18           HA       GLU  18  -6.742 -13.724   6.981
  132   1HB   GLU  18          2HB       GLU  18  -9.218 -11.979   6.788
  133   2HB   GLU  18          1HB       GLU  18  -8.616 -12.702   8.277
  134   1HG   GLU  18          2HG       GLU  18  -6.583 -11.121   6.770
  135   2HG   GLU  18          1HG       GLU  18  -7.935 -10.170   7.379
  136    H    LYS  19           H        LYS  19  -9.361 -13.897   4.646
  137    HA   LYS  19           HA       LYS  19 -10.259 -16.490   5.878
  138   1HB   LYS  19          2HB       LYS  19 -11.942 -14.362   4.509
  139   2HB   LYS  19          1HB       LYS  19 -12.547 -15.906   5.111
  140   1HG   LYS  19          2HG       LYS  19 -12.398 -15.256   7.341
  141   2HG   LYS  19          1HG       LYS  19 -11.039 -14.180   7.053
  142   1HD   LYS  19          2HD       LYS  19 -13.051 -12.896   7.623
  143   2HD   LYS  19          1HD       LYS  19 -12.548 -12.545   5.969
  144   1HE   LYS  19          2HE       LYS  19 -14.987 -12.910   6.093
  145   2HE   LYS  19          1HE       LYS  19 -14.221 -14.175   5.132
  146   1HZ   LYS  19          1HZ       LYS  19 -14.166 -15.003   7.785
  147   2HZ   LYS  19          2HZ       LYS  19 -15.080 -15.656   6.512
  148   3HZ   LYS  19          3HZ       LYS  19 -15.735 -14.433   7.491
  149    H    ALA  20           H        ALA  20  -8.268 -16.047   3.736
  150    HA   ALA  20           HA       ALA  20  -9.432 -16.482   1.158
  151   1HB   ALA  20          1HB       ALA  20  -7.184 -15.757   1.159
  152   2HB   ALA  20          2HB       ALA  20  -7.090 -17.436   0.635
  153   3HB   ALA  20          3HB       ALA  20  -6.688 -17.006   2.300
  154    H    ASP  21           H        ASP  21  -8.708 -18.668   3.779
  155    HA   ASP  21           HA       ASP  21  -9.300 -20.924   4.069
  156   1HB   ASP  21          2HB       ASP  21 -10.500 -21.019   1.304
  157   2HB   ASP  21          1HB       ASP  21 -11.030 -21.826   2.779
  158    H    ASN  22           H        ASN  22  -7.956 -19.896   0.985
  159    HA   ASN  22           HA       ASN  22  -5.906 -22.002   1.191
  160   1HB   ASN  22          2HB       ASN  22  -7.412 -21.788  -1.418
  161   2HB   ASN  22          1HB       ASN  22  -6.337 -23.073  -0.868
  162   1HD2  ASN  22          1HD2      ASN  22  -9.605 -21.784  -0.628
  163   2HD2  ASN  22          2HD2      ASN  22 -10.264 -23.101   0.218
  164    H    ALA  23           H        ALA  23  -4.034 -21.489  -0.069
  165    HA   ALA  23           HA       ALA  23  -3.392 -18.770  -0.345
  166   1HB   ALA  23          1HB       ALA  23  -1.412 -19.468  -1.423
  167   2HB   ALA  23          2HB       ALA  23  -2.198 -20.859  -2.171
  168   3HB   ALA  23          3HB       ALA  23  -1.856 -20.864  -0.442
  169    H    ALA  24           H        ALA  24  -5.488 -20.629  -2.282
  170    HA   ALA  24           HA       ALA  24  -5.051 -19.341  -4.822
  171   1HB   ALA  24          1HB       ALA  24  -7.407 -20.145  -5.305
  172   2HB   ALA  24          2HB       ALA  24  -7.467 -20.746  -3.647
  173   3HB   ALA  24          3HB       ALA  24  -6.289 -21.408  -4.784
  174    H    GLN  25           H        GLN  25  -7.642 -18.807  -2.379
  175    HA   GLN  25           HA       GLN  25  -8.619 -16.443  -3.681
  176   1HB   GLN  25          2HB       GLN  25  -8.896 -17.505  -0.871
  177   2HB   GLN  25          1HB       GLN  25  -9.665 -16.006  -1.388
  178   1HG   GLN  25          2HG       GLN  25 -11.348 -17.144  -2.435
  179   2HG   GLN  25          1HG       GLN  25 -10.199 -18.124  -3.340
  180   1HE2  GLN  25          1HE2      GLN  25  -9.460 -20.166  -2.321
  181   2HE2  GLN  25          2HE2      GLN  25 -10.376 -20.886  -1.088
  182    H    VAL  26           H        VAL  26  -5.777 -16.952  -1.856
  183    HA   VAL  26           HA       VAL  26  -5.577 -14.301  -0.696
  184    HB   VAL  26           HB       VAL  26  -3.645 -16.560  -1.247
  185   1HG1  VAL  26          1HG1      VAL  26  -1.975 -15.077   0.078
  186   2HG1  VAL  26          2HG1      VAL  26  -3.004 -13.736  -0.428
  187   3HG1  VAL  26          3HG1      VAL  26  -2.213 -14.743  -1.638
  188   1HG2  VAL  26          1HG2      VAL  26  -4.851 -15.301   1.210
  189   2HG2  VAL  26          2HG2      VAL  26  -3.364 -16.233   1.324
  190   3HG2  VAL  26          3HG2      VAL  26  -4.832 -16.992   0.727
  191    H    LYS  27           H        LYS  27  -4.137 -15.888  -3.537
  192    HA   LYS  27           HA       LYS  27  -2.779 -13.696  -4.654
  193   1HB   LYS  27          2HB       LYS  27  -4.320 -15.795  -6.208
  194   2HB   LYS  27          1HB       LYS  27  -2.940 -14.859  -6.782
  195   1HG   LYS  27          2HG       LYS  27  -1.453 -15.953  -5.295
  196   2HG   LYS  27          1HG       LYS  27  -2.756 -16.653  -4.360
  197   1HD   LYS  27          2HD       LYS  27  -1.796 -18.368  -5.805
  198   2HD   LYS  27          1HD       LYS  27  -3.440 -18.000  -6.323
  199   1HE   LYS  27          2HE       LYS  27  -2.735 -16.969  -8.280
  200   2HE   LYS  27          1HE       LYS  27  -1.195 -16.458  -7.587
  201   1HZ   LYS  27          1HZ       LYS  27  -1.707 -19.328  -7.883
  202   2HZ   LYS  27          2HZ       LYS  27  -0.241 -18.472  -7.965
  203   3HZ   LYS  27          3HZ       LYS  27  -1.323 -18.433  -9.271
  204    H    ASP  28           H        ASP  28  -6.130 -14.589  -4.744
  205    HA   ASP  28           HA       ASP  28  -7.076 -12.740  -6.707
  206   1HB   ASP  28          2HB       ASP  28  -8.209 -14.723  -5.223
  207   2HB   ASP  28          1HB       ASP  28  -8.842 -13.339  -4.365
  208    H    ALA  29           H        ALA  29  -7.296 -12.449  -3.163
  209    HA   ALA  29           HA       ALA  29  -8.159  -9.775  -3.088
  210   1HB   ALA  29          1HB       ALA  29  -8.133 -11.161  -1.118
  211   2HB   ALA  29          2HB       ALA  29  -7.181  -9.717  -0.800
  212   3HB   ALA  29          3HB       ALA  29  -6.377 -11.251  -1.143
  213    H    LEU  30           H        LEU  30  -4.761 -10.855  -2.691
  214    HA   LEU  30           HA       LEU  30  -3.653  -8.288  -2.557
  215   1HB   LEU  30          2HB       LEU  30  -2.587 -10.912  -3.573
  216   2HB   LEU  30          1HB       LEU  30  -1.561  -9.460  -3.559
  217    HG   LEU  30           HG       LEU  30  -3.072 -10.346  -1.085
  218   1HD1  LEU  30          1HD1      LEU  30  -0.240 -11.128  -1.800
  219   2HD1  LEU  30          2HD1      LEU  30  -1.621 -12.220  -1.916
  220   3HD1  LEU  30          3HD1      LEU  30  -1.127 -11.581  -0.347
  221   1HD2  LEU  30          1HD2      LEU  30  -0.437  -9.079  -0.758
  222   2HD2  LEU  30          2HD2      LEU  30  -1.994  -8.617  -0.082
  223   3HD2  LEU  30          3HD2      LEU  30  -1.535  -8.061  -1.686
  224    H    THR  31           H        THR  31  -4.695 -10.090  -5.408
  225    HA   THR  31           HA       THR  31  -3.417  -8.389  -7.324
  226    HB   THR  31           HB       THR  31  -5.810 -10.231  -7.449
  227    HG1  THR  31           1HG      THR  31  -3.179 -10.496  -7.631
  228   1HG2  THR  31          1HG2      THR  31  -5.503  -9.934  -9.978
  229   2HG2  THR  31          2HG2      THR  31  -4.625  -8.459  -9.576
  230   3HG2  THR  31          3HG2      THR  31  -6.317  -8.631  -9.115
  231    H    LYS  32           H        LYS  32  -6.449  -8.151  -5.514
  232    HA   LYS  32           HA       LYS  32  -7.427  -5.905  -7.101
  233   1HB   LYS  32          2HB       LYS  32  -8.339  -6.302  -4.258
  234   2HB   LYS  32          1HB       LYS  32  -9.270  -5.804  -5.660
  235   1HG   LYS  32          2HG       LYS  32  -8.165  -8.592  -5.291
  236   2HG   LYS  32          1HG       LYS  32  -9.781  -8.129  -4.808
  237   1HD   LYS  32          2HD       LYS  32 -10.570  -8.072  -6.968
  238   2HD   LYS  32          1HD       LYS  32  -9.074  -7.413  -7.613
  239   1HE   LYS  32          2HE       LYS  32  -8.109  -9.513  -7.907
  240   2HE   LYS  32          1HE       LYS  32  -9.081 -10.267  -6.642
  241   1HZ   LYS  32          1HZ       LYS  32  -9.771 -10.909  -8.892
  242   2HZ   LYS  32          2HZ       LYS  32 -10.136  -9.286  -9.240
  243   3HZ   LYS  32          3HZ       LYS  32 -11.008 -10.118  -8.043
  244    H    MET  33           H        MET  33  -5.499  -6.367  -4.194
  245    HA   MET  33           HA       MET  33  -5.390  -3.650  -3.342
  246   1HB   MET  33          2HB       MET  33  -3.626  -6.052  -3.074
  247   2HB   MET  33          1HB       MET  33  -2.918  -4.495  -2.661
  248   1HG   MET  33          2HG       MET  33  -5.091  -4.197  -1.195
  249   2HG   MET  33          1HG       MET  33  -5.185  -5.952  -1.307
  250   1HE   MET  33          1HE       MET  33  -4.786  -6.339   1.383
  251   2HE   MET  33          2HE       MET  33  -3.169  -7.011   1.531
  252   3HE   MET  33          3HE       MET  33  -4.172  -7.445   0.150
  253    H    ARG  34           H        ARG  34  -3.539  -5.448  -5.813
  254    HA   ARG  34           HA       ARG  34  -1.650  -3.458  -6.482
  255   1HB   ARG  34          2HB       ARG  34  -2.906  -5.760  -7.778
  256   2HB   ARG  34          1HB       ARG  34  -2.547  -4.516  -8.958
  257   1HG   ARG  34          2HG       ARG  34  -0.592  -5.819  -8.934
  258   2HG   ARG  34          1HG       ARG  34  -0.175  -4.482  -7.874
  259   1HD   ARG  34          2HD       ARG  34  -1.233  -7.167  -6.946
  260   2HD   ARG  34          1HD       ARG  34   0.462  -6.700  -6.925
  261    HE   ARG  34           HE       ARG  34  -1.512  -5.942  -4.966
  262   1HH1  ARG  34          1HH2      ARG  34   1.200  -4.761  -6.760
  263   2HH1  ARG  34          2HH2      ARG  34   1.727  -3.697  -5.500
  264   1HH2  ARG  34          1HH1      ARG  34  -0.825  -4.575  -3.325
  265   2HH2  ARG  34          2HH1      ARG  34   0.591  -3.610  -3.549
  266    H    ALA  35           H        ALA  35  -4.976  -3.887  -7.625
  267    HA   ALA  35           HA       ALA  35  -4.985  -1.469  -9.212
  268   1HB   ALA  35          1HB       ALA  35  -7.456  -2.732  -8.031
  269   2HB   ALA  35          2HB       ALA  35  -6.562  -3.524  -9.330
  270   3HB   ALA  35          3HB       ALA  35  -7.265  -1.925  -9.589
  271    H    ALA  36           H        ALA  36  -6.459  -2.243  -6.048
  272    HA   ALA  36           HA       ALA  36  -7.253   0.455  -5.456
  273   1HB   ALA  36          1HB       ALA  36  -6.556  -1.403  -3.214
  274   2HB   ALA  36          2HB       ALA  36  -7.797  -1.938  -4.342
  275   3HB   ALA  36          3HB       ALA  36  -8.005  -0.427  -3.465
  276    H    ALA  37           H        ALA  37  -4.175  -1.136  -5.404
  277    HA   ALA  37           HA       ALA  37  -2.902   0.412  -3.330
  278   1HB   ALA  37          1HB       ALA  37  -1.891  -1.214  -5.653
  279   2HB   ALA  37          2HB       ALA  37  -1.765  -1.552  -3.931
  280   3HB   ALA  37          3HB       ALA  37  -0.778  -0.285  -4.653
  281    H    LEU  38           H        LEU  38  -2.123   0.665  -6.827
  282    HA   LEU  38           HA       LEU  38  -1.055   3.300  -6.462
  283   1HB   LEU  38          2HB       LEU  38  -2.057   2.046  -9.027
  284   2HB   LEU  38          1HB       LEU  38  -1.112   3.535  -8.898
  285    HG   LEU  38           HG       LEU  38   0.236   1.399  -7.423
  286   1HD1  LEU  38          1HD1      LEU  38  -0.831  -0.180  -8.924
  287   2HD1  LEU  38          2HD1      LEU  38   0.856   0.004  -9.405
  288   3HD1  LEU  38          3HD1      LEU  38  -0.416   0.809 -10.325
  289   1HD2  LEU  38          1HD2      LEU  38   2.090   1.992  -8.979
  290   2HD2  LEU  38          2HD2      LEU  38   1.347   3.420  -8.257
  291   3HD2  LEU  38          3HD2      LEU  38   0.962   2.971  -9.919
  292    H    ASP  39           H        ASP  39  -4.311   2.166  -7.025
  293    HA   ASP  39           HA       ASP  39  -5.374   4.629  -8.048
  294   1HB   ASP  39          2HB       ASP  39  -6.580   2.357  -7.892
  295   2HB   ASP  39          1HB       ASP  39  -6.872   2.754  -6.199
  296    H    ALA  40           H        ALA  40  -4.692   3.370  -4.830
  297    HA   ALA  40           HA       ALA  40  -5.805   5.540  -3.358
  298   1HB   ALA  40          1HB       ALA  40  -4.304   4.841  -1.539
  299   2HB   ALA  40          2HB       ALA  40  -3.380   3.849  -2.666
  300   3HB   ALA  40          3HB       ALA  40  -5.052   3.431  -2.287
  301    H    GLN  41           H        GLN  41  -2.819   5.112  -5.183
  302    HA   GLN  41           HA       GLN  41  -1.273   7.292  -4.255
  303   1HB   GLN  41          2HB       GLN  41  -0.834   5.582  -6.276
  304   2HB   GLN  41          1HB       GLN  41  -1.569   6.859  -7.234
  305   1HG   GLN  41          2HG       GLN  41   0.938   7.086  -5.524
  306   2HG   GLN  41          1HG       GLN  41   0.793   7.264  -7.273
  307   1HE2  GLN  41          1HE2      GLN  41  -1.209   9.013  -7.718
  308   2HE2  GLN  41          2HE2      GLN  41  -0.975  10.475  -6.889
  309    H    LYS  42           H        LYS  42  -4.020   7.171  -6.454
  310    HA   LYS  42           HA       LYS  42  -4.095  10.126  -6.706
  311   1HB   LYS  42          2HB       LYS  42  -5.806   7.916  -7.891
  312   2HB   LYS  42          1HB       LYS  42  -6.061   9.630  -8.191
  313   1HG   LYS  42          2HG       LYS  42  -3.325   8.504  -8.667
  314   2HG   LYS  42          1HG       LYS  42  -4.585   8.181  -9.853
  315   1HD   LYS  42          2HD       LYS  42  -4.888  10.456 -10.371
  316   2HD   LYS  42          1HD       LYS  42  -4.146  11.000  -8.869
  317   1HE   LYS  42          2HE       LYS  42  -2.550  11.420 -10.598
  318   2HE   LYS  42          1HE       LYS  42  -1.978  10.010  -9.713
  319   1HZ   LYS  42          1HZ       LYS  42  -2.162  10.037 -12.331
  320   2HZ   LYS  42          2HZ       LYS  42  -3.747   9.538 -11.981
  321   3HZ   LYS  42          3HZ       LYS  42  -2.424   8.625 -11.431
  322    H    ALA  43           H        ALA  43  -4.936   8.161  -4.284
  323    HA   ALA  43           HA       ALA  43  -6.967   9.975  -3.260
  324   1HB   ALA  43          1HB       ALA  43  -7.700   7.171  -4.128
  325   2HB   ALA  43          2HB       ALA  43  -8.483   8.681  -4.591
  326   3HB   ALA  43          3HB       ALA  43  -8.642   8.074  -2.942
  327    H    THR  44           H        THR  44  -5.488  10.126  -1.507
  328    HA   THR  44           HA       THR  44  -5.357   7.699   0.241
  329    HB   THR  44           HB       THR  44  -3.186   7.774  -0.673
  330    HG1  THR  44           1HG      THR  44  -2.035   8.130   1.059
  331   1HG2  THR  44          1HG2      THR  44  -3.682  10.721  -0.780
  332   2HG2  THR  44          2HG2      THR  44  -2.987   9.654  -1.996
  333   3HG2  THR  44          3HG2      THR  44  -2.017  10.181  -0.625
  334    HA   PRO  45           HA       PRO  45  -7.029   9.950   3.621
  335   1HB   PRO  45          2HB       PRO  45  -4.302   9.620   4.886
  336   2HB   PRO  45          1HB       PRO  45  -5.912   9.480   5.627
  337   1HG   PRO  45          2HG       PRO  45  -4.590   7.313   4.866
  338   2HG   PRO  45          1HG       PRO  45  -6.342   7.441   4.622
  339   1HD   PRO  45          2HD       PRO  45  -4.166   7.555   2.604
  340   2HD   PRO  45          1HD       PRO  45  -5.866   7.088   2.392
  341    HA   PRO  46           HA       PRO  46  -4.427  13.851   3.524
  342   1HB   PRO  46          2HB       PRO  46  -1.799  13.720   2.576
  343   2HB   PRO  46          1HB       PRO  46  -2.272  13.458   4.266
  344   1HG   PRO  46          2HG       PRO  46  -1.198  11.524   2.480
  345   2HG   PRO  46          1HG       PRO  46  -1.839  11.245   4.107
  346   1HD   PRO  46          2HD       PRO  46  -3.202  10.915   1.470
  347   2HD   PRO  46          1HD       PRO  46  -3.366   9.952   2.957
  348    H    LYS  47           H        LYS  47  -5.030  12.058   0.879
  349    HA   LYS  47           HA       LYS  47  -5.094  12.423  -1.430
  350   1HB   LYS  47          2HB       LYS  47  -5.656  15.320  -1.183
  351   2HB   LYS  47          1HB       LYS  47  -6.623  14.049  -1.905
  352   1HG   LYS  47          2HG       LYS  47  -7.986  14.554  -0.122
  353   2HG   LYS  47          1HG       LYS  47  -6.988  13.329   0.641
  354   1HD   LYS  47          2HD       LYS  47  -6.272  14.847   2.195
  355   2HD   LYS  47          1HD       LYS  47  -5.654  15.910   0.936
  356   1HE   LYS  47          2HE       LYS  47  -7.315  17.095   2.274
  357   2HE   LYS  47          1HE       LYS  47  -7.942  16.849   0.645
  358   1HZ   LYS  47          1HZ       LYS  47  -9.653  15.774   1.509
  359   2HZ   LYS  47          2HZ       LYS  47  -9.037  15.993   3.076
  360   3HZ   LYS  47          3HZ       LYS  47  -8.614  14.616   2.180
  361    H    LEU  48           H        LEU  48  -2.498  13.080   0.048
  362    HA   LEU  48           HA       LEU  48  -0.495  14.242  -0.301
  363   1HB   LEU  48          2HB       LEU  48  -0.628  12.359  -2.042
  364   2HB   LEU  48          1HB       LEU  48  -1.055  13.596  -3.212
  365    HG   LEU  48           HG       LEU  48   1.362  13.076  -3.277
  366   1HD1  LEU  48          1HD1      LEU  48   1.171  15.828  -2.064
  367   2HD1  LEU  48          2HD1      LEU  48   0.379  15.471  -3.594
  368   3HD1  LEU  48          3HD1      LEU  48   2.117  15.279  -3.445
  369   1HD2  LEU  48          1HD2      LEU  48   1.753  14.338  -0.571
  370   2HD2  LEU  48          2HD2      LEU  48   2.794  13.239  -1.461
  371   3HD2  LEU  48          3HD2      LEU  48   1.344  12.623  -0.674
  372    H    GLU  49           H        GLU  49  -1.939  15.210  -3.427
  373    HA   GLU  49           HA       GLU  49  -1.193  17.970  -2.994
  374   1HB   GLU  49          2HB       GLU  49  -3.330  16.945  -4.880
  375   2HB   GLU  49          1HB       GLU  49  -2.445  18.462  -4.991
  376   1HG   GLU  49          2HG       GLU  49  -1.384  17.032  -6.563
  377   2HG   GLU  49          1HG       GLU  49  -0.319  17.025  -5.161
  378    H    ASP  50           H        ASP  50  -2.113  18.602  -1.011
  379    HA   ASP  50           HA       ASP  50  -5.053  18.356  -0.636
  380   1HB   ASP  50          2HB       ASP  50  -3.661  17.873   1.303
  381   2HB   ASP  50          1HB       ASP  50  -2.849  19.433   1.154
  382    H    LYS  51           H        LYS  51  -2.858  20.452  -2.013
  383    HA   LYS  51           HA       LYS  51  -4.814  22.519  -2.467
  384   1HB   LYS  51          2HB       LYS  51  -3.467  24.353  -1.372
  385   2HB   LYS  51          1HB       LYS  51  -4.260  23.262  -0.241
  386   1HG   LYS  51          2HG       LYS  51  -1.780  22.023  -0.635
  387   2HG   LYS  51          1HG       LYS  51  -1.369  23.735  -0.675
  388   1HD   LYS  51          2HD       LYS  51  -2.473  24.079   1.493
  389   2HD   LYS  51          1HD       LYS  51  -2.952  22.383   1.534
  390   1HE   LYS  51          2HE       LYS  51  -0.903  22.808   2.883
  391   2HE   LYS  51          1HE       LYS  51  -0.606  21.686   1.554
  392   1HZ   LYS  51          1HZ       LYS  51   0.643  24.138   2.065
  393   2HZ   LYS  51          2HZ       LYS  51  -0.218  24.289   0.609
  394   3HZ   LYS  51          3HZ       LYS  51   0.936  23.056   0.793
  395    H    SER  52           H        SER  52  -1.265  22.587  -2.110
  396    HA   SER  52           HA       SER  52  -0.670  22.062  -4.810
  397   1HB   SER  52          2HB       SER  52  -1.197  24.910  -4.058
  398   2HB   SER  52          1HB       SER  52   0.085  24.579  -5.220
  399    HG   SER  52           HG       SER  52  -2.677  24.189  -5.409
  400    HA   PRO  53           HA       PRO  53   2.704  22.154  -1.507
  401   1HB   PRO  53          2HB       PRO  53   3.178  19.436  -2.674
  402   2HB   PRO  53          1HB       PRO  53   3.105  19.932  -0.977
  403   1HG   PRO  53          2HG       PRO  53   1.122  18.554  -2.089
  404   2HG   PRO  53          1HG       PRO  53   0.789  19.848  -0.920
  405   1HD   PRO  53          2HD       PRO  53   0.562  19.919  -3.922
  406   2HD   PRO  53          1HD       PRO  53  -0.527  20.602  -2.694
  407    H    ASP  54           H        ASP  54   3.356  20.148  -4.359
  408    HA   ASP  54           HA       ASP  54   5.273  22.183  -5.389
  409   1HB   ASP  54          2HB       ASP  54   6.032  19.262  -5.184
  410   2HB   ASP  54          1HB       ASP  54   7.086  20.667  -5.400
  411    H    SER  55           H        SER  55   4.317  18.818  -6.048
  412    HA   SER  55           HA       SER  55   2.815  18.138  -7.775
  413   1HB   SER  55          2HB       SER  55   2.415  19.291  -9.781
  414   2HB   SER  55          1HB       SER  55   2.467  20.540  -8.551
  415    HG   SER  55           HG       SER  55   3.682  21.068 -10.423
  416    HA   PRO  56           HA       PRO  56   6.724  17.009 -10.384
  417   1HB   PRO  56          2HB       PRO  56   8.928  17.862  -8.564
  418   2HB   PRO  56          1HB       PRO  56   8.814  18.006 -10.330
  419   1HG   PRO  56          2HG       PRO  56   8.606  20.138  -8.726
  420   2HG   PRO  56          1HG       PRO  56   7.660  19.999 -10.223
  421   1HD   PRO  56          2HD       PRO  56   6.776  19.546  -7.386
  422   2HD   PRO  56          1HD       PRO  56   5.936  20.336  -8.722
  423    H    GLU  57           H        GLU  57   6.782  17.227  -6.873
  424    HA   GLU  57           HA       GLU  57   8.071  14.765  -6.263
  425   1HB   GLU  57          2HB       GLU  57   7.454  16.684  -4.668
  426   2HB   GLU  57          1HB       GLU  57   5.828  16.008  -4.653
  427   1HG   GLU  57          2HG       GLU  57   7.060  15.134  -2.743
  428   2HG   GLU  57          1HG       GLU  57   6.778  13.829  -3.890
  429    H    MET  58           H        MET  58   4.592  15.374  -5.862
  430    HA   MET  58           HA       MET  58   2.973  13.557  -5.639
  431   1HB   MET  58          2HB       MET  58   2.357  15.076  -7.377
  432   2HB   MET  58          1HB       MET  58   3.488  14.342  -8.504
  433   1HG   MET  58          2HG       MET  58   2.174  12.300  -8.593
  434   2HG   MET  58          1HG       MET  58   1.160  12.847  -7.261
  435   1HE   MET  58          1HE       MET  58   0.906  12.222 -10.901
  436   2HE   MET  58          2HE       MET  58   2.342  13.237 -10.785
  437   3HE   MET  58          3HE       MET  58   0.933  13.814 -11.672
  438    H    LYS  59           H        LYS  59   4.434  12.541  -8.732
  439    HA   LYS  59           HA       LYS  59   3.963   9.809  -8.332
  440   1HB   LYS  59          2HB       LYS  59   4.971  11.140 -10.413
  441   2HB   LYS  59          1HB       LYS  59   6.504  10.587  -9.748
  442   1HG   LYS  59          2HG       LYS  59   6.105   8.674 -10.966
  443   2HG   LYS  59          1HG       LYS  59   5.014   8.239  -9.643
  444   1HD   LYS  59          2HD       LYS  59   3.154   9.376 -10.881
  445   2HD   LYS  59          1HD       LYS  59   4.263   9.670 -12.222
  446   1HE   LYS  59          2HE       LYS  59   4.524   7.336 -12.645
  447   2HE   LYS  59          1HE       LYS  59   3.771   6.901 -11.109
  448   1HZ   LYS  59          1HZ       LYS  59   1.862   8.383 -12.267
  449   2HZ   LYS  59          2HZ       LYS  59   1.938   6.688 -12.354
  450   3HZ   LYS  59          3HZ       LYS  59   2.550   7.636 -13.625
  451    H    ASP  60           H        ASP  60   6.790  11.724  -7.338
  452    HA   ASP  60           HA       ASP  60   8.365   9.602  -6.311
  453   1HB   ASP  60          2HB       ASP  60   8.002  12.435  -5.281
  454   2HB   ASP  60          1HB       ASP  60   9.252  11.330  -4.713
  455    H    PHE  61           H        PHE  61   5.513  11.298  -5.076
  456    HA   PHE  61           HA       PHE  61   5.539  10.164  -2.456
  457   1HB   PHE  61          2HB       PHE  61   3.886  11.935  -3.367
  458   2HB   PHE  61          1HB       PHE  61   2.976  10.583  -4.031
  459    HD1  PHE  61           1HD      PHE  61   1.205   9.837  -2.716
  460    HD2  PHE  61           2HD      PHE  61   4.716  11.400  -0.769
  461    HE1  PHE  61           1HE      PHE  61   0.173   9.450  -0.506
  462    HE2  PHE  61           2HE      PHE  61   3.673  10.988   1.433
  463    HZ   PHE  61           HZ       PHE  61   1.400  10.013   1.568
  464    H    ARG  62           H        ARG  62   4.584   8.899  -5.616
  465    HA   ARG  62           HA       ARG  62   3.455   6.417  -4.848
  466   1HB   ARG  62          2HB       ARG  62   3.989   7.452  -7.253
  467   2HB   ARG  62          1HB       ARG  62   5.476   6.518  -7.087
  468   1HG   ARG  62          2HG       ARG  62   3.809   4.560  -6.403
  469   2HG   ARG  62          1HG       ARG  62   2.627   5.567  -7.245
  470   1HD   ARG  62          2HD       ARG  62   3.329   4.684  -9.213
  471   2HD   ARG  62          1HD       ARG  62   4.923   5.386  -8.959
  472    HE   ARG  62           HE       ARG  62   4.919   3.081  -7.399
  473   1HH1  ARG  62          1HH2      ARG  62   4.328   3.930 -10.689
  474   2HH1  ARG  62          2HH2      ARG  62   4.858   2.404 -11.314
  475   1HH2  ARG  62          1HH1      ARG  62   5.606   1.086  -8.199
  476   2HH2  ARG  62          2HH1      ARG  62   5.579   0.794  -9.905
  477    H    HIS  63           H        HIS  63   6.801   7.588  -4.870
  478    HA   HIS  63           HA       HIS  63   8.144   5.135  -4.398
  479   1HB   HIS  63          2HB       HIS  63   9.157   7.520  -4.641
  480   2HB   HIS  63          1HB       HIS  63   8.864   7.674  -2.909
  481    HD1  HIS  63           1HD      HIS  63  10.351   4.918  -5.121
  482    HD2  HIS  63           2HD      HIS  63  11.139   6.920  -1.548
  483    HE1  HIS  63           1HE      HIS  63  12.502   3.942  -4.210
  484    H    GLY  64           H        GLY  64   6.230   7.203  -2.293
  485   1HA   GLY  64          2HA       GLY  64   6.814   5.789   0.172
  486   2HA   GLY  64          1HA       GLY  64   5.430   6.852  -0.097
  487    H    PHE  65           H        PHE  65   4.050   5.671  -2.099
  488    HA   PHE  65           HA       PHE  65   2.785   3.384  -0.826
  489   1HB   PHE  65          2HB       PHE  65   2.439   5.037  -3.283
  490   2HB   PHE  65          1HB       PHE  65   1.842   3.391  -3.422
  491    HD1  PHE  65           1HD      PHE  65   1.385   6.649  -1.841
  492    HD2  PHE  65           2HD      PHE  65   0.047   2.580  -1.964
  493    HE1  PHE  65           1HE      PHE  65  -0.689   7.297  -0.676
  494    HE2  PHE  65           2HE      PHE  65  -2.048   3.226  -0.795
  495    HZ   PHE  65           HZ       PHE  65  -2.420   5.597  -0.161
  496    H    ASP  66           H        ASP  66   4.754   3.835  -3.753
  497    HA   ASP  66           HA       ASP  66   4.758   1.309  -4.827
  498   1HB   ASP  66          2HB       ASP  66   6.020   3.322  -5.684
  499   2HB   ASP  66          1HB       ASP  66   7.281   2.949  -4.509
  500    H    ILE  67           H        ILE  67   6.804   2.474  -2.139
  501    HA   ILE  67           HA       ILE  67   8.236   0.052  -1.699
  502    HB   ILE  67           HB       ILE  67   7.401   2.274   0.176
  503   1HG1  ILE  67          2HG1      ILE  67   8.969   2.561  -1.975
  504   2HG1  ILE  67          1HG1      ILE  67   9.335   3.381  -0.468
  505   1HG2  ILE  67          1HG2      ILE  67   7.937   0.445   1.591
  506   2HG2  ILE  67          2HG2      ILE  67   9.409   1.414   1.521
  507   3HG2  ILE  67          3HG2      ILE  67   9.278  -0.061   0.563
  508   1HD1  ILE  67          1HD1      ILE  67  11.042   1.832   0.091
  509   2HD1  ILE  67          2HD1      ILE  67  11.257   2.105  -1.640
  510   3HD1  ILE  67          3HD1      ILE  67  10.451   0.642  -1.069
  511    H    LEU  68           H        LEU  68   5.551   1.327   0.323
  512    HA   LEU  68           HA       LEU  68   5.072  -1.134   1.631
  513   1HB   LEU  68          2HB       LEU  68   3.268  -0.075   2.644
  514   2HB   LEU  68          1HB       LEU  68   4.178   1.317   2.072
  515    HG   LEU  68           HG       LEU  68   2.725   1.210  -0.036
  516   1HD1  LEU  68          1HD1      LEU  68   1.300  -0.536  -0.211
  517   2HD1  LEU  68          2HD1      LEU  68   0.340   0.201   1.060
  518   3HD1  LEU  68          3HD1      LEU  68   1.546  -1.019   1.463
  519   1HD2  LEU  68          1HD2      LEU  68   2.527   2.951   1.704
  520   2HD2  LEU  68          2HD2      LEU  68   1.483   1.898   2.656
  521   3HD2  LEU  68          3HD2      LEU  68   0.927   2.514   1.099
  522    H    VAL  69           H        VAL  69   3.706   0.127  -1.407
  523    HA   VAL  69           HA       VAL  69   1.896  -2.073  -1.839
  524    HB   VAL  69           HB       VAL  69   3.197  -0.078  -3.718
  525   1HG1  VAL  69          1HG1      VAL  69   2.599  -2.031  -5.021
  526   2HG1  VAL  69          2HG1      VAL  69   1.409  -0.768  -5.316
  527   3HG1  VAL  69          3HG1      VAL  69   1.021  -2.106  -4.241
  528   1HG2  VAL  69          1HG2      VAL  69   0.962   0.965  -3.683
  529   2HG2  VAL  69          2HG2      VAL  69   1.616   0.857  -2.052
  530   3HG2  VAL  69          3HG2      VAL  69   0.389  -0.288  -2.583
  531    H    GLY  70           H        GLY  70   5.331  -1.703  -2.218
  532   1HA   GLY  70          2HA       GLY  70   5.715  -3.737  -4.241
  533   2HA   GLY  70          1HA       GLY  70   6.970  -3.059  -3.217
  534    H    GLN  71           H        GLN  71   6.227  -3.854  -0.679
  535    HA   GLN  71           HA       GLN  71   6.906  -6.660  -0.802
  536   1HB   GLN  71          2HB       GLN  71   6.730  -6.582   1.674
  537   2HB   GLN  71          1HB       GLN  71   7.687  -5.269   1.045
  538   1HG   GLN  71          2HG       GLN  71   6.321  -4.093   2.518
  539   2HG   GLN  71          1HG       GLN  71   5.392  -3.951   1.029
  540   1HE2  GLN  71          1HE2      GLN  71   5.132  -7.145   1.808
  541   2HE2  GLN  71          2HE2      GLN  71   3.715  -7.107   2.748
  542    H    ILE  72           H        ILE  72   3.904  -4.902  -0.456
  543    HA   ILE  72           HA       ILE  72   2.284  -6.965   0.606
  544    HB   ILE  72           HB       ILE  72   1.743  -4.737  -1.363
  545   1HG1  ILE  72          2HG1      ILE  72   2.534  -4.399   1.127
  546   2HG1  ILE  72          1HG1      ILE  72   1.223  -3.432   0.497
  547   1HG2  ILE  72          1HG2      ILE  72  -0.174  -6.627   0.013
  548   2HG2  ILE  72          2HG2      ILE  72  -0.021  -6.295  -1.714
  549   3HG2  ILE  72          3HG2      ILE  72  -0.663  -5.061  -0.634
  550   1HD1  ILE  72          1HD1      ILE  72  -0.397  -4.575   1.708
  551   2HD1  ILE  72          2HD1      ILE  72   0.971  -4.629   2.820
  552   3HD1  ILE  72          3HD1      ILE  72   0.578  -6.036   1.839
  553    H    ASP  73           H        ASP  73   2.817  -6.093  -2.837
  554    HA   ASP  73           HA       ASP  73   1.456  -8.380  -3.900
  555   1HB   ASP  73          2HB       ASP  73   2.760  -7.932  -5.962
  556   2HB   ASP  73          1HB       ASP  73   2.075  -6.456  -5.299
  557    H    ASP  74           H        ASP  74   4.836  -7.865  -2.839
  558    HA   ASP  74           HA       ASP  74   5.771 -10.346  -3.864
  559   1HB   ASP  74          2HB       ASP  74   7.275  -8.587  -3.007
  560   2HB   ASP  74          1HB       ASP  74   6.698  -8.902  -1.365
  561    H    ALA  75           H        ALA  75   3.627  -9.601  -1.285
  562    HA   ALA  75           HA       ALA  75   3.989 -12.118   0.131
  563   1HB   ALA  75          1HB       ALA  75   2.037 -11.565   1.346
  564   2HB   ALA  75          2HB       ALA  75   1.429 -10.511   0.067
  565   3HB   ALA  75          3HB       ALA  75   2.810 -10.009   1.045
  566    H    LEU  76           H        LEU  76   2.161 -10.792  -2.510
  567    HA   LEU  76           HA       LEU  76   0.365 -12.935  -3.111
  568   1HB   LEU  76          2HB       LEU  76   0.625 -10.504  -4.093
  569   2HB   LEU  76          1HB       LEU  76   1.754 -11.245  -5.217
  570    HG   LEU  76           HG       LEU  76  -1.095 -12.156  -4.790
  571   1HD1  LEU  76          1HD1      LEU  76   0.145 -10.268  -6.791
  572   2HD1  LEU  76          2HD1      LEU  76  -1.287 -10.014  -5.795
  573   3HD1  LEU  76          3HD1      LEU  76  -1.346 -11.138  -7.152
  574   1HD2  LEU  76          1HD2      LEU  76   1.133 -12.981  -6.644
  575   2HD2  LEU  76          2HD2      LEU  76  -0.553 -13.213  -7.110
  576   3HD2  LEU  76          3HD2      LEU  76   0.072 -13.988  -5.661
  577    H    LYS  77           H        LYS  77   3.688 -12.214  -3.988
  578    HA   LYS  77           HA       LYS  77   4.204 -14.407  -5.703
  579   1HB   LYS  77          2HB       LYS  77   5.543 -12.248  -5.156
  580   2HB   LYS  77          1HB       LYS  77   6.216 -13.180  -3.828
  581   1HG   LYS  77          2HG       LYS  77   6.974 -14.890  -5.467
  582   2HG   LYS  77          1HG       LYS  77   6.345 -13.871  -6.762
  583   1HD   LYS  77          2HD       LYS  77   8.563 -13.134  -6.730
  584   2HD   LYS  77          1HD       LYS  77   7.846 -11.989  -5.587
  585   1HE   LYS  77          2HE       LYS  77   9.739 -12.765  -4.433
  586   2HE   LYS  77          1HE       LYS  77   8.458 -13.787  -3.786
  587   1HZ   LYS  77          1HZ       LYS  77  10.632 -14.459  -5.620
  588   2HZ   LYS  77          2HZ       LYS  77   9.150 -15.262  -5.830
  589   3HZ   LYS  77          3HZ       LYS  77   9.972 -15.364  -4.348
  590    H    LEU  78           H        LEU  78   4.663 -13.993  -2.230
  591    HA   LEU  78           HA       LEU  78   5.769 -16.544  -1.672
  592   1HB   LEU  78          2HB       LEU  78   4.635 -14.222  -0.290
  593   2HB   LEU  78          1HB       LEU  78   4.410 -15.703   0.591
  594    HG   LEU  78           HG       LEU  78   6.871 -16.169   0.349
  595   1HD1  LEU  78          1HD1      LEU  78   7.058 -14.568  -1.661
  596   2HD1  LEU  78          2HD1      LEU  78   8.345 -14.487  -0.459
  597   3HD1  LEU  78          3HD1      LEU  78   7.074 -13.264  -0.472
  598   1HD2  LEU  78          1HD2      LEU  78   6.070 -13.572   1.682
  599   2HD2  LEU  78          2HD2      LEU  78   7.533 -14.485   2.042
  600   3HD2  LEU  78          3HD2      LEU  78   5.951 -15.176   2.396
  601    H    ALA  79           H        ALA  79   2.392 -15.367  -1.337
  602    HA   ALA  79           HA       ALA  79   1.167 -17.698  -0.457
  603   1HB   ALA  79          1HB       ALA  79  -0.111 -16.056  -2.642
  604   2HB   ALA  79          2HB       ALA  79   0.127 -15.381  -1.031
  605   3HB   ALA  79          3HB       ALA  79  -0.871 -16.819  -1.247
  606    H    ASN  80           H        ASN  80   2.192 -16.924  -3.791
  607    HA   ASN  80           HA       ASN  80   1.008 -19.268  -4.984
  608   1HB   ASN  80          2HB       ASN  80   3.608 -18.086  -5.969
  609   2HB   ASN  80          1HB       ASN  80   2.285 -18.779  -6.905
  610   1HD2  ASN  80          1HD2      ASN  80   0.103 -17.290  -5.615
  611   2HD2  ASN  80          2HD2      ASN  80   0.300 -15.670  -6.060
  612    H    GLU  81           H        GLU  81   3.846 -18.662  -3.083
  613    HA   GLU  81           HA       GLU  81   5.049 -21.291  -3.668
  614   1HB   GLU  81          2HB       GLU  81   6.288 -19.070  -3.060
  615   2HB   GLU  81          1HB       GLU  81   5.855 -19.459  -1.397
  616   1HG   GLU  81          2HG       GLU  81   8.006 -20.426  -1.705
  617   2HG   GLU  81          1HG       GLU  81   6.883 -21.776  -1.851
  618    H    GLY  82           H        GLY  82   2.380 -20.427  -2.068
  619   1HA   GLY  82          2HA       GLY  82   1.053 -21.809  -0.660
  620   2HA   GLY  82          1HA       GLY  82   2.473 -22.795  -0.328
  621    H    LYS  83           H        LYS  83   2.253 -19.258   0.093
  622    HA   LYS  83           HA       LYS  83   2.928 -19.639   2.978
  623   1HB   LYS  83          2HB       LYS  83   2.909 -17.198   1.188
  624   2HB   LYS  83          1HB       LYS  83   3.406 -17.183   2.869
  625   1HG   LYS  83          2HG       LYS  83   4.821 -18.332   0.495
