NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
532926 | 2kli | cing | 1-original | 2 | XPLOR/CNS | dipolar coupling |
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 32 and name CA ) ( resid 32 and name HA ) 0.1 1.0 1.0 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 CA ) ( resid 33 and name HA ) -3.6 1.0 1.0 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 CA ) ( resid 35 and name HA ) 7.1 1.0 1.0 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 CA ) ( resid 36 and name HA ) -6.7 1.0 1.0 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 CA ) ( resid 37 and name HA ) -3.2 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 44 and name CA ) ( resid 44 and name HA ) -6.7 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 45 and name CA ) ( resid 45 and name HA ) -2.7 1.0 1.0 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 CA ) ( resid 46 and name HA ) 5.3 1.0 1.0 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 CA ) ( resid 48 and name HA ) -19.4 1.0 1.0 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 CA ) ( resid 49 and name HA ) 11.7 1.0 1.0 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 CA ) ( resid 51 and name HA ) 9.0 1.0 1.0 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 CA ) ( resid 52 and name HA ) 8.4 1.0 1.0 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 CA ) ( resid 54 and name HA ) 12.5 1.0 1.0 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 CA ) ( resid 55 and name HA ) 11.1 1.0 1.0 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 CA ) ( resid 56 and name HA ) -5.0 1.0 1.0 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 CA ) ( resid 58 and name HA ) 8.9 1.0 1.0 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 CA ) ( resid 59 and name HA ) 3.7 1.0 1.0 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 CA ) ( resid 61 and name HA ) -16.3 1.0 1.0 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 CA ) ( resid 63 and name HA ) -3.4 1.0 1.0 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 CA ) ( resid 64 and name HA ) 10.5 1.0 1.0 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 CA ) ( resid 65 and name HA ) 8.7 1.0 1.0 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 CA ) ( resid 66 and name HA ) 18.0 1.0 1.0 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 CA ) ( resid 67 and name HA ) 17.1 1.0 1.0 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 CA ) ( resid 68 and name HA ) 14.7 1.0 1.0 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 CA ) ( resid 69 and name HA ) 16.3 1.0 1.0 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 CA ) ( resid 72 and name HA ) -11.4 1.0 1.0 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 CA ) ( resid 73 and name HA ) -4.5 1.0 1.0 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 CA ) ( resid 75 and name HA ) 13.8 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 76 and name CA ) ( resid 76 and name HA ) 9.9 1.0 1.0 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 CA ) ( resid 77 and name HA ) -0.8 1.0 1.0 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 CA ) ( resid 78 and name HA ) 13.3 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 80 and name CA ) ( resid 80 and name HA ) 5.1 1.0 1.0 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 CA ) ( resid 81 and name HA ) 2.8 1.0 1.0 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 CA ) ( resid 86 and name HA ) -10.7 1.0 1.0 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 CA ) ( resid 90 and name HA ) -1.0 1.0 1.0 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 CA ) ( resid 91 and name HA ) -2.5 1.0 1.0 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 CA ) ( resid 92 and name HA ) 6.2 1.0 1.0 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 CA ) ( resid 93 and name HA ) -16.8 1.0 1.0 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 CA ) ( resid 94 and name HA ) 13.3 1.0 1.0 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 CA ) ( resid 95 and name HA ) -7.0 1.0 1.0 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 CA ) ( resid 96 and name HA ) 6.1 1.0 1.0 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 CA ) ( resid 97 and name HA ) -15.0 1.0 1.0 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 CA ) ( resid 98 and name HA ) 6.3 1.0 1.0 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 CA ) ( resid 99 and name HA ) 10.5 1.0 1.0 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 CA ) ( resid 100 and name HA ) 7.9 1.0 1.0 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 CA ) ( resid 101 and name HA ) 4.8 1.0 1.0 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 CA ) ( resid 103 and name HA ) 15.2 1.0 1.0 !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 CA ) ! ( resid 104 and name HA ) 12.0 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 105 and name CA ) ( resid 105 and name HA ) 15.8 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 106 and name CA ) ( resid 106 and name HA ) 3.8 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 107 and name CA ) ( resid 107 and name HA ) 4.6 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 108 and name CA ) ( resid 108 and name HA ) -16.2 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 109 and name CA ) ( resid 109 and name HA ) -4.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 110 and name CA ) ( resid 110 and name HA ) 8.3 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 111 and name CA ) ( resid 111 and name HA ) 12.6 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 112 and name CA ) ( resid 112 and name HA ) 13.8 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 113 and name CA ) ( resid 113 and name HA ) 12.3 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 124 and name CA ) ( resid 124 and name HA ) 7.8 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 130 and name CA ) ( resid 130 and name HA ) 0.0 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 131 and name CA ) ( resid 131 and name HA ) -14.6 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 132 and name CA ) ( resid 132 and name HA ) 8.2 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 134 and name CA ) ( resid 134 and name HA ) 0.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 137 and name CA ) ( resid 137 and name HA ) -3.9 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 138 and name CA ) ( resid 138 and name HA ) 4.