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April 16, 2018 22:24
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| PSF CMAP | |
| 7 !NTITLE | |
| REMARKS original generated structure x-plor psf file | |
| REMARKS 2 patches were applied to the molecule. | |
| REMARKS topology C:/Users/joaor/Downloads/toppar/top_all36_prot.rtf | |
| REMARKS topology C:/Users/joaor/Downloads/toppar/top_all22_prot.rtf | |
| REMARKS segment A { first ACE; last CT3; auto angles dihedrals } | |
| REMARKS patch CT3 A:27 | |
| REMARKS patch ACE A:1 | |
| 450 !NATOM | |
| 1 A 1 MET CAY CT3 -0.270000 12.0110 0 | |
| 2 A 1 MET HY1 HA3 0.090000 1.0080 0 | |
| 3 A 1 MET HY2 HA3 0.090000 1.0080 0 | |
| 4 A 1 MET HY3 HA3 0.090000 1.0080 0 | |
| 5 A 1 MET CY C 0.510000 12.0110 0 | |
| 6 A 1 MET OY O -0.510000 15.9990 0 | |
| 7 A 1 MET N NH1 -0.470000 14.0070 0 | |
| 8 A 1 MET HN H 0.310000 1.0080 0 | |
| 9 A 1 MET CA CT1 0.070000 12.0110 0 | |
| 10 A 1 MET HA HB1 0.090000 1.0080 0 | |
| 11 A 1 MET CB CT2 -0.180000 12.0110 0 | |
| 12 A 1 MET HB1 HA2 0.090000 1.0080 0 | |
| 13 A 1 MET HB2 HA2 0.090000 1.0080 0 | |
| 14 A 1 MET CG CT2 -0.140000 12.0110 0 | |
| 15 A 1 MET HG1 HA2 0.090000 1.0080 0 | |
| 16 A 1 MET HG2 HA2 0.090000 1.0080 0 | |
| 17 A 1 MET SD S -0.090000 32.0600 0 | |
| 18 A 1 MET CE CT3 -0.220000 12.0110 0 | |
| 19 A 1 MET HE1 HA3 0.090000 1.0080 0 | |
| 20 A 1 MET HE2 HA3 0.090000 1.0080 0 | |
| 21 A 1 MET HE3 HA3 0.090000 1.0080 0 | |
| 22 A 1 MET C C 0.510000 12.0110 0 | |
| 23 A 1 MET O O -0.510000 15.9990 0 | |
| 24 A 2 ASP N NH1 -0.470000 14.0070 0 | |
| 25 A 2 ASP HN H 0.310000 1.0080 0 | |
| 26 A 2 ASP CA CT1 0.070000 12.0110 0 | |
| 27 A 2 ASP HA HB1 0.090000 1.0080 0 | |
| 28 A 2 ASP CB CT2A -0.280000 12.0110 0 | |
| 29 A 2 ASP HB1 HA2 0.090000 1.0080 0 | |
| 30 A 2 ASP HB2 HA2 0.090000 1.0080 0 | |
| 31 A 2 ASP CG CC 0.620000 12.0110 0 | |
| 32 A 2 ASP OD1 OC -0.760000 15.9990 0 | |
| 33 A 2 ASP OD2 OC -0.760000 15.9990 0 | |
| 34 A 2 ASP C C 0.510000 12.0110 0 | |
| 35 A 2 ASP O O -0.510000 15.9990 0 | |
| 36 A 3 TYR N NH1 -0.470000 14.0070 0 | |
| 37 A 3 TYR HN H 0.310000 1.0080 0 | |
| 38 A 3 TYR CA CT1 0.070000 12.0110 0 | |
| 39 A 3 TYR HA HB1 0.090000 1.0080 0 | |
| 40 A 3 TYR CB CT2 -0.180000 12.0110 0 | |
| 41 A 3 TYR HB1 HA2 0.090000 1.0080 0 | |
| 42 A 3 TYR HB2 HA2 0.090000 1.0080 0 | |
| 43 A 3 TYR CG CA 0.000000 12.0110 0 | |
| 44 A 3 TYR CD1 CA -0.115000 12.0110 0 | |
| 45 A 3 TYR HD1 HP 0.115000 1.0080 0 | |
| 46 A 3 TYR CE1 CA -0.115000 12.0110 0 | |