  626   2HG   LYS  83          1HG       LYS  83   5.473 -17.354   1.794
  627   1HD   LYS  83          2HD       LYS  83   5.172 -19.335   3.329
  628   2HD   LYS  83          1HD       LYS  83   4.785 -20.296   1.895
  629   1HE   LYS  83          2HE       LYS  83   7.173 -20.486   2.482
  630   2HE   LYS  83          1HE       LYS  83   6.955 -19.723   0.908
  631   1HZ   LYS  83          1HZ       LYS  83   8.426 -18.716   2.933
  632   2HZ   LYS  83          2HZ       LYS  83   6.964 -17.869   3.106
  633   3HZ   LYS  83          3HZ       LYS  83   7.813 -17.814   1.635
  634    H    VAL  84           H        VAL  84   0.571 -20.425   2.933
  635    HA   VAL  84           HA       VAL  84  -1.585 -18.582   2.759
  636    HB   VAL  84           HB       VAL  84  -1.303 -21.028   4.529
  637   1HG1  VAL  84          1HG1      VAL  84  -3.157 -19.685   5.293
  638   2HG1  VAL  84          2HG1      VAL  84  -3.825 -21.013   4.341
  639   3HG1  VAL  84          3HG1      VAL  84  -3.698 -19.399   3.637
  640   1HG2  VAL  84          1HG2      VAL  84  -0.963 -21.385   2.061
  641   2HG2  VAL  84          2HG2      VAL  84  -2.572 -20.713   1.791
  642   3HG2  VAL  84          3HG2      VAL  84  -2.383 -22.213   2.700
  643    H    LYS  85           H        LYS  85   0.187 -19.660   5.699
  644    HA   LYS  85           HA       LYS  85  -1.155 -17.724   7.378
  645   1HB   LYS  85          2HB       LYS  85   1.039 -18.398   8.844
  646   2HB   LYS  85          1HB       LYS  85  -0.398 -19.410   8.739
  647   1HG   LYS  85          2HG       LYS  85   0.612 -20.973   7.361
  648   2HG   LYS  85          1HG       LYS  85   1.696 -19.803   6.627
  649   1HD   LYS  85          2HD       LYS  85   3.190 -19.834   8.439
  650   2HD   LYS  85          1HD       LYS  85   1.997 -20.532   9.532
  651   1HE   LYS  85          2HE       LYS  85   3.057 -21.999   7.106
  652   2HE   LYS  85          1HE       LYS  85   3.788 -22.141   8.705
  653   1HZ   LYS  85          1HZ       LYS  85   2.284 -23.882   8.633
  654   2HZ   LYS  85          2HZ       LYS  85   1.100 -22.974   7.819
  655   3HZ   LYS  85          3HZ       LYS  85   1.417 -22.683   9.462
  656    H    GLU  86           H        GLU  86   2.143 -17.925   6.070
  657    HA   GLU  86           HA       GLU  86   3.114 -15.490   7.090
  658   1HB   GLU  86          2HB       GLU  86   3.828 -17.465   5.046
  659   2HB   GLU  86          1HB       GLU  86   4.324 -15.840   4.553
  660   1HG   GLU  86          2HG       GLU  86   5.367 -15.685   6.939
  661   2HG   GLU  86          1HG       GLU  86   5.154 -17.438   6.979
  662    H    ALA  87           H        ALA  87   1.427 -16.143   4.001
  663    HA   ALA  87           HA       ALA  87   1.483 -13.437   3.068
  664   1HB   ALA  87          1HB       ALA  87  -0.377 -14.100   1.600
  665   2HB   ALA  87          2HB       ALA  87  -0.626 -15.561   2.555
  666   3HB   ALA  87          3HB       ALA  87   0.857 -15.359   1.623
  667    H    GLN  88           H        GLN  88  -0.898 -15.223   5.037
  668    HA   GLN  88           HA       GLN  88  -2.745 -13.037   5.282
  669   1HB   GLN  88          2HB       GLN  88  -2.267 -15.612   6.752
  670   2HB   GLN  88          1HB       GLN  88  -3.232 -14.384   7.570
  671   1HG   GLN  88          2HG       GLN  88  -4.781 -14.282   5.720
  672   2HG   GLN  88          1HG       GLN  88  -3.785 -15.374   4.763
  673   1HE2  GLN  88          1HE2      GLN  88  -5.960 -15.232   7.570
  674   2HE2  GLN  88          2HE2      GLN  88  -6.190 -16.907   7.681
  675    H    ALA  89           H        ALA  89   0.074 -14.052   7.190
  676    HA   ALA  89           HA       ALA  89  -0.195 -12.126   9.285
  677   1HB   ALA  89          1HB       ALA  89   2.196 -12.486   9.679
  678   2HB   ALA  89          2HB       ALA  89   2.376 -13.211   8.081
  679   3HB   ALA  89          3HB       ALA  89   1.429 -14.034   9.322
  680    H    ALA  90           H        ALA  90   1.330 -12.003   6.089
  681    HA   ALA  90           HA       ALA  90   2.409  -9.361   6.331
  682   1HB   ALA  90          1HB       ALA  90   1.338 -10.543   3.759
  683   2HB   ALA  90          2HB       ALA  90   2.840 -11.117   4.485
  684   3HB   ALA  90          3HB       ALA  90   2.697  -9.437   3.971
  685    H    ALA  91           H        ALA  91  -0.793 -10.600   5.866
  686    HA   ALA  91           HA       ALA  91  -1.989  -8.272   4.710
  687   1HB   ALA  91          1HB       ALA  91  -4.017  -9.345   5.091
  688   2HB   ALA  91          2HB       ALA  91  -3.526  -9.949   6.674
  689   3HB   ALA  91          3HB       ALA  91  -2.929 -10.721   5.209
  690    H    GLU  92           H        GLU  92  -1.718  -9.323   8.120
  691    HA   GLU  92           HA       GLU  92  -2.857  -6.973   9.249
  692   1HB   GLU  92          2HB       GLU  92  -1.160  -9.228  10.220
  693   2HB   GLU  92          1HB       GLU  92  -1.215  -7.792  11.241
  694   1HG   GLU  92          2HG       GLU  92  -3.496  -8.006  11.674
  695   2HG   GLU  92          1HG       GLU  92  -3.806  -8.907  10.190
  696    H    GLN  93           H        GLN  93   0.163  -7.334   7.642
  697    HA   GLN  93           HA       GLN  93   1.474  -5.206   9.172
  698   1HB   GLN  93          2HB       GLN  93   3.356  -5.715   7.950
  699   2HB   GLN  93          1HB       GLN  93   2.487  -7.216   7.735
  700   1HG   GLN  93          2HG       GLN  93   3.010  -6.836   5.526
  701   2HG   GLN  93          1HG       GLN  93   1.539  -5.882   5.575
  702   1HE2  GLN  93          1HE2      GLN  93   1.781  -3.576   5.965
  703   2HE2  GLN  93          2HE2      GLN  93   3.194  -2.768   5.482
  704    H    LEU  94           H        LEU  94  -0.473  -5.500   6.265
  705    HA   LEU  94           HA       LEU  94  -0.065  -2.796   5.346
  706   1HB   LEU  94          2HB       LEU  94  -1.044  -4.582   3.914
  707   2HB   LEU  94          1HB       LEU  94  -2.479  -4.580   4.933
  708    HG   LEU  94           HG       LEU  94  -2.863  -2.193   4.375
  709   1HD1  LEU  94          1HD1      LEU  94  -1.450  -1.454   2.239
  710   2HD1  LEU  94          2HD1      LEU  94  -0.257  -2.549   2.930
  711   3HD1  LEU  94          3HD1      LEU  94  -0.844  -1.175   3.869
  712   1HD2  LEU  94          1HD2      LEU  94  -2.756  -3.042   1.615
  713   2HD2  LEU  94          2HD2      LEU  94  -4.149  -2.973   2.688
  714   3HD2  LEU  94          3HD2      LEU  94  -3.177  -4.438   2.607
  715    H    LYS  95           H        LYS  95  -2.436  -4.332   7.477
  716    HA   LYS  95           HA       LYS  95  -4.157  -2.130   7.917
  717   1HB   LYS  95          2HB       LYS  95  -3.301  -4.402   9.733
  718   2HB   LYS  95          1HB       LYS  95  -4.588  -3.271  10.153
  719   1HG   LYS  95          2HG       LYS  95  -5.984  -4.003   8.398
  720   2HG   LYS  95          1HG       LYS  95  -4.647  -4.715   7.509
  721   1HD   LYS  95          2HD       LYS  95  -5.007  -6.742   8.482
  722   2HD   LYS  95          1HD       LYS  95  -4.840  -6.053  10.094
  723   1HE   LYS  95          2HE       LYS  95  -7.286  -5.273   9.816
  724   2HE   LYS  95          1HE       LYS  95  -7.346  -6.364   8.428
  725   1HZ   LYS  95          1HZ       LYS  95  -7.916  -7.136  10.884
  726   2HZ   LYS  95          2HZ       LYS  95  -6.243  -7.438  10.902
  727   3HZ   LYS  95          3HZ       LYS  95  -7.232  -8.182   9.736
  728    H    THR  96           H        THR  96  -1.677  -3.216  10.244
  729    HA   THR  96           HA       THR  96  -1.631  -0.735  11.646
  730    HB   THR  96           HB       THR  96   0.755  -2.580  11.602
  731    HG1  THR  96           1HG      THR  96  -1.212  -3.826  11.602
  732   1HG2  THR  96          1HG2      THR  96   0.787  -0.614  13.077
  733   2HG2  THR  96          2HG2      THR  96   0.699  -2.094  14.031
  734   3HG2  THR  96          3HG2      THR  96  -0.745  -1.111  13.792
  735    H    THR  97           H        THR  97   0.008  -1.709   8.697
  736    HA   THR  97           HA       THR  97   2.241  -0.012   8.764
  737    HB   THR  97           HB       THR  97   0.475  -0.917   6.515
  738    HG1  THR  97           1HG      THR  97   2.807  -1.580   7.701
  739   1HG2  THR  97          1HG2      THR  97   1.034   1.240   5.682
  740   2HG2  THR  97          2HG2      THR  97   2.227   0.153   4.972
  741   3HG2  THR  97          3HG2      THR  97   2.662   1.157   6.355
  742    H    ILE  98           H        ILE  98  -0.888   0.879   7.235
  743    HA   ILE  98           HA       ILE  98  -0.423   3.628   7.016
  744    HB   ILE  98           HB       ILE  98  -2.923   2.010   7.509
  745   1HG1  ILE  98          2HG1      ILE  98  -3.189   3.240   5.052
  746   2HG1  ILE  98          1HG1      ILE  98  -1.440   3.076   5.138
  747   1HG2  ILE  98          1HG2      ILE  98  -3.760   3.975   8.386
  748   2HG2  ILE  98          2HG2      ILE  98  -4.042   4.273   6.672
  749   3HG2  ILE  98          3HG2      ILE  98  -2.656   4.977   7.468
  750   1HD1  ILE  98          1HD1      ILE  98  -2.423   1.109   4.073
  751   2HD1  ILE  98          2HD1      ILE  98  -3.454   0.837   5.477
  752   3HD1  ILE  98          3HD1      ILE  98  -1.705   0.658   5.618
  753    H    ARG  99           H        ARG  99  -1.877   1.961   9.865
  754    HA   ARG  99           HA       ARG  99  -2.111   4.350  11.382
  755   1HB   ARG  99          2HB       ARG  99  -2.923   1.831  11.741
  756   2HB   ARG  99          1HB       ARG  99  -1.472   1.737  12.733
  757   1HG   ARG  99          2HG       ARG  99  -3.448   4.000  13.109
  758   2HG   ARG  99          1HG       ARG  99  -3.706   2.433  13.840
  759   1HD   ARG  99          2HD       ARG  99  -1.208   4.098  14.208
  760   2HD   ARG  99          1HD       ARG  99  -2.523   3.988  15.373
  761    HE   ARG  99           HE       ARG  99  -1.540   1.361  14.708
  762   1HH1  ARG  99          1HH2      ARG  99  -0.890   4.253  16.472
  763   2HH1  ARG  99          2HH2      ARG  99   0.071   3.461  17.676
  764   1HH2  ARG  99          1HH1      ARG  99  -0.286   0.310  16.273
  765   2HH2  ARG  99          2HH1      ARG  99   0.414   1.233  17.561
  766    H    ALA 100           H        ALA 100   0.554   1.922  11.415
  767    HA   ALA 100           HA       ALA 100   2.155   3.321  13.333
  768   1HB   ALA 100          1HB       ALA 100   2.418   0.908  12.400
  769   2HB   ALA 100          2HB       ALA 100   3.877   1.810  12.801
  770   3HB   ALA 100          3HB       ALA 100   3.365   1.665  11.120
  771    H    TYR 101           H        TYR 101   1.789   3.705   9.897
  772    HA   TYR 101           HA       TYR 101   4.097   5.386   9.460
  773   1HB   TYR 101          2HB       TYR 101   1.577   4.723   7.941
  774   2HB   TYR 101          1HB       TYR 101   2.574   6.065   7.395
  775    HD1  TYR 101           1HD      TYR 101   4.041   3.073   9.010
  776    HD2  TYR 101           2HD      TYR 101   3.126   4.993   5.264
  777    HE1  TYR 101           1HE      TYR 101   5.518   1.479   7.833
  778    HE2  TYR 101           2HE      TYR 101   4.616   3.393   4.099
  779    HH   TYR 101           HH       TYR 101   5.971   0.614   5.721
  780    H    ASN 102           H        ASN 102   1.249   5.718  11.122
  781    HA   ASN 102           HA       ASN 102   0.499   7.608  12.385
  782   1HB   ASN 102          2HB       ASN 102   2.612   8.922  11.642
  783   2HB   ASN 102          1HB       ASN 102   1.657   9.437  10.251
  784   1HD2  ASN 102          1HD2      ASN 102  -0.381  10.626  10.688
  785   2HD2  ASN 102          2HD2      ASN 102  -0.528  11.523  12.127
  786    H    GLN 103           H        GLN 103  -1.221   6.218  11.165
  787    HA   GLN 103           HA       GLN 103  -2.989   6.038   9.677
  788   1HB   GLN 103          2HB       GLN 103  -2.940   8.778  10.807
  789   2HB   GLN 103          1HB       GLN 103  -4.008   8.543   9.421
  790   1HG   GLN 103          2HG       GLN 103  -4.006   6.742  11.860
  791   2HG   GLN 103          1HG       GLN 103  -5.093   8.127  11.683
  792   1HE2  GLN 103          1HE2      GLN 103  -4.451   6.782   8.624
  793   2HE2  GLN 103          2HE2      GLN 103  -5.813   5.799   8.498
  794    H    LYS 104           H        LYS 104  -0.792   5.873   8.428
  795    HA   LYS 104           HA       LYS 104   0.301   5.970   6.444
  796   1HB   LYS 104          2HB       LYS 104  -1.709   5.420   5.428
  797   2HB   LYS 104          1HB       LYS 104  -2.440   6.960   5.781
  798   1HG   LYS 104          2HG       LYS 104  -1.791   6.581   3.362
  799   2HG   LYS 104          1HG       LYS 104  -1.127   8.060   4.066
  800   1HD   LYS 104          2HD       LYS 104   1.049   7.046   4.322
  801   2HD   LYS 104          1HD       LYS 104   0.386   5.419   4.104
  802   1HE   LYS 104          2HE       LYS 104   0.045   5.765   1.778
  803   2HE   LYS 104          1HE       LYS 104   0.243   7.511   1.923
  804   1HZ   LYS 104          1HZ       LYS 104   2.202   6.238   1.022
  805   2HZ   LYS 104          2HZ       LYS 104   2.409   5.601   2.582
  806   3HZ   LYS 104          3HZ       LYS 104   2.533   7.277   2.322
  807    H    TYR 105           H        TYR 105  -1.387   9.063   5.857
  808    HA   TYR 105           HA       TYR 105   1.063  10.498   6.706
  809   1HB   TYR 105          2HB       TYR 105   0.490   9.909   3.928
  810   2HB   TYR 105          1HB       TYR 105   0.377  11.647   4.167
  811    HD1  TYR 105           1HD      TYR 105   2.616   8.724   4.828
  812    HD2  TYR 105           2HD      TYR 105   2.312  12.972   4.274
  813    HE1  TYR 105           1HE      TYR 105   5.086   8.898   4.817
  814    HE2  TYR 105           2HE      TYR 105   4.781  13.146   4.254
  815    HH   TYR 105           HH       TYR 105   6.820  10.373   4.056
  816    H    GLY 106           H        GLY 106  -2.003  10.257   7.185
  817   1HA   GLY 106          2HA       GLY 106  -2.368  13.102   7.765
  818   2HA   GLY 106          1HA       GLY 106  -3.464  12.486   6.533
  Start of MODEL   12
    1    HA   ALA   1           HA       ALA   1 -14.458  11.153   5.460
    2   1HB   ALA   1          1HB       ALA   1 -15.440  11.207   3.237
    3   2HB   ALA   1          2HB       ALA   1 -13.755  10.705   3.106
    4   3HB   ALA   1          3HB       ALA   1 -14.217  12.355   2.690
    5    H    ASP   2           H        ASP   2 -12.705  11.565   6.834
    6    HA   ASP   2           HA       ASP   2 -10.437  13.182   5.925
    7   1HB   ASP   2          2HB       ASP   2 -10.488  11.318   8.309
    8   2HB   ASP   2          1HB       ASP   2  -9.471  12.737   8.066
    9    H    LEU   3           H        LEU   3  -8.194  12.153   5.952
   10    HA   LEU   3           HA       LEU   3  -7.904  10.186   3.995
   11   1HB   LEU   3          2HB       LEU   3  -6.107  10.867   6.319
   12   2HB   LEU   3          1HB       LEU   3  -5.635   9.783   5.019
   13    HG   LEU   3           HG       LEU   3  -6.518  12.660   4.620
   14   1HD1  LEU   3          1HD1      LEU   3  -4.180  13.163   4.303
   15   2HD1  LEU   3          2HD1      LEU   3  -3.750  11.459   4.453
   16   3HD1  LEU   3          3HD1      LEU   3  -4.354  12.343   5.854
   17   1HD2  LEU   3          1HD2      LEU   3  -5.677  10.437   2.769
   18   2HD2  LEU   3          2HD2      LEU   3  -5.204  12.085   2.364
   19   3HD2  LEU   3          3HD2      LEU   3  -6.906  11.681   2.536
   20    H    GLU   4           H        GLU   4  -8.849   9.775   7.285
   21    HA   GLU   4           HA       GLU   4  -7.950   7.120   7.758
   22   1HB   GLU   4          2HB       GLU   4  -9.552   7.053   9.536
   23   2HB   GLU   4          1HB       GLU   4  -8.991   8.720   9.436
   24   1HG   GLU   4          2HG       GLU   4 -11.027   9.089   7.859
   25   2HG   GLU   4          1HG       GLU   4 -11.624   7.566   8.513
   26    H    ASP   5           H        ASP   5 -10.329   8.253   5.545
   27    HA   ASP   5           HA       ASP   5 -11.940   5.834   5.573
   28   1HB   ASP   5          2HB       ASP   5 -12.961   6.778   3.516
   29   2HB   ASP   5          1HB       ASP   5 -12.893   7.973   4.811
   30    H    ASN   6           H        ASN   6  -9.488   7.080   3.227
   31    HA   ASN   6           HA       ASN   6  -9.536   4.900   1.461
   32   1HB   ASN   6          2HB       ASN   6  -7.960   6.360   0.629
   33   2HB   ASN   6          1HB       ASN   6  -7.589   6.985   2.232
   34   1HD2  ASN   6          1HD2      ASN   6  -6.371   5.105   3.607
   35   2HD2  ASN   6          2HD2      ASN   6  -5.064   4.414   2.788
   36    H    TRP   7           H        TRP   7  -8.044   5.269   4.604
   37    HA   TRP   7           HA       TRP   7  -6.685   2.778   4.798
   38   1HB   TRP   7          2HB       TRP   7  -7.739   4.864   6.653
   39   2HB   TRP   7          1HB       TRP   7  -7.500   3.289   7.383
   40    HD1  TRP   7           HD       TRP   7  -5.525   5.621   5.031
   41    HE1  TRP   7           1HE      TRP   7  -3.058   5.628   5.740
   42    HE3  TRP   7           3HE      TRP   7  -5.720   2.317   8.919
   43    HZ2  TRP   7           2HZ      TRP   7  -1.371   4.414   7.708
   44    HZ3  TRP   7           3HZ      TRP   7  -3.665   1.759  10.190
   45    HH2  TRP   7           HH       TRP   7  -1.492   2.797   9.585
   46    H    GLU   8           H        GLU   8 -10.057   3.707   5.374
   47    HA   GLU   8           HA       GLU   8 -10.947   1.300   6.588
   48   1HB   GLU   8          2HB       GLU   8 -12.266   3.435   6.399
   49   2HB   GLU   8          1HB       GLU   8 -12.549   3.030   4.711
   50   1HG   GLU   8          2HG       GLU   8 -13.557   0.865   5.429
   51   2HG   GLU   8          1HG       GLU   8 -13.359   1.367   7.108
   52    H    THR   9           H        THR   9 -10.933   2.254   3.134
   53    HA   THR   9           HA       THR   9 -11.973  -0.160   2.076
   54    HB   THR   9           HB       THR   9  -9.667   1.334   0.783
   55    HG1  THR   9           1HG      THR   9 -12.399   2.103   0.791
   56   1HG2  THR   9          1HG2      THR   9 -12.211   0.117  -0.342
   57   2HG2  THR   9          2HG2      THR   9 -10.649  -0.697  -0.309
   58   3HG2  THR   9          3HG2      THR   9 -10.860   0.766  -1.268
   59    H    LEU  10           H        LEU  10  -8.644   0.789   2.774
   60    HA   LEU  10           HA       LEU  10  -7.413  -1.735   2.204
   61   1HB   LEU  10          2HB       LEU  10  -6.707   0.853   3.416
   62   2HB   LEU  10          1HB       LEU  10  -5.864  -0.481   4.194
   63    HG   LEU  10           HG       LEU  10  -5.899  -0.395   1.179
   64   1HD1  LEU  10          1HD1      LEU  10  -4.276   1.386   2.990
   65   2HD1  LEU  10          2HD1      LEU  10  -5.273   1.851   1.613
   66   3HD1  LEU  10          3HD1      LEU  10  -3.764   0.978   1.353
   67   1HD2  LEU  10          1HD2      LEU  10  -3.771  -1.502   1.451
   68   2HD2  LEU  10          2HD2      LEU  10  -4.898  -2.266   2.573
   69   3HD2  LEU  10          3HD2      LEU  10  -3.723  -1.094   3.167
   70    H    ASN  11           H        ASN  11  -9.062  -0.446   5.036
   71    HA   ASN  11           HA       ASN  11  -8.080  -2.318   6.934
   72   1HB   ASN  11          2HB       ASN  11  -9.512  -0.271   7.411
   73   2HB   ASN  11          1HB       ASN  11 -10.894  -1.232   6.859
   74   1HD2  ASN  11          1HD2      ASN  11  -8.121  -2.597   8.642
   75   2HD2  ASN  11          2HD2      ASN  11  -9.004  -3.020  10.020
   76    H    ASP  12           H        ASP  12 -11.291  -2.368   5.442
   77    HA   ASP  12           HA       ASP  12 -12.018  -4.975   6.131
   78   1HB   ASP  12          2HB       ASP  12 -12.615  -3.394   3.640
   79   2HB   ASP  12          1HB       ASP  12 -13.421  -4.913   4.029
   80    H    ASN  13           H        ASN  13  -9.648  -3.914   3.813
   81    HA   ASN  13           HA       ASN  13  -9.742  -6.320   2.228
   82   1HB   ASN  13          2HB       ASN  13  -7.797  -4.062   2.502
   83   2HB   ASN  13          1HB       ASN  13  -7.213  -5.546   1.761
   84   1HD2  ASN  13          1HD2      ASN  13  -9.589  -2.915   1.407
   85   2HD2  ASN  13          2HD2      ASN  13  -9.935  -3.223  -0.226
   86    H    LEU  14           H        LEU  14  -7.272  -5.311   4.658
   87    HA   LEU  14           HA       LEU  14  -6.058  -7.851   4.945
   88   1HB   LEU  14          2HB       LEU  14  -6.448  -5.556   6.875
   89   2HB   LEU  14          1HB       LEU  14  -5.583  -7.013   7.351
   90    HG   LEU  14           HG       LEU  14  -4.098  -5.140   6.549
   91   1HD1  LEU  14          1HD1      LEU  14  -2.596  -6.540   5.463
   92   2HD1  LEU  14          2HD1      LEU  14  -3.850  -7.383   4.569
   93   3HD1  LEU  14          3HD1      LEU  14  -3.627  -7.700   6.293
   94   1HD2  LEU  14          1HD2      LEU  14  -5.706  -4.361   4.782
   95   2HD2  LEU  14          2HD2      LEU  14  -5.249  -5.758   3.821
   96   3HD2  LEU  14          3HD2      LEU  14  -4.051  -4.533   4.221
   97    H    LYS  15           H        LYS  15  -8.964  -6.500   6.329
   98    HA   LYS  15           HA       LYS  15  -9.482  -8.321   8.407
   99   1HB   LYS  15          2HB       LYS  15 -10.740  -6.190   7.677
  100   2HB   LYS  15          1HB       LYS  15 -11.602  -7.231   6.550
  101   1HG   LYS  15          2HG       LYS  15 -12.125  -8.712   8.588
  102   2HG   LYS  15          1HG       LYS  15 -11.587  -7.348   9.564
  103   1HD   LYS  15          2HD       LYS  15 -13.856  -6.850   9.408
  104   2HD   LYS  15          1HD       LYS  15 -13.262  -5.982   7.992
  105   1HE   LYS  15          2HE       LYS  15 -15.224  -7.303   7.374
  106   2HE   LYS  15          1HE       LYS  15 -13.799  -7.986   6.592
  107   1HZ   LYS  15          1HZ       LYS  15 -14.395  -9.896   7.523
  108   2HZ   LYS  15          2HZ       LYS  15 -15.537  -9.151   8.537
  109   3HZ   LYS  15          3HZ       LYS  15 -13.907  -9.241   9.009
  110    H    VAL  16           H        VAL  16 -10.584  -8.579   4.992
  111    HA   VAL  16           HA       VAL  16 -11.798 -11.122   5.416
  112    HB   VAL  16           HB       VAL  16 -11.128  -9.373   3.112
  113   1HG1  VAL  16          1HG1      VAL  16 -10.181 -11.390   2.199
  114   2HG1  VAL  16          2HG1      VAL  16 -11.786 -11.211   1.493
  115   3HG1  VAL  16          3HG1      VAL  16 -11.522 -12.360   2.803
  116   1HG2  VAL  16          1HG2      VAL  16 -13.327  -9.370   4.224
  117   2HG2  VAL  16          2HG2      VAL  16 -13.532 -11.074   3.820
  118   3HG2  VAL  16          3HG2      VAL  16 -13.470  -9.865   2.536
  119    H    ILE  17           H        ILE  17  -8.595 -10.416   3.835
  120    HA   ILE  17           HA       ILE  17  -7.899 -13.093   3.414
  121    HB   ILE  17           HB       ILE  17  -5.620 -11.530   4.520
  122   1HG1  ILE  17          2HG1      ILE  17  -7.308 -10.445   2.240
  123   2HG1  ILE  17          1HG1      ILE  17  -6.955  -9.646   3.768
  124   1HG2  ILE  17          1HG2      ILE  17  -4.561 -12.215   2.488
  125   2HG2  ILE  17          2HG2      ILE  17  -6.112 -12.548   1.715
  126   3HG2  ILE  17          3HG2      ILE  17  -5.536 -13.583   3.022
  127   1HD1  ILE  17          1HD1      ILE  17  -4.430 -10.047   2.977
  128   2HD1  ILE  17          2HD1      ILE  17  -5.358  -8.644   2.455
  129   3HD1  ILE  17          3HD1      ILE  17  -5.201 -10.037   1.388
  130    H    GLU  18           H        GLU  18  -7.370 -11.209   6.391
  131    HA   GLU  18           HA       GLU  18  -6.293 -13.323   7.944
  132   1HB   GLU  18          2HB       GLU  18  -8.100 -11.050   8.843
  133   2HB   GLU  18          1HB       GLU  18  -7.098 -12.035   9.905
  134   1HG   GLU  18          2HG       GLU  18  -5.521 -10.867   7.700
  135   2HG   GLU  18          1HG       GLU  18  -6.321  -9.623   8.655
  136    H    LYS  19           H        LYS  19  -9.525 -12.675   6.811
  137    HA   LYS  19           HA       LYS  19 -10.548 -15.052   8.333
  138   1HB   LYS  19          2HB       LYS  19 -11.941 -12.434   7.709
  139   2HB   LYS  19          1HB       LYS  19 -12.730 -13.833   8.435
  140   1HG   LYS  19          2HG       LYS  19 -11.674 -13.547  10.483
  141   2HG   LYS  19          1HG       LYS  19 -10.227 -12.858   9.764
  142   1HD   LYS  19          2HD       LYS  19 -11.539 -11.208  11.096
  143   2HD   LYS  19          1HD       LYS  19 -11.334 -10.724   9.414
  144   1HE   LYS  19          2HE       LYS  19 -13.699 -10.506  10.449
  145   2HE   LYS  19          1HE       LYS  19 -13.581 -11.284   8.872
  146   1HZ   LYS  19          1HZ       LYS  19 -13.616 -13.433   9.947
  147   2HZ   LYS  19          2HZ       LYS  19 -14.980 -12.534  10.413
  148   3HZ   LYS  19          3HZ       LYS  19 -13.668 -12.705  11.479
  149    H    ALA  20           H        ALA  20  -9.478 -14.924   5.568
  150    HA   ALA  20           HA       ALA  20 -11.601 -14.805   3.655
  151   1HB   ALA  20          1HB       ALA  20  -9.450 -14.696   2.722
  152   2HB   ALA  20          2HB       ALA  20  -9.971 -16.325   2.302
  153   3HB   ALA  20          3HB       ALA  20  -8.870 -16.073   3.658
  154    H    ASP  21           H        ASP  21 -10.596 -17.338   5.831
  155    HA   ASP  21           HA       ASP  21 -11.617 -19.384   6.345
  156   1HB   ASP  21          2HB       ASP  21 -13.767 -18.836   4.299
  157   2HB   ASP  21          1HB       ASP  21 -13.884 -19.701   5.831
  158    H    ASN  22           H        ASN  22 -11.315 -18.438   2.971
  159    HA   ASN  22           HA       ASN  22 -10.079 -21.048   2.370
  160   1HB   ASN  22          2HB       ASN  22 -12.328 -20.107   0.586
  161   2HB   ASN  22          1HB       ASN  22 -11.556 -21.694   0.641
  162   1HD2  ASN  22          1HD2      ASN  22 -13.933 -19.617   2.199
  163   2HD2  ASN  22          2HD2      ASN  22 -14.574 -20.806   3.230
  164    H    ALA  23           H        ALA  23  -8.789 -20.960   0.442
  165    HA   ALA  23           HA       ALA  23  -7.464 -18.544  -0.084
  166   1HB   ALA  23          1HB       ALA  23  -7.805 -21.076  -1.679
  167   2HB   ALA  23          2HB       ALA  23  -6.363 -20.468  -0.869
  168   3HB   ALA  23          3HB       ALA  23  -6.915 -19.715  -2.363
  169    H    ALA  24           H        ALA  24 -10.579 -19.564  -1.171
  170    HA   ALA  24           HA       ALA  24 -10.725 -18.054  -3.603
  171   1HB   ALA  24          1HB       ALA  24 -13.118 -18.365  -3.448
  172   2HB   ALA  24          2HB       ALA  24 -13.015 -18.681  -1.715
  173   3HB   ALA  24          3HB       ALA  24 -12.347 -19.840  -2.864
  174    H    GLN  25           H        GLN  25 -11.975 -17.189  -0.317
  175    HA   GLN  25           HA       GLN  25 -12.692 -14.529  -1.128
  176   1HB   GLN  25          2HB       GLN  25 -12.122 -15.762   1.572
  177   2HB   GLN  25          1HB       GLN  25 -12.572 -14.068   1.394
  178   1HG   GLN  25          2HG       GLN  25 -14.776 -14.635   1.235
  179   2HG   GLN  25          1HG       GLN  25 -14.443 -15.660  -0.154
  180   1HE2  GLN  25          1HE2      GLN  25 -14.226 -17.955   0.201
  181   2HE2  GLN  25          2HE2      GLN  25 -14.601 -18.676   1.689
  182    H    VAL  26           H        VAL  26  -9.608 -15.926  -0.486
  183    HA   VAL  26           HA       VAL  26  -8.295 -13.496   0.376
  184    HB   VAL  26           HB       VAL  26  -7.363 -16.143  -0.753
  185   1HG1  VAL  26          1HG1      VAL  26  -5.744 -13.643  -0.315
  186   2HG1  VAL  26          2HG1      VAL  26  -5.772 -14.703  -1.721
  187   3HG1  VAL  26          3HG1      VAL  26  -5.006 -15.242  -0.228
  188   1HG2  VAL  26          1HG2      VAL  26  -6.073 -16.023   1.524
  189   2HG2  VAL  26          2HG2      VAL  26  -7.790 -16.391   1.534
  190   3HG2  VAL  26          3HG2      VAL  26  -7.240 -14.767   1.927
  191    H    LYS  27           H        LYS  27  -8.551 -15.193  -2.762
  192    HA   LYS  27           HA       LYS  27  -7.140 -13.315  -4.333
  193   1HB   LYS  27          2HB       LYS  27  -9.594 -14.865  -5.205
  194   2HB   LYS  27          1HB       LYS  27  -8.315 -14.234  -6.241
  195   1HG   LYS  27          2HG       LYS  27  -6.696 -15.731  -5.253
  196   2HG   LYS  27          1HG       LYS  27  -7.849 -16.259  -4.044
  197   1HD   LYS  27          2HD       LYS  27  -7.566 -17.878  -5.956
  198   2HD   LYS  27          1HD       LYS  27  -9.225 -17.342  -5.700
  199   1HE   LYS  27          2HE       LYS  27  -9.204 -15.960  -7.598
  200   2HE   LYS  27          1HE       LYS  27  -7.446 -15.885  -7.648
  201   1HZ   LYS  27          1HZ       LYS  27  -8.749 -17.425  -9.273
  202   2HZ   LYS  27          2HZ       LYS  27  -8.760 -18.489  -7.949
  203   3HZ   LYS  27          3HZ       LYS  27  -7.285 -17.943  -8.592
  204    H    ASP  28           H        ASP  28 -10.443 -13.336  -3.203
  205    HA   ASP  28           HA       ASP  28 -11.442 -11.181  -4.793
  206   1HB   ASP  28          2HB       ASP  28 -12.530 -12.935  -3.005
  207   2HB   ASP  28          1HB       ASP  28 -12.527 -11.483  -2.030
  208    H    ALA  29           H        ALA  29 -10.533 -11.077  -1.342
  209    HA   ALA  29           HA       ALA  29 -10.644  -8.298  -1.034
  210   1HB   ALA  29          1HB       ALA  29 -10.327  -9.453   0.948
  211   2HB   ALA  29          2HB       ALA  29  -8.737  -8.736   0.720
  212   3HB   ALA  29          3HB       ALA  29  -9.013 -10.429   0.303
  213    H    LEU  30           H        LEU  30  -7.750 -10.179  -2.025
  214    HA   LEU  30           HA       LEU  30  -6.047  -7.929  -2.199
  215   1HB   LEU  30          2HB       LEU  30  -6.052 -10.590  -3.603
  216   2HB   LEU  30          1HB       LEU  30  -4.780  -9.395  -3.919
  217    HG   LEU  30           HG       LEU  30  -5.449 -10.127  -1.059
  218   1HD1  LEU  30          1HD1      LEU  30  -3.962 -11.980  -1.053
  219   2HD1  LEU  30          2HD1      LEU  30  -3.380 -11.619  -2.673
  220   3HD1  LEU  30          3HD1      LEU  30  -5.009 -12.253  -2.443
  221   1HD2  LEU  30          1HD2      LEU  30  -3.050  -9.565  -0.759
  222   2HD2  LEU  30          2HD2      LEU  30  -3.920  -8.231  -1.508
  223   3HD2  LEU  30          3HD2      LEU  30  -2.907  -9.281  -2.490
  224    H    THR  31           H        THR  31  -8.464  -9.106  -4.473
  225    HA   THR  31           HA       THR  31  -7.567  -7.478  -6.674
  226    HB   THR  31           HB       THR  31 -10.181  -8.827  -5.980
  227    HG1  THR  31           1HG      THR  31  -8.278  -9.963  -6.773
  228   1HG2  THR  31          1HG2      THR  31  -9.543  -7.040  -8.328
  229   2HG2  THR  31          2HG2      THR  31 -10.886  -6.895  -7.194
  230   3HG2  THR  31          3HG2      THR  31 -10.849  -8.223  -8.351
  231    H    LYS  32           H        LYS  32  -9.660  -6.950  -3.882
  232    HA   LYS  32           HA       LYS  32 -10.651  -4.378  -4.795
  233   1HB   LYS  32          2HB       LYS  32 -10.436  -4.967  -1.850
  234   2HB   LYS  32          1HB       LYS  32 -11.732  -4.172  -2.735
  235   1HG   LYS  32          2HG       LYS  32 -11.116  -7.119  -2.940
  236   2HG   LYS  32          1HG       LYS  32 -12.310  -6.460  -1.853
  237   1HD   LYS  32          2HD       LYS  32 -13.833  -6.081  -3.529
  238   2HD   LYS  32          1HD       LYS  32 -12.605  -5.573  -4.679
  239   1HE   LYS  32          2HE       LYS  32 -12.196  -7.746  -5.416
  240   2HE   LYS  32          1HE       LYS  32 -12.729  -8.484  -3.904
  241   1HZ   LYS  32          1HZ       LYS  32 -14.710  -8.764  -4.809
  242   2HZ   LYS  32          2HZ       LYS  32 -14.221  -7.975  -6.233
  243   3HZ   LYS  32          3HZ       LYS  32 -14.890  -7.084  -4.952
  244    H    MET  33           H        MET  33  -7.897  -5.522  -2.924
  245    HA   MET  33           HA       MET  33  -6.910  -3.025  -2.021
  246   1HB   MET  33          2HB       MET  33  -5.738  -5.683  -2.687
  247   2HB   MET  33          1HB       MET  33  -4.605  -4.343  -2.617
  248   1HG   MET  33          2HG       MET  33  -5.659  -3.817  -0.313
  249   2HG   MET  33          1HG       MET  33  -6.337  -5.442  -0.410
  250   1HE   MET  33          1HE       MET  33  -3.723  -7.506   1.029
  251   2HE   MET  33          2HE       MET  33  -5.273  -7.428   0.194
  252   3HE   MET  33          3HE       MET  33  -5.018  -6.478   1.650
  253    H    ARG  34           H        ARG  34  -6.289  -4.758  -5.103
  254    HA   ARG  34           HA       ARG  34  -4.604  -3.025  -6.430
  255   1HB   ARG  34          2HB       ARG  34  -6.637  -4.947  -7.137
  256   2HB   ARG  34          1HB       ARG  34  -6.736  -3.613  -8.273
  257   1HG   ARG  34          2HG       ARG  34  -5.184  -5.280  -9.135
  258   2HG   ARG  34          1HG       ARG  34  -4.292  -3.836  -8.675
  259   1HD   ARG  34          2HD       ARG  34  -4.380  -5.488  -6.347
  260   2HD   ARG  34          1HD       ARG  34  -3.922  -6.530  -7.698
  261    HE   ARG  34           HE       ARG  34  -2.215  -4.614  -6.487
  262   1HH1  ARG  34          1HH2      ARG  34  -3.367  -5.584  -9.592
  263   2HH1  ARG  34          2HH2      ARG  34  -1.895  -5.178 -10.411
  264   1HH2  ARG  34          1HH1      ARG  34  -0.285  -4.110  -7.528
  265   2HH2  ARG  34          2HH1      ARG  34  -0.147  -4.338  -9.241
  266    H    ALA  35           H        ALA  35  -8.122  -2.655  -6.111
  267    HA   ALA  35           HA       ALA  35  -8.244  -0.105  -7.448
  268   1HB   ALA  35          1HB       ALA  35 -10.163  -0.985  -5.291
  269   2HB   ALA  35          2HB       ALA  35 -10.152  -1.760  -6.876
  270   3HB   ALA  35          3HB       ALA  35 -10.497  -0.034  -6.741
  271    H    ALA  36           H        ALA  36  -8.319  -0.942  -3.970
  272    HA   ALA  36           HA       ALA  36  -8.109   1.776  -3.045
  273   1HB   ALA  36          1HB       ALA  36  -7.134  -0.617  -1.488
  274   2HB   ALA  36          2HB       ALA  36  -8.854  -0.357  -1.768
  275   3HB   ALA  36          3HB       ALA  36  -7.914   0.848  -0.890
  276    H    ALA  37           H        ALA  37  -5.770  -0.461  -4.295
  277    HA   ALA  37           HA       ALA  37  -3.447   0.462  -2.908
  278   1HB   ALA  37          1HB       ALA  37  -3.965  -0.999  -5.467
  279   2HB   ALA  37          2HB       ALA  37  -3.059  -1.522  -4.054
  280   3HB   ALA  37          3HB       ALA  37  -2.346  -0.374  -5.186
  281    H    LEU  38           H        LEU  38  -4.198   1.178  -6.336
  282    HA   LEU  38           HA       LEU  38  -2.393   3.388  -6.356
  283   1HB   LEU  38          2HB       LEU  38  -4.732   2.875  -8.199
  284   2HB   LEU  38          1HB       LEU  38  -3.409   4.009  -8.494
  285    HG   LEU  38           HG       LEU  38  -2.588   1.197  -7.837
  286   1HD1  LEU  38          1HD1      LEU  38  -3.798   1.914 -10.528
  287   2HD1  LEU  38          2HD1      LEU  38  -4.506   0.808  -9.350
  288   3HD1  LEU  38          3HD1      LEU  38  -2.977   0.405 -10.132
  289   1HD2  LEU  38          1HD2      LEU  38  -1.714   3.027 -10.089
  290   2HD2  LEU  38          2HD2      LEU  38  -0.830   1.670  -9.392
  291   3HD2  LEU  38          3HD2      LEU  38  -1.060   3.146  -8.455
  292    H    ASP  39           H        ASP  39  -5.710   3.125  -5.333
  293    HA   ASP  39           HA       ASP  39  -6.440   5.886  -5.560
  294   1HB   ASP  39          2HB       ASP  39  -8.024   4.017  -4.926
  295   2HB   ASP  39          1HB       ASP  39  -7.245   3.964  -3.345
  296    H    ALA  40           H        ALA  40  -4.684   3.995  -3.149
  297    HA   ALA  40           HA       ALA  40  -4.284   6.126  -1.281
  298   1HB   ALA  40          1HB       ALA  40  -2.543   3.712  -1.867
  299   2HB   ALA  40          2HB       ALA  40  -3.842   3.791  -0.675
  300   3HB   ALA  40          3HB       ALA  40  -2.386   4.760  -0.457
  301    H    GLN  41           H        GLN  41  -2.800   5.280  -4.356
  302    HA   GLN  41           HA       GLN  41  -0.340   6.637  -4.277
