NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
596344 | 2n3b | 25640 | cing | 1-original | 4 | unknown | pseudocontact shift |
!backbone PCS values, from RM ox minus RM red values assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 2 and name H ) -0.112 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 3 and name H ) -0.066 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 4 and name H ) -0.085 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 5 and name H ) -0.08 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 6 and name H ) -0.206 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 7 and name H ) -0.078 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 8 and name H ) -0.076 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 9 and name H ) -0.245 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 10 and name H ) -0.290 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 11 and name H ) 0.067 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 12 and name H ) -.162 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 13 and name H ) -0.527 .10 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 15 and name H ) 0.692 .10 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 16 and name H ) 1.07 .10 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 19 and name H ) 2.816 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 20 and name H ) 1.119 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 22 and name H ) 0.339 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 24 and name H ) 0.346 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 25 and name H ) 0.527 .10 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 27 and name H ) 0.420 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 29 and name H ) -.484 .10 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 31 and name H ) 0.937 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 33 and name H ) .738 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 34 and name H ) 0.171 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 35 and name H ) 0.007 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 36 and name H ) -.018 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 37 and name H ) -.190 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 38 and name H ) -.177 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 39 and name H ) -0.043 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 40 and name H ) 0.175 .10 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 41 and name H ) 0.577 .10 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 42 and name H ) -.827 .10 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 43 and name H ) -.560 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 46 and name H ) -.316 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 48 and name H ) -.507 .10 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 49 and name H ) -.652 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 50 and name H ) 0.042 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 51 and name H ) 0.240 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 52 and name H ) 0.136 .10 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 53 and name H ) 0.568 .10 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 54 and name H ) -0.54 .10 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 55 and name H ) -0.464 .10 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 56 and name H ) 0.715 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 57 and name H ) 0.180 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 58 and name H ) -0.117 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 59 and name H ) -0.259 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 60 and name H ) -0.204 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 61 and name H ) -0.205 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 62 and name H ) -0.120 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 63 and name H ) -0.177 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 64 and name H ) -0.370 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 65 and name H ) -0.318 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 66 and name H ) -0.097 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 67 and name H ) -0.157 .10 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 68 and name H ) -0.228 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 69 and name H ) -0.089 .10 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 70 and name H ) 0.457 .10 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 72 and name H ) 1.702 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 73 and name H ) 0.815 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 74 and name H ) 0.809 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 75 and name H ) 1.136 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 77 and name H ) 0.643 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 78 and name H ) 0.891 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 79 and name H ) 0.299 .10 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 81 and name H ) 0.600 .10 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 82 and name H ) 2.416 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 85 and name H ) -0.476 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 87 and name H ) -0.239 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 89 and name H ) -0.186 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 90 and name H ) -0.274 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 91 and name H ) -0.377 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 92 and name H ) -0.341 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 93 and name H ) -0.276 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 95 and name H ) -0.579 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 96 and name H ) -0.333 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 97 and name H ) -0.281 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 98 and name H ) -0.353 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 99 and name H ) -0.161 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 100 and name H ) -0.102 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 101 and name H ) -0.002 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 102 and name H ) 0.097 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 103 and name H ) 0.055 .10 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 104 and name H ) 0.068 .10 !SC PCS values, from RM ox minus aq red values assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 1 and name HA1 ) -0.152 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 1 and name HA2 ) -0.157 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 2 and name HA ) 0.469 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 2 and name HB2 ) -0.103 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 2 and name HB1 ) -0.092 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 3 and name HA ) -0.094 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 3 and name HB ) -0.021 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 3 and name HG11 ) -0.040 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 3 and name HG12 ) -0.040 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 3 and name HG13 ) -0.040 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 3 and name HG21 ) -0.020 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 3 and name HG22 ) -0.020 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 3 and name HG23 ) -0.020 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 4 and name HA ) -0.046 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 4 and name HG1 ) -0.062 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 4 and name HG2 ) -0.062 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 4 and name HB1 ) 0.039 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 4 and name HB2 ) 0.039 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 5 and name HA ) -0.101 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 5 and name HB1 ) -0.146 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 5 and name HB2 ) -0.146 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 5 and name HD1 ) -0.287 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 5 and name HD2 ) -0.287 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 5 and name HE1 ) -0.143 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 5 and name HE2 ) -0.143 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 5 and name HG1 ) -0.102 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 5 and name HG2 ) -0.102 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 6 and name HA1 ) -0.244 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 6 and name HA2 ) -0.315 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 7 and name HA ) -0.012 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 7 and name HE1 ) 0.081 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 7 and name HE2 ) 0.081 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 7 and name HB1 ) 0.007 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 7 and name HB2 ) 0.007 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 