| 47 A 3 TYR HE1 HP 0.115000 1.0080 0 | |
| 48 A 3 TYR CZ CA 0.110000 12.0110 0 | |
| 49 A 3 TYR OH OH1 -0.540000 15.9990 0 | |
| 50 A 3 TYR HH H 0.430000 1.0080 0 | |
| 51 A 3 TYR CD2 CA -0.115000 12.0110 0 | |
| 52 A 3 TYR HD2 HP 0.115000 1.0080 0 | |
| 53 A 3 TYR CE2 CA -0.115000 12.0110 0 | |
| 54 A 3 TYR HE2 HP 0.115000 1.0080 0 | |
| 55 A 3 TYR C C 0.510000 12.0110 0 | |
| 56 A 3 TYR O O -0.510000 15.9990 0 | |
| 57 A 4 GLN N NH1 -0.470000 14.0070 0 | |
| 58 A 4 GLN HN H 0.310000 1.0080 0 | |
| 59 A 4 GLN CA CT1 0.070000 12.0110 0 | |
| 60 A 4 GLN HA HB1 0.090000 1.0080 0 | |
| 61 A 4 GLN CB CT2 -0.180000 12.0110 0 | |
| 62 A 4 GLN HB1 HA2 0.090000 1.0080 0 | |
| 63 A 4 GLN HB2 HA2 0.090000 1.0080 0 | |
| 64 A 4 GLN CG CT2 -0.180000 12.0110 0 | |
| 65 A 4 GLN HG1 HA2 0.090000 1.0080 0 | |
| 66 A 4 GLN HG2 HA2 0.090000 1.0080 0 | |
| 67 A 4 GLN CD CC 0.550000 12.0110 0 | |
| 68 A 4 GLN OE1 O -0.550000 15.9990 0 | |
| 69 A 4 GLN NE2 NH2 -0.620000 14.0070 0 | |
| 70 A 4 GLN HE21 H 0.320000 1.0080 0 | |
| 71 A 4 GLN HE22 H 0.300000 1.0080 0 | |
| 72 A 4 GLN C C 0.510000 12.0110 0 | |
| 73 A 4 GLN O O -0.510000 15.9990 0 | |
| 74 A 5 VAL N NH1 -0.470000 14.0070 0 | |
| 75 A 5 VAL HN H 0.310000 1.0080 0 | |
| 76 A 5 VAL CA CT1 0.070000 12.0110 0 | |
| 77 A 5 VAL HA HB1 0.090000 1.0080 0 | |
| 78 A 5 VAL CB CT1 -0.090000 12.0110 0 | |
| 79 A 5 VAL HB HA1 0.090000 1.0080 0 | |
| 80 A 5 VAL CG1 CT3 -0.270000 12.0110 0 | |
| 81 A 5 VAL HG11 HA3 0.090000 1.0080 0 | |
| 82 A 5 VAL HG12 HA3 0.090000 1.0080 0 | |
| 83 A 5 VAL HG13 HA3 0.090000 1.0080 0 | |
| 84 A 5 VAL CG2 CT3 -0.270000 12.0110 0 | |
| 85 A 5 VAL HG21 HA3 0.090000 1.0080 0 | |
| 86 A 5 VAL HG22 HA3 0.090000 1.0080 0 | |
| 87 A 5 VAL HG23 HA3 0.090000 1.0080 0 | |
| 88 A 5 VAL C C 0.510000 12.0110 0 | |
| 89 A 5 VAL O O -0.510000 15.9990 0 | |
| 90 A 6 SER N NH1 -0.470000 14.0070 0 | |
| 91 A 6 SER HN H 0.310000 1.0080 0 | |
| 92 A 6 SER CA CT1 0.070000 12.0110 0 | |
| 93 A 6 SER HA HB1 0.090000 1.0080 0 | |
| 94 A 6 SER CB CT2 0.050000 12.0110 0 | |
| 95 A 6 SER HB1 HA2 0.090000 1.0080 0 | |
| 96 A 6 SER HB2 HA2 0.090000 1.0080 0 | |
| 97 A 6 SER OG OH1 -0.660000 15.9990 0 | |
| 98 A 6 SER HG1 H 0.430000 1.0080 0 | |
| 99 A 6 SER C C 0.510000 12.0110 0 | |
| 100 A 6 SER O O -0.510000 15.9990 0 | |
| 101 A 7 SER N NH1 -0.470000 14.0070 0 | |
| 102 A 7 SER HN H 0.310000 1.0080 0 | |
| 103 A 7 SER CA CT1 0.070000 12.0110 0 | |
| 104 A 7 SER HA HB1 0.090000 1.0080 0 | |