  303   1HB   GLN  41          2HB       GLN  41  -1.548   5.480  -6.324
  304   2HB   GLN  41          1HB       GLN  41  -2.208   7.081  -6.619
  305   1HG   GLN  41          2HG       GLN  41   0.746   6.401  -6.438
  306   2HG   GLN  41          1HG       GLN  41  -0.150   6.736  -7.917
  307   1HE2  GLN  41          1HE2      GLN  41  -1.729   8.939  -7.077
  308   2HE2  GLN  41          2HE2      GLN  41  -0.706  10.242  -6.701
  309    H    LYS  42           H        LYS  42  -3.606   7.886  -4.540
  310    HA   LYS  42           HA       LYS  42  -2.654  10.696  -4.611
  311   1HB   LYS  42          2HB       LYS  42  -5.499   9.659  -4.470
  312   2HB   LYS  42          1HB       LYS  42  -4.969  11.272  -4.941
  313   1HG   LYS  42          2HG       LYS  42  -3.661  10.182  -6.811
  314   2HG   LYS  42          1HG       LYS  42  -4.520   8.691  -6.431
  315   1HD   LYS  42          2HD       LYS  42  -6.636   9.646  -6.971
  316   2HD   LYS  42          1HD       LYS  42  -5.983  11.282  -6.995
  317   1HE   LYS  42          2HE       LYS  42  -5.415  11.080  -9.188
  318   2HE   LYS  42          1HE       LYS  42  -4.543   9.581  -8.872
  319   1HZ   LYS  42          1HZ       LYS  42  -6.797   8.493  -8.791
  320   2HZ   LYS  42          2HZ       LYS  42  -6.276   9.020 -10.320
  321   3HZ   LYS  42          3HZ       LYS  42  -7.423   9.924  -9.450
  322    H    ALA  43           H        ALA  43  -5.304   9.276  -2.678
  323    HA   ALA  43           HA       ALA  43  -4.598  11.031  -0.438
  324   1HB   ALA  43          1HB       ALA  43  -6.940  10.698  -0.782
  325   2HB   ALA  43          2HB       ALA  43  -6.534   9.794   0.677
  326   3HB   ALA  43          3HB       ALA  43  -6.749   8.947  -0.856
  327    H    THR  44           H        THR  44  -2.734  10.391   0.568
  328    HA   THR  44           HA       THR  44  -2.698   7.656   1.775
  329    HB   THR  44           HB       THR  44  -1.147   7.296   0.069
  330    HG1  THR  44           1HG      THR  44   0.929   8.398   1.246
  331   1HG2  THR  44          1HG2      THR  44  -0.639  10.255   0.262
  332   2HG2  THR  44          2HG2      THR  44  -1.168   9.308  -1.127
  333   3HG2  THR  44          3HG2      THR  44   0.500   9.201  -0.571
  334    HA   PRO  45           HA       PRO  45  -2.000   9.353   5.752
  335   1HB   PRO  45          2HB       PRO  45   0.787   8.201   5.508
  336   2HB   PRO  45          1HB       PRO  45  -0.288   8.249   6.921
  337   1HG   PRO  45          2HG       PRO  45  -0.149   6.074   5.415
  338   2HG   PRO  45          1HG       PRO  45  -1.697   6.631   6.072
  339   1HD   PRO  45          2HD       PRO  45  -0.736   6.700   3.262
  340   2HD   PRO  45          1HD       PRO  45  -2.403   6.708   3.870
  341    HA   PRO  46           HA       PRO  46   1.221  12.631   4.881
  342   1HB   PRO  46          2HB       PRO  46   3.189  12.211   3.002
  343   2HB   PRO  46          1HB       PRO  46   3.256  11.557   4.653
  344   1HG   PRO  46          2HG       PRO  46   2.970  10.089   2.188
  345   2HG   PRO  46          1HG       PRO  46   3.066   9.455   3.838
  346   1HD   PRO  46          2HD       PRO  46   0.649  10.029   2.186
  347   2HD   PRO  46          1HD       PRO  46   0.882   8.814   3.460
  348    H    LYS  47           H        LYS  47  -0.541  11.393   2.329
  349    HA   LYS  47           HA       LYS  47  -1.610  12.386   0.523
  350   1HB   LYS  47          2HB       LYS  47  -0.733  15.130   1.368
  351   2HB   LYS  47          1HB       LYS  47  -2.277  14.602   0.733
  352   1HG   LYS  47          2HG       LYS  47  -3.047  14.677   2.869
  353   2HG   LYS  47          1HG       LYS  47  -2.144  13.199   3.141
  354   1HD   LYS  47          2HD       LYS  47  -0.625  14.252   4.507
  355   2HD   LYS  47          1HD       LYS  47  -0.444  15.629   3.426
  356   1HE   LYS  47          2HE       LYS  47  -2.802  15.202   5.285
  357   2HE   LYS  47          1HE       LYS  47  -1.420  16.238   5.639
  358   1HZ   LYS  47          1HZ       LYS  47  -3.453  16.554   3.516
  359   2HZ   LYS  47          2HZ       LYS  47  -1.958  17.359   3.447
  360   3HZ   LYS  47          3HZ       LYS  47  -3.025  17.651   4.736
  361    H    LEU  48           H        LEU  48   1.705  12.716   1.044
  362    HA   LEU  48           HA       LEU  48   3.496  13.110  -0.380
  363   1HB   LEU  48          2HB       LEU  48   2.154  11.630  -1.960
  364   2HB   LEU  48          1HB       LEU  48   1.470  13.092  -2.649
  365    HG   LEU  48           HG       LEU  48   3.385  12.209  -3.974
  366   1HD1  LEU  48          1HD1      LEU  48   4.232  14.294  -4.499
  367   2HD1  LEU  48          2HD1      LEU  48   4.377  14.798  -2.818
  368   3HD1  LEU  48          3HD1      LEU  48   2.798  14.765  -3.598
  369   1HD2  LEU  48          1HD2      LEU  48   5.273  13.102  -1.804
  370   2HD2  LEU  48          2HD2      LEU  48   5.551  12.008  -3.151
  371   3HD2  LEU  48          3HD2      LEU  48   4.604  11.470  -1.764
  372    H    GLU  49           H        GLU  49   0.765  14.882  -1.888
  373    HA   GLU  49           HA       GLU  49   2.403  17.326  -1.988
  374   1HB   GLU  49          2HB       GLU  49  -0.528  16.908  -2.638
  375   2HB   GLU  49          1HB       GLU  49   0.417  18.351  -2.993
  376   1HG   GLU  49          2HG       GLU  49   1.976  16.822  -4.333
  377   2HG   GLU  49          1HG       GLU  49   0.718  15.593  -4.189
  378    H    ASP  50           H        ASP  50   2.722  17.718   0.257
  379    HA   ASP  50           HA       ASP  50   0.320  18.174   1.961
  380   1HB   ASP  50          2HB       ASP  50   2.226  16.955   2.947
  381   2HB   ASP  50          1HB       ASP  50   3.287  18.325   2.607
  382    H    LYS  51           H        LYS  51   2.261  19.843  -0.194
  383    HA   LYS  51           HA       LYS  51   1.134  22.421   0.500
  384   1HB   LYS  51          2HB       LYS  51   3.428  23.496   0.819
  385   2HB   LYS  51          1HB       LYS  51   2.843  22.527   2.167
  386   1HG   LYS  51          2HG       LYS  51   4.297  20.769   0.376
  387   2HG   LYS  51          1HG       LYS  51   5.293  22.187   0.677
  388   1HD   LYS  51          2HD       LYS  51   5.207  21.838   3.059
  389   2HD   LYS  51          1HD       LYS  51   3.979  20.583   2.886
  390   1HE   LYS  51          2HE       LYS  51   5.517  19.081   1.851
  391   2HE   LYS  51          1HE       LYS  51   6.703  20.359   1.592
  392   1HZ   LYS  51          1HZ       LYS  51   6.054  20.208   4.330
  393   2HZ   LYS  51          2HZ       LYS  51   7.558  19.965   3.579
  394   3HZ   LYS  51          3HZ       LYS  51   6.485  18.662   3.779
  395    H    SER  52           H        SER  52   4.326  21.832  -0.928
  396    HA   SER  52           HA       SER  52   3.439  21.598  -3.636
  397   1HB   SER  52          2HB       SER  52   4.226  24.320  -2.600
  398   2HB   SER  52          1HB       SER  52   4.443  23.896  -4.296
  399    HG   SER  52           HG       SER  52   2.401  24.889  -3.824
  400    HA   PRO  53           HA       PRO  53   7.822  20.468  -2.375
  401   1HB   PRO  53          2HB       PRO  53   7.065  17.921  -3.734
  402   2HB   PRO  53          1HB       PRO  53   7.813  18.167  -2.144
  403   1HG   PRO  53          2HG       PRO  53   5.275  17.397  -2.362
  404   2HG   PRO  53          1HG       PRO  53   5.782  18.539  -1.100
  405   1HD   PRO  53          2HD       PRO  53   4.399  19.122  -3.714
  406   2HD   PRO  53          1HD       PRO  53   4.071  19.784  -2.097
  407    H    ASP  54           H        ASP  54   6.587  18.886  -5.323
  408    HA   ASP  54           HA       ASP  54   8.442  20.559  -6.974
  409   1HB   ASP  54          2HB       ASP  54   9.160  18.045  -6.391
  410   2HB   ASP  54          1HB       ASP  54   7.998  17.647  -7.640
  411    H    SER  55           H        SER  55   6.006  18.014  -7.276
  412    HA   SER  55           HA       SER  55   3.765  18.402  -8.061
  413   1HB   SER  55          2HB       SER  55   3.172  19.944  -9.767
  414   2HB   SER  55          1HB       SER  55   4.181  20.815  -8.626
  415    HG   SER  55           HG       SER  55   4.668  20.010 -11.256
  416    HA   PRO  56           HA       PRO  56   5.095  16.014 -11.880
  417   1HB   PRO  56          2HB       PRO  56   7.955  16.143 -12.396
  418   2HB   PRO  56          1HB       PRO  56   6.646  16.773 -13.414
  419   1HG   PRO  56          2HG       PRO  56   8.476  18.353 -12.118
  420   2HG   PRO  56          1HG       PRO  56   6.846  18.889 -12.569
  421   1HD   PRO  56          2HD       PRO  56   7.820  17.873  -9.915
  422   2HD   PRO  56          1HD       PRO  56   6.805  19.267 -10.269
  423    H    GLU  57           H        GLU  57   7.329  16.293  -9.234
  424    HA   GLU  57           HA       GLU  57   8.383  13.630  -9.187
  425   1HB   GLU  57          2HB       GLU  57   9.305  15.614  -7.923
  426   2HB   GLU  57          1HB       GLU  57   7.942  15.457  -6.815
  427   1HG   GLU  57          2HG       GLU  57   8.651  13.290  -6.095
  428   2HG   GLU  57          1HG       GLU  57   9.817  13.158  -7.412
  429    H    MET  58           H        MET  58   5.264  14.729  -8.775
  430    HA   MET  58           HA       MET  58   4.345  13.161  -6.566
  431   1HB   MET  58          2HB       MET  58   2.975  14.958  -7.345
  432   2HB   MET  58          1HB       MET  58   2.952  14.320  -8.987
  433   1HG   MET  58          2HG       MET  58   1.566  12.479  -8.351
  434   2HG   MET  58          1HG       MET  58   1.823  12.790  -6.634
  435   1HE   MET  58          1HE       MET  58  -1.070  12.370  -7.654
  436   2HE   MET  58          2HE       MET  58  -0.554  12.858  -9.267
  437   3HE   MET  58          3HE       MET  58  -1.863  13.725  -8.469
  438    H    LYS  59           H        LYS  59   3.663  12.494 -10.053
  439    HA   LYS  59           HA       LYS  59   2.781   9.863  -9.643
  440   1HB   LYS  59          2HB       LYS  59   3.044  11.349 -11.874
  441   2HB   LYS  59          1HB       LYS  59   4.475  10.342 -12.074
  442   1HG   LYS  59          2HG       LYS  59   2.875   9.007 -13.133
  443   2HG   LYS  59          1HG       LYS  59   2.779   8.359 -11.492
  444   1HD   LYS  59          2HD       LYS  59   0.880   9.881 -11.017
  445   2HD   LYS  59          1HD       LYS  59   0.963  10.491 -12.671
  446   1HE   LYS  59          2HE       LYS  59   0.342   8.377 -13.586
  447   2HE   LYS  59          1HE       LYS  59   0.614   7.552 -12.052
  448   1HZ   LYS  59          1HZ       LYS  59  -1.689   9.009 -12.965
  449   2HZ   LYS  59          2HZ       LYS  59  -1.187   9.460 -11.406
  450   3HZ   LYS  59          3HZ       LYS  59  -1.561   7.838 -11.745
  451    H    ASP  60           H        ASP  60   6.096  11.096  -9.732
  452    HA   ASP  60           HA       ASP  60   7.438   8.592  -9.926
  453   1HB   ASP  60          2HB       ASP  60   8.265  10.959  -8.209
  454   2HB   ASP  60          1HB       ASP  60   9.318   9.683  -8.814
  455    H    PHE  61           H        PHE  61   5.829  10.248  -7.263
  456    HA   PHE  61           HA       PHE  61   6.635   8.573  -5.128
  457   1HB   PHE  61          2HB       PHE  61   5.124  10.726  -5.143
  458   2HB   PHE  61          1HB       PHE  61   3.798   9.590  -5.365
  459    HD1  PHE  61           1HD      PHE  61   2.690   8.990  -3.397
  460    HD2  PHE  61           2HD      PHE  61   6.924   9.787  -3.249
  461    HE1  PHE  61           1HE      PHE  61   2.711   8.549  -0.956
  462    HE2  PHE  61           2HE      PHE  61   6.925   9.323  -0.822
  463    HZ   PHE  61           HZ       PHE  61   4.821   8.704   0.328
  464    H    ARG  62           H        ARG  62   4.038   8.188  -7.543
  465    HA   ARG  62           HA       ARG  62   2.924   5.762  -6.596
  466   1HB   ARG  62          2HB       ARG  62   2.043   7.023  -8.549
  467   2HB   ARG  62          1HB       ARG  62   3.450   6.541  -9.474
  468   1HG   ARG  62          2HG       ARG  62   2.047   4.238  -8.221
  469   2HG   ARG  62          1HG       ARG  62   1.074   5.128  -9.408
  470   1HD   ARG  62          2HD       ARG  62   3.894   4.256  -9.959
  471   2HD   ARG  62          1HD       ARG  62   2.508   3.232 -10.333
  472    HE   ARG  62           HE       ARG  62   1.924   5.679 -11.523
  473   1HH1  ARG  62          1HH2      ARG  62   4.482   3.369 -11.585
  474   2HH1  ARG  62          2HH2      ARG  62   4.966   3.747 -13.204
  475   1HH2  ARG  62          1HH1      ARG  62   2.546   6.191 -13.637
  476   2HH2  ARG  62          2HH1      ARG  62   3.866   5.342 -14.367
  477    H    HIS  63           H        HIS  63   5.986   6.415  -8.192
  478    HA   HIS  63           HA       HIS  63   6.667   3.726  -8.855
  479   1HB   HIS  63          2HB       HIS  63   8.001   5.922  -9.329
  480   2HB   HIS  63          1HB       HIS  63   8.687   5.679  -7.722
  481    HD1  HIS  63           1HD      HIS  63   8.141   3.563 -10.866
  482    HD2  HIS  63           2HD      HIS  63  10.931   4.079  -7.811
  483    HE1  HIS  63           1HE      HIS  63  10.063   1.998 -11.380
  484    H    GLY  64           H        GLY  64   6.661   5.543  -5.849
  485   1HA   GLY  64          2HA       GLY  64   8.004   3.532  -4.239
  486   2HA   GLY  64          1HA       GLY  64   7.033   4.869  -3.616
  487    H    PHE  65           H        PHE  65   4.549   4.450  -4.576
  488    HA   PHE  65           HA       PHE  65   3.533   2.239  -3.016
  489   1HB   PHE  65          2HB       PHE  65   2.489   4.338  -4.842
  490   2HB   PHE  65          1HB       PHE  65   1.513   2.883  -4.811
  491    HD1  PHE  65           1HD      PHE  65   2.486   5.883  -3.062
  492    HD2  PHE  65           2HD      PHE  65   0.603   2.057  -2.606
  493    HE1  PHE  65           1HE      PHE  65   1.413   6.659  -0.984
  494    HE2  PHE  65           2HE      PHE  65  -0.477   2.837  -0.510
  495    HZ   PHE  65           HZ       PHE  65  -0.077   5.149   0.299
  496    H    ASP  66           H        ASP  66   4.190   2.771  -6.432
  497    HA   ASP  66           HA       ASP  66   2.944   0.586  -7.571
  498   1HB   ASP  66          2HB       ASP  66   4.130   2.226  -8.912
  499   2HB   ASP  66          1HB       ASP  66   5.676   1.704  -8.242
  500    H    ILE  67           H        ILE  67   6.141   0.694  -5.976
  501    HA   ILE  67           HA       ILE  67   6.847  -2.042  -6.392
  502    HB   ILE  67           HB       ILE  67   7.567  -0.167  -4.124
  503   1HG1  ILE  67          2HG1      ILE  67   8.043   0.413  -6.680
  504   2HG1  ILE  67          1HG1      ILE  67   9.271   0.687  -5.460
  505   1HG2  ILE  67          1HG2      ILE  67   8.702  -2.813  -5.044
  506   2HG2  ILE  67          2HG2      ILE  67   8.154  -2.359  -3.429
  507   3HG2  ILE  67          3HG2      ILE  67   9.645  -1.676  -4.080
  508   1HD1  ILE  67          1HD1      ILE  67  10.514  -1.207  -6.109
  509   2HD1  ILE  67          2HD1      ILE  67   9.945  -0.556  -7.646
  510   3HD1  ILE  67          3HD1      ILE  67   9.133  -1.943  -6.922
  511    H    LEU  68           H        LEU  68   5.779  -0.567  -3.297
  512    HA   LEU  68           HA       LEU  68   5.234  -3.016  -2.026
  513   1HB   LEU  68          2HB       LEU  68   4.271  -1.780  -0.286
  514   2HB   LEU  68          1HB       LEU  68   5.325  -0.604  -1.068
  515    HG   LEU  68           HG       LEU  68   3.124  -0.065  -2.481
  516   1HD1  LEU  68          1HD1      LEU  68   1.085  -0.533  -1.481
  517   2HD1  LEU  68          2HD1      LEU  68   1.772  -0.632   0.140
  518   3HD1  LEU  68          3HD1      LEU  68   1.974  -1.966  -0.981
  519   1HD2  LEU  68          1HD2      LEU  68   3.480   0.901   0.387
  520   2HD2  LEU  68          2HD2      LEU  68   2.658   1.766  -0.908
  521   3HD2  LEU  68          3HD2      LEU  68   4.401   1.513  -0.986
  522    H    VAL  69           H        VAL  69   3.155  -1.147  -4.210
  523    HA   VAL  69           HA       VAL  69   0.803  -2.730  -3.743
  524    HB   VAL  69           HB       VAL  69   1.694  -0.930  -6.002
  525   1HG1  VAL  69          1HG1      VAL  69  -0.785  -2.625  -5.770
  526   2HG1  VAL  69          2HG1      VAL  69   0.322  -2.480  -7.133
  527   3HG1  VAL  69          3HG1      VAL  69  -0.756  -1.146  -6.729
  528   1HG2  VAL  69          1HG2      VAL  69  -0.463  -0.751  -3.876
  529   2HG2  VAL  69          2HG2      VAL  69  -0.166   0.464  -5.119
  530   3HG2  VAL  69          3HG2      VAL  69   1.053   0.145  -3.888
  531    H    GLY  70           H        GLY  70   3.721  -3.281  -5.514
  532   1HA   GLY  70          2HA       GLY  70   2.687  -5.244  -7.372
  533   2HA   GLY  70          1HA       GLY  70   4.383  -5.006  -6.966
  534    H    GLN  71           H        GLN  71   4.488  -5.622  -4.269
  535    HA   GLN  71           HA       GLN  71   4.267  -8.495  -4.385
  536   1HB   GLN  71          2HB       GLN  71   5.069  -8.508  -2.100
  537   2HB   GLN  71          1HB       GLN  71   5.965  -7.298  -2.987
  538   1HG   GLN  71          2HG       GLN  71   5.412  -6.087  -1.074
  539   2HG   GLN  71          1HG       GLN  71   4.074  -5.662  -2.136
  540   1HE2  GLN  71          1HE2      GLN  71   4.608  -8.732  -0.409
  541   2HE2  GLN  71          2HE2      GLN  71   3.188  -8.652   0.527
  542    H    ILE  72           H        ILE  72   2.050  -6.017  -3.487
  543    HA   ILE  72           HA       ILE  72   0.401  -7.491  -1.655
  544    HB   ILE  72           HB       ILE  72   0.015  -5.145  -3.500
  545   1HG1  ILE  72          2HG1      ILE  72  -0.852  -5.627  -0.639
  546   2HG1  ILE  72          1HG1      ILE  72   0.743  -5.043  -1.095
  547   1HG2  ILE  72          1HG2      ILE  72  -2.256  -6.864  -2.486
  548   2HG2  ILE  72          2HG2      ILE  72  -2.018  -6.202  -4.105
  549   3HG2  ILE  72          3HG2      ILE  72  -2.469  -5.141  -2.780
  550   1HD1  ILE  72          1HD1      ILE  72  -1.568  -3.557  -2.266
  551   2HD1  ILE  72          2HD1      ILE  72  -0.043  -2.944  -1.633
  552   3HD1  ILE  72          3HD1      ILE  72  -1.335  -3.389  -0.528
  553    H    ASP  73           H        ASP  73  -0.092  -6.900  -5.152
  554    HA   ASP  73           HA       ASP  73  -2.069  -8.913  -5.512
  555   1HB   ASP  73          2HB       ASP  73  -1.768  -8.561  -7.866
  556   2HB   ASP  73          1HB       ASP  73  -1.529  -7.010  -7.075
  557    H    ASP  74           H        ASP  74   1.496  -9.119  -5.630
  558    HA   ASP  74           HA       ASP  74   1.520 -11.648  -6.934
  559   1HB   ASP  74          2HB       ASP  74   3.543 -10.274  -6.592
  560   2HB   ASP  74          1HB       ASP  74   3.485 -10.632  -4.861
  561    H    ALA  75           H        ALA  75   0.627 -10.749  -3.697
  562    HA   ALA  75           HA       ALA  75   0.873 -13.435  -2.608
  563   1HB   ALA  75          1HB       ALA  75  -0.777 -12.608  -0.899
  564   2HB   ALA  75          2HB       ALA  75  -0.842 -11.078  -1.774
  565   3HB   ALA  75          3HB       ALA  75   0.667 -11.607  -1.030
  566    H    LEU  76           H        LEU  76  -1.454 -11.504  -4.341
  567    HA   LEU  76           HA       LEU  76  -3.751 -13.204  -4.305
  568   1HB   LEU  76          2HB       LEU  76  -3.313 -10.795  -5.275
  569   2HB   LEU  76          1HB       LEU  76  -2.866 -11.637  -6.749
  570    HG   LEU  76           HG       LEU  76  -5.506 -12.055  -5.321
  571   1HD1  LEU  76          1HD1      LEU  76  -6.536 -10.474  -6.769
  572   2HD1  LEU  76          2HD1      LEU  76  -5.108 -10.365  -7.795
  573   3HD1  LEU  76          3HD1      LEU  76  -5.090  -9.655  -6.185
  574   1HD2  LEU  76          1HD2      LEU  76  -6.136 -12.821  -7.684
  575   2HD2  LEU  76          2HD2      LEU  76  -5.054 -13.873  -6.782
  576   3HD2  LEU  76          3HD2      LEU  76  -4.408 -12.817  -8.033
  577    H    LYS  77           H        LYS  77  -0.859 -13.101  -6.290
  578    HA   LYS  77           HA       LYS  77  -1.478 -15.169  -8.126
  579   1HB   LYS  77          2HB       LYS  77   0.420 -13.375  -8.024
  580   2HB   LYS  77          1HB       LYS  77   1.296 -14.590  -7.105
  581   1HG   LYS  77          2HG       LYS  77   1.034 -16.183  -8.967
  582   2HG   LYS  77          1HG       LYS  77   0.135 -14.965  -9.870
  583   1HD   LYS  77          2HD       LYS  77   2.209 -14.450 -10.751
  584   2HD   LYS  77          1HD       LYS  77   2.396 -13.514  -9.260
  585   1HE   LYS  77          2HE       LYS  77   4.356 -14.898  -9.500
  586   2HE   LYS  77          1HE       LYS  77   3.385 -15.594  -8.203
  587   1HZ   LYS  77          1HZ       LYS  77   3.881 -17.423  -9.483
  588   2HZ   LYS  77          2HZ       LYS  77   3.787 -16.571 -10.949
  589   3HZ   LYS  77          3HZ       LYS  77   2.367 -16.980 -10.109
  590    H    LEU  78           H        LEU  78   0.243 -15.193  -5.061
  591    HA   LEU  78           HA       LEU  78   0.894 -17.948  -4.988
  592   1HB   LEU  78          2HB       LEU  78   0.815 -15.594  -3.233
  593   2HB   LEU  78          1HB       LEU  78   0.648 -17.094  -2.373
  594    HG   LEU  78           HG       LEU  78   2.716 -17.925  -3.592
  595   1HD1  LEU  78          1HD1      LEU  78   2.605 -16.292  -5.448
  596   2HD1  LEU  78          2HD1      LEU  78   4.150 -16.194  -4.604
  597   3HD1  LEU  78          3HD1      LEU  78   2.904 -14.981  -4.307
  598   1HD2  LEU  78          1HD2      LEU  78   3.055 -15.438  -1.904
  599   2HD2  LEU  78          2HD2      LEU  78   4.237 -16.727  -2.119
  600   3HD2  LEU  78          3HD2      LEU  78   2.727 -17.048  -1.268
  601    H    ALA  79           H        ALA  79  -1.718 -16.218  -3.236
  602    HA   ALA  79           HA       ALA  79  -3.051 -18.339  -2.091
  603   1HB   ALA  79          1HB       ALA  79  -4.564 -16.171  -3.555
  604   2HB   ALA  79          2HB       ALA  79  -3.683 -15.852  -2.061
  605   3HB   ALA  79          3HB       ALA  79  -5.019 -17.003  -2.068
  606    H    ASN  80           H        ASN  80  -3.121 -17.441  -5.535
  607    HA   ASN  80           HA       ASN  80  -5.226 -19.290  -6.245
  608   1HB   ASN  80          2HB       ASN  80  -2.967 -18.571  -8.117
  609   2HB   ASN  80          1HB       ASN  80  -4.665 -18.859  -8.496
  610   1HD2  ASN  80          1HD2      ASN  80  -5.806 -17.140  -6.406
  611   2HD2  ASN  80          2HD2      ASN  80  -5.411 -15.550  -6.818
  612    H    GLU  81           H        GLU  81  -1.819 -19.569  -5.617
  613    HA   GLU  81           HA       GLU  81  -1.662 -22.325  -6.667
  614   1HB   GLU  81          2HB       GLU  81   0.274 -20.713  -6.760
  615   2HB   GLU  81          1HB       GLU  81   0.355 -20.783  -5.001
  616   1HG   GLU  81          2HG       GLU  81   0.979 -23.068  -5.002
  617   2HG   GLU  81          1HG       GLU  81   0.464 -23.296  -6.673
  618    H    GLY  82           H        GLY  82  -3.112 -21.020  -4.053
  619   1HA   GLY  82          2HA       GLY  82  -4.103 -22.249  -2.267
  620   2HA   GLY  82          1HA       GLY  82  -2.956 -23.553  -2.549
  621    H    LYS  83           H        LYS  83  -2.201 -20.102  -1.970
  622    HA   LYS  83           HA       LYS  83  -0.538 -20.957   0.366
  623   1HB   LYS  83          2HB       LYS  83  -0.680 -18.295  -1.066
  624   2HB   LYS  83          1HB       LYS  83   0.509 -18.755   0.146
  625   1HG   LYS  83          2HG       LYS  83   0.242 -19.721  -2.685
  626   2HG   LYS  83          1HG       LYS  83   1.662 -19.079  -1.883
  627   1HD   LYS  83          2HD       LYS  83   1.627 -21.165  -0.418
  628   2HD   LYS  83          1HD       LYS  83   0.430 -21.818  -1.542
  629   1HE   LYS  83          2HE       LYS  83   2.709 -22.537  -2.157
  630   2HE   LYS  83          1HE       LYS  83   2.006 -21.512  -3.407
  631   1HZ   LYS  83          1HZ       LYS  83   3.730 -20.449  -1.247
  632   2HZ   LYS  83          2HZ       LYS  83   3.260 -19.675  -2.684
  633   3HZ   LYS  83          3HZ       LYS  83   4.351 -20.975  -2.735
  634    H    VAL  84           H        VAL  84  -2.922 -21.216   1.230
  635    HA   VAL  84           HA       VAL  84  -4.427 -18.931   2.006
  636    HB   VAL  84           HB       VAL  84  -4.163 -21.536   3.536
  637   1HG1  VAL  84          1HG1      VAL  84  -6.555 -20.950   4.146
  638   2HG1  VAL  84          2HG1      VAL  84  -6.267 -19.360   3.438
  639   3HG1  VAL  84          3HG1      VAL  84  -5.332 -19.884   4.837
  640   1HG2  VAL  84          1HG2      VAL  84  -6.214 -20.842   1.423
  641   2HG2  VAL  84          2HG2      VAL  84  -5.914 -22.413   2.161
  642   3HG2  VAL  84          3HG2      VAL  84  -4.736 -21.726   1.045
  643    H    LYS  85           H        LYS  85  -1.919 -20.718   3.850
  644    HA   LYS  85           HA       LYS  85  -2.026 -18.866   6.071
  645   1HB   LYS  85          2HB       LYS  85   0.385 -20.173   6.361
  646   2HB   LYS  85          1HB       LYS  85  -1.162 -20.819   6.896
  647   1HG   LYS  85          2HG       LYS  85  -1.381 -22.234   5.043
  648   2HG   LYS  85          1HG       LYS  85  -0.238 -21.315   4.076
  649   1HD   LYS  85          2HD       LYS  85   0.754 -23.440   4.846
  650   2HD   LYS  85          1HD       LYS  85   1.613 -22.053   5.512
  651   1HE   LYS  85          2HE       LYS  85  -0.656 -23.187   7.118
  652   2HE   LYS  85          1HE       LYS  85   0.856 -24.091   7.072
  653   1HZ   LYS  85          1HZ       LYS  85   0.591 -21.227   7.809
  654   2HZ   LYS  85          2HZ       LYS  85   2.035 -22.123   7.788
  655   3HZ   LYS  85          3HZ       LYS  85   0.808 -22.507   8.900
  656    H    GLU  86           H        GLU  86   0.342 -19.424   3.489
  657    HA   GLU  86           HA       GLU  86   2.108 -17.323   4.193
  658   1HB   GLU  86          2HB       GLU  86   1.708 -19.237   2.044
  659   2HB   GLU  86          1HB       GLU  86   2.196 -17.682   1.365
  660   1HG   GLU  86          2HG       GLU  86   3.675 -18.952   3.684
  661   2HG   GLU  86          1HG       GLU  86   4.075 -19.317   2.010
  662    H    ALA  87           H        ALA  87  -0.712 -17.348   2.000
  663    HA   ALA  87           HA       ALA  87  -0.413 -14.671   1.055
  664   1HB   ALA  87          1HB       ALA  87  -2.828 -14.784   0.531
  665   2HB   ALA  87          2HB       ALA  87  -2.970 -16.243   1.512
  666   3HB   ALA  87          3HB       ALA  87  -2.003 -16.260   0.036
  667    H    GLN  88           H        GLN  88  -2.220 -15.954   3.868
  668    HA   GLN  88           HA       GLN  88  -3.183 -13.395   4.753
  669   1HB   GLN  88          2HB       GLN  88  -2.863 -16.111   5.993
  670   2HB   GLN  88          1HB       GLN  88  -3.053 -14.752   7.095
  671   1HG   GLN  88          2HG       GLN  88  -5.107 -14.077   5.910
  672   2HG   GLN  88          1HG       GLN  88  -4.934 -15.461   4.830
  673   1HE2  GLN  88          1HE2      GLN  88  -5.633 -17.501   5.590
  674   2HE2  GLN  88          2HE2      GLN  88  -6.263 -17.767   7.143
  675    H    ALA  89           H        ALA  89  -0.204 -15.222   5.415
  676    HA   ALA  89           HA       ALA  89   0.858 -13.449   7.398
  677   1HB   ALA  89          1HB       ALA  89   1.806 -15.702   6.910
  678   2HB   ALA  89          2HB       ALA  89   3.036 -14.439   6.850
  679   3HB   ALA  89          3HB       ALA  89   2.379 -15.101   5.353
  680    H    ALA  90           H        ALA  90   1.031 -13.476   3.857
  681    HA   ALA  90           HA       ALA  90   2.825 -11.263   3.582
  682   1HB   ALA  90          1HB       ALA  90   2.085 -12.811   1.720
  683   2HB   ALA  90          2HB       ALA  90   1.995 -11.099   1.306
  684   3HB   ALA  90          3HB       ALA  90   0.529 -11.983   1.731
  685    H    ALA  91           H        ALA  91  -0.493 -11.567   4.464
  686    HA   ALA  91           HA       ALA  91  -1.399  -8.915   3.882
  687   1HB   ALA  91          1HB       ALA  91  -2.446 -10.368   6.289
  688   2HB   ALA  91          2HB       ALA  91  -2.618 -11.153   4.724
  689   3HB   ALA  91          3HB       ALA  91  -3.330  -9.576   4.988
  690    H    GLU  92           H        GLU  92  -0.063 -10.359   6.868
  691    HA   GLU  92           HA       GLU  92  -0.081  -7.937   8.390
  692   1HB   GLU  92          2HB       GLU  92   1.276 -10.600   8.606
  693   2HB   GLU  92          1HB       GLU  92   1.929  -9.285   9.582
  694   1HG   GLU  92          2HG       GLU  92  -0.020  -9.063  10.850
  695   2HG   GLU  92          1HG       GLU  92  -1.046  -9.757   9.595
  696    H    GLN  93           H        GLN  93   1.815  -8.881   5.723
  697    HA   GLN  93           HA       GLN  93   4.193  -7.352   6.431
  698   1HB   GLN  93          2HB       GLN  93   5.052  -8.315   4.527
  699   2HB   GLN  93          1HB       GLN  93   3.595  -9.281   4.528
  700   1HG   GLN  93          2HG       GLN  93   3.715  -8.449   2.326
  701   2HG   GLN  93          1HG       GLN  93   2.557  -7.357   3.067
  702   1HE2  GLN  93          1HE2      GLN  93   4.893  -6.102   4.640
  703   2HE2  GLN  93          2HE2      GLN  93   5.629  -5.068   3.499
  704    H    LEU  94           H        LEU  94   1.256  -6.842   4.559
  705    HA   LEU  94           HA       LEU  94   1.993  -4.197   3.761
  706   1HB   LEU  94          2HB       LEU  94   0.122  -5.915   2.880
  707   2HB   LEU  94          1HB       LEU  94  -0.898  -4.946   3.940
  708    HG   LEU  94           HG       LEU  94  -0.972  -4.029   1.696
  709   1HD1  LEU  94          1HD1      LEU  94  -0.830  -2.516   3.731
  710   2HD1  LEU  94          2HD1      LEU  94  -0.457  -1.784   2.172
  711   3HD1  LEU  94          3HD1      LEU  94   0.844  -2.232   3.267
  712   1HD2  LEU  94          1HD2      LEU  94   1.394  -4.975   1.146
  713   2HD2  LEU  94          2HD2      LEU  94   1.985  -3.434   1.771
  714   3HD2  LEU  94          3HD2      LEU  94   0.894  -3.457   0.419
  715    H    LYS  95           H        LYS  95   0.134  -5.464   6.485
  716    HA   LYS  95           HA       LYS  95  -0.873  -3.031   7.504
  717   1HB   LYS  95          2HB       LYS  95   0.170  -5.504   8.909
  718   2HB   LYS  95          1HB       LYS  95  -0.591  -4.170   9.779
  719   1HG   LYS  95          2HG       LYS  95  -2.681  -4.492   8.697
  720   2HG   LYS  95          1HG       LYS  95  -1.960  -5.481   7.430
  721   1HD   LYS  95          2HD       LYS  95  -2.412  -7.370   8.624
  722   2HD   LYS  95          1HD       LYS  95  -1.408  -6.795   9.949
  723   1HE   LYS  95          2HE       LYS  95  -3.423  -5.422  10.710
  724   2HE   LYS  95          1HE       LYS  95  -4.370  -6.334   9.534
  725   1HZ   LYS  95          1HZ       LYS  95  -3.476  -7.126  12.104
  726   2HZ   LYS  95          2HZ       LYS  95  -2.884  -8.196  10.924
  727   3HZ   LYS  95          3HZ       LYS  95  -4.555  -7.912  11.057
  728    H    THR  96           H        THR  96   2.088  -4.647   8.682
  729    HA   THR  96           HA       THR  96   3.083  -2.241   9.881
  730    HB   THR  96           HB       THR  96   4.934  -4.491   9.129
  731    HG1  THR  96           1HG      THR  96   4.056  -5.517  11.075
  732   1HG2  THR  96          1HG2      THR  96   5.898  -3.996  11.289
  733   2HG2  THR  96          2HG2      THR  96   4.524  -2.975  11.724
  734   3HG2  THR  96          3HG2      THR  96   5.641  -2.459  10.461
  735    H    THR  97           H        THR  97   3.187  -3.352   6.575
  736    HA   THR  97           HA       THR  97   5.629  -2.289   5.673
  737    HB   THR  97           HB       THR  97   2.919  -2.164   4.317
  738    HG1  THR  97           1HG      THR  97   5.045  -3.907   4.429
  739   1HG2  THR  97          1HG2      THR  97   4.385  -1.769   2.234
  740   2HG2  THR  97          2HG2      THR  97   5.624  -1.244   3.372
  741   3HG2  THR  97          3HG2      THR  97   4.084  -0.389   3.290
  742    H    ILE  98           H        ILE  98   2.510  -0.569   5.818
  743    HA   ILE  98           HA       ILE  98   3.532   2.037   5.399
  744    HB   ILE  98           HB       ILE  98   1.069   0.925   6.741
  745   1HG1  ILE  98          2HG1      ILE  98   0.237   2.447   4.593
  746   2HG1  ILE  98          1HG1      ILE  98   1.805   1.889   4.018
  747   1HG2  ILE  98          1HG2      ILE  98   0.313   3.479   6.414
  748   2HG2  ILE  98          2HG2      ILE  98   2.012   3.739   6.752
  749   3HG2  ILE  98          3HG2      ILE  98   1.016   2.891   7.918
  750   1HD1  ILE  98          1HD1      ILE  98   0.315   0.208   3.318
  751   2HD1  ILE  98          2HD1      ILE  98  -0.586   0.247   4.834
  752   3HD1  ILE  98          3HD1      ILE  98   1.031  -0.456   4.787
  753    H    ARG  99           H        ARG  99   2.826   0.374   8.519
  754    HA   ARG  99           HA       ARG  99   3.679   2.565  10.097
  755   1HB   ARG  99          2HB       ARG  99   2.598   0.132  10.644
  756   2HB   ARG  99          1HB       ARG  99   4.256  -0.179  11.136
  757   1HG   ARG  99          2HG       ARG  99   3.838   2.276  12.321
  758   2HG   ARG  99          1HG       ARG  99   2.212   1.601  12.365
  759   1HD   ARG  99          2HD       ARG  99   3.522   1.084  14.406
  760   2HD   ARG  99          1HD       ARG  99   3.016  -0.371  13.548
  761    HE   ARG  99           HE       ARG  99   5.522   0.112  12.513
  762   1HH1  ARG  99          1HH2      ARG  99   4.172  -0.095  15.679
  763   2HH1  ARG  99          2HH2      ARG  99   5.631  -0.676  16.406
  764   1HH2  ARG  99          1HH1      ARG  99   7.435  -0.646  13.444
  765   2HH2  ARG  99          2HH1      ARG  99   7.479  -0.993  15.141
  766    H    ALA 100           H        ALA 100   5.601  -0.287   9.061
  767    HA   ALA 100           HA       ALA 100   8.047   0.550  10.284
  768   1HB   ALA 100          1HB       ALA 100   7.772  -1.732   9.506
  769   2HB   ALA 100          2HB       ALA 100   9.124  -1.005   8.638
  770   3HB   ALA 100          3HB       ALA 100   7.557  -1.181   7.845
  771    H    TYR 101           H        TYR 101   6.627   1.307   7.183
  772    HA   TYR 101           HA       TYR 101   8.927   2.580   6.007
  773   1HB   TYR 101          2HB       TYR 101   5.974   2.471   5.482
  774   2HB   TYR 101          1HB       TYR 101   6.903   3.720   4.667
  775    HD1  TYR 101           1HD      TYR 101   8.278   0.388   5.523
  776    HD2  TYR 101           2HD      TYR 101   6.584   2.846   2.420
  777    HE1  TYR 101           1HE      TYR 101   9.003  -1.258   3.822
  778    HE2  TYR 101           2HE      TYR 101   7.318   1.193   0.724
  779    HH   TYR 101           HH       TYR 101   8.733  -0.591   0.386
  780    H    ASN 102           H        ASN 102   7.234   3.360   8.699
  781    HA   ASN 102           HA       ASN 102   7.444   5.313  10.063
  782   1HB   ASN 102          2HB       ASN 102   9.221   6.120   8.236
  783   2HB   ASN 102          1HB       ASN 102   7.881   7.079   7.638
  784   1HD2  ASN 102          1HD2      ASN 102   6.927   8.691   9.121
  785   2HD2  ASN 102          2HD2      ASN 102   7.827   9.277  10.437
  786    H    GLN 103           H        GLN 103   5.137   4.263   9.542
  787    HA   GLN 103           HA       GLN 103   2.929   4.525   8.939
  788   1HB   GLN 103          2HB       GLN 103   3.928   7.098  10.014
  789   2HB   GLN 103          1HB       GLN 103   2.395   7.192   9.143
  790   1HG   GLN 103          2HG       GLN 103   2.952   5.185  11.355
  791   2HG   GLN 103          1HG       GLN 103   2.170   6.749  11.639
  792   1HE2  GLN 103          1HE2      GLN 103   1.377   5.554   8.536
  793   2HE2  GLN 103          2HE2      GLN 103  -0.106   4.851   8.917
  794    H    LYS 104           H        LYS 104   4.301   4.053   6.931
  795    HA   LYS 104           HA       LYS 104   4.530   4.090   4.679
  796   1HB   LYS 104          2HB       LYS 104   2.231   4.205   4.503
  797   2HB   LYS 104          1HB       LYS 104   2.156   5.830   5.123