7 and name HD1 ) 0.332 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 7 and name HD2 ) 0.332 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 7 and name HG1 ) -0.487 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 7 and name HG2 ) -0.487 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 8 and name HA ) -0.050 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 8 and name HE1 ) -0.024 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 8 and name HE2 ) -0.024 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 8 and name HB1 ) -0.067 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 8 and name HB2 ) -0.067 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 8 and name HD1 ) -0.032 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 8 and name HD2 ) -0.032 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 8 and name HG1 ) -0.040 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 8 and name HG2 ) -0.040 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 9 and name HA ) -0.359 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 9 and name HB ) -0.445 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 9 and name HG12 ) -2.167 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 9 and name HD11 ) -0.419 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 9 and name HD12 ) -0.419 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 9 and name HD13 ) -0.419 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 9 and name HG21 ) -0.786 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 9 and name HG22 ) -0.786 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 9 and name HG23 ) -0.786 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 10 and name HA ) -0.582 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 10 and name HB2 ) 0.144 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 10 and name HB1 ) -0.196 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 11 and name HA ) 0.343 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 11 and name HB ) 0.097 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 11 and name HG21 ) 0.155 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 11 and name HG22 ) 0.155 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 11 and name HG23 ) 0.155 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 11 and name HG11 ) 0.204 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 11 and name HG12 ) 0.204 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 11 and name HG13 ) 0.204 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 12 and name HA ) -0.056 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 12 and name HG2 ) 0.058 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 12 and name HG1 ) 0.041 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 12 and name HB1 ) -0.375 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 13 and name HA ) -0.663 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 13 and name HE1 ) -0.443 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 13 and name HE2 ) -0.443 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 13 and name HB1 ) -1.322 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 13 and name HB2 ) -1.322 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 13 and name HD1 ) -1.234 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 13 and name HD2 ) -1.234 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 13 and name HG1 ) -0.976 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 13 and name HG2 ) -0.976 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 15 and name HA ) 2.065 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 15 and name HB1 ) 0.837 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 15 and name HB2 ) 0.837 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 15 and name HB3 ) 0.837 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 16 and name HA ) 0.775 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 16 and name HG2 ) 0.262 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 16 and name HG1 ) 0.353 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 16 and name HB1 ) 0.48 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 16 and name HB2 ) 0.48 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 19 and name HA ) 1.647 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 19 and name HB ) 1.052 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 19 and name HG21 ) 1.168 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 19 and name HG22 ) 1.168 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 19 and name HG23 ) 1.168 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 20 and name HA ) 1.120 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 20 and name HB ) 0.727 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 20 and name HG21 ) 0.670 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! 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( resid 65 and name HG1 ) -0.667 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 65 and name HE1 ) -0.175 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 65 and name HE2 ) -0.175 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 65 and name HE3 ) -0.175 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 66 and name HA ) 0.558 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 66 and name HB1 ) 0.589 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 66 and name HB2 ) 0.475 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 66 and name HG2 ) 0.017 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 66 and name HG1 ) -0.303 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 67 and name HA ) 0.355 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 67 and name HB2 ) -0.145 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 67 and name HB1 ) -0.078 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 68 and name HA ) -0.517 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 68 and name HB1 ) -0.694 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 68 and name HB2 ) -0.694 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 68 and name HG ) -2.016 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 68 and name HD11 ) -1.675 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 68 and name HD12 ) -1.675 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 68 and name HD13 ) -1.675 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 68 and name HD21 ) -3.062 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 68 and name HD22 ) -3.062 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 68 and name HD23 ) -3.062 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 69 and name HA ) -0.102 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 69 and name HG1 ) -0.013 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 69 and name HG2 ) -0.013 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 69 and name HB1 ) -0.364 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 69 and name HB2 ) -0.364 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 71 and name HA ) 1.600 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 71 and name HB1 ) 4.061 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 71 and name HB2 ) 4.061 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 71 and name HG1 ) 1.422 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 71 and name HG2 ) 1.422 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 72 and name HA ) 1.454 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 72 and name HE1 ) 0.777 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 72 and name HE2 ) 0.777 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 72 and name HB1 ) 1.114 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 72 and name HB2 ) 1.114 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 72 and name HD1 ) 1.176 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 72 and name HD2 ) 1.176 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 72 and name HG1 ) 1.209 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 72 and name HG2 ) 1.209 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 73 and name HA ) 0.540 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 73 and name HE1 ) 0.262 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 73 and name HE2 ) 0.262 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 73 and name HB1 ) 0.447 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 73 and name HB2 ) 0.447 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 73 and name HG1 ) 0.358 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 73 and name HG2 ) 0.358 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 74 and name HA ) 0.389 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 74 and name HB2 ) 0.892 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 74 and name HB1 ) 0.760 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 75 and name HD11 ) 1.058 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 75 and name HD12 ) 1.058 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! 