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 139 and name CA ) ( resid 139 and name HA ) 3.8 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 140 and name CA ) ( resid 140 and name HA ) 1.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 141 and name CA ) ( resid 141 and name HA ) -11.7 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 142 and name CA ) ( resid 142 and name HA ) 8.3 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 143 and name CA ) ( resid 143 and name HA ) -2.4 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 144 and name CA ) ( resid 144 and name HA ) -0.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 145 and name CA ) ( resid 145 and name HA ) -14.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 146 and name CA ) ( resid 146 and name HA ) 11.7 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 148 and name CA ) ( resid 148 and name HA ) 3.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 149 and name CA ) ( resid 149 and name HA ) 2.9 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 150 and name CA ) ( resid 150 and name HA ) 12.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 153 and name CA ) ( resid 153 and name HA ) 14.6 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 155 and name CA ) ( resid 155 and name HA ) 10.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 156 and name CA ) ( resid 156 and name HA ) -0.3 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 157 and name CA ) ( resid 157 and name HA ) -0.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 160 and name CA ) ( resid 160 and name HA ) -8.6 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 161 and name CA ) ( resid 161 and name HA ) 6.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 162 and name CA ) ( resid 162 and name HA ) 2.2 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 163 and name CA ) ( resid 163 and name HA ) -8.7 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 166 and name CA ) ( resid 166 and name HA ) 15.7 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 168 and name CA ) ( resid 168 and name HA ) 10.7 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 169 and name CA ) ( resid 169 and name HA ) 10.0 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 170 and name CA ) ( resid 170 and name HA ) 13.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 171 and name CA ) ( resid 171 and name HA ) 2.8 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 175 and name CA ) ( resid 175 and name HA ) 2.0 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 176 and name CA ) ( resid 176 and name HA ) 12.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 182 and name CA ) ( resid 182 and name HA ) -0.0 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 183 and name CA ) ( resid 183 and name HA ) -8.2 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 184 and name CA ) ( resid 184 and name HA ) 6.6 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 186 and name CA ) ( resid 186 and name HA ) -1.7 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 187 and name CA ) ( resid 187 and name HA ) -1.7 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 188 and name CA ) ( resid 188 and name HA ) 12.8 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 190 and name CA ) ( resid 190 and name HA ) -9.7 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 191 and name CA ) ( resid 191 and name HA ) 10.4 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 193 and name CA ) ( resid 193 and name HA ) -0.3 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 194 and name CA ) ( resid 194 and name HA ) -9.0 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 195 and name CA ) ( resid 195 and name HA ) 14.8 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 196 and name CA ) ( resid 196 and name HA ) -0.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 197 and name CA ) ( resid 197 and name HA ) -7.6 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 198 and name CA ) ( resid 198 and name HA ) 6.3 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 199 and name CA ) ( resid 199 and name HA ) 4.3 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 200 and name CA ) ( resid 200 and name HA ) 0.9 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 32 and name N ) ( resid 32 and name HN ) -15.0 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 33 and name N ) ( resid 33 and name HN ) -17.9 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 34 and name N ) ( resid 34 and name HN ) -15.8 1.0 1.0 !! L35 only in 3d pfr, -14.4 in pr assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 35 and name N ) ( resid 35 and name HN ) -5.8 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 36 and name N ) ( resid 36 and name HN ) -15.4 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 37 and name N ) ( resid 37 and name HN ) -16.7 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 39 and name N ) ( resid 39 and name HN ) -10.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 40 and name N ) ( resid 40 and name HN ) -16.1 1.0 1.0 !! E41 only in ipap pfr, not in pr !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 41 and name N ) ! ( resid 41 and name HN ) 10.3 1.0 1.0 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 N ) ( resid 43 and name HN ) -11.9 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 44 and name N ) ( resid 44 and name HN ) -16.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 45 and name N ) ( resid 45 and name HN ) -13.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 46 and name N ) ( resid 46 and name HN ) -12.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 47 and name N ) ( resid 47 and name HN ) -9.9 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 48 and name N ) ( resid 48 and name HN ) -13.2 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 49 and name N ) ( resid 49 and name HN ) -3.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 50 and name N ) ( resid 50 and name HN ) 12.4 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 51 and name N ) ( resid 51 and name HN ) 19.5 1.0 1.0 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 N ) ( resid 52 and name HN ) 15.7 1.0 1.0 !! V53 in both 3d and ipap pfr; 15.2 in pr! !