  798   1HG   LYS 104          2HG       LYS 104   1.766   5.616   2.631
  799   2HG   LYS 104          1HG       LYS 104   3.054   6.742   3.073
  800   1HD   LYS 104          2HD       LYS 104   4.760   5.214   2.404
  801   2HD   LYS 104          1HD       LYS 104   3.675   3.823   2.521
  802   1HE   LYS 104          2HE       LYS 104   2.687   4.264   0.463
  803   2HE   LYS 104          1HE       LYS 104   3.067   5.986   0.522
  804   1HZ   LYS 104          1HZ       LYS 104   5.422   5.394   0.265
  805   2HZ   LYS 104          2HZ       LYS 104   4.481   4.906  -1.062
  806   3HZ   LYS 104          3HZ       LYS 104   4.987   3.764   0.091
  807    H    TYR 105           H        TYR 105   3.853   7.606   5.280
  808    HA   TYR 105           HA       TYR 105   6.716   8.077   4.699
  809   1HB   TYR 105          2HB       TYR 105   4.744   8.358   2.662
  810   2HB   TYR 105          1HB       TYR 105   5.201   9.998   3.115
  811    HD1  TYR 105           1HD      TYR 105   6.583   6.684   2.120
  812    HD2  TYR 105           2HD      TYR 105   7.278  10.910   2.415
  813    HE1  TYR 105           1HE      TYR 105   8.702   6.419   0.879
  814    HE2  TYR 105           2HE      TYR 105   9.402  10.648   1.161
  815    HH   TYR 105           HH       TYR 105  10.938   9.118   0.454
  816    H    GLY 106           H        GLY 106   3.657   9.229   5.873
  817   1HA   GLY 106          2HA       GLY 106   3.099  11.122   7.166
  818   2HA   GLY 106          1HA       GLY 106   4.536  10.635   8.053
  Start of MODEL   13
    1    HA   ALA   1           HA       ALA   1 -17.490   8.942   2.409
    2   1HB   ALA   1          1HB       ALA   1 -17.447   8.847  -0.613
    3   2HB   ALA   1          2HB       ALA   1 -18.123   7.658   0.499
    4   3HB   ALA   1          3HB       ALA   1 -16.375   7.859   0.379
    5    H    ASP   2           H        ASP   2 -15.939  10.171   3.420
    6    HA   ASP   2           HA       ASP   2 -14.290  12.068   1.928
    7   1HB   ASP   2          2HB       ASP   2 -14.198  11.103   4.793
    8   2HB   ASP   2          1HB       ASP   2 -13.116  12.329   4.140
    9    H    LEU   3           H        LEU   3 -11.810  11.910   2.431
   10    HA   LEU   3           HA       LEU   3 -10.667   9.855   0.950
   11   1HB   LEU   3          2HB       LEU   3  -9.734  12.071   2.271
   12   2HB   LEU   3          1HB       LEU   3  -9.002  10.802   3.232
   13    HG   LEU   3           HG       LEU   3  -7.434  11.394   1.512
   14   1HD1  LEU   3          1HD1      LEU   3  -6.961   9.291   0.636
   15   2HD1  LEU   3          2HD1      LEU   3  -8.653   8.907   0.335
   16   3HD1  LEU   3          3HD1      LEU   3  -8.021   8.882   1.982
   17   1HD2  LEU   3          1HD2      LEU   3  -9.330  10.705  -0.718
   18   2HD2  LEU   3          2HD2      LEU   3  -7.916  11.749  -0.735
   19   3HD2  LEU   3          3HD2      LEU   3  -9.412  12.310   0.003
   20    H    GLU   4           H        GLU   4 -11.605   9.786   4.332
   21    HA   GLU   4           HA       GLU   4 -10.133   7.502   5.154
   22   1HB   GLU   4          2HB       GLU   4 -11.772   7.276   6.928
   23   2HB   GLU   4          1HB       GLU   4 -11.482   8.995   6.658
   24   1HG   GLU   4          2HG       GLU   4 -13.498   8.895   5.047
   25   2HG   GLU   4          1HG       GLU   4 -13.857   7.341   5.796
   26    H    ASP   5           H        ASP   5 -12.461   7.728   2.724
   27    HA   ASP   5           HA       ASP   5 -13.668   5.106   3.113
   28   1HB   ASP   5          2HB       ASP   5 -14.624   5.479   0.856
   29   2HB   ASP   5          1HB       ASP   5 -14.876   6.879   1.899
   30    H    ASN   6           H        ASN   6 -11.273   6.356   0.695
   31    HA   ASN   6           HA       ASN   6 -10.787   3.901  -0.596
   32   1HB   ASN   6          2HB       ASN   6  -9.351   5.343  -1.663
   33   2HB   ASN   6          1HB       ASN   6  -9.366   6.441  -0.289
   34   1HD2  ASN   6          1HD2      ASN   6  -8.011   5.311   1.680
   35   2HD2  ASN   6          2HD2      ASN   6  -6.475   4.779   1.209
   36    H    TRP   7           H        TRP   7  -9.711   5.125   2.482
   37    HA   TRP   7           HA       TRP   7  -7.910   3.061   3.237
   38   1HB   TRP   7          2HB       TRP   7  -9.516   5.182   4.568
   39   2HB   TRP   7          1HB       TRP   7  -9.120   3.833   5.616
   40    HD1  TRP   7           HD       TRP   7  -7.276   6.091   3.088
   41    HE1  TRP   7           1HE      TRP   7  -4.949   6.659   4.025
   42    HE3  TRP   7           3HE      TRP   7  -7.418   3.425   7.434
   43    HZ2  TRP   7           2HZ      TRP   7  -3.355   6.063   6.317
   44    HZ3  TRP   7           3HZ      TRP   7  -5.479   3.445   8.979
   45    HH2  TRP   7           HH       TRP   7  -3.449   4.760   8.425
   46    H    GLU   8           H        GLU   8 -11.437   3.365   3.474
   47    HA   GLU   8           HA       GLU   8 -11.979   1.059   5.023
   48   1HB   GLU   8          2HB       GLU   8 -13.617   2.857   4.357
   49   2HB   GLU   8          1HB       GLU   8 -13.683   2.106   2.768
   50   1HG   GLU   8          2HG       GLU   8 -14.263  -0.077   3.991
   51   2HG   GLU   8          1HG       GLU   8 -14.531   0.928   5.415
   52    H    THR   9           H        THR   9 -11.754   1.401   1.465
   53    HA   THR   9           HA       THR   9 -12.307  -1.290   0.796
   54    HB   THR   9           HB       THR   9 -10.148   0.338  -0.588
   55    HG1  THR   9           1HG      THR   9 -11.864   1.345  -1.697
   56   1HG2  THR   9          1HG2      THR   9 -10.584  -1.951  -1.391
   57   2HG2  THR   9          2HG2      THR   9 -11.102  -0.761  -2.586
   58   3HG2  THR   9          3HG2      THR   9 -12.294  -1.571  -1.569
   59    H    LEU  10           H        LEU  10  -9.149   0.243   1.350
   60    HA   LEU  10           HA       LEU  10  -7.647  -2.190   1.375
   61   1HB   LEU  10          2HB       LEU  10  -7.212   0.653   2.267
   62   2HB   LEU  10          1HB       LEU  10  -6.056  -0.569   2.773
   63    HG   LEU  10           HG       LEU  10  -6.095  -1.172   0.147
   64   1HD1  LEU  10          1HD1      LEU  10  -7.812   0.510  -0.414
   65   2HD1  LEU  10          2HD1      LEU  10  -6.282   0.885  -1.199
   66   3HD1  LEU  10          3HD1      LEU  10  -6.781   1.781   0.235
   67   1HD2  LEU  10          1HD2      LEU  10  -4.614   1.173   1.362
   68   2HD2  LEU  10          2HD2      LEU  10  -4.155   0.344  -0.126
   69   3HD2  LEU  10          3HD2      LEU  10  -4.106  -0.515   1.414
   70    H    ASN  11           H        ASN  11  -9.568  -0.568   3.794
   71    HA   ASN  11           HA       ASN  11  -8.351  -1.633   6.124
   72   1HB   ASN  11          2HB       ASN  11 -10.204   0.085   6.041
   73   2HB   ASN  11          1HB       ASN  11 -11.316  -1.253   5.713
   74   1HD2  ASN  11          1HD2      ASN  11  -8.682  -2.182   7.732
   75   2HD2  ASN  11          2HD2      ASN  11  -9.502  -2.119   9.212
   76    H    ASP  12           H        ASP  12 -11.359  -2.799   4.665
   77    HA   ASP  12           HA       ASP  12 -11.532  -5.239   6.039
   78   1HB   ASP  12          2HB       ASP  12 -12.410  -4.477   3.264
   79   2HB   ASP  12          1HB       ASP  12 -12.846  -6.011   4.008
   80    H    ASN  13           H        ASN  13  -9.370  -4.315   3.478
   81    HA   ASN  13           HA       ASN  13  -8.946  -6.980   2.499
   82   1HB   ASN  13          2HB       ASN  13  -7.418  -4.414   2.318
   83   2HB   ASN  13          1HB       ASN  13  -6.550  -5.893   1.950
   84   1HD2  ASN  13          1HD2      ASN  13  -9.330  -3.903   0.960
   85   2HD2  ASN  13          2HD2      ASN  13  -9.486  -4.592  -0.582
   86    H    LEU  14           H        LEU  14  -7.052  -5.066   4.893
   87    HA   LEU  14           HA       LEU  14  -5.317  -7.186   5.680
   88   1HB   LEU  14          2HB       LEU  14  -6.374  -4.801   7.215
   89   2HB   LEU  14          1HB       LEU  14  -5.197  -5.915   7.899
   90    HG   LEU  14           HG       LEU  14  -4.180  -3.841   6.914
   91   1HD1  LEU  14          1HD1      LEU  14  -2.982  -6.081   7.009
   92   2HD1  LEU  14          2HD1      LEU  14  -2.352  -4.912   5.860
   93   3HD1  LEU  14          3HD1      LEU  14  -3.336  -6.240   5.290
   94   1HD2  LEU  14          1HD2      LEU  14  -4.237  -3.401   4.590
   95   2HD2  LEU  14          2HD2      LEU  14  -5.887  -3.753   5.052
   96   3HD2  LEU  14          3HD2      LEU  14  -4.937  -4.977   4.219
   97    H    LYS  15           H        LYS  15  -8.562  -6.326   6.603
   98    HA   LYS  15           HA       LYS  15  -8.867  -7.860   8.946
   99   1HB   LYS  15          2HB       LYS  15 -10.475  -6.180   7.975
  100   2HB   LYS  15          1HB       LYS  15 -10.944  -7.390   6.787
  101   1HG   LYS  15          2HG       LYS  15 -11.385  -8.895   8.905
  102   2HG   LYS  15          1HG       LYS  15 -11.436  -7.355   9.753
  103   1HD   LYS  15          2HD       LYS  15 -13.693  -7.717   9.124
  104   2HD   LYS  15          1HD       LYS  15 -13.085  -6.585   7.913
  105   1HE   LYS  15          2HE       LYS  15 -13.060  -8.193   6.225
  106   2HE   LYS  15          1HE       LYS  15 -12.885  -9.538   7.349
  107   1HZ   LYS  15          1HZ       LYS  15 -15.124  -9.366   7.992
  108   2HZ   LYS  15          2HZ       LYS  15 -15.127  -9.279   6.295
  109   3HZ   LYS  15          3HZ       LYS  15 -15.325  -7.869   7.221
  110    H    VAL  16           H        VAL  16  -9.591  -8.896   5.567
  111    HA   VAL  16           HA       VAL  16 -10.322 -11.527   6.399
  112    HB   VAL  16           HB       VAL  16  -9.819 -10.104   3.844
  113   1HG1  VAL  16          1HG1      VAL  16  -9.868 -12.261   2.539
  114   2HG1  VAL  16          2HG1      VAL  16  -9.552 -13.118   4.047
  115   3HG1  VAL  16          3HG1      VAL  16  -8.358 -11.992   3.407
  116   1HG2  VAL  16          1HG2      VAL  16 -12.063 -10.409   4.771
  117   2HG2  VAL  16          2HG2      VAL  16 -11.854 -12.160   4.743
  118   3HG2  VAL  16          3HG2      VAL  16 -11.921 -11.253   3.229
  119    H    ILE  17           H        ILE  17  -7.175 -10.420   4.945
  120    HA   ILE  17           HA       ILE  17  -5.931 -12.937   5.111
  121    HB   ILE  17           HB       ILE  17  -4.034 -10.881   6.010
  122   1HG1  ILE  17          2HG1      ILE  17  -5.708 -10.243   3.560
  123   2HG1  ILE  17          1HG1      ILE  17  -5.716  -9.342   5.073
  124   1HG2  ILE  17          1HG2      ILE  17  -2.843 -11.520   4.032
  125   2HG2  ILE  17          2HG2      ILE  17  -4.302 -12.166   3.281
  126   3HG2  ILE  17          3HG2      ILE  17  -3.583 -12.991   4.663
  127   1HD1  ILE  17          1HD1      ILE  17  -3.181  -9.073   4.737
  128   2HD1  ILE  17          2HD1      ILE  17  -4.225  -8.143   3.662
  129   3HD1  ILE  17          3HD1      ILE  17  -3.464  -9.626   3.086
  130    H    GLU  18           H        GLU  18  -6.185 -10.450   7.639
  131    HA   GLU  18           HA       GLU  18  -4.863 -11.854   9.719
  132   1HB   GLU  18          2HB       GLU  18  -7.229  -9.952   9.799
  133   2HB   GLU  18          1HB       GLU  18  -6.391 -10.517  11.240
  134   1HG   GLU  18          2HG       GLU  18  -4.501  -9.459   9.235
  135   2HG   GLU  18          1HG       GLU  18  -5.700  -8.254   9.695
  136    H    LYS  19           H        LYS  19  -8.102 -12.164   8.366
  137    HA   LYS  19           HA       LYS  19  -8.611 -14.524  10.142
  138   1HB   LYS  19          2HB       LYS  19 -10.587 -12.460   9.119
  139   2HB   LYS  19          1HB       LYS  19 -11.006 -13.878  10.079
  140   1HG   LYS  19          2HG       LYS  19 -10.321 -12.900  12.041
  141   2HG   LYS  19          1HG       LYS  19  -8.867 -12.239  11.311
  142   1HD   LYS  19          2HD       LYS  19 -10.258 -10.401  12.034
  143   2HD   LYS  19          1HD       LYS  19 -10.271 -10.427  10.271
  144   1HE   LYS  19          2HE       LYS  19 -12.549 -10.127  10.990
  145   2HE   LYS  19          1HE       LYS  19 -12.413 -11.793  10.426
  146   1HZ   LYS  19          1HZ       LYS  19 -12.692 -10.768  13.155
  147   2HZ   LYS  19          2HZ       LYS  19 -11.794 -12.193  12.924
  148   3HZ   LYS  19          3HZ       LYS  19 -13.418 -12.117  12.428
  149    H    ALA  20           H        ALA  20  -7.357 -14.709   7.603
  150    HA   ALA  20           HA       ALA  20  -9.188 -15.158   5.457
  151   1HB   ALA  20          1HB       ALA  20  -7.306 -15.676   4.250
  152   2HB   ALA  20          2HB       ALA  20  -6.719 -16.819   5.461
  153   3HB   ALA  20          3HB       ALA  20  -6.461 -15.095   5.682
  154    H    ASP  21           H        ASP  21  -8.146 -17.219   8.088
  155    HA   ASP  21           HA       ASP  21  -9.018 -19.266   8.834
  156   1HB   ASP  21          2HB       ASP  21 -10.974 -19.304   6.537
  157   2HB   ASP  21          1HB       ASP  21 -11.169 -19.924   8.176
  158    H    ASN  22           H        ASN  22  -8.462 -18.801   5.389
  159    HA   ASN  22           HA       ASN  22  -6.844 -21.264   5.335
  160   1HB   ASN  22          2HB       ASN  22  -9.073 -20.945   3.312
  161   2HB   ASN  22          1HB       ASN  22  -8.018 -22.339   3.545
  162   1HD2  ASN  22          1HD2      ASN  22 -10.798 -20.618   4.846
  163   2HD2  ASN  22          2HD2      ASN  22 -11.263 -21.818   5.952
  164    H    ALA  23           H        ALA  23  -5.356 -21.277   3.574
  165    HA   ALA  23           HA       ALA  23  -4.361 -18.798   2.700
  166   1HB   ALA  23          1HB       ALA  23  -2.895 -20.017   1.332
  167   2HB   ALA  23          2HB       ALA  23  -4.094 -21.262   0.980
  168   3HB   ALA  23          3HB       ALA  23  -3.330 -21.197   2.567
  169    H    ALA  24           H        ALA  24  -7.079 -20.584   1.514
  170    HA   ALA  24           HA       ALA  24  -7.147 -19.546  -1.158
  171   1HB   ALA  24          1HB       ALA  24  -9.363 -20.407  -1.265
  172   2HB   ALA  24          2HB       ALA  24  -9.586 -20.267   0.479
  173   3HB   ALA  24          3HB       ALA  24  -8.503 -21.495  -0.177
  174    H    GLN  25           H        GLN  25  -8.905 -18.457   1.798
  175    HA   GLN  25           HA       GLN  25 -10.074 -16.187   0.487
  176   1HB   GLN  25          2HB       GLN  25  -9.541 -16.834   3.383
  177   2HB   GLN  25          1HB       GLN  25 -10.326 -15.338   2.893
  178   1HG   GLN  25          2HG       GLN  25 -12.324 -16.408   2.625
  179   2HG   GLN  25          1HG       GLN  25 -11.604 -17.573   1.521
  180   1HE2  GLN  25          1HE2      GLN  25 -11.060 -19.659   2.346
  181   2HE2  GLN  25          2HE2      GLN  25 -11.429 -20.146   3.929
  182    H    VAL  26           H        VAL  26  -6.847 -16.733   1.547
  183    HA   VAL  26           HA       VAL  26  -6.171 -13.980   2.109
  184    HB   VAL  26           HB       VAL  26  -4.594 -16.463   1.427
  185   1HG1  VAL  26          1HG1      VAL  26  -2.552 -14.964   1.991
  186   2HG1  VAL  26          2HG1      VAL  26  -3.618 -13.622   1.581
  187   3HG1  VAL  26          3HG1      VAL  26  -3.248 -14.853   0.376
  188   1HG2  VAL  26          1HG2      VAL  26  -3.582 -15.833   3.730
  189   2HG2  VAL  26          2HG2      VAL  26  -5.211 -16.495   3.693
  190   3HG2  VAL  26          3HG2      VAL  26  -4.972 -14.759   3.888
  191    H    LYS  27           H        LYS  27  -5.650 -16.098  -0.723
  192    HA   LYS  27           HA       LYS  27  -4.602 -14.193  -2.497
  193   1HB   LYS  27          2HB       LYS  27  -6.561 -16.417  -3.136
  194   2HB   LYS  27          1HB       LYS  27  -5.514 -15.607  -4.300
  195   1HG   LYS  27          2HG       LYS  27  -3.538 -16.376  -3.052
  196   2HG   LYS  27          1HG       LYS  27  -4.580 -17.199  -1.902
  197   1HD   LYS  27          2HD       LYS  27  -3.846 -18.851  -3.491
  198   2HD   LYS  27          1HD       LYS  27  -5.547 -18.522  -3.804
  199   1HE   LYS  27          2HE       LYS  27  -3.762 -16.747  -5.343
  200   2HE   LYS  27          1HE       LYS  27  -3.531 -18.450  -5.714
  201   1HZ   LYS  27          1HZ       LYS  27  -6.288 -17.853  -5.478
  202   2HZ   LYS  27          2HZ       LYS  27  -5.440 -18.502  -6.800
  203   3HZ   LYS  27          3HZ       LYS  27  -5.560 -16.818  -6.607
  204    H    ASP  28           H        ASP  28  -7.895 -14.804  -1.523
  205    HA   ASP  28           HA       ASP  28  -9.250 -13.196  -3.445
  206   1HB   ASP  28          2HB       ASP  28 -10.025 -14.782  -1.374
  207   2HB   ASP  28          1HB       ASP  28 -10.316 -13.219  -0.651
  208    H    ALA  29           H        ALA  29  -8.464 -12.304  -0.079
  209    HA   ALA  29           HA       ALA  29  -9.086  -9.568  -0.322
  210   1HB   ALA  29          1HB       ALA  29  -8.686 -10.322   1.853
  211   2HB   ALA  29          2HB       ALA  29  -7.284  -9.309   1.538
  212   3HB   ALA  29          3HB       ALA  29  -7.150 -11.066   1.428
  213    H    LEU  30           H        LEU  30  -5.866 -11.084  -0.787
  214    HA   LEU  30           HA       LEU  30  -4.537  -8.679  -1.415
  215   1HB   LEU  30          2HB       LEU  30  -4.014 -11.523  -2.270
  216   2HB   LEU  30          1HB       LEU  30  -2.911 -10.197  -2.677
  217    HG   LEU  30           HG       LEU  30  -3.807 -10.636   0.188
  218   1HD1  LEU  30          1HD1      LEU  30  -2.762 -12.758  -0.812
  219   2HD1  LEU  30          2HD1      LEU  30  -1.994 -12.100   0.628
  220   3HD1  LEU  30          3HD1      LEU  30  -1.280 -11.816  -0.953
  221   1HD2  LEU  30          1HD2      LEU  30  -1.476  -9.256  -1.180
  222   2HD2  LEU  30          2HD2      LEU  30  -1.460  -9.631   0.539
  223   3HD2  LEU  30          3HD2      LEU  30  -2.683  -8.548  -0.110
  224    H    THR  31           H        THR  31  -6.565 -10.725  -3.437
  225    HA   THR  31           HA       THR  31  -5.843  -9.480  -5.924
  226    HB   THR  31           HB       THR  31  -8.235 -11.075  -4.999
  227    HG1  THR  31           1HG      THR  31  -6.354 -12.219  -5.368
  228   1HG2  THR  31          1HG2      THR  31  -8.790 -11.144  -7.493
  229   2HG2  THR  31          2HG2      THR  31  -7.743  -9.733  -7.651
  230   3HG2  THR  31          3HG2      THR  31  -9.185  -9.653  -6.640
  231    H    LYS  32           H        LYS  32  -8.171  -8.688  -3.365
  232    HA   LYS  32           HA       LYS  32  -9.454  -6.588  -4.928
  233   1HB   LYS  32          2HB       LYS  32  -9.438  -6.437  -1.920
  234   2HB   LYS  32          1HB       LYS  32 -10.746  -6.099  -3.046
  235   1HG   LYS  32          2HG       LYS  32  -9.688  -8.866  -2.464
  236   2HG   LYS  32          1HG       LYS  32 -11.078  -8.172  -1.664
  237   1HD   LYS  32          2HD       LYS  32 -12.449  -8.444  -3.491
  238   2HD   LYS  32          1HD       LYS  32 -11.175  -8.068  -4.642
  239   1HE   LYS  32          2HE       LYS  32 -10.408 -10.268  -4.723
  240   2HE   LYS  32          1HE       LYS  32 -11.035 -10.667  -3.124
  241   1HZ   LYS  32          1HZ       LYS  32 -13.030  -9.878  -5.064
  242   2HZ   LYS  32          2HZ       LYS  32 -13.043 -11.155  -3.944
  243   3HZ   LYS  32          3HZ       LYS  32 -12.228 -11.329  -5.425
  244    H    MET  33           H        MET  33  -6.775  -6.820  -2.644
  245    HA   MET  33           HA       MET  33  -6.225  -4.052  -2.347
  246   1HB   MET  33          2HB       MET  33  -4.627  -6.571  -2.261
  247   2HB   MET  33          1HB       MET  33  -3.733  -5.068  -2.376
  248   1HG   MET  33          2HG       MET  33  -5.172  -4.280  -0.358
  249   2HG   MET  33          1HG       MET  33  -5.531  -5.990  -0.137
  250   1HE   MET  33          1HE       MET  33  -4.280  -6.123   2.317
  251   2HE   MET  33          2HE       MET  33  -2.829  -7.073   2.040
  252   3HE   MET  33          3HE       MET  33  -4.304  -7.456   1.158
  253    H    ARG  34           H        ARG  34  -5.282  -6.369  -4.908
  254    HA   ARG  34           HA       ARG  34  -3.627  -4.761  -6.482
  255   1HB   ARG  34          2HB       ARG  34  -5.271  -7.096  -6.803
  256   2HB   ARG  34          1HB       ARG  34  -5.523  -6.093  -8.219
  257   1HG   ARG  34          2HG       ARG  34  -3.680  -7.608  -8.653
  258   2HG   ARG  34          1HG       ARG  34  -3.053  -5.971  -8.501
  259   1HD   ARG  34          2HD       ARG  34  -3.117  -7.411  -5.926
  260   2HD   ARG  34          1HD       ARG  34  -2.059  -8.160  -7.125
  261    HE   ARG  34           HE       ARG  34  -1.525  -5.697  -5.756
  262   1HH1  ARG  34          1HH2      ARG  34  -1.406  -7.237  -8.839
  263   2HH1  ARG  34          2HH2      ARG  34  -0.008  -6.363  -9.370
  264   1HH2  ARG  34          1HH1      ARG  34   0.307  -4.570  -6.422
  265   2HH2  ARG  34          2HH1      ARG  34   0.962  -4.852  -8.001
  266    H    ALA  35           H        ALA  35  -7.171  -4.933  -6.543
  267    HA   ALA  35           HA       ALA  35  -7.494  -2.719  -8.381
  268   1HB   ALA  35          1HB       ALA  35  -9.489  -3.835  -6.385
  269   2HB   ALA  35          2HB       ALA  35  -9.220  -4.485  -8.003
  270   3HB   ALA  35          3HB       ALA  35  -9.863  -2.854  -7.802
  271    H    ALA  36           H        ALA  36  -8.034  -3.001  -4.861
  272    HA   ALA  36           HA       ALA  36  -8.524  -0.217  -4.425
  273   1HB   ALA  36          1HB       ALA  36  -7.273  -1.933  -2.300
  274   2HB   ALA  36          2HB       ALA  36  -8.870  -2.358  -2.909
  275   3HB   ALA  36          3HB       ALA  36  -8.604  -0.780  -2.173
  276    H    ALA  37           H        ALA  37  -5.599  -2.022  -4.925
  277    HA   ALA  37           HA       ALA  37  -3.736  -0.314  -3.561
  278   1HB   ALA  37          1HB       ALA  37  -3.515  -2.269  -5.842
  279   2HB   ALA  37          2HB       ALA  37  -2.902  -2.419  -4.197
  280   3HB   ALA  37          3HB       ALA  37  -2.126  -1.318  -5.332
  281    H    LEU  38           H        LEU  38  -4.090  -0.552  -7.118
  282    HA   LEU  38           HA       LEU  38  -2.831   1.981  -7.538
  283   1HB   LEU  38          2HB       LEU  38  -4.710   0.417  -9.321
  284   2HB   LEU  38          1HB       LEU  38  -3.843   1.870  -9.827
  285    HG   LEU  38           HG       LEU  38  -2.174  -0.290  -8.567
  286   1HD1  LEU  38          1HD1      LEU  38  -3.444  -0.547 -11.310
  287   2HD1  LEU  38          2HD1      LEU  38  -3.531  -1.696  -9.975
  288   3HD1  LEU  38          3HD1      LEU  38  -2.003  -1.437 -10.818
  289   1HD2  LEU  38          1HD2      LEU  38  -0.580   0.446 -10.292
  290   2HD2  LEU  38          2HD2      LEU  38  -1.221   1.843  -9.425
  291   3HD2  LEU  38          3HD2      LEU  38  -1.823   1.452 -11.036
  292    H    ASP  39           H        ASP  39  -6.121   1.095  -6.743
  293    HA   ASP  39           HA       ASP  39  -7.421   3.502  -7.607
  294   1HB   ASP  39          2HB       ASP  39  -8.587   1.436  -6.657
  295   2HB   ASP  39          1HB       ASP  39  -8.032   1.955  -5.065
  296    H    ALA  40           H        ALA  40  -5.486   2.560  -4.846
  297    HA   ALA  40           HA       ALA  40  -5.743   5.005  -3.372
  298   1HB   ALA  40          1HB       ALA  40  -3.940   4.233  -2.061
  299   2HB   ALA  40          2HB       ALA  40  -3.247   3.307  -3.393
  300   3HB   ALA  40          3HB       ALA  40  -4.721   2.749  -2.602
  301    H    GLN  41           H        GLN  41  -3.878   4.019  -6.214
  302    HA   GLN  41           HA       GLN  41  -1.887   6.039  -6.271
  303   1HB   GLN  41          2HB       GLN  41  -2.530   4.182  -8.101
  304   2HB   GLN  41          1HB       GLN  41  -3.464   5.502  -8.796
  305   1HG   GLN  41          2HG       GLN  41  -0.493   5.670  -8.144
  306   2HG   GLN  41          1HG       GLN  41  -1.160   5.345  -9.744
  307   1HE2  GLN  41          1HE2      GLN  41  -3.421   7.173  -9.567
  308   2HE2  GLN  41          2HE2      GLN  41  -2.796   8.752  -9.583
  309    H    LYS  42           H        LYS  42  -5.300   6.145  -6.513
  310    HA   LYS  42           HA       LYS  42  -5.284   9.100  -7.021
  311   1HB   LYS  42          2HB       LYS  42  -7.877   7.691  -7.278
  312   2HB   LYS  42          1HB       LYS  42  -7.115   8.828  -8.381
  313   1HG   LYS  42          2HG       LYS  42  -5.575   6.927  -9.086
  314   2HG   LYS  42          1HG       LYS  42  -6.614   5.854  -8.153
  315   1HD   LYS  42          2HD       LYS  42  -7.621   5.671 -10.239
  316   2HD   LYS  42          1HD       LYS  42  -8.558   6.995  -9.551
  317   1HE   LYS  42          2HE       LYS  42  -7.182   8.631 -10.717
  318   2HE   LYS  42          1HE       LYS  42  -6.108   7.359 -11.304
  319   1HZ   LYS  42          1HZ       LYS  42  -7.872   6.429 -12.583
  320   2HZ   LYS  42          2HZ       LYS  42  -7.803   8.089 -12.939
  321   3HZ   LYS  42          3HZ       LYS  42  -9.012   7.488 -11.907
  322    H    ALA  43           H        ALA  43  -6.295  10.384  -5.443
  323    HA   ALA  43           HA       ALA  43  -7.284  10.923  -3.382
  324   1HB   ALA  43          1HB       ALA  43  -9.062   9.346  -4.522
  325   2HB   ALA  43          2HB       ALA  43  -9.227   9.758  -2.821
  326   3HB   ALA  43          3HB       ALA  43  -8.557   8.197  -3.285
  327    H    THR  44           H        THR  44  -5.463  10.947  -2.060
  328    HA   THR  44           HA       THR  44  -5.007   8.518  -0.398
  329    HB   THR  44           HB       THR  44  -2.518   9.073  -0.646
  330    HG1  THR  44           1HG      THR  44  -2.569  10.102  -3.005
  331   1HG2  THR  44          1HG2      THR  44  -4.021   8.288  -3.126
  332   2HG2  THR  44          2HG2      THR  44  -3.688   7.188  -1.788
  333   3HG2  THR  44          3HG2      THR  44  -2.362   7.845  -2.744
  334    HA   PRO  45           HA       PRO  45  -5.056  11.043   3.211
  335   1HB   PRO  45          2HB       PRO  45  -2.123  10.351   3.477
  336   2HB   PRO  45          1HB       PRO  45  -3.379  10.433   4.730
  337   1HG   PRO  45          2HG       PRO  45  -2.671   8.103   3.695
  338   2HG   PRO  45          1HG       PRO  45  -4.372   8.455   4.055
  339   1HD   PRO  45          2HD       PRO  45  -3.017   8.277   1.410
  340   2HD   PRO  45          1HD       PRO  45  -4.723   7.995   1.816
  341    HA   PRO  46           HA       PRO  46  -2.177  14.500   1.821
  342   1HB   PRO  46          2HB       PRO  46  -0.043  13.889   0.135
  343   2HB   PRO  46          1HB       PRO  46   0.020  13.788   1.905
  344   1HG   PRO  46          2HG       PRO  46   0.188  11.617   0.069
  345   2HG   PRO  46          1HG       PRO  46   0.072  11.521   1.833
  346   1HD   PRO  46          2HD       PRO  46  -2.111  11.313  -0.203
  347   2HD   PRO  46          1HD       PRO  46  -1.907  10.431   1.325
  348    H    LYS  47           H        LYS  47  -3.847  12.680  -0.256
  349    HA   LYS  47           HA       LYS  47  -4.621  12.874  -2.436
  350   1HB   LYS  47          2HB       LYS  47  -4.803  15.786  -2.565
  351   2HB   LYS  47          1HB       LYS  47  -6.093  14.603  -2.460
  352   1HG   LYS  47          2HG       LYS  47  -6.516  15.510  -0.416
  353   2HG   LYS  47          1HG       LYS  47  -5.139  14.593   0.140
  354   1HD   LYS  47          2HD       LYS  47  -4.520  16.725   0.863
  355   2HD   LYS  47          1HD       LYS  47  -3.768  16.735  -0.733
  356   1HE   LYS  47          2HE       LYS  47  -5.668  17.928  -1.675
  357   2HE   LYS  47          1HE       LYS  47  -6.552  17.807  -0.153
  358   1HZ   LYS  47          1HZ       LYS  47  -4.151  18.910   0.534
  359   2HZ   LYS  47          2HZ       LYS  47  -5.626  19.736   0.371
  360   3HZ   LYS  47          3HZ       LYS  47  -4.537  19.671  -0.931
  361    H    LEU  48           H        LEU  48  -1.618  13.237  -2.001
  362    HA   LEU  48           HA       LEU  48   0.263  14.054  -3.145
  363   1HB   LEU  48          2HB       LEU  48  -0.654  12.060  -4.473
  364   2HB   LEU  48          1HB       LEU  48  -1.339  13.235  -5.585
  365    HG   LEU  48           HG       LEU  48   0.865  12.331  -6.342
  366   1HD1  LEU  48          1HD1      LEU  48   1.644  14.350  -7.201
  367   2HD1  LEU  48          2HD1      LEU  48   1.302  15.244  -5.724
  368   3HD1  LEU  48          3HD1      LEU  48  -0.017  14.751  -6.784
  369   1HD2  LEU  48          1HD2      LEU  48   1.714  12.343  -3.828
  370   2HD2  LEU  48          2HD2      LEU  48   2.273  13.965  -4.247
  371   3HD2  LEU  48          3HD2      LEU  48   2.845  12.573  -5.159
  372    H    GLU  49           H        GLU  49  -2.124  14.894  -5.667
  373    HA   GLU  49           HA       GLU  49  -0.914  17.411  -6.191
  374   1HB   GLU  49          2HB       GLU  49  -3.830  16.758  -6.617
  375   2HB   GLU  49          1HB       GLU  49  -2.874  17.968  -7.461
  376   1HG   GLU  49          2HG       GLU  49  -2.949  16.153  -8.973
  377   2HG   GLU  49          1HG       GLU  49  -1.369  16.007  -8.206
  378    H    ASP  50           H        ASP  50  -0.597  18.180  -4.036
  379    HA   ASP  50           HA       ASP  50  -2.995  19.117  -2.553
  380   1HB   ASP  50          2HB       ASP  50  -1.153  17.879  -1.366
  381   2HB   ASP  50          1HB       ASP  50  -0.077  19.228  -1.731
  382    H    LYS  51           H        LYS  51  -3.363  20.762  -4.247
  383    HA   LYS  51           HA       LYS  51  -3.497  23.195  -4.363
  384   1HB   LYS  51          2HB       LYS  51  -1.755  24.622  -3.798
  385   2HB   LYS  51          1HB       LYS  51  -1.523  23.334  -2.635
  386   1HG   LYS  51          2HG       LYS  51   0.053  22.358  -4.625
  387   2HG   LYS  51          1HG       LYS  51   0.106  24.064  -5.059
  388   1HD   LYS  51          2HD       LYS  51   0.924  24.674  -2.839
  389   2HD   LYS  51          1HD       LYS  51   0.803  23.002  -2.300
  390   1HE   LYS  51          2HE       LYS  51   2.605  22.307  -3.630
  391   2HE   LYS  51          1HE       LYS  51   2.459  23.682  -4.725
  392   1HZ   LYS  51          1HZ       LYS  51   3.803  23.488  -2.163
  393   2HZ   LYS  51          2HZ       LYS  51   2.930  24.924  -2.418
  394   3HZ   LYS  51          3HZ       LYS  51   4.155  24.465  -3.504
  395    H    SER  52           H        SER  52  -1.728  20.847  -5.872
  396    HA   SER  52           HA       SER  52  -1.507  20.481  -8.185
  397   1HB   SER  52          2HB       SER  52  -3.039  22.599  -8.370
  398   2HB   SER  52          1HB       SER  52  -1.534  23.419  -8.785
  399    HG   SER  52           HG       SER  52  -1.818  21.024 -10.048
  400    HA   PRO  53           HA       PRO  53   2.798  21.630  -6.810
  401   1HB   PRO  53          2HB       PRO  53   3.092  18.753  -7.631
  402   2HB   PRO  53          1HB       PRO  53   3.753  19.589  -6.217
  403   1HG   PRO  53          2HG       PRO  53   1.692  17.954  -5.961
  404   2HG   PRO  53          1HG       PRO  53   1.746  19.483  -5.058
  405   1HD   PRO  53          2HD       PRO  53   0.187  18.824  -7.547
  406   2HD   PRO  53          1HD       PRO  53  -0.313  19.764  -6.118
  407    H    ASP  54           H        ASP  54   2.638  19.111  -9.318
  408    HA   ASP  54           HA       ASP  54   3.636  21.055 -11.362
  409   1HB   ASP  54          2HB       ASP  54   4.688  18.219 -11.021
  410   2HB   ASP  54          1HB       ASP  54   5.297  19.472 -12.113
  411    H    SER  55           H        SER  55   2.613  17.684 -10.911
  412    HA   SER  55           HA       SER  55   0.508  16.840 -11.707
  413   1HB   SER  55          2HB       SER  55  -0.549  17.522 -13.723
  414   2HB   SER  55          1HB       SER  55  -0.111  18.978 -12.847
  415    HG   SER  55           HG       SER  55   0.736  18.020 -15.274
  416    HA   PRO  56           HA       PRO  56   2.930  14.564 -15.112
  417   1HB   PRO  56          2HB       PRO  56   5.717  15.526 -15.040
  418   2HB   PRO  56          1HB       PRO  56   4.628  15.394 -16.435
  419   1HG   PRO  56          2HG       PRO  56   5.420  17.768 -15.398
  420   2HG   PRO  56          1HG       PRO  56   3.849  17.536 -16.189
  421   1HD   PRO  56          2HD       PRO  56   4.487  17.616 -13.254
  422   2HD   PRO  56          1HD       PRO  56   3.140  18.347 -14.133
  423    H    GLU  57           H        GLU  57   5.022  15.779 -12.506
  424    HA   GLU  57           HA       GLU  57   6.263  13.301 -11.864
  425   1HB   GLU  57          2HB       GLU  57   6.019  15.975 -10.633
  426   2HB   GLU  57          1HB       GLU  57   6.198  14.684  -9.448
  427   1HG   GLU  57          2HG       GLU  57   8.408  15.504 -10.064
  428   2HG   GLU  57          1HG       GLU  57   8.208  13.870 -10.703
  429    H    MET  58           H        MET  58   3.049  14.009 -11.766
  430    HA   MET  58           HA       MET  58   2.244  12.940  -9.230
  431   1HB   MET  58          2HB       MET  58   0.645  14.172 -10.567
  432   2HB   MET  58          1HB       MET  58   0.827  13.050 -11.913
  433   1HG   MET  58          2HG       MET  58  -0.207  11.264 -10.654
  434   2HG   MET  58          1HG       MET  58  -0.185  12.228  -9.178
  435   1HE   MET  58          1HE       MET  58  -1.424  11.912 -12.785
  436   2HE   MET  58          2HE       MET  58  -3.145  12.244 -12.601
  437   3HE   MET  58          3HE       MET  58  -2.421  10.883 -11.748
  438    H    LYS  59           H        LYS  59   2.410  11.332 -12.461
  439    HA   LYS  59           HA       LYS  59   1.805   8.748 -11.483
  440   1HB   LYS  59          2HB       LYS  59   2.373   9.689 -13.967
  441   2HB   LYS  59          1HB       LYS  59   3.909   8.906 -13.607
  442   1HG   LYS  59          2HG       LYS  59   2.720   7.114 -14.534
  443   2HG   LYS  59          1HG       LYS  59   2.347   6.887 -12.822
  444   1HD   LYS  59          2HD       LYS  59   0.238   8.139 -13.117
  445   2HD   LYS  59          1HD       LYS  59   0.607   8.363 -14.828
  446   1HE   LYS  59          2HE       LYS  59   0.494   5.996 -15.244
  447   2HE   LYS  59          1HE       LYS  59   0.405   5.641 -13.519
  448   1HZ   LYS  59          1HZ       LYS  59  -1.652   6.743 -15.299
  449   2HZ   LYS  59          2HZ       LYS  59  -1.678   7.172 -13.655
  450   3HZ   LYS  59          3HZ       LYS  59  -1.787   5.539 -14.114
  451    H    ASP  60           H        ASP  60   4.785  10.629 -11.331
  452    HA   ASP  60           HA       ASP  60   6.574   8.548 -10.590
  453   1HB   ASP  60          2HB       ASP  60   7.027  11.131 -10.900
  454   2HB   ASP  60          1HB       ASP  60   6.643  11.226  -9.183
  455    H    PHE  61           H        PHE  61   4.063  10.268  -8.840
  456    HA   PHE  61           HA       PHE  61   4.619   9.316  -6.227
  457   1HB   PHE  61          2HB       PHE  61   2.891  11.076  -6.931
  458   2HB   PHE  61          1HB       PHE  61   1.846   9.738  -7.380
  459    HD1  PHE  61           1HD      PHE  61   0.187   9.324  -5.810
  460    HD2  PHE  61           2HD      PHE  61   4.100  10.471  -4.412
  461    HE1  PHE  61           1HE      PHE  61  -0.574   9.127  -3.470
  462    HE2  PHE  61           2HE      PHE  61   3.327  10.243  -2.077
  463    HZ   PHE  61           HZ       PHE  61   0.989   9.575  -1.601
  464    H    ARG  62           H        ARG  62   2.644   7.899  -8.861
  465    HA   ARG  62           HA       ARG  62   1.824   5.533  -7.544
  466   1HB   ARG  62          2HB       ARG  62   1.069   6.053  -9.812
  467   2HB   ARG  62          1HB       ARG  62   2.706   5.893 -10.419
  468   1HG   ARG  62          2HG       ARG  62   1.848   3.477  -8.933
  469   2HG   ARG  62          1HG       ARG  62   0.808   3.843 -10.319
  470   1HD   ARG  62          2HD       ARG  62   2.772   3.957 -11.781
  471   2HD   ARG  62          1HD       ARG  62   3.825   3.590 -10.416
  472    HE   ARG  62           HE       ARG  62   1.930   1.516 -10.516
  473   1HH1  ARG  62          1HH2      ARG  62   4.352   2.941 -12.510
  474   2HH1  ARG  62          2HH2      ARG  62   4.727   1.467 -13.339