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( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 78 and name HB ) 1.654 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 78 and name HA ) 0.683 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 78 and name HG21 ) 2.705 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 78 and name HG22 ) 2.705 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 78 and name HG23 ) 2.705 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 79 and name HA ) 0.345 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 79 and name HD1 ) -0.437 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 79 and name HD2 ) -0.437 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 79 and name HA ) 0.345 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 81 and name HA ) 1.542 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 81 and name HB ) 0.043 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 81 and name HG21 ) 0.332 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 81 and name HG22 ) 0.332 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 81 and name HG23 ) 0.332 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 81 and name HD11 ) 0.251 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 81 and name HD12 ) 0.251 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 81 and name HD13 ) 0.251 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 82 and name HA ) -0.626 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 82 and name HB2 ) 0.909 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 83 and name HB1 ) 0.161 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 83 and name HB2 ) 0.161 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 83 and name HB3 ) 0.161 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 84 and name HA2 ) 0.193 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 84 and name HA1 ) -0.084 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 85 and name HA ) -0.382 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 85 and name HB ) -0.837 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 85 and name HG21 ) -0.535 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 85 and name HG22 ) -0.535 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 85 and name HG23 ) -0.535 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 85 and name HD11 ) -1.236 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 85 and name HD12 ) -1.236 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 85 and name HD13 ) -1.236 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 86 and name HA ) -0.077 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 86 and name HE1 ) 0.045 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 86 and name HE2 ) 0.045 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 86 and name HB1 ) -0.088 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 86 and name HB2 ) -0.088 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 86 and name HD1 ) 0.032 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 86 and name HD2 ) 0.032 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 86 and name HG1 ) -0.029 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 86 and name HG2 ) -0.029 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 87 and name HA ) -0.102 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 87 and name HE1 ) -0.111 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 87 and name HE2 ) -0.111 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 87 and name HG1 ) 0.052 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) 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and name X ) ( resid 500 and name Y ) ( resid 88 and name HD2 ) -0.050 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 88 and name HG1 ) -0.082 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 88 and name HG2 ) -0.082 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 89 and name HB ) -0.151 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 89 and name HA ) -0.095 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 89 and name HG21 ) -0.086 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 89 and name HG22 ) -0.086 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 89 and name HG23 ) -0.086 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 90 and name HA ) -0.374 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 90 and name HG1 ) -0.296 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 90 and name HG2 ) -0.296 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 90 and name HB1 ) -0.366 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 90 and name HB2 ) -0.366 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 91 and name HA ) -0.618 .20 assign ( resid 500 and name OO ) ( resid 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( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 94 and name HD11 ) -0.967 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 94 and name HD12 ) -0.967 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 94 and name HD13 ) -0.967 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 94 and name HD21 ) -1.781 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 94 and name HD22 ) -1.781 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 94 and name HD23 ) -1.781 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 95 and name HA ) -0.657 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 95 and name HB ) -0.339 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 95 and name HG21 ) -0.412 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 95 and name HG22 ) -0.412 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 95 and name HG23 ) -0.412 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 95 and name HG12 ) -0.393 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 95 and name HD11 ) -0.549 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 95 and name HD12 ) -0.549 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 95 and name HD13 ) -0.549 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 96 and name HA ) -0.175 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 96 and name HB1 ) -0.169 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 96 and name HB2 ) -0.169 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 96 and name HB3 ) -0.169 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 97 and name HA ) -0.083 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 97 and name HB2 ) -0.127 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 97 and name HB1 ) -0.305 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 98 and name HA ) -0.083 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 98 and name HB1 ) -0.518 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 98 and name HB2 ) -0.518 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 98 and name HG ) -0.344 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 98 and name HD21 ) -0.226 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 98 and name HD22 ) -0.226 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 98 and name HD23 ) -0.226 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 98 and name HD11 ) -1.215 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 98 and name HD12 ) -1.215 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 98 and name HD13 ) -1.215 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 99 and name HA ) -0.118 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 99 and name HB1 ) -0.121 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 99 and name HB2 ) -0.121 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 99 and name HG1 ) 0.346 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 99 and name HG2 ) 0.346 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 100 and name HA ) -0.003 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 100 and name HE1 ) 0.061 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 100 and name HE2 ) 0.061 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 100 and name HB1 ) 0.036 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 100 and name HB2 ) 0.036 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 100 and name HD1 ) 0.079 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 100 and name HD2 ) 0.079 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 100 and name HG1 ) 0.016 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 100 and name HG2 ) 0.016 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 101 and name HA ) 0.203 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 101 and name HB1 ) 0.231 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 101 and name HB2 ) 0.231 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 101 and name HB3 ) 0.231 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 102 and name HB ) 0.006 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 102 and name HA ) 0.234 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 102 and name HG21 ) 0.224 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 102 and name HG22 ) 0.224 .20 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 102 and name HG23 ) 0.224 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 103 and name HA ) -0.029 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 103 and name HB2 ) -0.019 .20 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 103 and name HB1 ) -0.046 .20
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