| 105 A 7 SER CB CT2 0.050000 12.0110 0 | |
| 106 A 7 SER HB1 HA2 0.090000 1.0080 0 | |
| 107 A 7 SER HB2 HA2 0.090000 1.0080 0 | |
| 108 A 7 SER OG OH1 -0.660000 15.9990 0 | |
| 109 A 7 SER HG1 H 0.430000 1.0080 0 | |
| 110 A 7 SER C C 0.510000 12.0110 0 | |
| 111 A 7 SER O O -0.510000 15.9990 0 | |
| 112 A 8 PRO N N -0.290000 14.0070 0 | |
| 113 A 8 PRO CD CP3 0.000000 12.0110 0 | |
| 114 A 8 PRO HD1 HA2 0.090000 1.0080 0 | |
| 115 A 8 PRO HD2 HA2 0.090000 1.0080 0 | |
| 116 A 8 PRO CA CP1 0.020000 12.0110 0 | |
| 117 A 8 PRO HA HB1 0.090000 1.0080 0 | |
| 118 A 8 PRO CB CP2 -0.180000 12.0110 0 | |
| 119 A 8 PRO HB1 HA2 0.090000 1.0080 0 | |
| 120 A 8 PRO HB2 HA2 0.090000 1.0080 0 | |
| 121 A 8 PRO CG CP2 -0.180000 12.0110 0 | |
| 122 A 8 PRO HG1 HA2 0.090000 1.0080 0 | |
| 123 A 8 PRO HG2 HA2 0.090000 1.0080 0 | |
| 124 A 8 PRO C C 0.510000 12.0110 0 | |
| 125 A 8 PRO O O -0.510000 15.9990 0 | |
| 126 A 9 ILE N NH1 -0.470000 14.0070 0 | |
| 127 A 9 ILE HN H 0.310000 1.0080 0 | |
| 128 A 9 ILE CA CT1 0.070000 12.0110 0 | |
| 129 A 9 ILE HA HB1 0.090000 1.0080 0 | |
| 130 A 9 ILE CB CT1 -0.090000 12.0110 0 | |
| 131 A 9 ILE HB HA1 0.090000 1.0080 0 | |
| 132 A 9 ILE CG2 CT3 -0.270000 12.0110 0 | |
| 133 A 9 ILE HG21 HA3 0.090000 1.0080 0 | |
| 134 A 9 ILE HG22 HA3 0.090000 1.0080 0 | |
| 135 A 9 ILE HG23 HA3 0.090000 1.0080 0 | |
| 136 A 9 ILE CG1 CT2 -0.180000 12.0110 0 | |
| 137 A 9 ILE HG11 HA2 0.090000 1.0080 0 | |
| 138 A 9 ILE HG12 HA2 0.090000 1.0080 0 | |
| 139 A 9 ILE CD CT3 -0.270000 12.0110 0 | |
| 140 A 9 ILE HD1 HA3 0.090000 1.0080 0 | |
| 141 A 9 ILE HD2 HA3 0.090000 1.0080 0 | |
| 142 A 9 ILE HD3 HA3 0.090000 1.0080 0 | |
| 143 A 9 ILE C C 0.510000 12.0110 0 | |
| 144 A 9 ILE O O -0.510000 15.9990 0 | |
| 145 A 10 TYR N NH1 -0.470000 14.0070 0 | |
| 146 A 10 TYR HN H 0.310000 1.0080 0 | |
| 147 A 10 TYR CA CT1 0.070000 12.0110 0 | |
| 148 A 10 TYR HA HB1 0.090000 1.0080 0 | |
| 149 A 10 TYR CB CT2 -0.180000 12.0110 0 | |
| 150 A 10 TYR HB1 HA2 0.090000 1.0080 0 | |
| 151 A 10 TYR HB2 HA2 0.090000 1.0080 0 | |
| 152 A 10 TYR CG CA 0.000000 12.0110 0 | |
| 153 A 10 TYR CD1 CA -0.115000 12.0110 0 | |
| 154 A 10 TYR HD1 HP 0.115000 1.0080 0 | |
| 155 A 10 TYR CE1 CA -0.115000 12.0110 0 | |
| 156 A 10 TYR HE1 HP 0.115000 1.0080 0 | |
| 157 A 10 TYR CZ CA 0.110000 12.0110 0 | |
| 158 A 10 TYR OH OH1 -0.540000 15.9990 0 | |
| 159 A 10 TYR HH H 0.430000 1.0080 0 | |
| 160 A 10 TYR CD2 CA -0.115000 12.0110 0 | |
| 161 A 10 TYR HD2 HP 0.115000 1.0080 0 | |