  475   1HH2  ARG  62          1HH1      ARG  62   2.401  -0.417 -11.587
  476   2HH2  ARG  62          2HH1      ARG  62   3.622  -0.436 -12.816
  477    H    HIS  63           H        HIS  63   4.961   6.414  -8.929
  478    HA   HIS  63           HA       HIS  63   6.195   3.873  -8.826
  479   1HB   HIS  63          2HB       HIS  63   7.159   6.172  -9.628
  480   2HB   HIS  63          1HB       HIS  63   7.671   6.363  -7.953
  481    HD1  HIS  63           1HD      HIS  63   7.639   3.000  -9.647
  482    HD2  HIS  63           2HD      HIS  63  10.414   5.894  -8.503
  483    HE1  HIS  63           1HE      HIS  63   9.926   1.946  -9.915
  484    H    GLY  64           H        GLY  64   5.664   6.275  -6.248
  485   1HA   GLY  64          2HA       GLY  64   7.083   4.824  -4.198
  486   2HA   GLY  64          1HA       GLY  64   5.839   6.043  -3.904
  487    H    PHE  65           H        PHE  65   3.640   4.940  -5.119
  488    HA   PHE  65           HA       PHE  65   2.765   2.930  -3.223
  489   1HB   PHE  65          2HB       PHE  65   1.697   4.389  -5.578
  490   2HB   PHE  65          1HB       PHE  65   0.989   2.804  -5.353
  491    HD1  PHE  65           1HD      PHE  65   1.267   6.197  -4.094
  492    HD2  PHE  65           2HD      PHE  65  -0.205   2.266  -3.242
  493    HE1  PHE  65           1HE      PHE  65  -0.196   7.129  -2.349
  494    HE2  PHE  65           2HE      PHE  65  -1.691   3.198  -1.484
  495    HZ   PHE  65           HZ       PHE  65  -1.695   5.640  -1.042
  496    H    ASP  66           H        ASP  66   3.946   2.945  -6.521
  497    HA   ASP  66           HA       ASP  66   3.302   0.399  -7.378
  498   1HB   ASP  66          2HB       ASP  66   4.529   2.134  -8.716
  499   2HB   ASP  66          1HB       ASP  66   5.997   1.702  -7.843
  500    H    ILE  67           H        ILE  67   6.181   1.360  -5.466
  501    HA   ILE  67           HA       ILE  67   7.255  -1.285  -5.227
  502    HB   ILE  67           HB       ILE  67   7.568   0.882  -3.137
  503   1HG1  ILE  67          2HG1      ILE  67   8.628   0.736  -5.959
  504   2HG1  ILE  67          1HG1      ILE  67   8.089   2.133  -5.037
  505   1HG2  ILE  67          1HG2      ILE  67   8.472  -1.500  -2.841
  506   2HG2  ILE  67          2HG2      ILE  67   9.650  -0.198  -2.681
  507   3HG2  ILE  67          3HG2      ILE  67   9.574  -1.141  -4.169
  508   1HD1  ILE  67          1HD1      ILE  67  10.135   1.779  -3.543
  509   2HD1  ILE  67          2HD1      ILE  67  10.455   2.353  -5.180
  510   3HD1  ILE  67          3HD1      ILE  67  10.710   0.656  -4.775
  511    H    LEU  68           H        LEU  68   5.584   0.629  -2.688
  512    HA   LEU  68           HA       LEU  68   5.255  -1.527  -0.922
  513   1HB   LEU  68          2HB       LEU  68   3.915  -0.111   0.349
  514   2HB   LEU  68          1HB       LEU  68   4.777   1.043  -0.658
  515    HG   LEU  68           HG       LEU  68   2.728   0.791  -2.271
  516   1HD1  LEU  68          1HD1      LEU  68   0.890  -0.326  -1.560
  517   2HD1  LEU  68          2HD1      LEU  68   0.940   0.432   0.029
  518   3HD1  LEU  68          3HD1      LEU  68   1.894  -1.013  -0.285
  519   1HD2  LEU  68          1HD2      LEU  68   3.362   2.849  -0.969
  520   2HD2  LEU  68          2HD2      LEU  68   2.435   2.239   0.397
  521   3HD2  LEU  68          3HD2      LEU  68   1.613   2.661  -1.105
  522    H    VAL  69           H        VAL  69   3.192  -0.590  -3.667
  523    HA   VAL  69           HA       VAL  69   1.162  -2.564  -3.149
  524    HB   VAL  69           HB       VAL  69   1.975  -1.000  -5.609
  525   1HG1  VAL  69          1HG1      VAL  69  -0.126  -3.128  -5.315
  526   2HG1  VAL  69          2HG1      VAL  69   1.134  -2.981  -6.541
  527   3HG1  VAL  69          3HG1      VAL  69  -0.226  -1.865  -6.543
  528   1HG2  VAL  69          1HG2      VAL  69  -0.242   0.060  -5.202
  529   2HG2  VAL  69          2HG2      VAL  69   0.850   0.252  -3.830
  530   3HG2  VAL  69          3HG2      VAL  69  -0.435  -0.952  -3.769
  531    H    GLY  70           H        GLY  70   4.350  -2.718  -4.521
  532   1HA   GLY  70          2HA       GLY  70   3.983  -5.094  -6.120
  533   2HA   GLY  70          1HA       GLY  70   5.529  -4.449  -5.585
  534    H    GLN  71           H        GLN  71   5.483  -4.709  -2.865
  535    HA   GLN  71           HA       GLN  71   5.821  -7.549  -2.561
  536   1HB   GLN  71          2HB       GLN  71   6.352  -7.082  -0.257
  537   2HB   GLN  71          1HB       GLN  71   7.026  -5.785  -1.212
  538   1HG   GLN  71          2HG       GLN  71   5.969  -4.574   0.485
  539   2HG   GLN  71          1HG       GLN  71   4.723  -4.587  -0.762
  540   1HE2  GLN  71          1HE2      GLN  71   5.669  -7.322   1.313
  541   2HE2  GLN  71          2HE2      GLN  71   4.170  -7.469   2.102
  542    H    ILE  72           H        ILE  72   3.072  -5.481  -2.219
  543    HA   ILE  72           HA       ILE  72   1.544  -7.036  -0.370
  544    HB   ILE  72           HB       ILE  72   0.837  -5.222  -2.684
  545   1HG1  ILE  72          2HG1      ILE  72   0.199  -5.055   0.276
  546   2HG1  ILE  72          1HG1      ILE  72   1.605  -4.301  -0.471
  547   1HG2  ILE  72          1HG2      ILE  72  -1.568  -5.448  -1.843
  548   2HG2  ILE  72          2HG2      ILE  72  -1.049  -6.928  -1.051
  549   3HG2  ILE  72          3HG2      ILE  72  -0.957  -6.782  -2.806
  550   1HD1  ILE  72          1HD1      ILE  72  -0.644  -3.515  -2.041
  551   2HD1  ILE  72          2HD1      ILE  72   0.322  -2.514  -0.967
  552   3HD1  ILE  72          3HD1      ILE  72  -1.108  -3.321  -0.356
  553    H    ASP  73           H        ASP  73   1.306  -7.023  -3.944
  554    HA   ASP  73           HA       ASP  73  -0.190  -9.438  -4.127
  555   1HB   ASP  73          2HB       ASP  73   0.559  -9.469  -6.501
  556   2HB   ASP  73          1HB       ASP  73  -0.022  -7.892  -5.994
  557    H    ASP  74           H        ASP  74   3.358  -8.918  -3.984
  558    HA   ASP  74           HA       ASP  74   3.983 -11.590  -4.767
  559   1HB   ASP  74          2HB       ASP  74   5.643  -9.742  -4.547
  560   2HB   ASP  74          1HB       ASP  74   5.513  -9.867  -2.789
  561    H    ALA  75           H        ALA  75   2.517 -10.314  -1.924
  562    HA   ALA  75           HA       ALA  75   3.126 -12.608  -0.238
  563   1HB   ALA  75          1HB       ALA  75   2.297 -10.326   0.590
  564   2HB   ALA  75          2HB       ALA  75   1.509 -11.745   1.279
  565   3HB   ALA  75          3HB       ALA  75   0.703 -10.816   0.013
  566    H    LEU  76           H        LEU  76   0.732 -11.589  -2.560
  567    HA   LEU  76           HA       LEU  76  -1.220 -13.661  -2.322
  568   1HB   LEU  76          2HB       LEU  76  -1.161 -11.491  -3.773
  569   2HB   LEU  76          1HB       LEU  76  -0.282 -12.455  -4.951
  570    HG   LEU  76           HG       LEU  76  -2.941 -13.370  -3.837
  571   1HD1  LEU  76          1HD1      LEU  76  -3.982 -12.344  -5.876
  572   2HD1  LEU  76          2HD1      LEU  76  -2.452 -11.527  -6.193
  573   3HD1  LEU  76          3HD1      LEU  76  -3.368 -11.147  -4.737
  574   1HD2  LEU  76          1HD2      LEU  76  -1.356 -13.950  -6.355
  575   2HD2  LEU  76          2HD2      LEU  76  -3.030 -14.454  -6.133
  576   3HD2  LEU  76          3HD2      LEU  76  -1.776 -15.077  -5.067
  577    H    LYS  77           H        LYS  77   1.836 -13.395  -3.979
  578    HA   LYS  77           HA       LYS  77   1.855 -15.875  -5.353
  579   1HB   LYS  77          2HB       LYS  77   3.364 -13.721  -5.439
  580   2HB   LYS  77          1HB       LYS  77   4.327 -14.567  -4.239
  581   1HG   LYS  77          2HG       LYS  77   4.596 -16.463  -5.782
  582   2HG   LYS  77          1HG       LYS  77   3.583 -15.639  -6.966
  583   1HD   LYS  77          2HD       LYS  77   5.630 -14.895  -7.764
  584   2HD   LYS  77          1HD       LYS  77   5.410 -13.649  -6.525
  585   1HE   LYS  77          2HE       LYS  77   7.612 -14.524  -6.206
  586   2HE   LYS  77          1HE       LYS  77   6.628 -15.232  -4.925
  587   1HZ   LYS  77          1HZ       LYS  77   6.560 -17.272  -5.991
  588   2HZ   LYS  77          2HZ       LYS  77   8.155 -16.758  -6.274
  589   3HZ   LYS  77          3HZ       LYS  77   6.985 -16.624  -7.500
  590    H    LEU  78           H        LEU  78   3.113 -14.921  -2.209
  591    HA   LEU  78           HA       LEU  78   4.197 -17.438  -1.463
  592   1HB   LEU  78          2HB       LEU  78   3.560 -14.810  -0.307
  593   2HB   LEU  78          1HB       LEU  78   3.564 -16.101   0.859
  594    HG   LEU  78           HG       LEU  78   5.845 -16.778   0.009
  595   1HD1  LEU  78          1HD1      LEU  78   5.669 -14.099  -1.399
  596   2HD1  LEU  78          2HD1      LEU  78   5.570 -15.661  -2.211
  597   3HD1  LEU  78          3HD1      LEU  78   7.056 -15.189  -1.386
  598   1HD2  LEU  78          1HD2      LEU  78   7.000 -15.062   1.235
  599   2HD2  LEU  78          2HD2      LEU  78   5.440 -15.309   2.016
  600   3HD2  LEU  78          3HD2      LEU  78   5.690 -13.914   0.967
  601    H    ALA  79           H        ALA  79   1.132 -15.871  -0.438
  602    HA   ALA  79           HA       ALA  79   0.051 -17.877   1.123
  603   1HB   ALA  79          1HB       ALA  79  -2.074 -16.934   0.719
  604   2HB   ALA  79          2HB       ALA  79  -1.663 -16.494  -0.941
  605   3HB   ALA  79          3HB       ALA  79  -0.961 -15.600   0.408
  606    H    ASN  80           H        ASN  80   0.156 -17.808  -2.441
  607    HA   ASN  80           HA       ASN  80  -1.459 -20.167  -2.804
  608   1HB   ASN  80          2HB       ASN  80   0.799 -19.516  -4.691
  609   2HB   ASN  80          1HB       ASN  80  -0.837 -20.067  -5.056
  610   1HD2  ASN  80          1HD2      ASN  80  -2.225 -18.082  -3.366
  611   2HD2  ASN  80          2HD2      ASN  80  -1.999 -16.579  -4.114
  612    H    GLU  81           H        GLU  81   1.861 -19.579  -1.948
  613    HA   GLU  81           HA       GLU  81   2.660 -22.394  -2.305
  614   1HB   GLU  81          2HB       GLU  81   4.200 -20.363  -2.596
  615   2HB   GLU  81          1HB       GLU  81   4.175 -20.218  -0.839
  616   1HG   GLU  81          2HG       GLU  81   5.188 -22.370  -0.553
  617   2HG   GLU  81          1HG       GLU  81   4.949 -22.783  -2.252
  618    H    GLY  82           H        GLY  82   0.666 -20.980  -0.182
  619   1HA   GLY  82          2HA       GLY  82  -0.220 -21.951   1.797
  620   2HA   GLY  82          1HA       GLY  82   1.173 -23.024   1.869
  621    H    LYS  83           H        LYS  83   1.175 -19.448   1.717
  622    HA   LYS  83           HA       LYS  83   2.776 -19.435   4.244
  623   1HB   LYS  83          2HB       LYS  83   2.264 -17.304   2.161
  624   2HB   LYS  83          1HB       LYS  83   3.296 -17.095   3.566
  625   1HG   LYS  83          2HG       LYS  83   3.788 -18.678   1.075
  626   2HG   LYS  83          1HG       LYS  83   4.887 -17.621   1.948
  627   1HD   LYS  83          2HD       LYS  83   5.009 -19.372   3.755
  628   2HD   LYS  83          1HD       LYS  83   4.089 -20.445   2.693
  629   1HE   LYS  83          2HE       LYS  83   6.435 -20.916   2.374
  630   2HE   LYS  83          1HE       LYS  83   5.844 -20.088   0.933
  631   1HZ   LYS  83          1HZ       LYS  83   6.898 -18.430   3.091
  632   2HZ   LYS  83          2HZ       LYS  83   7.004 -18.223   1.408
  633   3HZ   LYS  83          3HZ       LYS  83   8.020 -19.332   2.197
  634    H    VAL  84           H        VAL  84   0.277 -19.979   4.853
  635    HA   VAL  84           HA       VAL  84  -1.522 -17.792   5.162
  636    HB   VAL  84           HB       VAL  84  -1.231 -20.011   7.198
  637   1HG1  VAL  84          1HG1      VAL  84  -3.610 -18.537   6.022
  638   2HG1  VAL  84          2HG1      VAL  84  -2.923 -18.274   7.625
  639   3HG1  VAL  84          3HG1      VAL  84  -3.699 -19.811   7.239
  640   1HG2  VAL  84          1HG2      VAL  84  -2.785 -21.288   5.617
  641   2HG2  VAL  84          2HG2      VAL  84  -1.097 -21.179   5.117
  642   3HG2  VAL  84          3HG2      VAL  84  -2.306 -20.134   4.373
  643    H    LYS  85           H        LYS  85   1.153 -18.927   7.219
  644    HA   LYS  85           HA       LYS  85   0.631 -16.944   9.278
  645   1HB   LYS  85          2HB       LYS  85   3.138 -17.715   9.869
  646   2HB   LYS  85          1HB       LYS  85   1.747 -18.724  10.240
  647   1HG   LYS  85          2HG       LYS  85   2.097 -19.988   8.138
  648   2HG   LYS  85          1HG       LYS  85   3.479 -18.974   7.763
  649   1HD   LYS  85          2HD       LYS  85   4.640 -20.669   8.788
  650   2HD   LYS  85          1HD       LYS  85   4.224 -19.767  10.240
  651   1HE   LYS  85          2HE       LYS  85   2.996 -22.292   9.154
  652   2HE   LYS  85          1HE       LYS  85   3.548 -21.944  10.790
  653   1HZ   LYS  85          1HZ       LYS  85   1.334 -20.371   9.684
  654   2HZ   LYS  85          2HZ       LYS  85   1.653 -20.807  11.293
  655   3HZ   LYS  85          3HZ       LYS  85   1.022 -21.951  10.209
  656    H    GLU  86           H        GLU  86   3.169 -17.329   6.835
  657    HA   GLU  86           HA       GLU  86   4.462 -14.855   7.327
  658   1HB   GLU  86          2HB       GLU  86   4.563 -17.068   5.427
  659   2HB   GLU  86          1HB       GLU  86   4.813 -15.539   4.580
  660   1HG   GLU  86          2HG       GLU  86   6.545 -15.046   6.470
  661   2HG   GLU  86          1HG       GLU  86   6.440 -16.774   6.801
  662    H    ALA  87           H        ALA  87   1.853 -15.763   5.090
  663    HA   ALA  87           HA       ALA  87   1.661 -13.275   3.723
  664   1HB   ALA  87          1HB       ALA  87  -0.548 -15.241   4.406
  665   2HB   ALA  87          2HB       ALA  87   0.470 -15.294   2.966
  666   3HB   ALA  87          3HB       ALA  87  -0.660 -13.960   3.199
  667    H    GLN  88           H        GLN  88  -0.002 -14.407   6.692
  668    HA   GLN  88           HA       GLN  88  -1.457 -11.962   7.075
  669   1HB   GLN  88          2HB       GLN  88  -0.751 -14.321   8.793
  670   2HB   GLN  88          1HB       GLN  88  -1.264 -12.857   9.623
  671   1HG   GLN  88          2HG       GLN  88  -3.290 -12.820   8.102
  672   2HG   GLN  88          1HG       GLN  88  -2.813 -14.430   7.558
  673   1HE2  GLN  88          1HE2      GLN  88  -3.732 -16.086   8.741
  674   2HE2  GLN  88          2HE2      GLN  88  -4.281 -15.971  10.341
  675    H    ALA  89           H        ALA  89   1.757 -13.048   8.107
  676    HA   ALA  89           HA       ALA  89   2.359 -10.782   9.760
  677   1HB   ALA  89          1HB       ALA  89   3.714 -12.920   9.632
  678   2HB   ALA  89          2HB       ALA  89   4.677 -11.446   9.542
  679   3HB   ALA  89          3HB       ALA  89   4.329 -12.362   8.076
  680    H    ALA  90           H        ALA  90   2.708 -11.426   6.292
  681    HA   ALA  90           HA       ALA  90   4.062  -8.998   5.613
  682   1HB   ALA  90          1HB       ALA  90   3.845 -10.825   3.990
  683   2HB   ALA  90          2HB       ALA  90   3.095  -9.371   3.334
  684   3HB   ALA  90          3HB       ALA  90   2.090 -10.657   4.002
  685    H    ALA  91           H        ALA  91   0.832  -9.751   6.547
  686    HA   ALA  91           HA       ALA  91  -0.535  -7.482   5.464
  687   1HB   ALA  91          1HB       ALA  91  -2.334  -8.220   6.743
  688   2HB   ALA  91          2HB       ALA  91  -1.326  -8.622   8.130
  689   3HB   ALA  91          3HB       ALA  91  -1.366  -9.680   6.726
  690    H    GLU  92           H        GLU  92   1.034  -8.036   8.629
  691    HA   GLU  92           HA       GLU  92   0.522  -5.417   9.667
  692   1HB   GLU  92          2HB       GLU  92   2.407  -7.653  10.321
  693   2HB   GLU  92          1HB       GLU  92   2.756  -6.070  11.017
  694   1HG   GLU  92          2HG       GLU  92   0.789  -6.033  12.277
  695   2HG   GLU  92          1HG       GLU  92  -0.044  -7.165  11.212
  696    H    GLN  93           H        GLN  93   2.575  -6.454   7.168
  697    HA   GLN  93           HA       GLN  93   4.556  -4.320   7.497
  698   1HB   GLN  93          2HB       GLN  93   5.712  -5.554   5.954
  699   2HB   GLN  93          1HB       GLN  93   4.437  -6.741   6.105
  700   1HG   GLN  93          2HG       GLN  93   4.685  -6.361   3.782
  701   2HG   GLN  93          1HG       GLN  93   3.232  -5.475   4.212
  702   1HE2  GLN  93          1HE2      GLN  93   5.162  -3.467   5.641
  703   2HE2  GLN  93          2HE2      GLN  93   5.727  -2.497   4.363
  704    H    LEU  94           H        LEU  94   1.687  -4.898   5.496
  705    HA   LEU  94           HA       LEU  94   1.835  -2.393   4.087
  706   1HB   LEU  94          2HB       LEU  94   0.528  -4.312   3.275
  707   2HB   LEU  94          1HB       LEU  94  -0.525  -4.190   4.671
  708    HG   LEU  94           HG       LEU  94  -1.190  -1.899   3.934
  709   1HD1  LEU  94          1HD1      LEU  94   0.585  -1.078   2.617
  710   2HD1  LEU  94          2HD1      LEU  94  -0.630  -1.484   1.409
  711   3HD1  LEU  94          3HD1      LEU  94   0.724  -2.578   1.699
  712   1HD2  LEU  94          1HD2      LEU  94  -1.553  -3.999   1.783
  713   2HD2  LEU  94          2HD2      LEU  94  -2.653  -2.677   2.168
  714   3HD2  LEU  94          3HD2      LEU  94  -2.426  -4.002   3.308
  715    H    LYS  95           H        LYS  95   0.152  -3.462   7.021
  716    HA   LYS  95           HA       LYS  95  -1.402  -1.162   7.532
  717   1HB   LYS  95          2HB       LYS  95  -0.070  -3.109   9.428
  718   2HB   LYS  95          1HB       LYS  95  -1.200  -1.866   9.967
  719   1HG   LYS  95          2HG       LYS  95  -2.990  -2.792   8.655
  720   2HG   LYS  95          1HG       LYS  95  -1.881  -3.855   7.801
  721   1HD   LYS  95          2HD       LYS  95  -2.489  -5.461   9.315
  722   2HD   LYS  95          1HD       LYS  95  -1.468  -4.608  10.463
  723   1HE   LYS  95          2HE       LYS  95  -3.586  -3.144  10.897
  724   2HE   LYS  95          1HE       LYS  95  -4.456  -4.481  10.137
  725   1HZ   LYS  95          1HZ       LYS  95  -2.498  -4.992  12.282
  726   2HZ   LYS  95          2HZ       LYS  95  -3.810  -5.949  11.780
  727   3HZ   LYS  95          3HZ       LYS  95  -4.084  -4.525  12.665
  728    H    THR  96           H        THR  96   1.573  -1.865   9.386
  729    HA   THR  96           HA       THR  96   1.872   0.858  10.173
  730    HB   THR  96           HB       THR  96   4.265  -0.959  10.078
  731    HG1  THR  96           1HG      THR  96   2.812  -2.413  10.738
  732   1HG2  THR  96          1HG2      THR  96   4.819   0.110  12.108
  733   2HG2  THR  96          2HG2      THR  96   3.150   0.596  12.413
  734   3HG2  THR  96          3HG2      THR  96   4.089   1.407  11.158
  735    H    THR  97           H        THR  97   2.801  -0.744   7.209
  736    HA   THR  97           HA       THR  97   5.023   0.777   6.411
  737    HB   THR  97           HB       THR  97   2.742  -0.450   4.914
  738    HG1  THR  97           1HG      THR  97   4.513  -1.515   3.961
  739   1HG2  THR  97          1HG2      THR  97   2.883   1.466   3.550
  740   2HG2  THR  97          2HG2      THR  97   3.990   0.335   2.773
  741   3HG2  THR  97          3HG2      THR  97   4.620   1.623   3.799
  742    H    ILE  98           H        ILE  98   1.586   1.605   5.780
  743    HA   ILE  98           HA       ILE  98   2.032   4.276   4.929
  744    HB   ILE  98           HB       ILE  98  -0.275   2.840   6.253
  745   1HG1  ILE  98          2HG1      ILE  98  -1.178   3.635   3.808
  746   2HG1  ILE  98          1HG1      ILE  98   0.545   3.539   3.462
  747   1HG2  ILE  98          1HG2      ILE  98   0.000   5.759   5.895
  748   2HG2  ILE  98          2HG2      ILE  98  -1.051   4.859   6.965
  749   3HG2  ILE  98          3HG2      ILE  98  -1.497   5.083   5.276
  750   1HD1  ILE  98          1HD1      ILE  98   0.587   1.221   4.322
  751   2HD1  ILE  98          2HD1      ILE  98  -0.556   1.394   2.990
  752   3HD1  ILE  98          3HD1      ILE  98  -1.143   1.318   4.650
  753    H    ARG  99           H        ARG  99   1.246   3.085   8.235
  754    HA   ARG  99           HA       ARG  99   1.408   5.641   9.443
  755   1HB   ARG  99          2HB       ARG  99   0.756   3.171  10.324
  756   2HB   ARG  99          1HB       ARG  99   2.379   3.264  10.994
  757   1HG   ARG  99          2HG       ARG  99   1.375   5.743  11.706
  758   2HG   ARG  99          1HG       ARG  99  -0.078   4.752  11.758
  759   1HD   ARG  99          2HD       ARG  99   1.093   4.833  13.942
  760   2HD   ARG  99          1HD       ARG  99   1.003   3.192  13.300
  761    HE   ARG  99           HE       ARG  99   3.446   4.303  12.403
  762   1HH1  ARG  99          1HH2      ARG  99   1.821   3.458  15.321
  763   2HH1  ARG  99          2HH2      ARG  99   3.279   3.106  16.188
  764   1HH2  ARG  99          1HH1      ARG  99   5.359   3.857  13.515
  765   2HH2  ARG  99          2HH1      ARG  99   5.285   3.333  15.164
  766    H    ALA 100           H        ALA 100   3.986   3.146   9.177
  767    HA   ALA 100           HA       ALA 100   6.029   4.722  10.428
  768   1HB   ALA 100          1HB       ALA 100   6.381   2.357  10.177
  769   2HB   ALA 100          2HB       ALA 100   7.605   3.166   9.197
  770   3HB   ALA 100          3HB       ALA 100   6.186   2.456   8.427
  771    H    TYR 101           H        TYR 101   4.781   4.667   7.204
  772    HA   TYR 101           HA       TYR 101   6.930   6.124   5.917
  773   1HB   TYR 101          2HB       TYR 101   4.103   5.337   5.258
  774   2HB   TYR 101          1HB       TYR 101   4.844   6.605   4.289
  775    HD1  TYR 101           1HD      TYR 101   6.792   3.826   5.774
  776    HD2  TYR 101           2HD      TYR 101   4.847   5.295   2.217
  777    HE1  TYR 101           1HE      TYR 101   7.963   2.115   4.426
  778    HE2  TYR 101           2HE      TYR 101   6.032   3.572   0.877
  779    HH   TYR 101           HH       TYR 101   7.887   1.019   2.380
  780    H    ASN 102           H        ASN 102   4.800   6.901   8.291
  781    HA   ASN 102           HA       ASN 102   4.482   9.010   9.365
  782   1HB   ASN 102          2HB       ASN 102   6.305  10.000   7.777
  783   2HB   ASN 102          1HB       ASN 102   4.957  10.420   6.718
  784   1HD2  ASN 102          1HD2      ASN 102   3.206  11.791   7.679
  785   2HD2  ASN 102          2HD2      ASN 102   3.613  12.889   8.912
  786    H    GLN 103           H        GLN 103   2.500   7.489   8.834
  787    HA   GLN 103           HA       GLN 103   0.364   7.206   8.018
  788   1HB   GLN 103          2HB       GLN 103   0.750  10.064   8.707
  789   2HB   GLN 103          1HB       GLN 103  -0.678   9.700   7.735
  790   1HG   GLN 103          2HG       GLN 103   0.027   8.213  10.282
  791   2HG   GLN 103          1HG       GLN 103  -1.054   9.617  10.252
  792   1HE2  GLN 103          1HE2      GLN 103  -1.308   7.915   7.339
  793   2HE2  GLN 103          2HE2      GLN 103  -2.659   6.970   7.704
  794    H    LYS 104           H        LYS 104   2.023   6.726   6.228
  795    HA   LYS 104           HA       LYS 104   2.513   6.498   4.024
  796   1HB   LYS 104          2HB       LYS 104   0.285   6.006   3.649
  797   2HB   LYS 104          1HB       LYS 104  -0.253   7.619   4.025
  798   1HG   LYS 104          2HG       LYS 104  -0.326   6.974   1.573
  799   2HG   LYS 104          1HG       LYS 104   0.566   8.466   1.905
  800   1HD   LYS 104          2HD       LYS 104   2.676   7.370   1.599
  801   2HD   LYS 104          1HD       LYS 104   1.975   5.770   1.863
  802   1HE   LYS 104          2HE       LYS 104   0.995   5.724  -0.272
  803   2HE   LYS 104          1HE       LYS 104   1.149   7.468  -0.489
  804   1HZ   LYS 104          1HZ       LYS 104   3.370   7.307  -0.946
  805   2HZ   LYS 104          2HZ       LYS 104   2.814   5.851  -1.623
  806   3HZ   LYS 104          3HZ       LYS 104   3.565   5.850  -0.100
  807    H    TYR 105           H        TYR 105   0.883   9.665   3.620
  808    HA   TYR 105           HA       TYR 105   3.535  10.957   3.577
  809   1HB   TYR 105          2HB       TYR 105   2.226  10.134   1.139
  810   2HB   TYR 105          1HB       TYR 105   2.226  11.892   1.185
  811    HD1  TYR 105           1HD      TYR 105   4.409   8.891   1.381
  812    HD2  TYR 105           2HD      TYR 105   4.225  13.150   0.884
  813    HE1  TYR 105           1HE      TYR 105   6.792   8.916   0.734
  814    HE2  TYR 105           2HE      TYR 105   6.618  13.179   0.234
  815    HH   TYR 105           HH       TYR 105   8.598  10.256   0.411
  816    H    GLY 106           H        GLY 106   0.584  11.001   4.746
  817   1HA   GLY 106          2HA       GLY 106   0.618  13.885   5.204
  818   2HA   GLY 106          1HA       GLY 106  -0.749  13.345   4.236
  Start of MODEL   14
    1    HA   ALA   1           HA       ALA   1 -13.774  12.465   7.426
    2   1HB   ALA   1          1HB       ALA   1 -14.216  10.635   5.069
    3   2HB   ALA   1          2HB       ALA   1 -15.413  10.743   6.360
    4   3HB   ALA   1          3HB       ALA   1 -13.768  10.222   6.724
    5    H    ASP   2           H        ASP   2 -11.796  13.373   7.198
    6    HA   ASP   2           HA       ASP   2 -10.678  13.962   4.552
    7   1HB   ASP   2          2HB       ASP   2 -10.437  15.275   6.844
    8   2HB   ASP   2          1HB       ASP   2  -9.091  14.177   7.103
    9    H    LEU   3           H        LEU   3  -7.914  13.449   5.337
   10    HA   LEU   3           HA       LEU   3  -7.590  10.817   4.297
   11   1HB   LEU   3          2HB       LEU   3  -5.838  12.774   5.698
   12   2HB   LEU   3          1HB       LEU   3  -5.227  11.147   5.484
   13    HG   LEU   3           HG       LEU   3  -4.578  12.768   3.658
   14   1HD1  LEU   3          1HD1      LEU   3  -6.328  10.645   2.434
   15   2HD1  LEU   3          2HD1      LEU   3  -4.938  10.171   3.407
   16   3HD1  LEU   3          3HD1      LEU   3  -4.712  11.165   1.970
   17   1HD2  LEU   3          1HD2      LEU   3  -7.442  12.542   2.731
   18   2HD2  LEU   3          2HD2      LEU   3  -6.188  13.648   2.173
   19   3HD2  LEU   3          3HD2      LEU   3  -6.915  13.872   3.764
   20    H    GLU   4           H        GLU   4  -8.867   9.407   5.478
   21    HA   GLU   4           HA       GLU   4  -7.671   8.134   7.734
   22   1HB   GLU   4          2HB       GLU   4  -9.272   8.669   9.471
   23   2HB   GLU   4          1HB       GLU   4  -8.650  10.198   8.860
   24   1HG   GLU   4          2HG       GLU   4 -10.685  10.187   7.275
   25   2HG   GLU   4          1HG       GLU   4 -11.329   8.911   8.304
   26    H    ASP   5           H        ASP   5 -10.518   8.868   5.814
   27    HA   ASP   5           HA       ASP   5 -11.718   6.251   6.271
   28   1HB   ASP   5          2HB       ASP   5 -13.118   8.229   5.700
   29   2HB   ASP   5          1HB       ASP   5 -12.311   8.344   4.138
   30    H    ASN   6           H        ASN   6  -9.435   7.711   3.989
   31    HA   ASN   6           HA       ASN   6  -9.669   5.672   1.972
   32   1HB   ASN   6          2HB       ASN   6  -7.668   6.499   1.083
   33   2HB   ASN   6          1HB       ASN   6  -8.176   7.869   2.052
   34   1HD2  ASN   6          1HD2      ASN   6  -6.162   4.907   2.331
   35   2HD2  ASN   6          2HD2      ASN   6  -5.019   5.609   3.369
   36    H    TRP   7           H        TRP   7  -7.909   5.966   4.970
   37    HA   TRP   7           HA       TRP   7  -6.502   3.524   4.914
   38   1HB   TRP   7          2HB       TRP   7  -7.318   5.533   6.940
   39   2HB   TRP   7          1HB       TRP   7  -7.038   3.941   7.615
   40    HD1  TRP   7           HD       TRP   7  -5.261   6.230   5.074
   41    HE1  TRP   7           1HE      TRP   7  -2.728   6.190   5.528
   42    HE3  TRP   7           3HE      TRP   7  -5.137   3.021   9.045
   43    HZ2  TRP   7           2HZ      TRP   7  -0.892   4.969   7.335
   44    HZ3  TRP   7           3HZ      TRP   7  -2.973   2.447  10.119
   45    HH2  TRP   7           HH       TRP   7  -0.854   3.416   9.266
   46    H    GLU   8           H        GLU   8  -9.800   4.327   5.910
   47    HA   GLU   8           HA       GLU   8 -10.528   1.917   7.191
   48   1HB   GLU   8          2HB       GLU   8 -11.900   4.034   7.027
   49   2HB   GLU   8          1HB       GLU   8 -12.341   3.515   5.404
   50   1HG   GLU   8          2HG       GLU   8 -13.369   1.506   6.233
   51   2HG   GLU   8          1HG       GLU   8 -12.754   1.798   7.858
   52    H    THR   9           H        THR   9 -10.674   2.744   3.715
   53    HA   THR   9           HA       THR   9 -11.833   0.324   2.813
   54    HB   THR   9           HB       THR   9  -9.550   1.619   1.288
   55    HG1  THR   9           1HG      THR   9 -12.168   2.676   1.590
   56   1HG2  THR   9          1HG2      THR   9 -10.836   1.037  -0.624
   57   2HG2  THR   9          2HG2      THR   9 -12.301   0.805   0.331
   58   3HG2  THR   9          3HG2      THR   9 -10.976  -0.354   0.453
   59    H    LEU  10           H        LEU  10  -8.431   1.190   3.188
   60    HA   LEU  10           HA       LEU  10  -7.369  -1.414   2.673
   61   1HB   LEU  10          2HB       LEU  10  -6.390   1.142   3.917
   62   2HB   LEU  10          1HB       LEU  10  -5.409  -0.305   4.098
   63    HG   LEU  10           HG       LEU  10  -5.848  -0.421   1.408
   64   1HD1  LEU  10          1HD1      LEU  10  -5.774   1.793   0.423
   65   2HD1  LEU  10          2HD1      LEU  10  -5.740   2.548   2.016
   66   3HD1  LEU  10          3HD1      LEU  10  -7.188   1.707   1.469
   67   1HD2  LEU  10          1HD2      LEU  10  -3.763   1.238   2.843
   68   2HD2  LEU  10          2HD2      LEU  10  -3.645   0.728   1.157
   69   3HD2  LEU  10          3HD2      LEU  10  -3.655  -0.474   2.446
   70    H    ASN  11           H        ASN  11  -8.709   0.080   5.541
   71    HA   ASN  11           HA       ASN  11  -7.488  -1.608   7.476
   72   1HB   ASN  11          2HB       ASN  11  -8.964   0.427   7.904
   73   2HB   ASN  11          1HB       ASN  11 -10.348  -0.640   7.592
   74   1HD2  ASN  11          1HD2      ASN  11  -8.129  -2.716   8.810
   75   2HD2  ASN  11          2HD2      ASN  11  -8.454  -2.609  10.473
   76    H    ASP  12           H        ASP  12 -10.815  -1.899   6.278
   77    HA   ASP  12           HA       ASP  12 -11.333  -4.483   7.240
   78   1HB   ASP  12          2HB       ASP  12 -12.317  -3.059   4.785
   79   2HB   ASP  12          1HB       ASP  12 -12.962  -4.619   5.284
   80    H    ASN  13           H        ASN  13  -9.303  -3.512   4.586
   81    HA   ASN  13           HA       ASN  13  -9.534  -5.949   3.096
   82   1HB   ASN  13          2HB       ASN  13  -7.518  -3.739   3.200
   83   2HB   ASN  13          1HB       ASN  13  -7.030  -5.237   2.426
   84   1HD2  ASN  13          1HD2      ASN  13  -9.439  -2.604   2.270
   85   2HD2  ASN  13          2HD2      ASN  13  -9.875  -2.879   0.654
   86    H    LEU  14           H        LEU  14  -6.940  -4.962   5.380
   87    HA   LEU  14           HA       LEU  14  -5.683  -7.508   5.531
   88   1HB   LEU  14          2HB       LEU  14  -5.933  -5.279   7.564
   89   2HB   LEU  14          1HB       LEU  14  -4.957  -6.717   7.845
   90    HG   LEU  14           HG       LEU  14  -3.631  -4.784   7.005
   91   1HD1  LEU  14          1HD1      LEU  14  -3.146  -7.272   6.441
   92   2HD1  LEU  14          2HD1      LEU  14  -2.280  -6.013   5.573
   93   3HD1  LEU  14          3HD1      LEU  14  -3.630  -6.828   4.807
   94   1HD2  LEU  14          1HD2      LEU  14  -5.043  -5.122   4.362
   95   2HD2  LEU  14          2HD2      LEU  14  -3.916  -3.856   4.852
   96   3HD2  LEU  14          3HD2      LEU  14  -5.519  -3.922   5.557
   97    H    LYS  15           H        LYS  15  -8.469  -6.161   7.116
   98    HA   LYS  15           HA       LYS  15  -8.811  -8.034   9.202
   99   1HB   LYS  15          2HB       LYS  15 -10.085  -5.871   8.778
  100   2HB   LYS  15          1HB       LYS  15 -11.011  -6.753   7.568
  101   1HG   LYS  15          2HG       LYS  15 -11.501  -8.440   9.458
  102   2HG   LYS  15          1HG       LYS  15 -10.937  -7.178  10.546
  103   1HD   LYS  15          2HD       LYS  15 -13.263  -6.780  10.433
  104   2HD   LYS  15          1HD       LYS  15 -12.592  -5.618   9.286
  105   1HE   LYS  15          2HE       LYS  15 -13.316  -6.843   7.423
  106   2HE   LYS  15          1HE       LYS  15 -13.446  -8.347   8.325
  107   1HZ   LYS  15          1HZ       LYS  15 -15.239  -6.000   8.421
  108   2HZ   LYS  15          2HZ       LYS  15 -15.254  -7.196   9.628
  109   3HZ   LYS  15          3HZ       LYS  15 -15.627  -7.600   8.019
  110    H    VAL  16           H        VAL  16 -10.086  -8.134   5.839
  111    HA   VAL  16           HA       VAL  16 -11.366 -10.647   6.260
  112    HB   VAL  16           HB       VAL  16 -10.658  -9.001   3.834
  113   1HG1  VAL  16          1HG1      VAL  16 -11.924 -10.640   2.471
  114   2HG1  VAL  16          2HG1      VAL  16 -11.999 -11.717   3.863
  115   3HG1  VAL  16          3HG1      VAL  16 -10.453 -11.341   3.122
  116   1HG2  VAL  16          1HG2      VAL  16 -12.555  -8.224   5.088
  117   2HG2  VAL  16          2HG2      VAL  16 -13.213  -9.853   5.223
  118   3HG2  VAL  16          3HG2      VAL  16 -13.188  -9.041   3.659
  119    H    ILE  17           H        ILE  17  -8.260  -9.985   4.445
  120    HA   ILE  17           HA       ILE  17  -7.706 -12.709   3.968
  121    HB   ILE  17           HB       ILE  17  -5.246 -11.348   4.867
  122   1HG1  ILE  17          2HG1      ILE  17  -6.983  -9.948   2.795
  123   2HG1  ILE  17          1HG1      ILE  17  -6.568  -9.316   4.385
  124   1HG2  ILE  17          1HG2      ILE  17  -6.193 -12.176   2.111
  125   2HG2  ILE  17          2HG2      ILE  17  -5.399 -13.246   3.264
  126   3HG2  ILE  17          3HG2      ILE  17  -4.527 -11.870   2.604
  127   1HD1  ILE  17          1HD1      ILE  17  -4.094 -10.028   3.198
  128   2HD1  ILE  17          2HD1      ILE  17  -4.722  -8.407   3.466
  129   3HD1  ILE  17          3HD1      ILE  17  -5.029  -9.226   1.939
  130    H    GLU  18           H        GLU  18  -6.999 -10.778   6.842
  131    HA   GLU  18           HA       GLU  18  -5.789 -12.789   8.433
  132   1HB   GLU  18          2HB       GLU  18  -7.632 -10.498   9.208
  133   2HB   GLU  18          1HB       GLU  18  -6.722 -11.453  10.371
  134   1HG   GLU  18          2HG       GLU  18  -5.206 -10.192   8.096
  135   2HG   GLU  18          1HG       GLU  18  -5.757  -9.145   9.398
  136    H    LYS  19           H        LYS  19  -9.109 -12.200   7.478
  137    HA   LYS  19           HA       LYS  19  -9.984 -14.626   9.014
  138   1HB   LYS  19          2HB       LYS  19 -11.469 -12.029   8.516
  139   2HB   LYS  19          1HB       LYS  19 -12.181 -13.458   9.266
  140   1HG   LYS  19          2HG       LYS  19 -11.010 -13.171  11.252
  141   2HG   LYS  19          1HG       LYS  19  -9.614 -12.467  10.453
  142   1HD   LYS  19          2HD       LYS  19 -11.027 -10.923  11.949
  143   2HD   LYS  19          1HD       LYS  19 -10.582 -10.323  10.356
  144   1HE   LYS  19          2HE       LYS  19 -12.769 -10.418   9.580
  145   2HE   LYS  19          1HE       LYS  19 -13.173 -11.818  10.578
  146   1HZ   LYS  19          1HZ       LYS  19 -13.976  -9.352  11.126
  147   2HZ   LYS  19          2HZ       LYS  19 -12.527  -9.381  12.013
  148   3HZ   LYS  19          3HZ       LYS  19 -13.734 -10.538  12.314
  149    H    ALA  20           H        ALA  20  -9.054 -14.500   6.220
  150    HA   ALA  20           HA       ALA  20 -11.248 -14.410   4.381
  151   1HB   ALA  20          1HB       ALA  20  -8.475 -15.566   4.307