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 53 and name N ) ! ( resid 53 and name HN ) -1.9 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 54 and name N ) ( resid 54 and name HN ) 13.9 1.0 1.0 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 N ) ( resid 55 and name HN ) 14.5 1.0 1.0 !! F56 only in 3d pfr; 6 in pr! assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 56 and name N ) ( resid 56 and name HN ) -8.4 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 57 and name N ) ( resid 57 and name HN ) -9.2 1.0 1.0 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 N ) ( resid 59 and name HN ) 13.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 60 and name N ) ( resid 60 and name HN ) 0.2 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 61 and name N ) ( resid 61 and name HN ) -18.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 62 and name N ) ( resid 62 and name HN ) -8.7 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 63 and name N ) ( resid 63 and name HN ) -1.6 1.0 1.0 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 N ) ( resid 64 and name HN ) 6.3 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 65 and name N ) ( resid 65 and name HN ) 16.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 66 and name N ) ( resid 66 and name HN ) 5.9 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 67 and name N ) ( resid 67 and name HN ) 13.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 68 and name N ) ( resid 68 and name HN ) 17.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 69 and name N ) ( resid 69 and name HN ) 11.0 1.0 1.0 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 N ) ( resid 70 and name HN ) 10.6 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 73 and name N ) ( resid 73 and name HN ) 0.9 1.0 1.0 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 N ) ( resid 74 and name HN ) 0.9 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 76 and name N ) ( resid 76 and name HN ) 13.0 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 77 and name N ) ( resid 77 and name HN ) 3.4 1.0 1.0 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 N ) ( resid 78 and name HN ) -7.4 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 79 and name N ) ( resid 79 and name HN ) 7.1 1.0 1.0 !! F80 only in ipap pfr assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 80 and name N ) ( resid 80 and name HN ) -2.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 81 and name N ) ( resid 81 and name HN ) 8.2 1.0 1.0 !! F82 ovl. w. pr! assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 82 and name N ) ( resid 82 and name HN ) -4.0 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 85 and name N ) ( resid 85 and name HN ) 2.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 86 and name N ) ( resid 86 and name HN ) -0.2 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 87 and name N ) ( resid 87 and name HN ) -12.8 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 89 and name N ) ( resid 89 and name HN ) -13.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 91 and name N ) ( resid 91 and name HN ) 5.4 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 92 and name N ) ( resid 92 and name HN ) -2.6 1.0 1.0 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 N ) ( resid 93 and name HN ) -1.7 1.0 1.0 !! L94 in both 3d and ipap pfr, -1 in pr! 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 N ) ( resid 94 and name HN ) -10.3 1.0 1.0 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 N ) ( resid 95 and name HN ) 5.3 1.0 1.0 !! R96 only in 3d pfr, 1.1 in pr 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 N ) ( resid 96 and name HN ) -7.7 1.0 1.0 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 N ) ( resid 97 and name HN ) -6.2 1.0 1.0 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 N ) ( resid 98 and name HN ) 4.6 1.0 1.0 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 N ) ( resid 99 and name HN ) -5.6 1.0 1.0 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 N ) ( resid 100 and name HN ) -0.2 1.0 1.0 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 N ) ( resid 101 and name HN ) 17.2 1.0 1.0 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 N ) ( resid 102 and name HN ) 7.1 1.0 1.0 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 N ) ( resid 103 and name HN ) 18.5 1.0 1.0 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 N ) ( resid 104 and name HN ) 10.4 1.0 1.0 !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 105 and name N ) ! ( resid 105 and name HN ) 15.2 1.0 1.0 !! V106 only in ipap pfr assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 106 and name N ) ( resid 106 and name HN ) 11.0 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 107 and name N ) ( resid 107 and name HN ) -0.2 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 108 and name N ) ( resid 108 and name HN ) -1.6 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 109 and name N ) ( resid 109 and name HN ) 15.2 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 110 and name N ) ( resid 110 and name HN ) 13.7 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 111 and name N ) ( resid 111 and name HN ) 7.7 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 112 and name N ) ( resid 112 and name HN ) 16.6 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 113 and name N ) ( resid 113 and name HN ) 10.3 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 114 and name N ) ( resid 114 and name HN ) 4.3 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 115 and name N ) ( resid 115 and name HN ) -18.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 124 and name N ) ( resid 124 and name HN ) 0.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 125 and name N ) ( resid 125 and name HN ) 1.6 1.0 1.0 !! L127 in both 3d and ipap pfr, not in pr (flex loop)! assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 127 and name N ) ( resid 127 and name HN ) 1.5 1.0 1.0 !! E129 big outlier, only in ipap pfr, not in pr (flex loop)! !assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ! ( resid 500 and name X ) ! ( resid 500 and name Y ) ! ( resid 129 and name N ) ! ( resid 129 and name HN ) -12.