  152   2HB   ALA  20          2HB       ALA  20  -9.202 -14.333   3.277
  153   3HB   ALA  20          3HB       ALA  20  -9.614 -16.027   3.039
  154    H    ASP  21           H        ASP  21 -10.341 -16.788   6.693
  155    HA   ASP  21           HA       ASP  21 -11.348 -18.817   7.285
  156   1HB   ASP  21          2HB       ASP  21 -13.399 -18.353   5.114
  157   2HB   ASP  21          1HB       ASP  21 -13.589 -19.204   6.648
  158    H    ASN  22           H        ASN  22 -11.014 -18.134   3.838
  159    HA   ASN  22           HA       ASN  22  -9.742 -20.784   3.475
  160   1HB   ASN  22          2HB       ASN  22 -12.000 -19.927   1.645
  161   2HB   ASN  22          1HB       ASN  22 -11.158 -21.477   1.667
  162   1HD2  ASN  22          1HD2      ASN  22 -13.637 -19.557   3.259
  163   2HD2  ASN  22          2HD2      ASN  22 -14.198 -20.791   4.285
  164    H    ALA  23           H        ALA  23  -8.352 -20.839   1.653
  165    HA   ALA  23           HA       ALA  23  -7.044 -18.450   0.954
  166   1HB   ALA  23          1HB       ALA  23  -7.224 -20.884  -0.841
  167   2HB   ALA  23          2HB       ALA  23  -6.193 -20.807   0.583
  168   3HB   ALA  23          3HB       ALA  23  -5.913 -19.704  -0.760
  169    H    ALA  24           H        ALA  24 -10.054 -19.661  -0.215
  170    HA   ALA  24           HA       ALA  24 -10.020 -18.413  -2.803
  171   1HB   ALA  24          1HB       ALA  24 -12.452 -18.915  -1.063
  172   2HB   ALA  24          2HB       ALA  24 -11.666 -20.169  -2.020
  173   3HB   ALA  24          3HB       ALA  24 -12.408 -18.783  -2.821
  174    H    GLN  25           H        GLN  25 -11.476 -17.297   0.317
  175    HA   GLN  25           HA       GLN  25 -12.237 -14.741  -0.753
  176   1HB   GLN  25          2HB       GLN  25 -11.729 -15.687   2.078
  177   2HB   GLN  25          1HB       GLN  25 -12.272 -14.053   1.702
  178   1HG   GLN  25          2HG       GLN  25 -14.429 -14.782   1.556
  179   2HG   GLN  25          1HG       GLN  25 -13.982 -15.889   0.261
  180   1HE2  GLN  25          1HE2      GLN  25 -13.677 -18.139   0.806
  181   2HE2  GLN  25          2HE2      GLN  25 -14.029 -18.757   2.349
  182    H    VAL  26           H        VAL  26  -9.161 -15.982   0.210
  183    HA   VAL  26           HA       VAL  26  -7.938 -13.486   0.944
  184    HB   VAL  26           HB       VAL  26  -6.891 -16.136  -0.065
  185   1HG1  VAL  26          1HG1      VAL  26  -5.278 -14.658  -0.922
  186   2HG1  VAL  26          2HG1      VAL  26  -4.608 -15.175   0.624
  187   3HG1  VAL  26          3HG1      VAL  26  -5.377 -13.596   0.479
  188   1HG2  VAL  26          1HG2      VAL  26  -7.006 -14.749   2.604
  189   2HG2  VAL  26          2HG2      VAL  26  -5.791 -15.984   2.302
  190   3HG2  VAL  26          3HG2      VAL  26  -7.500 -16.385   2.179
  191    H    LYS  27           H        LYS  27  -8.105 -15.319  -2.116
  192    HA   LYS  27           HA       LYS  27  -6.644 -13.545  -3.757
  193   1HB   LYS  27          2HB       LYS  27  -9.146 -15.081  -4.515
  194   2HB   LYS  27          1HB       LYS  27  -7.920 -14.457  -5.615
  195   1HG   LYS  27          2HG       LYS  27  -6.231 -15.901  -4.523
  196   2HG   LYS  27          1HG       LYS  27  -7.471 -16.534  -3.453
  197   1HD   LYS  27          2HD       LYS  27  -6.997 -18.037  -5.407
  198   2HD   LYS  27          1HD       LYS  27  -8.677 -17.518  -5.313
  199   1HE   LYS  27          2HE       LYS  27  -8.481 -16.104  -7.163
  200   2HE   LYS  27          1HE       LYS  27  -6.740 -15.914  -6.964
  201   1HZ   LYS  27          1HZ       LYS  27  -7.260 -17.324  -8.846
  202   2HZ   LYS  27          2HZ       LYS  27  -8.119 -18.391  -7.840
  203   3HZ   LYS  27          3HZ       LYS  27  -6.441 -18.203  -7.649
  204    H    ASP  28           H        ASP  28 -10.085 -13.568  -2.943
  205    HA   ASP  28           HA       ASP  28 -10.853 -11.331  -4.525
  206   1HB   ASP  28          2HB       ASP  28 -12.154 -13.121  -2.899
  207   2HB   ASP  28          1HB       ASP  28 -12.256 -11.678  -1.918
  208    H    ALA  29           H        ALA  29 -10.384 -11.382  -1.000
  209    HA   ALA  29           HA       ALA  29 -10.435  -8.712  -0.399
  210   1HB   ALA  29          1HB       ALA  29  -9.183  -9.201   1.521
  211   2HB   ALA  29          2HB       ALA  29  -8.149 -10.353   0.672
  212   3HB   ALA  29          3HB       ALA  29  -9.811 -10.779   1.050
  213    H    LEU  30           H        LEU  30  -7.430 -10.350  -1.494
  214    HA   LEU  30           HA       LEU  30  -5.895  -7.976  -1.590
  215   1HB   LEU  30          2HB       LEU  30  -5.719 -10.625  -2.997
  216   2HB   LEU  30          1HB       LEU  30  -4.510  -9.357  -3.321
  217    HG   LEU  30           HG       LEU  30  -5.175 -10.123  -0.459
  218   1HD1  LEU  30          1HD1      LEU  30  -4.579 -12.211  -1.809
  219   2HD1  LEU  30          2HD1      LEU  30  -3.545 -11.854  -0.428
  220   3HD1  LEU  30          3HD1      LEU  30  -3.000 -11.465  -2.053
  221   1HD2  LEU  30          1HD2      LEU  30  -3.643  -8.122  -1.355
  222   2HD2  LEU  30          2HD2      LEU  30  -2.445  -9.400  -1.499
  223   3HD2  LEU  30          3HD2      LEU  30  -3.178  -9.054   0.065
  224    H    THR  31           H        THR  31  -8.043  -9.423  -4.007
  225    HA   THR  31           HA       THR  31  -7.311  -7.659  -6.135
  226    HB   THR  31           HB       THR  31  -9.897  -9.136  -5.554
  227    HG1  THR  31           1HG      THR  31  -8.319 -10.576  -5.964
  228   1HG2  THR  31          1HG2      THR  31  -8.972  -7.574  -7.954
  229   2HG2  THR  31          2HG2      THR  31 -10.475  -7.390  -7.049
  230   3HG2  THR  31          3HG2      THR  31 -10.223  -8.814  -8.055
  231    H    LYS  32           H        LYS  32  -9.358  -7.332  -3.305
  232    HA   LYS  32           HA       LYS  32 -10.657  -4.877  -4.191
  233   1HB   LYS  32          2HB       LYS  32 -10.241  -5.562  -1.274
  234   2HB   LYS  32          1HB       LYS  32 -11.595  -4.723  -2.027
  235   1HG   LYS  32          2HG       LYS  32 -10.963  -7.633  -2.491
  236   2HG   LYS  32          1HG       LYS  32 -12.076  -7.089  -1.265
  237   1HD   LYS  32          2HD       LYS  32 -13.753  -6.783  -2.776
  238   2HD   LYS  32          1HD       LYS  32 -12.711  -5.882  -3.870
  239   1HE   LYS  32          2HE       LYS  32 -11.967  -7.855  -4.963
  240   2HE   LYS  32          1HE       LYS  32 -12.532  -8.894  -3.654
  241   1HZ   LYS  32          1HZ       LYS  32 -14.039  -8.981  -5.534
  242   2HZ   LYS  32          2HZ       LYS  32 -14.258  -7.298  -5.479
  243   3HZ   LYS  32          3HZ       LYS  32 -14.809  -8.272  -4.201
  244    H    MET  33           H        MET  33  -7.806  -5.760  -2.298
  245    HA   MET  33           HA       MET  33  -7.022  -3.135  -1.532
  246   1HB   MET  33          2HB       MET  33  -5.609  -5.733  -1.983
  247   2HB   MET  33          1HB       MET  33  -4.614  -4.291  -1.841
  248   1HG   MET  33          2HG       MET  33  -6.083  -3.862   0.331
  249   2HG   MET  33          1HG       MET  33  -6.343  -5.600   0.235
  250   1HE   MET  33          1HE       MET  33  -5.124  -6.567   2.161
  251   2HE   MET  33          2HE       MET  33  -3.454  -7.046   1.864
  252   3HE   MET  33          3HE       MET  33  -4.685  -7.358   0.643
  253    H    ARG  34           H        ARG  34  -6.217  -5.040  -4.469
  254    HA   ARG  34           HA       ARG  34  -4.542  -3.341  -5.855
  255   1HB   ARG  34          2HB       ARG  34  -6.703  -5.189  -6.575
  256   2HB   ARG  34          1HB       ARG  34  -6.493  -3.951  -7.799
  257   1HG   ARG  34          2HG       ARG  34  -5.067  -5.771  -8.421
  258   2HG   ARG  34          1HG       ARG  34  -4.005  -4.531  -7.762
  259   1HD   ARG  34          2HD       ARG  34  -5.117  -6.794  -6.081
  260   2HD   ARG  34          1HD       ARG  34  -3.582  -6.906  -6.934
  261    HE   ARG  34           HE       ARG  34  -4.039  -5.466  -4.480
  262   1HH1  ARG  34          1HH2      ARG  34  -2.364  -5.402  -7.493
  263   2HH1  ARG  34          2HH2      ARG  34  -1.029  -4.487  -6.876
  264   1HH2  ARG  34          1HH1      ARG  34  -2.320  -4.272  -3.669
  265   2HH2  ARG  34          2HH1      ARG  34  -1.013  -3.826  -4.716
  266    H    ALA  35           H        ALA  35  -8.070  -3.003  -5.676
  267    HA   ALA  35           HA       ALA  35  -8.156  -0.487  -7.078
  268   1HB   ALA  35          1HB       ALA  35 -10.198  -1.221  -4.995
  269   2HB   ALA  35          2HB       ALA  35 -10.042  -2.218  -6.445
  270   3HB   ALA  35          3HB       ALA  35 -10.436  -0.502  -6.591
  271    H    ALA  36           H        ALA  36  -8.291  -1.259  -3.580
  272    HA   ALA  36           HA       ALA  36  -8.185   1.488  -2.709
  273   1HB   ALA  36          1HB       ALA  36  -7.145  -0.839  -1.090
  274   2HB   ALA  36          2HB       ALA  36  -8.871  -0.647  -1.391
  275   3HB   ALA  36          3HB       ALA  36  -7.984   0.609  -0.532
  276    H    ALA  37           H        ALA  37  -5.798  -0.738  -3.882
  277    HA   ALA  37           HA       ALA  37  -3.468   0.320  -2.581
  278   1HB   ALA  37          1HB       ALA  37  -3.506  -0.913  -5.339
  279   2HB   ALA  37          2HB       ALA  37  -3.715  -1.878  -3.877
  280   3HB   ALA  37          3HB       ALA  37  -2.224  -0.973  -4.128
  281    H    LEU  38           H        LEU  38  -4.222   0.671  -6.063
  282    HA   LEU  38           HA       LEU  38  -2.508   2.932  -6.310
  283   1HB   LEU  38          2HB       LEU  38  -4.860   2.336  -8.115
  284   2HB   LEU  38          1HB       LEU  38  -3.409   3.261  -8.503
  285    HG   LEU  38           HG       LEU  38  -3.183   0.379  -7.619
  286   1HD1  LEU  38          1HD1      LEU  38  -3.101  -0.163 -10.103
  287   2HD1  LEU  38          2HD1      LEU  38  -3.837   1.413 -10.381
  288   3HD1  LEU  38          3HD1      LEU  38  -4.700   0.189  -9.450
  289   1HD2  LEU  38          1HD2      LEU  38  -1.107   0.487  -8.934
  290   2HD2  LEU  38          2HD2      LEU  38  -1.136   1.787  -7.749
  291   3HD2  LEU  38          3HD2      LEU  38  -1.495   2.132  -9.440
  292    H    ASP  39           H        ASP  39  -5.677   2.627  -5.063
  293    HA   ASP  39           HA       ASP  39  -6.613   5.301  -5.566
  294   1HB   ASP  39          2HB       ASP  39  -8.049   3.437  -4.634
  295   2HB   ASP  39          1HB       ASP  39  -7.169   3.588  -3.114
  296    H    ALA  40           H        ALA  40  -4.649   3.771  -3.055
  297    HA   ALA  40           HA       ALA  40  -4.261   6.112  -1.471
  298   1HB   ALA  40          1HB       ALA  40  -2.053   4.895  -0.849
  299   2HB   ALA  40          2HB       ALA  40  -2.664   3.583  -1.853
  300   3HB   ALA  40          3HB       ALA  40  -3.576   4.110  -0.438
  301    H    GLN  41           H        GLN  41  -2.852   4.994  -4.508
  302    HA   GLN  41           HA       GLN  41  -0.523   6.575  -4.682
  303   1HB   GLN  41          2HB       GLN  41  -1.688   5.042  -6.520
  304   2HB   GLN  41          1HB       GLN  41  -2.462   6.539  -7.005
  305   1HG   GLN  41          2HG       GLN  41   0.495   5.898  -7.011
  306   2HG   GLN  41          1HG       GLN  41  -0.517   6.397  -8.358
  307   1HE2  GLN  41          1HE2      GLN  41  -1.633   8.689  -7.878
  308   2HE2  GLN  41          2HE2      GLN  41  -0.581   9.863  -7.250
  309    H    LYS  42           H        LYS  42  -3.911   7.434  -4.961
  310    HA   LYS  42           HA       LYS  42  -3.308  10.266  -5.502
  311   1HB   LYS  42          2HB       LYS  42  -6.069   9.375  -4.716
  312   2HB   LYS  42          1HB       LYS  42  -5.567  10.526  -5.949
  313   1HG   LYS  42          2HG       LYS  42  -4.510   8.233  -6.998
  314   2HG   LYS  42          1HG       LYS  42  -5.882   7.562  -6.129
  315   1HD   LYS  42          2HD       LYS  42  -6.904   8.038  -8.161
  316   2HD   LYS  42          1HD       LYS  42  -7.198   9.559  -7.323
  317   1HE   LYS  42          2HE       LYS  42  -5.398  10.647  -8.469
  318   2HE   LYS  42          1HE       LYS  42  -4.741   9.121  -9.053
  319   1HZ   LYS  42          1HZ       LYS  42  -6.780  10.749 -10.189
  320   2HZ   LYS  42          2HZ       LYS  42  -7.316   9.151  -9.965
  321   3HZ   LYS  42          3HZ       LYS  42  -5.915   9.465 -10.875
  322    H    ALA  43           H        ALA  43  -5.513   8.932  -3.022
  323    HA   ALA  43           HA       ALA  43  -4.613  11.037  -1.163
  324   1HB   ALA  43          1HB       ALA  43  -6.495  10.501   0.125
  325   2HB   ALA  43          2HB       ALA  43  -6.564   8.844  -0.475
  326   3HB   ALA  43          3HB       ALA  43  -7.043  10.184  -1.517
  327    H    THR  44           H        THR  44  -2.613  10.553  -0.292
  328    HA   THR  44           HA       THR  44  -2.393   7.995   1.239
  329    HB   THR  44           HB       THR  44  -1.031   7.451  -0.578
  330    HG1  THR  44           1HG      THR  44   1.166   8.024   0.073
  331   1HG2  THR  44          1HG2      THR  44  -0.365  10.390  -0.697
  332   2HG2  THR  44          2HG2      THR  44  -1.237   9.428  -1.887
  333   3HG2  THR  44          3HG2      THR  44   0.494   9.181  -1.649
  334    HA   PRO  45           HA       PRO  45  -1.404  10.303   4.835
  335   1HB   PRO  45          2HB       PRO  45   1.338   9.040   4.676
  336   2HB   PRO  45          1HB       PRO  45   0.301   9.308   6.092
  337   1HG   PRO  45          2HG       PRO  45   0.384   6.936   4.908
  338   2HG   PRO  45          1HG       PRO  45  -1.143   7.593   5.529
  339   1HD   PRO  45          2HD       PRO  45  -0.258   7.273   2.707
  340   2HD   PRO  45          1HD       PRO  45  -1.908   7.338   3.367
  341    HA   PRO  46           HA       PRO  46   1.981  13.203   3.299
  342   1HB   PRO  46          2HB       PRO  46   3.719  12.318   1.297
  343   2HB   PRO  46          1HB       PRO  46   3.958  12.053   3.036
  344   1HG   PRO  46          2HG       PRO  46   3.427  10.069   1.063
  345   2HG   PRO  46          1HG       PRO  46   3.515   9.844   2.820
  346   1HD   PRO  46          2HD       PRO  46   1.104  10.266   1.090
  347   2HD   PRO  46          1HD       PRO  46   1.290   9.248   2.532
  348    H    LYS  47           H        LYS  47  -0.056  11.812   0.963
  349    HA   LYS  47           HA       LYS  47  -0.924  12.621  -1.041
  350   1HB   LYS  47          2HB       LYS  47  -0.264  15.466  -0.415
  351   2HB   LYS  47          1HB       LYS  47  -1.779  14.762  -0.945
  352   1HG   LYS  47          2HG       LYS  47  -2.571  14.799   1.181
  353   2HG   LYS  47          1HG       LYS  47  -1.268  13.763   1.716
  354   1HD   LYS  47          2HD       LYS  47  -0.974  15.666   3.053
  355   2HD   LYS  47          1HD       LYS  47   0.167  15.975   1.745
  356   1HE   LYS  47          2HE       LYS  47  -0.943  18.005   1.727
  357   2HE   LYS  47          1HE       LYS  47  -2.030  17.120   0.658
  358   1HZ   LYS  47          1HZ       LYS  47  -2.364  17.768   3.519
  359   2HZ   LYS  47          2HZ       LYS  47  -3.207  16.463   2.826
  360   3HZ   LYS  47          3HZ       LYS  47  -3.437  18.040   2.231
  361    H    LEU  48           H        LEU  48   1.877  11.922  -1.022
  362    HA   LEU  48           HA       LEU  48   3.773  12.104  -2.339
  363   1HB   LEU  48          2HB       LEU  48   2.159  11.944  -4.190
  364   2HB   LEU  48          1HB       LEU  48   1.889  13.668  -4.140
  365    HG   LEU  48           HG       LEU  48   3.578  12.510  -5.906
  366   1HD1  LEU  48          1HD1      LEU  48   4.706  14.691  -6.124
  367   2HD1  LEU  48          2HD1      LEU  48   4.045  15.159  -4.566
  368   3HD1  LEU  48          3HD1      LEU  48   2.963  14.856  -5.915
  369   1HD2  LEU  48          1HD2      LEU  48   5.522  13.398  -3.765
  370   2HD2  LEU  48          2HD2      LEU  48   5.859  12.589  -5.288
  371   3HD2  LEU  48          3HD2      LEU  48   5.078  11.714  -3.990
  372    H    GLU  49           H        GLU  49   2.285  15.329  -2.812
  373    HA   GLU  49           HA       GLU  49   4.638  16.491  -1.351
  374   1HB   GLU  49          2HB       GLU  49   3.410  17.278  -3.978
  375   2HB   GLU  49          1HB       GLU  49   3.969  18.567  -2.922
  376   1HG   GLU  49          2HG       GLU  49   5.768  16.204  -3.486
  377   2HG   GLU  49          1HG       GLU  49   5.659  17.522  -4.638
  378    H    ASP  50           H        ASP  50   3.623  19.081  -1.126
  379    HA   ASP  50           HA       ASP  50   1.274  18.555   0.655
  380   1HB   ASP  50          2HB       ASP  50   3.222  20.881   0.538
  381   2HB   ASP  50          1HB       ASP  50   1.934  20.680   1.725
  382    H    LYS  51           H        LYS  51   1.353  19.233  -2.448
  383    HA   LYS  51           HA       LYS  51  -1.009  20.944  -2.301
  384   1HB   LYS  51          2HB       LYS  51   0.017  22.747  -3.752
  385   2HB   LYS  51          1HB       LYS  51   0.590  22.708  -2.086
  386   1HG   LYS  51          2HG       LYS  51   2.246  20.954  -3.743
  387   2HG   LYS  51          1HG       LYS  51   2.179  22.564  -4.449
  388   1HD   LYS  51          2HD       LYS  51   2.948  23.569  -2.383
  389   2HD   LYS  51          1HD       LYS  51   2.855  22.020  -1.544
  390   1HE   LYS  51          2HE       LYS  51   5.171  22.806  -2.441
  391   2HE   LYS  51          1HE       LYS  51   4.688  21.133  -2.714
  392   1HZ   LYS  51          1HZ       LYS  51   4.432  21.471  -4.915
  393   2HZ   LYS  51          2HZ       LYS  51   5.523  22.746  -4.648
  394   3HZ   LYS  51          3HZ       LYS  51   3.856  23.054  -4.729
  395    H    SER  52           H        SER  52   1.092  21.191  -5.089
  396    HA   SER  52           HA       SER  52   0.137  18.893  -6.529
  397   1HB   SER  52          2HB       SER  52  -1.426  21.438  -6.641
  398   2HB   SER  52          1HB       SER  52  -1.237  20.530  -8.141
  399    HG   SER  52           HG       SER  52  -3.035  19.740  -7.125
  400    HA   PRO  53           HA       PRO  53   4.050  21.103  -7.936
  401   1HB   PRO  53          2HB       PRO  53   4.325  18.246  -8.853
  402   2HB   PRO  53          1HB       PRO  53   5.559  19.341  -8.200
  403   1HG   PRO  53          2HG       PRO  53   4.501  17.488  -6.657
  404   2HG   PRO  53          1HG       PRO  53   4.788  19.123  -6.027
  405   1HD   PRO  53          2HD       PRO  53   2.195  17.838  -6.806
  406   2HD   PRO  53          1HD       PRO  53   2.528  19.016  -5.516
  407    H    ASP  54           H        ASP  54   3.081  18.436 -10.078
  408    HA   ASP  54           HA       ASP  54   2.438  20.432 -12.229
  409   1HB   ASP  54          2HB       ASP  54   3.797  17.726 -12.561
  410   2HB   ASP  54          1HB       ASP  54   3.435  18.877 -13.848
  411    H    SER  55           H        SER  55   2.104  17.102 -11.128
  412    HA   SER  55           HA       SER  55  -0.009  16.107 -10.613
  413   1HB   SER  55          2HB       SER  55  -2.037  16.546 -11.750
  414   2HB   SER  55          1HB       SER  55  -1.302  18.105 -11.412
  415    HG   SER  55           HG       SER  55  -2.106  17.910 -13.562
  416    HA   PRO  56           HA       PRO  56   0.430  13.495 -14.544
  417   1HB   PRO  56          2HB       PRO  56   2.631  14.572 -16.175
  418   2HB   PRO  56          1HB       PRO  56   0.968  14.202 -16.671
  419   1HG   PRO  56          2HG       PRO  56   1.926  16.728 -16.510
  420   2HG   PRO  56          1HG       PRO  56   0.224  16.324 -16.212
  421   1HD   PRO  56          2HD       PRO  56   2.414  16.824 -14.209
  422   2HD   PRO  56          1HD       PRO  56   0.743  17.400 -14.216
  423    H    GLU  57           H        GLU  57   3.238  15.169 -13.266
  424    HA   GLU  57           HA       GLU  57   5.049  12.913 -13.401
  425   1HB   GLU  57          2HB       GLU  57   5.583  15.468 -13.127
  426   2HB   GLU  57          1HB       GLU  57   5.327  15.168 -11.411
  427   1HG   GLU  57          2HG       GLU  57   7.648  14.810 -11.689
  428   2HG   GLU  57          1HG       GLU  57   6.974  13.180 -11.720
  429    H    MET  58           H        MET  58   2.421  13.742 -11.379
  430    HA   MET  58           HA       MET  58   3.294  12.547  -8.918
  431   1HB   MET  58          2HB       MET  58   1.260  13.999  -9.163
  432   2HB   MET  58          1HB       MET  58   0.464  12.684 -10.024
  433   1HG   MET  58          2HG       MET  58   0.233  11.388  -8.105
  434   2HG   MET  58          1HG       MET  58   1.653  12.087  -7.328
  435   1HE   MET  58          1HE       MET  58  -1.656  11.550  -6.635
  436   2HE   MET  58          2HE       MET  58  -1.871  12.770  -5.381
  437   3HE   MET  58          3HE       MET  58  -0.436  11.752  -5.370
  438    H    LYS  59           H        LYS  59   1.902  11.225 -11.901
  439    HA   LYS  59           HA       LYS  59   1.339   8.626 -10.898
  440   1HB   LYS  59          2HB       LYS  59   1.180   9.785 -13.396
  441   2HB   LYS  59          1HB       LYS  59   2.562   8.718 -13.620
  442   1HG   LYS  59          2HG       LYS  59   0.829   7.252 -14.152
  443   2HG   LYS  59          1HG       LYS  59   0.978   6.932 -12.422
  444   1HD   LYS  59          2HD       LYS  59  -0.776   8.953 -12.258
  445   2HD   LYS  59          1HD       LYS  59  -1.149   8.462 -13.909
  446   1HE   LYS  59          2HE       LYS  59  -2.592   7.018 -12.845
  447   2HE   LYS  59          1HE       LYS  59  -1.150   6.024 -12.668
  448   1HZ   LYS  59          1HZ       LYS  59  -1.663   6.144 -10.506
  449   2HZ   LYS  59          2HZ       LYS  59  -2.609   7.543 -10.685
  450   3HZ   LYS  59          3HZ       LYS  59  -0.917   7.667 -10.575
  451    H    ASP  60           H        ASP  60   4.359  10.173 -11.919
  452    HA   ASP  60           HA       ASP  60   6.071   7.918 -11.873
  453   1HB   ASP  60          2HB       ASP  60   6.642  10.390 -12.419
  454   2HB   ASP  60          1HB       ASP  60   6.844  10.591 -10.678
  455    H    PHE  61           H        PHE  61   4.855   9.987  -9.243
  456    HA   PHE  61           HA       PHE  61   6.250   8.713  -7.154
  457   1HB   PHE  61          2HB       PHE  61   4.786  10.774  -6.914
  458   2HB   PHE  61          1HB       PHE  61   3.390   9.710  -6.954
  459    HD1  PHE  61           1HD      PHE  61   2.472   9.419  -4.832
  460    HD2  PHE  61           2HD      PHE  61   6.767   9.525  -5.228
  461    HE1  PHE  61           1HE      PHE  61   2.726   8.992  -2.408
  462    HE2  PHE  61           2HE      PHE  61   7.000   9.075  -2.820
  463    HZ   PHE  61           HZ       PHE  61   4.988   8.812  -1.403
  464    H    ARG  62           H        ARG  62   3.471   7.655  -9.039
  465    HA   ARG  62           HA       ARG  62   2.665   5.447  -7.444
  466   1HB   ARG  62          2HB       ARG  62   1.614   6.284  -9.664
  467   2HB   ARG  62          1HB       ARG  62   2.851   5.307 -10.454
  468   1HG   ARG  62          2HG       ARG  62   1.755   3.575  -8.498
  469   2HG   ARG  62          1HG       ARG  62   0.365   4.433  -9.159
  470   1HD   ARG  62          2HD       ARG  62   2.453   3.067 -10.850
  471   2HD   ARG  62          1HD       ARG  62   0.934   2.318 -10.373
  472    HE   ARG  62           HE       ARG  62   0.574   4.905 -11.674
  473   1HH1  ARG  62          1HH2      ARG  62   1.019   1.509 -12.034
  474   2HH1  ARG  62          2HH2      ARG  62   0.293   1.442 -13.605
  475   1HH2  ARG  62          1HH1      ARG  62  -0.375   4.845 -13.724
  476   2HH2  ARG  62          2HH1      ARG  62  -0.516   3.331 -14.554
  477    H    HIS  63           H        HIS  63   5.444   5.885  -9.615
  478    HA   HIS  63           HA       HIS  63   6.350   3.208  -9.749
  479   1HB   HIS  63          2HB       HIS  63   7.620   4.968 -10.877
  480   2HB   HIS  63          1HB       HIS  63   7.987   5.736  -9.335
  481    HD1  HIS  63           1HD      HIS  63   8.525   2.316 -10.949
  482    HD2  HIS  63           2HD      HIS  63  10.405   4.946  -8.316
  483    HE1  HIS  63           1HE      HIS  63  10.764   1.279 -10.373
  484    H    GLY  64           H        GLY  64   6.281   5.508  -7.141
  485   1HA   GLY  64          2HA       GLY  64   7.891   3.968  -5.267
  486   2HA   GLY  64          1HA       GLY  64   6.786   5.279  -4.840
  487    H    PHE  65           H        PHE  65   4.346   4.466  -5.566
  488    HA   PHE  65           HA       PHE  65   3.672   2.385  -3.660
  489   1HB   PHE  65          2HB       PHE  65   2.239   4.129  -5.615
  490   2HB   PHE  65          1HB       PHE  65   1.419   2.631  -5.207
  491    HD1  PHE  65           1HD      PHE  65   2.439   5.928  -4.047
  492    HD2  PHE  65           2HD      PHE  65   0.811   2.144  -2.841
  493    HE1  PHE  65           1HE      PHE  65   1.628   6.949  -1.949
  494    HE2  PHE  65           2HE      PHE  65  -0.008   3.166  -0.732
  495    HZ   PHE  65           HZ       PHE  65   0.394   5.575  -0.290
  496    H    ASP  66           H        ASP  66   3.764   2.558  -7.203
  497    HA   ASP  66           HA       ASP  66   2.738   0.165  -8.001
  498   1HB   ASP  66          2HB       ASP  66   3.944   1.940  -9.411
  499   2HB   ASP  66          1HB       ASP  66   5.426   1.055  -9.050
  500    H    ILE  67           H        ILE  67   5.971   0.668  -6.582
  501    HA   ILE  67           HA       ILE  67   6.816  -2.072  -6.766
  502    HB   ILE  67           HB       ILE  67   7.642   0.134  -4.862
  503   1HG1  ILE  67          2HG1      ILE  67   7.872   0.220  -7.568
  504   2HG1  ILE  67          1HG1      ILE  67   9.105   0.869  -6.505
  505   1HG2  ILE  67          1HG2      ILE  67   8.781  -2.604  -5.456
  506   2HG2  ILE  67          2HG2      ILE  67   8.367  -1.907  -3.891
  507   3HG2  ILE  67          3HG2      ILE  67   9.772  -1.312  -4.775
  508   1HD1  ILE  67          1HD1      ILE  67  10.544  -0.962  -6.847
  509   2HD1  ILE  67          2HD1      ILE  67   9.822  -0.731  -8.439
  510   3HD1  ILE  67          3HD1      ILE  67   9.234  -2.015  -7.385
  511    H    LEU  68           H        LEU  68   5.813  -0.242  -3.820
  512    HA   LEU  68           HA       LEU  68   5.632  -2.575  -2.234
  513   1HB   LEU  68          2HB       LEU  68   4.623  -1.280  -0.545
  514   2HB   LEU  68          1HB       LEU  68   5.654  -0.165  -1.439
  515    HG   LEU  68           HG       LEU  68   3.368   0.234  -2.810
  516   1HD1  LEU  68          1HD1      LEU  68   2.231  -1.448  -1.165
  517   2HD1  LEU  68          2HD1      LEU  68   1.403   0.067  -1.513
  518   3HD1  LEU  68          3HD1      LEU  68   2.303  -0.125  -0.008
  519   1HD2  LEU  68          1HD2      LEU  68   4.023   1.495  -0.119
  520   2HD2  LEU  68          2HD2      LEU  68   3.018   2.221  -1.368
  521   3HD2  LEU  68          3HD2      LEU  68   4.736   1.965  -1.660
  522    H    VAL  69           H        VAL  69   2.958  -1.012  -4.083
  523    HA   VAL  69           HA       VAL  69   1.002  -2.921  -3.225
  524    HB   VAL  69           HB       VAL  69  -0.353  -2.181  -5.059
  525   1HG1  VAL  69          1HG1      VAL  69  -0.234   0.262  -4.808
  526   2HG1  VAL  69          2HG1      VAL  69   1.380   0.109  -4.114
  527   3HG1  VAL  69          3HG1      VAL  69  -0.015  -0.545  -3.257
  528   1HG2  VAL  69          1HG2      VAL  69   0.730  -0.636  -6.803
  529   2HG2  VAL  69          2HG2      VAL  69   1.064  -2.362  -6.939
  530   3HG2  VAL  69          3HG2      VAL  69   2.262  -1.289  -6.232
  531    H    GLY  70           H        GLY  70   3.655  -3.203  -5.376
  532   1HA   GLY  70          2HA       GLY  70   2.655  -5.316  -7.065
  533   2HA   GLY  70          1HA       GLY  70   4.358  -4.932  -6.806
  534    H    GLN  71           H        GLN  71   4.553  -5.377  -4.022
  535    HA   GLN  71           HA       GLN  71   4.644  -8.268  -4.051
  536   1HB   GLN  71          2HB       GLN  71   5.183  -7.905  -1.524
  537   2HB   GLN  71          1HB       GLN  71   6.348  -7.373  -2.735
  538   1HG   GLN  71          2HG       GLN  71   5.569  -5.088  -2.570
  539   2HG   GLN  71          1HG       GLN  71   4.240  -5.574  -1.514
  540   1HE2  GLN  71          1HE2      GLN  71   6.566  -7.589  -0.479
  541   2HE2  GLN  71          2HE2      GLN  71   7.284  -6.637   0.725
  542    H    ILE  72           H        ILE  72   2.315  -5.919  -2.867
  543    HA   ILE  72           HA       ILE  72   0.874  -7.629  -1.076
  544    HB   ILE  72           HB       ILE  72  -0.078  -5.365  -2.869
  545   1HG1  ILE  72          2HG1      ILE  72   0.351  -5.486   0.137
  546   2HG1  ILE  72          1HG1      ILE  72   1.531  -4.840  -0.998
  547   1HG2  ILE  72          1HG2      ILE  72  -2.025  -6.686  -2.451
  548   2HG2  ILE  72          2HG2      ILE  72  -2.077  -5.396  -1.253
  549   3HG2  ILE  72          3HG2      ILE  72  -1.537  -7.009  -0.789
  550   1HD1  ILE  72          1HD1      ILE  72  -0.992  -3.641  -0.020
  551   2HD1  ILE  72          2HD1      ILE  72  -0.714  -3.439  -1.744
  552   3HD1  ILE  72          3HD1      ILE  72   0.474  -2.858  -0.584
  553    H    ASP  73           H        ASP  73   0.312  -6.898  -4.532
  554    HA   ASP  73           HA       ASP  73  -1.709  -8.863  -4.993
  555   1HB   ASP  73          2HB       ASP  73  -1.285  -7.224  -6.691
  556   2HB   ASP  73          1HB       ASP  73   0.412  -7.624  -6.783
  557    H    ASP  74           H        ASP  74   1.850  -9.024  -4.978
  558    HA   ASP  74           HA       ASP  74   1.965 -11.586  -6.141
  559   1HB   ASP  74          2HB       ASP  74   3.982 -10.238  -5.848
  560   2HB   ASP  74          1HB       ASP  74   3.832 -10.370  -4.092
  561    H    ALA  75           H        ALA  75   0.976 -10.578  -2.979
  562    HA   ALA  75           HA       ALA  75   1.288 -13.209  -1.771
  563   1HB   ALA  75          1HB       ALA  75   1.027 -11.156  -0.377
  564   2HB   ALA  75          2HB       ALA  75  -0.206 -12.368  -0.019
  565   3HB   ALA  75          3HB       ALA  75  -0.608 -10.961  -1.007
  566    H    LEU  76           H        LEU  76  -1.018 -11.441  -3.668
  567    HA   LEU  76           HA       LEU  76  -3.302 -13.164  -3.547
  568   1HB   LEU  76          2HB       LEU  76  -2.924 -10.793  -4.631
  569   2HB   LEU  76          1HB       LEU  76  -2.401 -11.695  -6.046
  570    HG   LEU  76           HG       LEU  76  -5.065 -12.082  -4.658
  571   1HD1  LEU  76          1HD1      LEU  76  -5.970 -10.846  -6.649
  572   2HD1  LEU  76          2HD1      LEU  76  -4.312 -10.466  -7.110
  573   3HD1  LEU  76          3HD1      LEU  76  -4.970  -9.839  -5.598
  574   1HD2  LEU  76          1HD2      LEU  76  -5.485 -13.055  -7.103
  575   2HD2  LEU  76          2HD2      LEU  76  -4.744 -14.042  -5.852
  576   3HD2  LEU  76          3HD2      LEU  76  -3.733 -13.284  -7.076
  577    H    LYS  77           H        LYS  77  -0.363 -13.115  -5.414
  578    HA   LYS  77           HA       LYS  77  -0.889 -15.259  -7.197
  579   1HB   LYS  77          2HB       LYS  77   0.951 -13.426  -7.135
  580   2HB   LYS  77          1HB       LYS  77   1.823 -14.552  -6.104
  581   1HG   LYS  77          2HG       LYS  77   1.490 -16.286  -7.929
  582   2HG   LYS  77          1HG       LYS  77   0.916 -14.964  -8.940
  583   1HD   LYS  77          2HD       LYS  77   3.181 -14.865  -9.487
  584   2HD   LYS  77          1HD       LYS  77   3.194 -13.791  -8.080
  585   1HE   LYS  77          2HE       LYS  77   4.996 -15.454  -7.905
  586   2HE   LYS  77          1HE       LYS  77   3.794 -15.729  -6.642
  587   1HZ   LYS  77          1HZ       LYS  77   3.299 -17.712  -7.475
  588   2HZ   LYS  77          2HZ       LYS  77   4.685 -17.572  -8.447
  589   3HZ   LYS  77          3HZ       LYS  77   3.165 -17.119  -9.057
  590    H    LEU  78           H        LEU  78   0.749 -15.121  -4.088
  591    HA   LEU  78           HA       LEU  78   1.476 -17.848  -3.921
  592   1HB   LEU  78          2HB       LEU  78   1.300 -15.453  -2.226
  593   2HB   LEU  78          1HB       LEU  78   1.163 -16.941  -1.334
  594    HG   LEU  78           HG       LEU  78   3.269 -17.755  -2.482
  595   1HD1  LEU  78          1HD1      LEU  78   4.634 -16.156  -3.677
  596   2HD1  LEU  78          2HD1      LEU  78   3.490 -14.859  -3.335
  597   3HD1  LEU  78          3HD1      LEU  78   3.036 -16.172  -4.420
  598   1HD2  LEU  78          1HD2      LEU  78   4.771 -16.420  -1.103
  599   2HD2  LEU  78          2HD2      LEU  78   3.283 -16.740  -0.215
  600   3HD2  LEU  78          3HD2      LEU  78   3.546 -15.159  -0.951
  601    H    ALA  79           H        ALA  79  -1.210 -16.193  -2.188
  602    HA   ALA  79           HA       ALA  79  -2.475 -18.371  -1.080
  603   1HB   ALA  79          1HB       ALA  79  -3.183 -15.875  -1.098
  604   2HB   ALA  79          2HB       ALA  79  -4.451 -17.096  -0.986
  605   3HB   ALA  79          3HB       ALA  79  -4.123 -16.303  -2.526
  606    H    ASN  80           H        ASN  80  -2.462 -17.527  -4.530
  607    HA   ASN  80           HA       ASN  80  -4.518 -19.425  -5.291
  608   1HB   ASN  80          2HB       ASN  80  -2.173 -18.669  -7.043
  609   2HB   ASN  80          1HB       ASN  80  -3.822 -19.060  -7.532
  610   1HD2  ASN  80          1HD2      ASN  80  -5.096 -17.307  -5.444
  611   2HD2  ASN  80          2HD2      ASN  80  -4.789 -15.727  -5.941
  612    H    GLU  81           H        GLU  81  -1.116 -19.603  -4.555
  613    HA   GLU  81           HA       GLU  81  -0.869 -22.401  -5.470
  614   1HB   GLU  81          2HB       GLU  81   1.017 -20.672  -5.493
  615   2HB   GLU  81          1HB       GLU  81   1.048 -20.808  -3.738
  616   1HG   GLU  81          2HG       GLU  81   2.738 -22.286  -4.649
  617   2HG   GLU  81          1HG       GLU  81   1.438 -23.278  -4.002
  618    H    GLY  82           H        GLY  82  -2.386 -20.924  -2.951
  619   1HA   GLY  82          2HA       GLY  82  -3.467 -22.032  -1.141
  620   2HA   GLY  82          1HA       GLY  82  -2.393 -23.408  -1.364
  621    H    LYS  83           H        LYS  83  -1.608 -19.957  -0.764
  622    HA   LYS  83           HA       LYS  83   0.058 -20.841   1.567
  623   1HB   LYS  83          2HB       LYS  83  -0.014 -18.131   0.216
  624   2HB   LYS  83          1HB       LYS  83   1.209 -18.747   1.328
  625   1HG   LYS  83          2HG       LYS  83   0.690 -19.610  -1.507
  626   2HG   LYS  83          1HG       LYS  83   2.156 -18.917  -0.849
  627   1HD   LYS  83          2HD       LYS  83   2.476 -20.960   0.537
  628   2HD   LYS  83          1HD       LYS  83   1.065 -21.678  -0.237
  629   1HE   LYS  83          2HE       LYS  83   2.191 -22.114  -2.177
  630   2HE   LYS  83          1HE       LYS  83   3.107 -20.616  -2.128
  631   1HZ   LYS  83          1HZ       LYS  83   4.808 -21.830  -1.453
  632   2HZ   LYS  83          2HZ       LYS  83   3.840 -23.212  -1.249
  633   3HZ   LYS  83          3HZ       LYS  83   3.992 -22.086   0.012
  634    H    VAL  84           H        VAL  84  -2.158 -21.097   2.632
  635    HA   VAL  84           HA       VAL  84  -3.793 -18.846   3.245
  636    HB   VAL  84           HB       VAL  84  -3.393 -21.172   5.132
  637   1HG1  VAL  84          1HG1      VAL  84  -5.855 -19.564   4.378
  638   2HG1  VAL  84          2HG1      VAL  84  -4.852 -19.232   5.789
  639   3HG1  VAL  84          3HG1      VAL  84  -5.729 -20.758   5.668
  640   1HG2  VAL  84          1HG2      VAL  84  -3.649 -22.068   2.838
  641   2HG2  VAL  84          2HG2      VAL  84  -5.090 -21.077   2.617
  642   3HG2  VAL  84          3HG2      VAL  84  -5.088 -22.381   3.802
  643    H    LYS  85           H        LYS  85  -1.277 -20.355   5.342
  644    HA   LYS  85           HA       LYS  85  -1.459 -18.211   7.268
  645   1HB   LYS  85          2HB       LYS  85   0.959 -19.369   7.831
  646   2HB   LYS  85          1HB       LYS  85  -0.586 -20.008   8.376
  647   1HG   LYS  85          2HG       LYS  85  -0.597 -21.735   6.818
  648   2HG   LYS  85          1HG       LYS  85   0.402 -20.857   5.671
  649   1HD   LYS  85          2HD       LYS  85   1.739 -22.641   6.577
  650   2HD   LYS  85          1HD       LYS  85   2.356 -21.127   7.232
  651   1HE   LYS  85          2HE       LYS  85   2.156 -22.128   9.282
  652   2HE   LYS  85          1HE       LYS  85   0.415 -21.929   9.108
  653   1HZ   LYS  85          1HZ       LYS  85   1.386 -24.257   9.520
  654   2HZ   LYS  85          2HZ       LYS  85   1.766 -24.225   7.865
  655   3HZ   LYS  85          3HZ       LYS  85   0.152 -24.072   8.372
  656    H    GLU  86           H        GLU  86   0.950 -19.032   4.795
  657    HA   GLU  86           HA       GLU  86   2.668 -16.831   5.262
  658   1HB   GLU  86          2HB       GLU  86   2.345 -18.978   3.349
  659   2HB   GLU  86          1HB       GLU  86   2.720 -17.491   2.473
  660   1HG   GLU  86          2HG       GLU  86   4.330 -18.375   4.880
  661   2HG   GLU  86          1HG       GLU  86   4.718 -18.904   3.247
  662    H    ALA  87           H        ALA  87  -0.142 -17.112   3.046
  663    HA   ALA  87           HA       ALA  87   0.164 -14.481   1.939
  664   1HB   ALA  87          1HB       ALA  87  -1.341 -16.191   0.943
  665   2HB   ALA  87          2HB       ALA  87  -2.180 -14.673   1.257
  666   3HB   ALA  87          3HB       ALA  87  -2.407 -16.043   2.342
  667    H    GLN  88           H        GLN  88  -1.651 -15.689   4.762
  668    HA   GLN  88           HA       GLN  88  -2.753 -13.106   5.451
  669   1HB   GLN  88          2HB       GLN  88  -2.364 -15.729   6.888
  670   2HB   GLN  88          1HB       GLN  88  -2.713 -14.296   7.857
  671   1HG   GLN  88          2HG       GLN  88  -4.739 -13.865   6.570
  672   2HG   GLN  88          1HG       GLN  88  -4.382 -15.218   5.502
  673   1HE2  GLN  88          1HE2      GLN  88  -5.186 -14.446   8.904
  674   2HE2  GLN  88          2HE2      GLN  88  -5.813 -15.983   9.260
  675    H    ALA  89           H        ALA  89   0.212 -14.855   6.332
  676    HA   ALA  89           HA       ALA  89   1.213 -12.874   8.149
  677   1HB   ALA  89          1HB       ALA  89   3.045 -14.518   6.407
  678   2HB   ALA  89          2HB       ALA  89   2.063 -15.316   7.633
  679   3HB   ALA  89          3HB       ALA  89   3.224 -14.079   8.108
  680    H    ALA  90           H        ALA  90   1.344 -13.270   4.639
  681    HA   ALA  90           HA       ALA  90   3.151 -11.079   4.143
  682   1HB   ALA  90          1HB       ALA  90   0.980 -12.317   2.417
  683   2HB   ALA  90          2HB       ALA  90   2.704 -12.672   2.356
  684   3HB   ALA  90          3HB       ALA  90   2.111 -11.092   1.843
  685    H    ALA  91           H        ALA  91  -0.271 -11.378   4.805
  686    HA   ALA  91           HA       ALA  91  -1.037  -8.738   4.010
  687   1HB   ALA  91          1HB       ALA  91  -2.489 -10.792   4.765
  688   2HB   ALA  91          2HB       ALA  91  -3.051  -9.165   5.133
  689   3HB   ALA  91          3HB       ALA  91  -2.267 -10.130   6.385
  690    H    GLU  92           H        GLU  92   0.336 -10.057   7.016
  691    HA   GLU  92           HA       GLU  92   0.136  -7.578   8.454
  692   1HB   GLU  92          2HB       GLU  92   1.531 -10.189   8.857
  693   2HB   GLU  92          1HB       GLU  92   2.085  -8.816   9.818
  694   1HG   GLU  92          2HG       GLU  92   0.074  -8.624  10.975
  695   2HG   GLU  92          1HG       GLU  92  -0.876  -9.319   9.662
  696    H    GLN  93           H        GLN  93   2.302  -8.606   5.983
  697    HA   GLN  93           HA       GLN  93   4.493  -6.874   6.846
  698   1HB   GLN  93          2HB       GLN  93   5.649  -7.706   5.005
  699   2HB   GLN  93          1HB       GLN  93   4.527  -9.019   5.304
  700   1HG   GLN  93          2HG       GLN  93   4.081  -8.821   3.059
  701   2HG   GLN  93          1HG       GLN  93   3.046  -7.502   3.551
  702   1HE2  GLN  93          1HE2      GLN  93   4.902  -5.537   4.180
  703   2HE2  GLN  93          2HE2      GLN  93   5.742  -5.089   2.766
  704    H    LEU  94           H        LEU  94   1.632  -6.691   4.912
  705    HA   LEU  94           HA       LEU  94   2.170  -4.174   3.626
  706   1HB   LEU  94          2HB       LEU  94   0.434  -5.616   2.765
  707   2HB   LEU  94          1HB       LEU  94  -0.384  -5.644   4.312
  708    HG   LEU  94           HG       LEU  94  -0.940  -3.276   4.120
  709   1HD1  LEU  94          1HD1      LEU  94  -0.410  -2.233   1.780
  710   2HD1  LEU  94          2HD1      LEU  94   0.851  -3.464   1.700
  711   3HD1  LEU  94          3HD1      LEU  94   0.863  -2.270   2.999
  712   1HD2  LEU  94          1HD2      LEU  94  -2.578  -4.676   3.132
  713   2HD2  LEU  94          2HD2      LEU  94  -1.568  -5.017   1.731
  714   3HD2  LEU  94          3HD2      LEU  94  -2.285  -3.417   1.938
  715    H    LYS  95           H        LYS  95   0.526  -5.121   6.619
  716    HA   LYS  95           HA       LYS  95  -0.453  -2.608   7.449
  717   1HB   LYS  95          2HB       LYS  95   0.638  -4.923   9.070
  718   2HB   LYS  95          1HB       LYS  95  -0.195  -3.546   9.790
  719   1HG   LYS  95          2HG       LYS  95  -2.235  -4.046   8.659
  720   2HG   LYS  95          1HG       LYS  95  -1.433  -5.171   7.564
  721   1HD   LYS  95          2HD       LYS  95  -2.176  -6.811   8.985
  722   2HD   LYS  95          1HD       LYS  95  -0.868  -6.312  10.044
  723   1HE   LYS  95          2HE       LYS  95  -2.691  -4.520  10.850
  724   2HE   LYS  95          1HE       LYS  95  -3.795  -5.778  10.275
  725   1HZ   LYS  95          1HZ       LYS  95  -3.270  -6.172  12.561
  726   2HZ   LYS  95          2HZ       LYS  95  -1.601  -6.089  12.250
  727   3HZ   LYS  95          3HZ       LYS  95  -2.521  -7.375  11.627
  728    H    THR  96           H        THR  96   2.479  -4.119   8.801
  729    HA   THR  96           HA       THR  96   3.457  -1.614   9.761
  730    HB   THR  96           HB       THR  96   5.423  -3.806   9.302
  731    HG1  THR  96           1HG      THR  96   3.849  -4.400  11.393
  732   1HG2  THR  96          1HG2      THR  96   5.879  -3.368  11.706
  733   2HG2  THR  96          2HG2      THR  96   4.533  -2.224  11.739
  734   3HG2  THR  96          3HG2      THR  96   5.952  -1.884  10.749
  735    H    THR  97           H        THR  97   3.585  -3.011   6.579
  736    HA   THR  97           HA       THR  97   6.045  -1.989   5.647
  737    HB   THR  97           HB       THR  97   3.393  -2.355   4.280
  738    HG1  THR  97           1HG      THR  97   4.438  -4.005   3.408
  739   1HG2  THR  97          1HG2      THR  97   4.135  -0.429   3.111
  740   2HG2  THR  97          2HG2      THR  97   4.673  -1.790   2.128
  741   3HG2  THR  97          3HG2      THR  97   5.820  -0.951   3.173
  742    H    ILE  98           H        ILE  98   2.867  -0.296   5.552
  743    HA   ILE  98           HA       ILE  98   3.927   2.269   4.912
  744    HB   ILE  98           HB       ILE  98   1.428   1.325   6.330
  745   1HG1  ILE  98          2HG1      ILE  98   0.570   2.577   4.081
  746   2HG1  ILE  98          1HG1      ILE  98   2.183   2.124   3.541
  747   1HG2  ILE  98          1HG2      ILE  98   0.831   3.935   5.647
  748   2HG2  ILE  98          2HG2      ILE  98   2.470   4.083   6.249
  749   3HG2  ILE  98          3HG2      ILE  98   1.231   3.389   7.270
  750   1HD1  ILE  98          1HD1      ILE  98   0.047   0.254   4.606
  751   2HD1  ILE  98          2HD1      ILE  98   1.696  -0.239   4.230
  752   3HD1  ILE  98          3HD1      ILE  98   0.640   0.349   2.948
  753    H    ARG  99           H        ARG  99   3.179   0.839   8.105
  754    HA   ARG  99           HA       ARG  99   4.068   3.088   9.600
  755   1HB   ARG  99          2HB       ARG  99   2.935   0.626  10.138
  756   2HB   ARG  99          1HB       ARG  99   4.537   0.428  10.832
  757   1HG   ARG  99          2HG       ARG  99   4.101   2.755  11.922
  758   2HG   ARG  99          1HG       ARG  99   2.417   2.458  11.508
  759   1HD   ARG  99          2HD       ARG  99   2.956   1.711  13.821
  760   2HD   ARG  99          1HD       ARG  99   2.398   0.393  12.795
  761    HE   ARG  99           HE       ARG  99   5.182   0.355  12.566
  762   1HH1  ARG  99          1HH2      ARG  99   2.807   0.177  15.061
  763   2HH1  ARG  99          2HH2      ARG  99   3.764  -0.844  16.083
  764   1HH2  ARG  99          1HH1      ARG  99   6.425  -1.014  13.875
  765   2HH2  ARG  99          2HH1      ARG  99   5.799  -1.530  15.406
  766    H    ALA 100           H        ALA 100   5.890   0.139   8.665
  767    HA   ALA 100           HA       ALA 100   8.360   0.938   9.886
  768   1HB   ALA 100          1HB       ALA 100   8.117  -0.819   7.440
  769   2HB   ALA 100          2HB       ALA 100   7.706  -1.387   9.060
  770   3HB   ALA 100          3HB       ALA 100   9.354  -0.872   8.695
  771    H    TYR 101           H        TYR 101   6.978   1.601   6.737
  772    HA   TYR 101           HA       TYR 101   9.351   2.678   5.506
  773   1HB   TYR 101          2HB       TYR 101   6.387   2.771   4.983
  774   2HB   TYR 101          1HB       TYR 101   7.394   3.952   4.155
  775    HD1  TYR 101           1HD      TYR 101   8.544   0.540   5.031
  776    HD2  TYR 101           2HD      TYR 101   7.000   3.083   1.916
  777    HE1  TYR 101           1HE      TYR 101   9.109  -1.179   3.342
  778    HE2  TYR 101           2HE      TYR 101   7.580   1.351   0.222
  779    HH   TYR 101           HH       TYR 101   9.073  -1.737   1.218
  780    H    ASN 102           H        ASN 102   7.610   3.590   8.131
  781    HA   ASN 102           HA       ASN 102   7.881   5.509   9.517
  782   1HB   ASN 102          2HB       ASN 102   9.860   6.317   8.091
  783   2HB   ASN 102          1HB       ASN 102   8.672   7.103   7.046
  784   1HD2  ASN 102          1HD2      ASN 102   7.171   8.691   8.108
  785   2HD2  ASN 102          2HD2      ASN 102   7.729   9.558   9.460
  786    H    GLN 103           H        GLN 103   5.574   4.747   9.138
  787    HA   GLN 103           HA       GLN 103   3.394   5.044   8.442
  788   1HB   GLN 103          2HB       GLN 103   4.497   7.630   9.385
  789   2HB   GLN 103          1HB       GLN 103   2.961   7.731   8.520
  790   1HG   GLN 103          2HG       GLN 103   3.443   5.800  10.815
  791   2HG   GLN 103          1HG       GLN 103   2.773   7.422  11.052
  792   1HE2  GLN 103          1HE2      GLN 103   1.885   5.964   8.036
  793   2HE2  GLN 103          2HE2      GLN 103   0.340   5.471   8.484
  794    H    LYS 104           H        LYS 104   4.743   4.441   6.416
  795    HA   LYS 104           HA       LYS 104   4.956   4.400   4.159
  796   1HB   LYS 104          2HB       LYS 104   2.648   4.511   4.023
  797   2HB   LYS 104          1HB       LYS 104   2.582   6.149   4.607
  798   1HG   LYS 104          2HG       LYS 104   2.101   5.845   2.149
  799   2HG   LYS 104          1HG       LYS 104   3.379   7.010   2.484
  800   1HD   LYS 104          2HD       LYS 104   5.100   5.408   1.897
  801   2HD   LYS 104          1HD       LYS 104   3.958   4.066   1.955
  802   1HE   LYS 104          2HE       LYS 104   3.684   4.324  -0.295
  803   2HE   LYS 104          1HE       LYS 104   2.938   5.894   0.006
  804   1HZ   LYS 104          1HZ       LYS 104   5.129   5.623  -1.414
  805   2HZ   LYS 104          2HZ       LYS 104   5.848   5.756   0.120
  806   3HZ   LYS 104          3HZ       LYS 104   4.838   6.995  -0.458
  807    H    TYR 105           H        TYR 105   4.100   7.853   4.129
  808    HA   TYR 105           HA       TYR 105   6.990   8.510   3.888
  809   1HB   TYR 105          2HB       TYR 105   5.218   8.282   1.628
  810   2HB   TYR 105          1HB       TYR 105   5.607   9.987   1.827
  811    HD1  TYR 105           1HD      TYR 105   7.246   6.614   1.735
  812    HD2  TYR 105           2HD      TYR 105   7.626  10.826   0.987
  813    HE1  TYR 105           1HE      TYR 105   9.484   6.238   0.739
  814    HE2  TYR 105           2HE      TYR 105   9.859  10.450  -0.012
  815    HH   TYR 105           HH       TYR 105  10.986   7.422  -0.916
  816    H    GLY 106           H        GLY 106   4.500   9.073   5.641
  817   1HA   GLY 106          2HA       GLY 106   5.207  11.869   6.138
  818   2HA   GLY 106          1HA       GLY 106   3.560  11.641   5.565
  Start of MODEL   15
    1    HA   ALA   1           HA       ALA   1 -17.096   8.011   2.237
    2   1HB   ALA   1          1HB       ALA   1 -18.898   7.752   0.555
    3   2HB   ALA   1          2HB       ALA   1 -17.299   7.527  -0.155
    4   3HB   ALA   1          3HB       ALA   1 -18.168   9.041  -0.400
    5    H    ASP   2           H        ASP   2 -15.851  10.258   3.002
    6    HA   ASP   2           HA       ASP   2 -14.307  11.476   0.849
    7   1HB   ASP   2          2HB       ASP   2 -14.915  12.520   3.139
    8   2HB   ASP   2          1HB       ASP   2 -13.580  11.568   3.782
    9    H    LEU   3           H        LEU   3 -11.739  11.467   2.172
   10    HA   LEU   3           HA       LEU   3 -10.460   9.300   0.964
   11   1HB   LEU   3          2HB       LEU   3  -9.709  11.458   2.612
   12   2HB   LEU   3          1HB       LEU   3  -9.153  10.050   3.501
   13    HG   LEU   3           HG       LEU   3  -7.333  10.692   2.130
   14   1HD1  LEU   3          1HD1      LEU   3  -6.852   8.725   1.071
   15   2HD1  LEU   3          2HD1      LEU   3  -8.392   8.653   0.224
   16   3HD1  LEU   3          3HD1      LEU   3  -8.295   8.190   1.923
   17   1HD2  LEU   3          1HD2      LEU   3  -7.759  10.885  -0.449
   18   2HD2  LEU   3          2HD2      LEU   3  -8.182  12.238   0.598
   19   3HD2  LEU   3          3HD2      LEU   3  -9.437  11.146   0.023
   20    H    GLU   4           H        GLU   4 -12.275   9.376   3.914
   21    HA   GLU   4           HA       GLU   4 -11.233   7.078   5.221
   22   1HB   GLU   4          2HB       GLU   4 -13.230   7.098   6.520
   23   2HB   GLU   4          1HB       GLU   4 -12.931   8.784   6.103
   24   1HG   GLU   4          2HG       GLU   4 -14.467   8.269   4.026
   25   2HG   GLU   4          1HG       GLU   4 -15.006   6.898   4.996
   26    H    ASP   5           H        ASP   5 -13.261   7.352   2.389
   27    HA   ASP   5           HA       ASP   5 -14.246   4.616   2.572
   28   1HB   ASP   5          2HB       ASP   5 -15.571   6.262   1.370
   29   2HB   ASP   5          1HB       ASP   5 -14.230   6.595   0.279
   30    H    ASN   6           H        ASN   6 -11.633   6.198   0.640
   31    HA   ASN   6           HA       ASN   6 -10.902   3.916  -0.854
   32   1HB   ASN   6          2HB       ASN   6  -9.552   5.673  -1.527
   33   2HB   ASN   6          1HB       ASN   6  -9.535   6.392   0.079
   34   1HD2  ASN   6          1HD2      ASN   6  -8.103   5.208   1.708
   35   2HD2  ASN   6          2HD2      ASN   6  -6.671   4.517   1.140
   36    H    TRP   7           H        TRP   7 -10.257   4.869   2.451
   37    HA   TRP   7           HA       TRP   7  -8.524   2.739   3.232
   38   1HB   TRP   7          2HB       TRP   7 -10.304   4.730   4.553
   39   2HB   TRP   7          1HB       TRP   7  -9.990   3.298   5.513
   40    HD1  TRP   7           HD       TRP   7  -7.917   5.719   3.347
   41    HE1  TRP   7           1HE      TRP   7  -5.725   6.257   4.575
   42    HE3  TRP   7           3HE      TRP   7  -8.525   2.856   7.527
   43    HZ2  TRP   7           2HZ      TRP   7  -4.403   5.587   7.014
   44    HZ3  TRP   7           3HZ      TRP   7  -6.778   2.824   9.288
   45    HH2  TRP   7           HH       TRP   7  -4.713   4.181   9.034
   46    H    GLU   8           H        GLU   8 -12.042   3.022   2.947
   47    HA   GLU   8           HA       GLU   8 -12.792   0.634   4.280
   48   1HB   GLU   8          2HB       GLU   8 -14.354   2.435   3.432
   49   2HB   GLU   8          1HB       GLU   8 -14.149   1.740   1.828
   50   1HG   GLU   8          2HG       GLU   8 -14.940  -0.450   2.689
   51   2HG   GLU   8          1HG       GLU   8 -15.208   0.291   4.267
   52    H    THR   9           H        THR   9 -12.077   1.169   0.813
   53    HA   THR   9           HA       THR   9 -12.380  -1.508  -0.051
   54    HB   THR   9           HB       THR   9 -10.126   0.289  -1.009
   55    HG1  THR   9           1HG      THR   9 -11.670   1.698  -1.283
   56   1HG2  THR   9          1HG2      THR   9 -10.396  -2.034  -1.927
   57   2HG2  THR   9          2HG2      THR   9 -10.585  -0.772  -3.146
   58   3HG2  THR   9          3HG2      THR   9 -12.005  -1.581  -2.486
   59    H    LEU  10           H        LEU  10  -9.492   0.170   1.122
   60    HA   LEU  10           HA       LEU  10  -7.766  -2.089   1.243
   61   1HB   LEU  10          2HB       LEU  10  -7.890   0.650   2.421
   62   2HB   LEU  10          1HB       LEU  10  -6.732  -0.479   3.120
   63    HG   LEU  10           HG       LEU  10  -6.826  -0.232   0.119
   64   1HD1  LEU  10          1HD1      LEU  10  -5.482   1.764   1.954
   65   2HD1  LEU  10          2HD1      LEU  10  -6.834   2.097   0.874
   66   3HD1  LEU  10          3HD1      LEU  10  -5.260   1.669   0.208
   67   1HD2  LEU  10          1HD2      LEU  10  -5.356  -1.855   1.352
   68   2HD2  LEU  10          2HD2      LEU  10  -4.536  -0.479   2.088
   69   3HD2  LEU  10          3HD2      LEU  10  -4.460  -0.721   0.341
   70    H    ASN  11           H        ASN  11 -10.281  -0.922   3.389
   71    HA   ASN  11           HA       ASN  11  -9.420  -2.257   5.761
   72   1HB   ASN  11          2HB       ASN  11 -11.279  -0.516   5.500
   73   2HB   ASN  11          1HB       ASN  11 -12.303  -1.854   4.958
   74   1HD2  ASN  11          1HD2      ASN  11 -10.080  -3.149   7.123
   75   2HD2  ASN  11          2HD2      ASN  11 -10.987  -3.049   8.549
   76    H    ASP  12           H        ASP  12 -12.132  -3.205   3.673
   77    HA   ASP  12           HA       ASP  12 -12.463  -5.815   4.627
   78   1HB   ASP  12          2HB       ASP  12 -12.840  -4.685   1.864
   79   2HB   ASP  12          1HB       ASP  12 -13.371  -6.305   2.314
   80    H    ASN  13           H        ASN  13  -9.872  -4.517   2.724
   81    HA   ASN  13           HA       ASN  13  -9.198  -6.988   1.419
   82   1HB   ASN  13          2HB       ASN  13  -7.737  -4.429   1.942
   83   2HB   ASN  13          1HB       ASN  13  -6.776  -5.831   1.496
   84   1HD2  ASN  13          1HD2      ASN  13  -9.464  -3.751   0.373
   85   2HD2  ASN  13          2HD2      ASN  13  -9.290  -4.144  -1.270
   86    H    LEU  14           H        LEU  14  -7.699  -5.449   4.307
   87    HA   LEU  14           HA       LEU  14  -6.160  -7.700   5.101
   88   1HB   LEU  14          2HB       LEU  14  -7.456  -5.487   6.706
   89   2HB   LEU  14          1HB       LEU  14  -6.461  -6.729   7.458
   90    HG   LEU  14           HG       LEU  14  -5.188  -4.651   6.961
   91   1HD1  LEU  14          1HD1      LEU  14  -3.255  -5.736   6.276
   92   2HD1  LEU  14          2HD1      LEU  14  -4.091  -6.697   5.061
   93   3HD1  LEU  14          3HD1      LEU  14  -4.243  -7.106   6.774
   94   1HD2  LEU  14          1HD2      LEU  14  -5.517  -5.326   4.031
   95   2HD2  LEU  14          2HD2      LEU  14  -4.849  -3.861   4.755
   96   3HD2  LEU  14          3HD2      LEU  14  -6.566  -4.184   4.867
   97    H    LYS  15           H        LYS  15  -9.513  -6.849   5.655
   98    HA   LYS  15           HA       LYS  15 -10.240  -8.649   7.664
   99   1HB   LYS  15          2HB       LYS  15 -11.662  -6.878   6.547
  100   2HB   LYS  15          1HB       LYS  15 -11.890  -8.000   5.209
  101   1HG   LYS  15          2HG       LYS  15 -12.689  -9.665   7.051
  102   2HG   LYS  15          1HG       LYS  15 -12.861  -8.227   8.050
  103   1HD   LYS  15          2HD       LYS  15 -14.995  -8.473   7.050
  104   2HD   LYS  15          1HD       LYS  15 -14.207  -7.225   6.085
  105   1HE   LYS  15          2HE       LYS  15 -13.907  -8.645   4.252
  106   2HE   LYS  15          1HE       LYS  15 -13.958 -10.106   5.232
  107   1HZ   LYS  15          1HZ       LYS  15 -16.277  -9.883   5.524
  108   2HZ   LYS  15          2HZ       LYS  15 -15.979  -9.670   3.865
  109   3HZ   LYS  15          3HZ       LYS  15 -16.294  -8.325   4.854
  110    H    VAL  16           H        VAL  16 -10.324  -9.304   4.126
  111    HA   VAL  16           HA       VAL  16 -11.135 -12.011   4.504
  112    HB   VAL  16           HB       VAL  16 -10.138 -10.323   2.244
  113   1HG1  VAL  16          1HG1      VAL  16 -10.236 -12.366   0.749
  114   2HG1  VAL  16          2HG1      VAL  16 -10.198 -13.351   2.209
  115   3HG1  VAL  16          3HG1      VAL  16  -8.836 -12.307   1.817
  116   1HG2  VAL  16          1HG2      VAL  16 -12.532 -10.493   2.869
  117   2HG2  VAL  16          2HG2      VAL  16 -12.473 -12.227   2.559
  118   3HG2  VAL  16          3HG2      VAL  16 -12.233 -11.085   1.234
  119    H    ILE  17           H        ILE  17  -7.816 -10.739   3.717
  120    HA   ILE  17           HA       ILE  17  -6.569 -13.247   3.733
  121    HB   ILE  17           HB       ILE  17  -4.999 -11.158   5.178
  122   1HG1  ILE  17          2HG1      ILE  17  -6.266 -10.683   2.462
  123   2HG1  ILE  17          1HG1      ILE  17  -6.302  -9.633   3.870
  124   1HG2  ILE  17          1HG2      ILE  17  -4.188 -13.316   4.025
  125   2HG2  ILE  17          2HG2      ILE  17  -3.295 -11.835   3.679
  126   3HG2  ILE  17          3HG2      ILE  17  -4.460 -12.457   2.511
  127   1HD1  ILE  17          1HD1      ILE  17  -4.013 -10.185   2.001
  128   2HD1  ILE  17          2HD1      ILE  17  -3.714  -9.586   3.628
  129   3HD1  ILE  17          3HD1      ILE  17  -4.675  -8.632   2.503
  130    H    GLU  18           H        GLU  18  -7.109 -11.129   6.569
  131    HA   GLU  18           HA       GLU  18  -6.104 -12.956   8.494
  132   1HB   GLU  18          2HB       GLU  18  -8.377 -10.949   8.741
  133   2HB   GLU  18          1HB       GLU  18  -7.639 -11.790  10.101
  134   1HG   GLU  18          2HG       GLU  18  -5.394 -10.756   8.937
  135   2HG   GLU  18          1HG       GLU  18  -6.564  -9.532   8.455
  136    H    LYS  19           H        LYS  19  -8.965 -13.032   6.531
  137    HA   LYS  19           HA       LYS  19  -9.942 -15.448   8.021
  138   1HB   LYS  19          2HB       LYS  19 -11.555 -13.231   6.729
  139   2HB   LYS  19          1HB       LYS  19 -12.246 -14.714   7.388
  140   1HG   LYS  19          2HG       LYS  19 -11.837 -14.093   9.596
  141   2HG   LYS  19          1HG       LYS  19 -10.451 -13.094   9.172
  142   1HD   LYS  19          2HD       LYS  19 -12.558 -11.861   9.948
  143   2HD   LYS  19          1HD       LYS  19 -11.817 -11.288   8.455
  144   1HE   LYS  19          2HE       LYS  19 -13.553 -12.117   7.132
  145   2HE   LYS  19          1HE       LYS  19 -13.957 -13.397   8.276
  146   1HZ   LYS  19          1HZ       LYS  19 -14.588 -11.426   9.794
  147   2HZ   LYS  19          2HZ       LYS  19 -15.664 -11.916   8.574
  148   3HZ   LYS  19          3HZ       LYS  19 -14.682 -10.549   8.345
  149    H    ALA  20           H        ALA  20  -8.183 -15.247   5.608
  150    HA   ALA  20           HA       ALA  20  -9.684 -15.745   3.226
  151   1HB   ALA  20          1HB       ALA  20  -6.874 -16.439   4.068
  152   2HB   ALA  20          2HB       ALA  20  -7.407 -15.233   2.899
  153   3HB   ALA  20          3HB       ALA  20  -7.513 -16.944   2.503
  154    H    ASP  21           H        ASP  21  -8.881 -17.816   5.904
  155    HA   ASP  21           HA       ASP  21  -9.604 -19.987   6.404
  156   1HB   ASP  21          2HB       ASP  21 -11.124 -20.100   3.799
  157   2HB   ASP  21          1HB       ASP  21 -11.529 -20.821   5.357
  158    H    ASN  22           H        ASN  22  -8.462 -19.268   3.154
  159    HA   ASN  22           HA       ASN  22  -6.681 -21.618   3.292
  160   1HB   ASN  22          2HB       ASN  22  -8.399 -21.301   0.827
  161   2HB   ASN  22          1HB       ASN  22  -7.427 -22.688   1.321
  162   1HD2  ASN  22          1HD2      ASN  22 -10.483 -21.014   1.836
  163   2HD2  ASN  22          2HD2      ASN  22 -11.198 -22.224   2.790
  164    H    ALA  23           H        ALA  23  -4.901 -21.447   1.815
  165    HA   ALA  23           HA       ALA  23  -3.893 -18.868   1.324
  166   1HB   ALA  23          1HB       ALA  23  -2.593 -21.041   1.217
  167   2HB   ALA  23          2HB       ALA  23  -2.246 -19.922  -0.099
  168   3HB   ALA  23          3HB       ALA  23  -3.299 -21.308  -0.376
  169    H    ALA  24           H        ALA  24  -6.329 -20.604  -0.371
  170    HA   ALA  24           HA       ALA  24  -6.026 -19.416  -2.963
  171   1HB   ALA  24          1HB       ALA  24  -8.648 -20.277  -1.723
  172   2HB   ALA  24          2HB       ALA  24  -7.463 -21.433  -2.330
  173   3HB   ALA  24          3HB       ALA  24  -8.206 -20.274  -3.431
  174    H    GLN  25           H        GLN  25  -8.410 -18.588  -0.377
  175    HA   GLN  25           HA       GLN  25  -9.225 -16.183  -1.717
  176   1HB   GLN  25          2HB       GLN  25  -9.440 -17.026   1.175
  177   2HB   GLN  25          1HB       GLN  25 -10.152 -15.552   0.536
  178   1HG   GLN  25          2HG       GLN  25 -11.987 -16.759  -0.083
  179   2HG   GLN  25          1HG       GLN  25 -10.987 -17.618  -1.248
  180   1HE2  GLN  25          1HE2      GLN  25 -10.353 -19.789  -0.741
  181   2HE2  GLN  25          2HE2      GLN  25 -10.905 -20.607   0.639
  182    H    VAL  26           H        VAL  26  -6.347 -16.876  -0.027
  183    HA   VAL  26           HA       VAL  26  -5.892 -14.262   1.109
  184    HB   VAL  26           HB       VAL  26  -4.165 -16.643   0.427
  185   1HG1  VAL  26          1HG1      VAL  26  -2.703 -14.833  -0.130
  186   2HG1  VAL  26          2HG1      VAL  26  -2.236 -15.392   1.473
  187   3HG1  VAL  26          3HG1      VAL  26  -3.187 -13.923   1.293
  188   1HG2  VAL  26          1HG2      VAL  26  -3.639 -16.318   2.956
  189   2HG2  VAL  26          2HG2      VAL  26  -5.213 -16.954   2.503
  190   3HG2  VAL  26          3HG2      VAL  26  -5.050 -15.262   2.961
  191    H    LYS  27           H        LYS  27  -4.462 -15.839  -1.767
  192    HA   LYS  27           HA       LYS  27  -3.294 -13.479  -2.800
  193   1HB   LYS  27          2HB       LYS  27  -3.549 -14.772  -5.079
  194   2HB   LYS  27          1HB       LYS  27  -2.482 -15.407  -3.830
  195   1HG   LYS  27          2HG       LYS  27  -4.173 -16.957  -3.077
  196   2HG   LYS  27          1HG       LYS  27  -5.370 -16.249  -4.150
  197   1HD   LYS  27          2HD       LYS  27  -2.800 -17.404  -5.233
  198   2HD   LYS  27          1HD       LYS  27  -4.183 -18.438  -4.894
  199   1HE   LYS  27          2HE       LYS  27  -5.557 -16.829  -6.356
  200   2HE   LYS  27          1HE       LYS  27  -4.012 -16.157  -6.875
  201   1HZ   LYS  27          1HZ       LYS  27  -3.350 -18.461  -7.475
  202   2HZ   LYS  27          2HZ       LYS  27  -4.626 -17.835  -8.408
  203   3HZ   LYS  27          3HZ       LYS  27  -4.944 -18.954  -7.170
  204    H    ASP  28           H        ASP  28  -6.602 -14.627  -3.002
  205    HA   ASP  28           HA       ASP  28  -7.472 -12.982  -5.182
  206   1HB   ASP  28          2HB       ASP  28  -8.632 -14.846  -3.520
  207   2HB   ASP  28          1HB       ASP  28  -9.384 -13.379  -2.935
  208    H    ALA  29           H        ALA  29  -7.854 -12.409  -1.683
  209    HA   ALA  29           HA       ALA  29  -8.742  -9.759  -1.834
  210   1HB   ALA  29          1HB       ALA  29  -8.819 -10.540   0.330
  211   2HB   ALA  29          2HB       ALA  29  -7.339  -9.596   0.448
  212   3HB   ALA  29          3HB       ALA  29  -7.257 -11.343   0.213
  213    H    LEU  30           H        LEU  30  -5.337 -10.889  -1.824
  214    HA   LEU  30           HA       LEU  30  -4.210  -8.283  -1.766
  215   1HB   LEU  30          2HB       LEU  30  -3.173 -10.919  -2.807
  216   2HB   LEU  30          1HB       LEU  30  -2.191  -9.445  -2.895
  217    HG   LEU  30           HG       LEU  30  -3.486 -10.186  -0.266
  218   1HD1  LEU  30          1HD1      LEU  30  -1.588 -11.557   0.365
  219   2HD1  LEU  30          2HD1      LEU  30  -0.838 -11.303  -1.207
  220   3HD1  LEU  30          3HD1      LEU  30  -2.322 -12.242  -1.083
  221   1HD2  LEU  30          1HD2      LEU  30  -0.745  -9.024  -0.791
  222   2HD2  LEU  30          2HD2      LEU  30  -1.723  -8.898   0.667
  223   3HD2  LEU  30          3HD2      LEU  30  -2.180  -8.005  -0.780
  224    H    THR  31           H        THR  31  -5.393 -10.215  -4.489
  225    HA   THR  31           HA       THR  31  -4.368  -8.510  -6.544
  226    HB   THR  31           HB       THR  31  -6.719 -10.408  -6.385
  227    HG1  THR  31           1HG      THR  31  -4.733 -11.380  -6.485
  228   1HG2  THR  31          1HG2      THR  31  -6.740 -10.146  -8.924
  229   2HG2  THR  31          2HG2      THR  31  -5.812  -8.668  -8.675
  230   3HG2  THR  31          3HG2      THR  31  -7.433  -8.814  -8.001
  231    H    LYS  32           H        LYS  32  -7.114  -8.313  -4.381
  232    HA   LYS  32           HA       LYS  32  -8.427  -6.157  -5.838
  233   1HB   LYS  32          2HB       LYS  32  -8.858  -6.549  -2.881
  234   2HB   LYS  32          1HB       LYS  32 -10.026  -6.124  -4.128
  235   1HG   LYS  32          2HG       LYS  32  -8.721  -8.838  -3.911
  236   2HG   LYS  32          1HG       LYS  32 -10.268  -8.465  -3.194
  237   1HD   LYS  32          2HD       LYS  32 -11.368  -8.538  -5.207
  238   2HD   LYS  32          1HD       LYS  32 -10.056  -7.756  -6.074
  239   1HE   LYS  32          2HE       LYS  32  -8.961  -9.767  -6.513
  240   2HE   LYS  32          1HE       LYS  32  -9.653 -10.589  -5.114
  241   1HZ   LYS  32          1HZ       LYS  32 -10.788 -10.143  -7.768
  242   2HZ   LYS  32          2HZ       LYS  32 -11.859 -10.088  -6.450
  243   3HZ   LYS  32          3HZ       LYS  32 -10.930 -11.482  -6.736
  244    H    MET  33           H        MET  33  -6.132  -6.461  -3.171
  245    HA   MET  33           HA       MET  33  -5.992  -3.704  -2.458
  246   1HB   MET  33          2HB       MET  33  -4.124  -6.046  -2.311
  247   2HB   MET  33          1HB       MET  33  -3.450  -4.447  -2.016
  248   1HG   MET  33          2HG       MET  33  -5.595  -4.292  -0.367
  249   2HG   MET  33          1HG       MET  33  -5.359  -6.036  -0.343
  250   1HE   MET  33          1HE       MET  33  -4.586  -6.340   2.150
  251   2HE   MET  33          2HE       MET  33  -2.837  -6.539   2.204
  252   3HE   MET  33          3HE       MET  33  -3.755  -7.235   0.871
  253    H    ARG  34           H        ARG  34  -4.331  -5.593  -4.995
  254    HA   ARG  34           HA       ARG  34  -2.580  -3.651  -5.995
  255   1HB   ARG  34          2HB       ARG  34  -3.987  -5.990  -7.023
  256   2HB   ARG  34          1HB       ARG  34  -3.807  -4.797  -8.294
  257   1HG   ARG  34          2HG       ARG  34  -1.853  -6.101  -8.477
  258   2HG   ARG  34          1HG       ARG  34  -1.306  -4.708  -7.552
  259   1HD   ARG  34          2HD       ARG  34  -2.209  -7.336  -6.335
  260   2HD   ARG  34          1HD       ARG  34  -0.531  -6.881  -6.599
  261    HE   ARG  34           HE       ARG  34  -2.205  -5.954  -4.433
  262   1HH1  ARG  34          1HH2      ARG  34   0.288  -5.067  -6.645
  263   2HH1  ARG  34          2HH2      ARG  34   1.015  -3.922  -5.569
  264   1HH2  ARG  34          1HH1      ARG  34  -1.268  -4.468  -3.020
  265   2HH2  ARG  34          2HH1      ARG  34   0.137  -3.586  -3.516
  266    H    ALA  35           H        ALA  35  -6.033  -4.051  -6.676
  267    HA   ALA  35           HA       ALA  35  -6.227  -1.733  -8.383
  268   1HB   ALA  35          1HB       ALA  35  -8.497  -2.840  -6.731
  269   2HB   ALA  35          2HB       ALA  35  -7.855  -3.721  -8.119
  270   3HB   ALA  35          3HB       ALA  35  -8.558  -2.116  -8.340
  271    H    ALA  36           H        ALA  36  -7.131  -2.257  -4.964
  272    HA   ALA  36           HA       ALA  36  -7.772   0.495  -4.435
  273   1HB   ALA  36          1HB       ALA  36  -8.388  -1.583  -3.056
  274   2HB   ALA  36          2HB       ALA  36  -7.896  -0.150  -2.153
  275   3HB   ALA  36          3HB       ALA  36  -6.761  -1.480  -2.384
  276    H    ALA  37           H        ALA  37  -4.767  -1.231  -4.701
  277    HA   ALA  37           HA       ALA  37  -3.150   0.424  -3.007
  278   1HB   ALA  37          1HB       ALA  37  -2.563  -1.411  -5.320
  279   2HB   ALA  37          2HB       ALA  37  -2.192  -1.638  -3.615
  280   3HB   ALA  37          3HB       ALA  37  -1.280  -0.471  -4.569
  281    H    LEU  38           H        LEU  38  -2.898   0.341  -6.563
  282    HA   LEU  38           HA       LEU  38  -1.684   2.921  -6.681
  283   1HB   LEU  38          2HB       LEU  38  -3.256   1.615  -8.908
  284   2HB   LEU  38          1HB       LEU  38  -1.999   2.847  -9.057
  285    HG   LEU  38           HG       LEU  38  -1.264   0.281  -7.654
  286   1HD1  LEU  38          1HD1      LEU  38  -0.770  -0.830  -9.780
  287   2HD1  LEU  38          2HD1      LEU  38  -1.447   0.533 -10.671
  288   3HD1  LEU  38          3HD1      LEU  38  -2.494  -0.475  -9.672
  289   1HD2  LEU  38          1HD2      LEU  38   0.257   2.310  -8.005
  290   2HD2  LEU  38          2HD2      LEU  38   0.244   1.895  -9.719
  291   3HD2  LEU  38          3HD2      LEU  38   0.903   0.759  -8.544
  292    H    ASP  39           H        ASP  39  -5.047   1.925  -6.603
  293    HA   ASP  39           HA       ASP  39  -6.202   4.322  -7.656
  294   1HB   ASP  39          2HB       ASP  39  -7.557   2.298  -7.162
  295   2HB   ASP  39          1HB       ASP  39  -7.254   2.527  -5.440
  296    H    ALA  40           H        ALA  40  -5.007   3.375  -4.477
  297    HA   ALA  40           HA       ALA  40  -5.729   5.763  -3.086
  298   1HB   ALA  40          1HB       ALA  40  -4.130   5.093  -1.430
  299   2HB   ALA  40          2HB       ALA  40  -3.223   4.132  -2.598
  300   3HB   ALA  40          3HB       ALA  40  -4.821   3.603  -2.070
  301    H    GLN  41           H        GLN  41  -3.107   4.934  -5.312
  302    HA   GLN  41           HA       GLN  41  -1.258   7.000  -4.924
  303   1HB   GLN  41          2HB       GLN  41  -1.364   5.177  -6.839
  304   2HB   GLN  41          1HB       GLN  41  -2.263   6.404  -7.721
  305   1HG   GLN  41          2HG       GLN  41   0.550   6.719  -6.604
  306   2HG   GLN  41          1HG       GLN  41   0.096   6.567  -8.300
  307   1HE2  GLN  41          1HE2      GLN  41  -1.750   8.311  -8.905
  308   2HE2  GLN  41          2HE2      GLN  41  -1.415   9.887  -8.372
  309    H    LYS  42           H        LYS  42  -4.410   7.100  -6.466
  310    HA   LYS  42           HA       LYS  42  -4.198  10.028  -6.956
  311   1HB   LYS  42          2HB       LYS  42  -6.174   7.879  -7.706
  312   2HB   LYS  42          1HB       LYS  42  -6.615   9.580  -7.856
  313   1HG   LYS  42          2HG       LYS  42  -5.089   9.980  -9.561
  314   2HG   LYS  42          1HG       LYS  42  -3.979   8.724  -9.019
  315   1HD   LYS  42          2HD       LYS  42  -6.695   7.952 -10.079
  316   2HD   LYS  42          1HD       LYS  42  -5.397   8.341 -11.205
  317   1HE   LYS  42          2HE       LYS  42  -4.104   6.508 -10.561
  318   2HE   LYS  42          1HE       LYS  42  -4.843   6.411  -8.963
  319   1HZ   LYS  42          1HZ       LYS  42  -6.736   5.409  -9.808
  320   2HZ   LYS  42          2HZ       LYS  42  -5.493   4.679 -10.706
  321   3HZ   LYS  42          3HZ       LYS  42  -6.432   5.913 -11.398
  322    H    ALA  43           H        ALA  43  -4.783   8.355  -4.250
  323    HA   ALA  43           HA       ALA  43  -6.280  10.513  -3.010