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 132 and name N ) ( resid 132 and name HN ) 15.4 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 133 and name N ) ( resid 133 and name HN ) 13.6 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 135 and name N ) ( resid 135 and name HN ) -11.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 136 and name N ) ( resid 136 and name HN ) -12.2 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 138 and name N ) ( resid 138 and name HN ) 13.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 139 and name N ) ( resid 139 and name HN ) 16.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 140 and name N ) ( resid 140 and name HN ) 13.4 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 141 and name N ) ( resid 141 and name HN ) 11.7 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 142 and name N ) ( resid 142 and name HN ) 17.3 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 143 and name N ) ( resid 143 and name HN ) 17.4 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 144 and name N ) ( resid 144 and name HN ) 15.6 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 145 and name N ) ( resid 145 and name HN ) 10.2 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 146 and name N ) ( resid 146 and name HN ) 16.4 1.0 1.0 !! G147 only in ipap pfr assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 147 and name N ) ( resid 147 and name HN ) 8.9 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 148 and name N ) ( resid 148 and name HN ) -2.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 149 and name N ) ( resid 149 and name HN ) 9.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 150 and name N ) ( resid 150 and name HN ) 18.9 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 151 and name N ) ( resid 151 and name HN ) 10.4 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 152 and name N ) ( resid 152 and name HN ) 17.7 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 153 and name N ) ( resid 153 and name HN ) 8.8 1.0 1.0 !! V154 only in ipap pfr, 16.7 in pr! assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 154 and name N ) ( resid 154 and name HN ) 3.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 156 and name N ) ( resid 156 and name HN ) -2.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 157 and name N ) ( resid 157 and name HN ) -4.7 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 158 and name N ) ( resid 158 and name HN ) 1.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 161 and name N ) ( resid 161 and name HN ) 1.9 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 162 and name N ) ( resid 162 and name HN ) 1.0 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 163 and name N ) ( resid 163 and name HN ) -0.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 164 and name N ) ( resid 164 and name HN ) 11.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 165 and name N ) ( resid 165 and name HN ) 16.0 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 166 and name N ) ( resid 166 and name HN ) 14.6 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 167 and name N ) ( resid 167 and name HN ) 14.0 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 168 and name N ) ( resid 168 and name HN ) 16.6 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 169 and name N ) ( resid 169 and name HN ) 13.7 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 170 and name N ) ( resid 170 and name HN ) 12.2 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 171 and name N ) ( resid 171 and name HN ) 12.9 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 172 and name N ) ( resid 172 and name HN ) -10.5 1.0 1.0 !! Y176 only in ipap pfr assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 176 and name N ) ( resid 176 and name HN ) 10.7 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 177 and name N ) ( resid 177 and name HN ) 15.9 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 179 and name N ) ( resid 179 and name HN ) -18.0 1.0 1.0 !! V183 only in ipap pfr assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 183 and name N ) ( resid 183 and name HN ) -11.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 184 and name N ) ( resid 184 and name HN ) -13.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 185 and name N ) ( resid 185 and name HN ) -12.4 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 187 and name N ) ( resid 187 and name HN ) -13.5 1.0 1.0 !! D188 only in ipap pfr, -13.6 in pr! assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 188 and name N ) ( resid 188 and name HN ) -0.1 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 189 and name N ) ( resid 189 and name HN ) -10.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 190 and name N ) ( resid 190 and name HN ) -16.5 1.0 1.0 !! V191 only in 3d pfr, -10 in pr! assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 191 and name N ) ( resid 191 and name HN ) -21.4 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 192 and name N ) ( resid 192 and name HN ) -12.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 193 and name N ) ( resid 193 and name HN ) -13.0 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 194 and name N ) ( resid 194 and name HN ) -16.5 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 195 and name N ) ( resid 195 and name HN ) -8.3 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 196 and name N ) ( resid 196 and name HN ) -7.9 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 197 and name N ) ( resid 197 and name HN ) -13.1 1.0 1.0 !! A198 in both 3d and ipap pfr; -17.3 in pr! assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 198 and name N ) ( resid 198 and name HN ) -8.2 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 199 and name N ) ( resid 199 and name HN ) -1.2 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 200 and name N ) ( resid 200 and name HN ) -9.6 1.0 1.0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 201 and name N ) ( resid 201 and name HN ) -8.7 1.0 1.0 !! L202 only in 3d pfr, -16.9 in pr! assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 202 and name N ) ( resid 202 and name HN ) -3.1 1.0 1.0
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