  324   1HB   ALA  43          1HB       ALA  43  -8.167   9.276  -3.988
  325   2HB   ALA  43          2HB       ALA  43  -8.163   9.080  -2.236
  326   3HB   ALA  43          3HB       ALA  43  -7.576   7.777  -3.271
  327    H    THR  44           H        THR  44  -4.838  10.665  -1.319
  328    HA   THR  44           HA       THR  44  -4.287   8.189   0.257
  329    HB   THR  44           HB       THR  44  -1.962   9.027   0.468
  330    HG1  THR  44           1HG      THR  44  -2.912  11.261  -0.175
  331   1HG2  THR  44          1HG2      THR  44  -1.264   8.344  -1.681
  332   2HG2  THR  44          2HG2      THR  44  -2.694   9.011  -2.443
  333   3HG2  THR  44          3HG2      THR  44  -2.816   7.540  -1.474
  334    HA   PRO  45           HA       PRO  45  -5.559  10.285   3.946
  335   1HB   PRO  45          2HB       PRO  45  -2.709   9.847   4.881
  336   2HB   PRO  45          1HB       PRO  45  -4.233   9.646   5.770
  337   1HG   PRO  45          2HG       PRO  45  -3.024   7.544   4.738
  338   2HG   PRO  45          1HG       PRO  45  -4.783   7.701   4.655
  339   1HD   PRO  45          2HD       PRO  45  -2.768   8.016   2.468
  340   2HD   PRO  45          1HD       PRO  45  -4.455   7.456   2.380
  341    HA   PRO  46           HA       PRO  46  -2.868  14.123   3.580
  342   1HB   PRO  46          2HB       PRO  46  -0.308  13.925   2.576
  343   2HB   PRO  46          1HB       PRO  46  -0.718  13.535   4.258
  344   1HG   PRO  46          2HG       PRO  46   0.141  11.727   2.185
  345   2HG   PRO  46          1HG       PRO  46  -0.239  11.360   3.885
  346   1HD   PRO  46          2HD       PRO  46  -1.961  11.122   1.468
  347   2HD   PRO  46          1HD       PRO  46  -1.990  10.170   2.951
  348    H    LYS  47           H        LYS  47  -3.614  12.254   1.040
  349    HA   LYS  47           HA       LYS  47  -3.706  12.482  -1.269
  350   1HB   LYS  47          2HB       LYS  47  -4.640  15.229  -1.355
  351   2HB   LYS  47          1HB       LYS  47  -5.550  13.747  -1.584
  352   1HG   LYS  47          2HG       LYS  47  -6.631  14.648   0.252
  353   2HG   LYS  47          1HG       LYS  47  -5.474  13.589   1.035
  354   1HD   LYS  47          2HD       LYS  47  -4.618  15.384   2.171
  355   2HD   LYS  47          1HD       LYS  47  -4.151  16.139   0.649
  356   1HE   LYS  47          2HE       LYS  47  -6.788  16.424   2.115
  357   2HE   LYS  47          1HE       LYS  47  -5.591  17.679   1.795
  358   1HZ   LYS  47          1HZ       LYS  47  -7.100  18.042   0.129
  359   2HZ   LYS  47          2HZ       LYS  47  -7.483  16.397  -0.051
  360   3HZ   LYS  47          3HZ       LYS  47  -6.017  17.003  -0.659
  361    H    LEU  48           H        LEU  48  -1.947  12.610  -2.597
  362    HA   LEU  48           HA       LEU  48   0.169  14.486  -2.299
  363   1HB   LEU  48          2HB       LEU  48  -0.173  12.317  -3.903
  364   2HB   LEU  48          1HB       LEU  48  -0.555  13.558  -5.078
  365    HG   LEU  48           HG       LEU  48   1.828  12.791  -5.105
  366   1HD1  LEU  48          1HD1      LEU  48   2.657  14.819  -5.736
  367   2HD1  LEU  48          2HD1      LEU  48   2.041  15.661  -4.322
  368   3HD1  LEU  48          3HD1      LEU  48   0.955  15.248  -5.654
  369   1HD2  LEU  48          1HD2      LEU  48   3.311  13.059  -3.370
  370   2HD2  LEU  48          2HD2      LEU  48   1.843  12.705  -2.465
  371   3HD2  LEU  48          3HD2      LEU  48   2.408  14.370  -2.624
  372    H    GLU  49           H        GLU  49   0.514  16.227  -4.199
  373    HA   GLU  49           HA       GLU  49  -0.213  18.192  -5.178
  374   1HB   GLU  49          2HB       GLU  49  -3.030  17.098  -5.131
  375   2HB   GLU  49          1HB       GLU  49  -2.360  18.326  -6.192
  376   1HG   GLU  49          2HG       GLU  49  -0.923  16.700  -7.277
  377   2HG   GLU  49          1HG       GLU  49  -1.430  15.443  -6.152
  378    H    ASP  50           H        ASP  50  -3.041  17.339  -3.160
  379    HA   ASP  50           HA       ASP  50  -3.978  18.474  -1.335
  380   1HB   ASP  50          2HB       ASP  50  -1.579  18.043  -0.496
  381   2HB   ASP  50          1HB       ASP  50  -1.261  19.724  -0.907
  382    H    LYS  51           H        LYS  51  -2.419  20.107  -3.916
  383    HA   LYS  51           HA       LYS  51  -4.275  22.320  -3.813
  384   1HB   LYS  51          2HB       LYS  51  -2.491  24.093  -3.758
  385   2HB   LYS  51          1HB       LYS  51  -2.699  23.242  -2.232
  386   1HG   LYS  51          2HG       LYS  51  -0.742  21.757  -3.701
  387   2HG   LYS  51          1HG       LYS  51  -0.308  23.451  -3.885
  388   1HD   LYS  51          2HD       LYS  51  -0.416  23.731  -1.416
  389   2HD   LYS  51          1HD       LYS  51  -0.772  22.011  -1.254
  390   1HE   LYS  51          2HE       LYS  51   1.366  21.372  -2.014
  391   2HE   LYS  51          1HE       LYS  51   1.676  22.941  -2.758
  392   1HZ   LYS  51          1HZ       LYS  51   1.777  23.938  -0.575
  393   2HZ   LYS  51          2HZ       LYS  51   2.889  22.657  -0.677
  394   3HZ   LYS  51          3HZ       LYS  51   1.426  22.451   0.160
  395    H    SER  52           H        SER  52  -1.006  22.519  -5.241
  396    HA   SER  52           HA       SER  52  -1.692  21.294  -7.725
  397   1HB   SER  52          2HB       SER  52  -2.204  24.233  -7.421
  398   2HB   SER  52          1HB       SER  52  -1.687  23.607  -8.985
  399    HG   SER  52           HG       SER  52  -3.577  22.015  -7.970
  400    HA   PRO  53           HA       PRO  53   2.824  22.442  -6.914
  401   1HB   PRO  53          2HB       PRO  53   3.176  19.523  -7.458
  402   2HB   PRO  53          1HB       PRO  53   3.840  20.499  -6.143
  403   1HG   PRO  53          2HG       PRO  53   1.896  18.753  -5.713
  404   2HG   PRO  53          1HG       PRO  53   1.941  20.303  -4.853
  405   1HD   PRO  53          2HD       PRO  53   0.224  19.512  -7.199
  406   2HD   PRO  53          1HD       PRO  53  -0.207  20.461  -5.758
  407    H    ASP  54           H        ASP  54   2.298  19.663  -9.060
  408    HA   ASP  54           HA       ASP  54   2.912  21.341 -11.448
  409   1HB   ASP  54          2HB       ASP  54   4.206  18.648 -10.858
  410   2HB   ASP  54          1HB       ASP  54   4.516  19.690 -12.252
  411    H    SER  55           H        SER  55   2.136  18.049 -10.365
  412    HA   SER  55           HA       SER  55  -0.024  17.045 -10.740
  413   1HB   SER  55          2HB       SER  55  -1.322  17.336 -12.716
  414   2HB   SER  55          1HB       SER  55  -0.863  18.931 -12.146
  415    HG   SER  55           HG       SER  55  -0.256  19.100 -14.171
  416    HA   PRO  56           HA       PRO  56   2.082  14.226 -13.912
  417   1HB   PRO  56          2HB       PRO  56   4.727  15.264 -14.620
  418   2HB   PRO  56          1HB       PRO  56   3.366  14.906 -15.699
  419   1HG   PRO  56          2HG       PRO  56   4.277  17.428 -15.205
  420   2HG   PRO  56          1HG       PRO  56   2.599  17.061 -15.649
  421   1HD   PRO  56          2HD       PRO  56   3.755  17.585 -12.921
  422   2HD   PRO  56          1HD       PRO  56   2.253  18.173 -13.643
  423    H    GLU  57           H        GLU  57   4.460  16.063 -12.020
  424    HA   GLU  57           HA       GLU  57   6.174  13.974 -11.251
  425   1HB   GLU  57          2HB       GLU  57   6.325  16.532 -10.785
  426   2HB   GLU  57          1HB       GLU  57   5.380  16.177  -9.342
  427   1HG   GLU  57          2HG       GLU  57   7.067  14.713  -8.475
  428   2HG   GLU  57          1HG       GLU  57   7.949  14.707 -10.003
  429    H    MET  58           H        MET  58   2.886  14.283 -10.575
  430    HA   MET  58           HA       MET  58   2.769  13.226  -7.915
  431   1HB   MET  58          2HB       MET  58   0.781  14.213  -8.828
  432   2HB   MET  58          1HB       MET  58   0.816  13.148 -10.231
  433   1HG   MET  58          2HG       MET  58   0.195  11.249  -8.938
  434   2HG   MET  58          1HG       MET  58   0.571  12.064  -7.419
  435   1HE   MET  58          1HE       MET  58  -3.039  12.569 -10.162
  436   2HE   MET  58          2HE       MET  58  -2.264  11.036  -9.774
  437   3HE   MET  58          3HE       MET  58  -1.363  12.274 -10.646
  438    H    LYS  59           H        LYS  59   2.706  11.601 -11.126
  439    HA   LYS  59           HA       LYS  59   2.407   8.971 -10.149
  440   1HB   LYS  59          2HB       LYS  59   2.771  10.000 -12.643
  441   2HB   LYS  59          1HB       LYS  59   4.367   9.299 -12.377
  442   1HG   LYS  59          2HG       LYS  59   3.130   7.507 -13.307
  443   2HG   LYS  59          1HG       LYS  59   3.077   7.184 -11.572
  444   1HD   LYS  59          2HD       LYS  59   0.817   6.981 -12.050
  445   2HD   LYS  59          1HD       LYS  59   0.859   8.699 -11.717
  446   1HE   LYS  59          2HE       LYS  59  -0.350   8.270 -13.801
  447   2HE   LYS  59          1HE       LYS  59   1.133   9.176 -14.097
  448   1HZ   LYS  59          1HZ       LYS  59   2.148   7.389 -15.065
  449   2HZ   LYS  59          2HZ       LYS  59   0.541   7.092 -15.529
  450   3HZ   LYS  59          3HZ       LYS  59   1.221   6.248 -14.221
  451    H    ASP  60           H        ASP  60   5.231  11.094 -10.182
  452    HA   ASP  60           HA       ASP  60   7.244   9.200  -9.534
  453   1HB   ASP  60          2HB       ASP  60   7.423  11.799  -9.888
  454   2HB   ASP  60          1HB       ASP  60   7.099  11.895  -8.159
  455    H    PHE  61           H        PHE  61   4.827  10.857  -7.556
  456    HA   PHE  61           HA       PHE  61   5.570   9.843  -5.021
  457   1HB   PHE  61          2HB       PHE  61   3.733  11.560  -5.642
  458   2HB   PHE  61          1HB       PHE  61   2.707  10.174  -5.955
  459    HD1  PHE  61           1HD      PHE  61   1.137   9.957  -4.259
  460    HD2  PHE  61           2HD      PHE  61   5.189  10.952  -3.181
  461    HE1  PHE  61           1HE      PHE  61   0.527   9.894  -1.864
  462    HE2  PHE  61           2HE      PHE  61   4.570  10.857  -0.794
  463    HZ   PHE  61           HZ       PHE  61   2.238  10.341  -0.134
  464    H    ARG  62           H        ARG  62   3.913   8.382  -7.761
  465    HA   ARG  62           HA       ARG  62   2.987   5.983  -6.555
  466   1HB   ARG  62          2HB       ARG  62   2.786   6.800  -9.052
  467   2HB   ARG  62          1HB       ARG  62   4.311   5.939  -9.267
  468   1HG   ARG  62          2HG       ARG  62   3.142   3.933  -8.113
  469   2HG   ARG  62          1HG       ARG  62   1.643   4.825  -8.418
  470   1HD   ARG  62          2HD       ARG  62   1.813   3.496 -10.332
  471   2HD   ARG  62          1HD       ARG  62   2.527   5.012 -10.873
  472    HE   ARG  62           HE       ARG  62   4.655   3.495  -9.857
  473   1HH1  ARG  62          1HH2      ARG  62   2.201   3.239 -12.264
  474   2HH1  ARG  62          2HH2      ARG  62   3.156   2.257 -13.325
  475   1HH2  ARG  62          1HH1      ARG  62   5.918   2.213 -11.228
  476   2HH2  ARG  62          2HH1      ARG  62   5.259   1.675 -12.737
  477    H    HIS  63           H        HIS  63   6.173   7.015  -7.668
  478    HA   HIS  63           HA       HIS  63   7.583   4.598  -7.474
  479   1HB   HIS  63          2HB       HIS  63   8.465   6.930  -8.147
  480   2HB   HIS  63          1HB       HIS  63   8.698   7.208  -6.421
  481    HD1  HIS  63           1HD      HIS  63   9.372   4.096  -8.528
  482    HD2  HIS  63           2HD      HIS  63  11.389   6.723  -5.996
  483    HE1  HIS  63           1HE      HIS  63  11.724   3.191  -8.282
  484    H    GLY  64           H        GLY  64   6.667   6.875  -4.892
  485   1HA   GLY  64          2HA       GLY  64   7.969   5.388  -2.768
  486   2HA   GLY  64          1HA       GLY  64   6.695   6.588  -2.539
  487    H    PHE  65           H        PHE  65   4.644   5.438  -4.014
  488    HA   PHE  65           HA       PHE  65   3.580   3.420  -2.206
  489   1HB   PHE  65          2HB       PHE  65   2.774   4.862  -4.667
  490   2HB   PHE  65          1HB       PHE  65   2.022   3.294  -4.474
  491    HD1  PHE  65           1HD      PHE  65   2.495   6.637  -2.982
  492    HD2  PHE  65           2HD      PHE  65   0.401   2.915  -2.778
  493    HE1  PHE  65           1HE      PHE  65   0.871   7.648  -1.431
  494    HE2  PHE  65           2HE      PHE  65  -1.265   3.924  -1.235
  495    HZ   PHE  65           HZ       PHE  65  -1.042   6.304  -0.577
  496    H    ASP  66           H        ASP  66   5.012   3.458  -5.413
  497    HA   ASP  66           HA       ASP  66   4.503   0.906  -6.314
  498   1HB   ASP  66          2HB       ASP  66   5.838   2.703  -7.495
  499   2HB   ASP  66          1HB       ASP  66   7.227   2.217  -6.523
  500    H    ILE  67           H        ILE  67   6.989   1.958  -3.989
  501    HA   ILE  67           HA       ILE  67   8.188  -0.633  -3.645
  502    HB   ILE  67           HB       ILE  67   8.082   1.430  -1.438
  503   1HG1  ILE  67          2HG1      ILE  67   9.461   1.634  -4.119
  504   2HG1  ILE  67          1HG1      ILE  67   8.572   2.859  -3.224
  505   1HG2  ILE  67          1HG2      ILE  67  10.408  -0.234  -2.434
  506   2HG2  ILE  67          2HG2      ILE  67   9.241  -0.860  -1.268
  507   3HG2  ILE  67          3HG2      ILE  67  10.221   0.550  -0.866
  508   1HD1  ILE  67          1HD1      ILE  67  10.832   3.497  -2.960
  509   2HD1  ILE  67          2HD1      ILE  67  11.357   1.833  -2.702
  510   3HD1  ILE  67          3HD1      ILE  67  10.439   2.671  -1.451
  511    H    LEU  68           H        LEU  68   6.078   1.150  -1.338
  512    HA   LEU  68           HA       LEU  68   5.542  -1.115   0.259
  513   1HB   LEU  68          2HB       LEU  68   3.965   0.180   1.395
  514   2HB   LEU  68          1HB       LEU  68   5.019   1.392   0.686
  515    HG   LEU  68           HG       LEU  68   3.240   1.295  -1.307
  516   1HD1  LEU  68          1HD1      LEU  68   1.698   0.310   1.117
  517   2HD1  LEU  68          2HD1      LEU  68   1.742  -0.411  -0.487
  518   3HD1  LEU  68          3HD1      LEU  68   0.922   1.120  -0.238
  519   1HD2  LEU  68          1HD2      LEU  68   3.814   3.285   0.097
  520   2HD2  LEU  68          2HD2      LEU  68   2.687   2.719   1.326
  521   3HD2  LEU  68          3HD2      LEU  68   2.088   3.206  -0.259
  522    H    VAL  69           H        VAL  69   3.806   0.034  -2.630
  523    HA   VAL  69           HA       VAL  69   1.743  -1.944  -2.488
  524    HB   VAL  69           HB       VAL  69   2.860  -0.330  -4.791
  525   1HG1  VAL  69          1HG1      VAL  69   1.878  -2.248  -5.796
  526   2HG1  VAL  69          2HG1      VAL  69   0.653  -0.984  -5.879
  527   3HG1  VAL  69          3HG1      VAL  69   0.535  -2.247  -4.655
  528   1HG2  VAL  69          1HG2      VAL  69   1.753   1.036  -3.130
  529   2HG2  VAL  69          2HG2      VAL  69   0.413  -0.097  -3.014
  530   3HG2  VAL  69          3HG2      VAL  69   0.642   0.852  -4.484
  531    H    GLY  70           H        GLY  70   5.043  -2.039  -3.594
  532   1HA   GLY  70          2HA       GLY  70   4.772  -4.370  -5.288
  533   2HA   GLY  70          1HA       GLY  70   6.285  -3.723  -4.664
  534    H    GLN  71           H        GLN  71   5.864  -3.984  -1.887
  535    HA   GLN  71           HA       GLN  71   6.377  -6.808  -1.610
  536   1HB   GLN  71          2HB       GLN  71   6.337  -6.287   0.870
  537   2HB   GLN  71          1HB       GLN  71   7.495  -5.355  -0.082
  538   1HG   GLN  71          2HG       GLN  71   6.101  -3.422  -0.070
  539   2HG   GLN  71          1HG       GLN  71   4.714  -4.336   0.523
  540   1HE2  GLN  71          1HE2      GLN  71   7.316  -5.585   2.168
  541   2HE2  GLN  71          2HE2      GLN  71   7.268  -4.605   3.553
  542    H    ILE  72           H        ILE  72   3.475  -4.853  -1.216
  543    HA   ILE  72           HA       ILE  72   1.977  -6.726   0.350
  544    HB   ILE  72           HB       ILE  72   1.112  -4.745  -1.788
  545   1HG1  ILE  72          2HG1      ILE  72   0.737  -4.695   1.223
  546   2HG1  ILE  72          1HG1      ILE  72   2.081  -3.904   0.407
  547   1HG2  ILE  72          1HG2      ILE  72  -0.533  -6.541   0.011
  548   2HG2  ILE  72          2HG2      ILE  72  -0.609  -6.415  -1.747
  549   3HG2  ILE  72          3HG2      ILE  72  -1.190  -5.090  -0.742
  550   1HD1  ILE  72          1HD1      ILE  72  -0.846  -3.225   0.317
  551   2HD1  ILE  72          2HD1      ILE  72   0.182  -2.776  -1.033
  552   3HD1  ILE  72          3HD1      ILE  72   0.529  -2.158   0.577
  553    H    ASP  73           H        ASP  73   2.115  -6.248  -3.194
  554    HA   ASP  73           HA       ASP  73   0.660  -8.592  -3.935
  555   1HB   ASP  73          2HB       ASP  73   1.474  -6.670  -5.438
  556   2HB   ASP  73          1HB       ASP  73   3.025  -7.478  -5.480
  557    H    ASP  74           H        ASP  74   4.141  -8.083  -3.258
  558    HA   ASP  74           HA       ASP  74   4.915 -10.632  -4.132
  559   1HB   ASP  74          2HB       ASP  74   6.516  -8.856  -3.479
  560   2HB   ASP  74          1HB       ASP  74   6.086  -9.112  -1.783
  561    H    ALA  75           H        ALA  75   3.024  -9.696  -1.423
  562    HA   ALA  75           HA       ALA  75   3.443 -12.138   0.103
  563   1HB   ALA  75          1HB       ALA  75   1.598 -11.452   1.438
  564   2HB   ALA  75          2HB       ALA  75   0.951 -10.425   0.157
  565   3HB   ALA  75          3HB       ALA  75   2.425  -9.956   1.005
  566    H    LEU  76           H        LEU  76   1.390 -10.925  -2.441
  567    HA   LEU  76           HA       LEU  76  -0.493 -13.055  -2.697
  568   1HB   LEU  76          2HB       LEU  76  -0.372 -10.751  -3.898
  569   2HB   LEU  76          1HB       LEU  76   0.761 -11.515  -5.006
  570    HG   LEU  76           HG       LEU  76  -1.902 -12.837  -4.499
  571   1HD1  LEU  76          1HD1      LEU  76  -1.456 -10.573  -6.463
  572   2HD1  LEU  76          2HD1      LEU  76  -2.420 -10.454  -4.992
  573   3HD1  LEU  76          3HD1      LEU  76  -2.925 -11.528  -6.294
  574   1HD2  LEU  76          1HD2      LEU  76  -0.041 -12.636  -6.889
  575   2HD2  LEU  76          2HD2      LEU  76  -1.589 -13.477  -6.900
  576   3HD2  LEU  76          3HD2      LEU  76  -0.286 -14.052  -5.865
  577    H    LYS  77           H        LYS  77   2.754 -12.526  -3.881
  578    HA   LYS  77           HA       LYS  77   3.049 -14.830  -5.509
  579   1HB   LYS  77          2HB       LYS  77   4.471 -12.652  -5.171
  580   2HB   LYS  77          1HB       LYS  77   5.292 -13.584  -3.928
  581   1HG   LYS  77          2HG       LYS  77   5.829 -15.318  -5.604
  582   2HG   LYS  77          1HG       LYS  77   4.994 -14.368  -6.832
  583   1HD   LYS  77          2HD       LYS  77   7.135 -13.549  -7.204
  584   2HD   LYS  77          1HD       LYS  77   6.675 -12.434  -5.910
  585   1HE   LYS  77          2HE       LYS  77   8.763 -13.253  -5.200
  586   2HE   LYS  77          1HE       LYS  77   7.624 -14.269  -4.316
  587   1HZ   LYS  77          1HZ       LYS  77   9.551 -15.374  -5.582
  588   2HZ   LYS  77          2HZ       LYS  77   8.612 -15.093  -6.969
  589   3HZ   LYS  77          3HZ       LYS  77   8.004 -16.055  -5.707
  590    H    LEU  78           H        LEU  78   3.835 -14.210  -2.141
  591    HA   LEU  78           HA       LEU  78   4.971 -16.723  -1.504
  592   1HB   LEU  78          2HB       LEU  78   3.932 -14.313  -0.202
  593   2HB   LEU  78          1HB       LEU  78   3.823 -15.708   0.801
  594    HG   LEU  78           HG       LEU  78   6.305 -16.133   0.239
  595   1HD1  LEU  78          1HD1      LEU  78   6.085 -13.227  -0.594
  596   2HD1  LEU  78          2HD1      LEU  78   6.305 -14.572  -1.713
  597   3HD1  LEU  78          3HD1      LEU  78   7.559 -14.192  -0.532
  598   1HD2  LEU  78          1HD2      LEU  78   7.048 -14.444   1.903
  599   2HD2  LEU  78          2HD2      LEU  78   5.598 -15.307   2.415
  600   3HD2  LEU  78          3HD2      LEU  78   5.470 -13.667   1.780
  601    H    ALA  79           H        ALA  79   1.687 -15.498  -0.765
  602    HA   ALA  79           HA       ALA  79   0.549 -17.798   0.276
  603   1HB   ALA  79          1HB       ALA  79  -0.970 -16.144  -1.733
  604   2HB   ALA  79          2HB       ALA  79  -0.484 -15.464  -0.180
  605   3HB   ALA  79          3HB       ALA  79  -1.547 -16.871  -0.231
  606    H    ASN  80           H        ASN  80   1.110 -17.061  -3.169
  607    HA   ASN  80           HA       ASN  80  -0.282 -19.335  -4.232
  608   1HB   ASN  80          2HB       ASN  80   2.292 -18.187  -5.355
  609   2HB   ASN  80          1HB       ASN  80   1.004 -19.004  -6.238
  610   1HD2  ASN  80          1HD2      ASN  80  -0.858 -17.236  -4.262
  611   2HD2  ASN  80          2HD2      ASN  80  -0.941 -15.778  -5.115
  612    H    GLU  81           H        GLU  81   2.774 -18.916  -2.621
  613    HA   GLU  81           HA       GLU  81   3.655 -21.675  -3.228
  614   1HB   GLU  81          2HB       GLU  81   5.220 -19.644  -2.920
  615   2HB   GLU  81          1HB       GLU  81   4.872 -19.786  -1.197
  616   1HG   GLU  81          2HG       GLU  81   5.756 -22.041  -1.138
  617   2HG   GLU  81          1HG       GLU  81   5.931 -22.067  -2.893
  618    H    GLY  82           H        GLY  82   1.329 -20.401  -1.345
  619   1HA   GLY  82          2HA       GLY  82   0.017 -21.567   0.255
  620   2HA   GLY  82          1HA       GLY  82   1.329 -22.720   0.465
  621    H    LYS  83           H        LYS  83   1.583 -19.162   0.784
  622    HA   LYS  83           HA       LYS  83   2.599 -19.594   3.552
  623   1HB   LYS  83          2HB       LYS  83   2.508 -17.074   1.881
  624   2HB   LYS  83          1HB       LYS  83   3.339 -17.254   3.420
  625   1HG   LYS  83          2HG       LYS  83   4.009 -18.680   0.843
  626   2HG   LYS  83          1HG       LYS  83   4.940 -17.416   1.571
  627   1HD   LYS  83          2HD       LYS  83   6.169 -18.978   2.635
  628   2HD   LYS  83          1HD       LYS  83   4.773 -19.289   3.648
  629   1HE   LYS  83          2HE       LYS  83   4.042 -21.073   2.200
  630   2HE   LYS  83          1HE       LYS  83   5.219 -20.613   0.971
  631   1HZ   LYS  83          1HZ       LYS  83   5.572 -22.402   3.054
  632   2HZ   LYS  83          2HZ       LYS  83   6.519 -21.044   3.435
  633   3HZ   LYS  83          3HZ       LYS  83   6.743 -21.852   1.958
  634    H    VAL  84           H        VAL  84   0.153 -20.124   3.946
  635    HA   VAL  84           HA       VAL  84  -1.776 -18.017   4.007
  636    HB   VAL  84           HB       VAL  84  -1.580 -20.430   5.832
  637   1HG1  VAL  84          1HG1      VAL  84  -3.847 -18.559   5.093
  638   2HG1  VAL  84          2HG1      VAL  84  -3.165 -18.828   6.697
  639   3HG1  VAL  84          3HG1      VAL  84  -4.086 -20.107   5.905
  640   1HG2  VAL  84          1HG2      VAL  84  -3.172 -20.123   3.279
  641   2HG2  VAL  84          2HG2      VAL  84  -2.883 -21.598   4.202
  642   3HG2  VAL  84          3HG2      VAL  84  -1.561 -20.843   3.313
  643    H    LYS  85           H        LYS  85   0.474 -19.178   6.519
  644    HA   LYS  85           HA       LYS  85  -0.460 -17.265   8.479
  645   1HB   LYS  85          2HB       LYS  85   1.751 -17.896   9.650
  646   2HB   LYS  85          1HB       LYS  85   0.535 -19.146   9.460
  647   1HG   LYS  85          2HG       LYS  85   2.211 -20.419   8.567
  648   2HG   LYS  85          1HG       LYS  85   2.057 -19.435   7.130
  649   1HD   LYS  85          2HD       LYS  85   4.338 -19.236   7.591
  650   2HD   LYS  85          1HD       LYS  85   3.699 -17.802   8.386
  651   1HE   LYS  85          2HE       LYS  85   5.079 -18.744  10.037
  652   2HE   LYS  85          1HE       LYS  85   3.480 -19.339  10.481
  653   1HZ   LYS  85          1HZ       LYS  85   5.495 -20.962  10.271
  654   2HZ   LYS  85          2HZ       LYS  85   5.105 -20.917   8.617
  655   3HZ   LYS  85          3HZ       LYS  85   3.951 -21.434   9.752
  656    H    GLU  86           H        GLU  86   2.526 -17.478   6.603
  657    HA   GLU  86           HA       GLU  86   3.610 -14.988   7.396
  658   1HB   GLU  86          2HB       GLU  86   4.204 -17.108   5.556
  659   2HB   GLU  86          1HB       GLU  86   4.362 -15.590   4.666
  660   1HG   GLU  86          2HG       GLU  86   5.674 -16.087   7.356
  661   2HG   GLU  86          1HG       GLU  86   6.480 -16.362   5.812
  662    H    ALA  87           H        ALA  87   1.454 -15.792   4.665
  663    HA   ALA  87           HA       ALA  87   1.437 -13.173   3.516
  664   1HB   ALA  87          1HB       ALA  87  -0.757 -15.269   3.508
  665   2HB   ALA  87          2HB       ALA  87   0.554 -15.155   2.334
  666   3HB   ALA  87          3HB       ALA  87  -0.661 -13.881   2.424
  667    H    GLN  88           H        GLN  88  -0.705 -14.696   5.934
  668    HA   GLN  88           HA       GLN  88  -2.394 -12.388   6.273
  669   1HB   GLN  88          2HB       GLN  88  -1.841 -14.887   7.861
  670   2HB   GLN  88          1HB       GLN  88  -2.707 -13.569   8.650
  671   1HG   GLN  88          2HG       GLN  88  -4.376 -13.556   6.870
  672   2HG   GLN  88          1HG       GLN  88  -3.506 -14.820   6.010
  673   1HE2  GLN  88          1HE2      GLN  88  -5.057 -14.232   9.209
  674   2HE2  GLN  88          2HE2      GLN  88  -5.545 -15.842   9.423
  675    H    ALA  89           H        ALA  89   0.482 -13.541   8.078
  676    HA   ALA  89           HA       ALA  89   0.551 -11.361   9.930
  677   1HB   ALA  89          1HB       ALA  89   1.899 -13.409  10.244
  678   2HB   ALA  89          2HB       ALA  89   2.928 -11.976  10.252
  679   3HB   ALA  89          3HB       ALA  89   2.853 -13.001   8.818
  680    H    ALA  90           H        ALA  90   1.976 -11.810   6.702
  681    HA   ALA  90           HA       ALA  90   3.411  -9.333   6.641
  682   1HB   ALA  90          1HB       ALA  90   3.700 -11.137   4.936
  683   2HB   ALA  90          2HB       ALA  90   3.356  -9.573   4.194
  684   3HB   ALA  90          3HB       ALA  90   2.083 -10.787   4.325
  685    H    ALA  91           H        ALA  91   0.071 -10.196   6.357
  686    HA   ALA  91           HA       ALA  91  -0.908  -7.826   5.092
  687   1HB   ALA  91          1HB       ALA  91  -3.007  -8.658   5.621
  688   2HB   ALA  91          2HB       ALA  91  -2.527  -9.167   7.236
  689   3HB   ALA  91          3HB       ALA  91  -2.067 -10.125   5.832
  690    H    GLU  92           H        GLU  92  -0.295  -8.673   8.490
  691    HA   GLU  92           HA       GLU  92  -1.221  -6.195   9.589
  692   1HB   GLU  92          2HB       GLU  92   0.447  -8.487  10.547
  693   2HB   GLU  92          1HB       GLU  92   0.527  -6.989  11.475
  694   1HG   GLU  92          2HG       GLU  92  -1.732  -7.073  12.073
  695   2HG   GLU  92          1HG       GLU  92  -2.170  -8.091  10.702
  696    H    GLN  93           H        GLN  93   1.531  -6.897   7.699
  697    HA   GLN  93           HA       GLN  93   3.194  -4.788   8.885
  698   1HB   GLN  93          2HB       GLN  93   4.854  -5.523   7.455
  699   2HB   GLN  93          1HB       GLN  93   3.864  -6.963   7.469
  700   1HG   GLN  93          2HG       GLN  93   4.113  -6.752   5.183
  701   2HG   GLN  93          1HG       GLN  93   2.711  -5.713   5.354
  702   1HE2  GLN  93          1HE2      GLN  93   3.170  -3.375   5.621
  703   2HE2  GLN  93          2HE2      GLN  93   4.534  -2.706   4.867
  704    H    LEU  94           H        LEU  94   0.869  -5.199   6.331
  705    HA   LEU  94           HA       LEU  94   1.240  -2.633   5.077
  706   1HB   LEU  94          2HB       LEU  94   0.038  -4.379   3.914
  707   2HB   LEU  94          1HB       LEU  94  -1.136  -4.505   5.218
  708    HG   LEU  94           HG       LEU  94  -2.007  -2.294   4.738
  709   1HD1  LEU  94          1HD1      LEU  94  -0.137  -0.982   4.136
  710   2HD1  LEU  94          2HD1      LEU  94  -1.030  -1.123   2.625
  711   3HD1  LEU  94          3HD1      LEU  94   0.389  -2.132   2.906
  712   1HD2  LEU  94          1HD2      LEU  94  -1.602  -4.064   2.322
  713   2HD2  LEU  94          2HD2      LEU  94  -2.632  -2.635   2.271
  714   3HD2  LEU  94          3HD2      LEU  94  -3.013  -3.962   3.365
  715    H    LYS  95           H        LYS  95  -0.999  -3.826   7.567
  716    HA   LYS  95           HA       LYS  95  -2.470  -1.468   8.045
  717   1HB   LYS  95          2HB       LYS  95  -1.569  -3.623   9.974
  718   2HB   LYS  95          1HB       LYS  95  -2.765  -2.393  10.375
  719   1HG   LYS  95          2HG       LYS  95  -4.358  -3.247   8.862
  720   2HG   LYS  95          1HG       LYS  95  -3.141  -4.083   7.906
  721   1HD   LYS  95          2HD       LYS  95  -3.479  -6.004   9.088
  722   2HD   LYS  95          1HD       LYS  95  -3.054  -5.198  10.589
  723   1HE   LYS  95          2HE       LYS  95  -5.529  -4.296  10.487
  724   2HE   LYS  95          1HE       LYS  95  -5.768  -5.663   9.393
  725   1HZ   LYS  95          1HZ       LYS  95  -4.379  -6.061  11.953
  726   2HZ   LYS  95          2HZ       LYS  95  -5.266  -7.173  11.023
  727   3HZ   LYS  95          3HZ       LYS  95  -6.073  -5.979  11.923
  728    H    THR  96           H        THR  96   0.187  -2.586  10.158
  729    HA   THR  96           HA       THR  96   0.542  -0.056  11.422
  730    HB   THR  96           HB       THR  96   2.722  -2.128  11.119
  731    HG1  THR  96           1HG      THR  96   1.552  -2.776  13.224
  732   1HG2  THR  96          1HG2      THR  96   1.930  -0.315  13.415
  733   2HG2  THR  96          2HG2      THR  96   3.217   0.038  12.263
  734   3HG2  THR  96          3HG2      THR  96   3.354  -1.353  13.338
  735    H    THR  97           H        THR  97   1.912  -1.361   8.432
  736    HA   THR  97           HA       THR  97   4.146   0.296   8.137
  737    HB   THR  97           HB       THR  97   2.202  -0.853   6.169
  738    HG1  THR  97           1HG      THR  97   4.493  -1.532   5.489
  739   1HG2  THR  97          1HG2      THR  97   2.625   1.155   4.995
  740   2HG2  THR  97          2HG2      THR  97   3.849   0.046   4.378
  741   3HG2  THR  97          3HG2      THR  97   4.283   1.252   5.588
  742    H    ILE  98           H        ILE  98   0.802   1.090   7.078
  743    HA   ILE  98           HA       ILE  98   1.289   3.784   6.368
  744    HB   ILE  98           HB       ILE  98  -1.109   2.247   7.332
  745   1HG1  ILE  98          2HG1      ILE  98  -1.563   3.687   4.871
  746   2HG1  ILE  98          1HG1      ILE  98   0.025   2.937   4.750
  747   1HG2  ILE  98          1HG2      ILE  98  -0.932   5.225   7.116
  748   2HG2  ILE  98          2HG2      ILE  98  -1.711   4.249   8.350
  749   3HG2  ILE  98          3HG2      ILE  98  -2.440   4.404   6.754
  750   1HD1  ILE  98          1HD1      ILE  98  -2.591   1.548   5.401
  751   2HD1  ILE  98          2HD1      ILE  98  -1.013   0.766   5.429
  752   3HD1  ILE  98          3HD1      ILE  98  -1.654   1.397   3.914
  753    H    ARG  99           H        ARG  99   0.072   2.584   9.554
  754    HA   ARG  99           HA       ARG  99   0.170   5.088  10.826
  755   1HB   ARG  99          2HB       ARG  99  -0.632   2.649  11.559
  756   2HB   ARG  99          1HB       ARG  99   0.935   2.624  12.356
  757   1HG   ARG  99          2HG       ARG  99  -0.977   4.943  12.726
  758   2HG   ARG  99          1HG       ARG  99  -1.079   3.489  13.688
  759   1HD   ARG  99          2HD       ARG  99   1.361   5.258  13.453
  760   2HD   ARG  99          1HD       ARG  99   0.284   5.168  14.846
  761    HE   ARG  99           HE       ARG  99   1.365   2.568  14.158
  762   1HH1  ARG  99          1HH2      ARG  99   1.957   5.590  15.706
  763   2HH1  ARG  99          2HH2      ARG  99   3.127   4.947  16.809
  764   1HH2  ARG  99          1HH1      ARG  99   2.888   1.710  15.589
  765   2HH2  ARG  99          2HH1      ARG  99   3.656   2.750  16.742
  766    H    ALA 100           H        ALA 100   2.750   2.591  10.768
  767    HA   ALA 100           HA       ALA 100   4.642   4.133  12.259
  768   1HB   ALA 100          1HB       ALA 100   4.990   1.954  10.187
  769   2HB   ALA 100          2HB       ALA 100   5.107   1.807  11.941
  770   3HB   ALA 100          3HB       ALA 100   6.354   2.674  11.043
  771    H    TYR 101           H        TYR 101   3.711   4.169   8.913
  772    HA   TYR 101           HA       TYR 101   5.909   5.841   7.991
  773   1HB   TYR 101          2HB       TYR 101   3.366   4.753   6.835
  774   2HB   TYR 101          1HB       TYR 101   4.125   6.112   6.023
  775    HD1  TYR 101           1HD      TYR 101   6.024   3.502   7.823
  776    HD2  TYR 101           2HD      TYR 101   4.676   4.934   3.995
  777    HE1  TYR 101           1HE      TYR 101   7.601   1.960   6.694
  778    HE2  TYR 101           2HE      TYR 101   6.264   3.388   2.868
  779    HH   TYR 101           HH       TYR 101   8.791   2.101   4.132
  780    H    ASN 102           H        ASN 102   3.917   6.609  10.246
  781    HA   ASN 102           HA       ASN 102   3.142   8.672  11.069
  782   1HB   ASN 102          2HB       ASN 102   3.614  10.025   8.414
  783   2HB   ASN 102          1HB       ASN 102   3.690  10.702  10.024
  784   1HD2  ASN 102          1HD2      ASN 102   5.371   8.827   7.651
  785   2HD2  ASN 102          2HD2      ASN 102   6.916   8.906   8.366
  786    H    GLN 103           H        GLN 103   1.232   6.917  10.417
  787    HA   GLN 103           HA       GLN 103  -0.799   6.555   9.343
  788   1HB   GLN 103          2HB       GLN 103  -0.612   9.406  10.124
  789   2HB   GLN 103          1HB       GLN 103  -1.880   9.034   8.951
  790   1HG   GLN 103          2HG       GLN 103  -1.489   7.522  11.547
  791   2HG   GLN 103          1HG       GLN 103  -2.615   8.878  11.377
  792   1HE2  GLN 103          1HE2      GLN 103  -2.373   7.184   8.445
  793   2HE2  GLN 103          2HE2      GLN 103  -3.721   6.182   8.614
  794    H    LYS 104           H        LYS 104   1.127   6.198   7.790
  795    HA   LYS 104           HA       LYS 104   1.865   6.005   5.654
  796   1HB   LYS 104          2HB       LYS 104  -0.246   5.564   4.937
  797   2HB   LYS 104          1HB       LYS 104  -0.848   7.139   5.320
  798   1HG   LYS 104          2HG       LYS 104  -0.608   6.728   2.865
  799   2HG   LYS 104          1HG       LYS 104   0.324   8.125   3.429
  800   1HD   LYS 104          2HD       LYS 104   2.383   6.874   3.359
  801   2HD   LYS 104          1HD       LYS 104   1.523   5.328   3.309
  802   1HE   LYS 104          2HE       LYS 104   0.849   5.657   1.064
  803   2HE   LYS 104          1HE       LYS 104   1.263   7.371   1.095
  804   1HZ   LYS 104          1HZ       LYS 104   2.962   6.175  -0.064
  805   2HZ   LYS 104          2HZ       LYS 104   3.148   5.079   1.222
  806   3HZ   LYS 104          3HZ       LYS 104   3.601   6.706   1.414
  807    H    TYR 105           H        TYR 105   0.411   9.295   5.587
  808    HA   TYR 105           HA       TYR 105   3.103  10.416   5.715
  809   1HB   TYR 105          2HB       TYR 105   1.793  10.062   3.140
  810   2HB   TYR 105          1HB       TYR 105   1.962  11.777   3.476
  811    HD1  TYR 105           1HD      TYR 105   3.895   8.600   3.255
  812    HD2  TYR 105           2HD      TYR 105   4.028  12.886   3.282
  813    HE1  TYR 105           1HE      TYR 105   6.272   8.521   2.608
  814    HE2  TYR 105           2HE      TYR 105   6.412  12.814   2.616
  815    HH   TYR 105           HH       TYR 105   7.884  10.282   1.310
  816    H    GLY 106           H        GLY 106   0.578  10.416   7.199
  817   1HA   GLY 106          2HA       GLY 106   0.397  13.314   7.622
  818   2HA   GLY 106          1HA       GLY 106  -1.089  12.562   7.053