| 162 A 10 TYR CE2 CA -0.115000 12.0110 0 | |
| 163 A 10 TYR HE2 HP 0.115000 1.0080 0 | |
| 164 A 10 TYR C C 0.510000 12.0110 0 | |
| 165 A 10 TYR O O -0.510000 15.9990 0 | |
| 166 A 11 ASP N NH1 -0.470000 14.0070 0 | |
| 167 A 11 ASP HN H 0.310000 1.0080 0 | |
| 168 A 11 ASP CA CT1 0.070000 12.0110 0 | |
| 169 A 11 ASP HA HB1 0.090000 1.0080 0 | |
| 170 A 11 ASP CB CT2A -0.280000 12.0110 0 | |
| 171 A 11 ASP HB1 HA2 0.090000 1.0080 0 | |
| 172 A 11 ASP HB2 HA2 0.090000 1.0080 0 | |
| 173 A 11 ASP CG CC 0.620000 12.0110 0 | |
| 174 A 11 ASP OD1 OC -0.760000 15.9990 0 | |
| 175 A 11 ASP OD2 OC -0.760000 15.9990 0 | |
| 176 A 11 ASP C C 0.510000 12.0110 0 | |
| 177 A 11 ASP O O -0.510000 15.9990 0 | |
| 178 A 12 ILE N NH1 -0.470000 14.0070 0 | |
| 179 A 12 ILE HN H 0.310000 1.0080 0 | |
| 180 A 12 ILE CA CT1 0.070000 12.0110 0 | |
| 181 A 12 ILE HA HB1 0.090000 1.0080 0 | |
| 182 A 12 ILE CB CT1 -0.090000 12.0110 0 | |
| 183 A 12 ILE HB HA1 0.090000 1.0080 0 | |
| 184 A 12 ILE CG2 CT3 -0.270000 12.0110 0 | |
| 185 A 12 ILE HG21 HA3 0.090000 1.0080 0 | |
| 186 A 12 ILE HG22 HA3 0.090000 1.0080 0 | |
| 187 A 12 ILE HG23 HA3 0.090000 1.0080 0 | |
| 188 A 12 ILE CG1 CT2 -0.180000 12.0110 0 | |
| 189 A 12 ILE HG11 HA2 0.090000 1.0080 0 | |
| 190 A 12 ILE HG12 HA2 0.090000 1.0080 0 | |
| 191 A 12 ILE CD CT3 -0.270000 12.0110 0 | |
| 192 A 12 ILE HD1 HA3 0.090000 1.0080 0 | |
| 193 A 12 ILE HD2 HA3 0.090000 1.0080 0 | |
| 194 A 12 ILE HD3 HA3 0.090000 1.0080 0 | |
| 195 A 12 ILE C C 0.510000 12.0110 0 | |
| 196 A 12 ILE O O -0.510000 15.9990 0 | |
| 197 A 13 ASN N NH1 -0.470000 14.0070 0 | |
| 198 A 13 ASN HN H 0.310000 1.0080 0 | |
| 199 A 13 ASN CA CT1 0.070000 12.0110 0 | |
| 200 A 13 ASN HA HB1 0.090000 1.0080 0 | |
| 201 A 13 ASN CB CT2 -0.180000 12.0110 0 | |
| 202 A 13 ASN HB1 HA2 0.090000 1.0080 0 | |
| 203 A 13 ASN HB2 HA2 0.090000 1.0080 0 | |
| 204 A 13 ASN CG CC 0.550000 12.0110 0 | |
| 205 A 13 ASN OD1 O -0.550000 15.9990 0 | |
| 206 A 13 ASN ND2 NH2 -0.620000 14.0070 0 | |
| 207 A 13 ASN HD21 H 0.320000 1.0080 0 | |
| 208 A 13 ASN HD22 H 0.300000 1.0080 0 | |
| 209 A 13 ASN C C 0.510000 12.0110 0 | |
| 210 A 13 ASN O O -0.510000 15.9990 0 | |
| 211 A 14 TYR N NH1 -0.470000 14.0070 0 | |
| 212 A 14 TYR HN H 0.310000 1.0080 0 | |
| 213 A 14 TYR CA CT1 0.070000 12.0110 0 | |
| 214 A 14 TYR HA HB1 0.090000 1.0080 0 | |
| 215 A 14 TYR CB CT2 -0.180000 12.0110 0 | |
| 216 A 14 TYR HB1 HA2 0.090000 1.0080 0 | |
| 217 A 14 TYR HB2 HA2 0.090000 1.0080 0 | |
| 218 A 14 TYR CG CA 0.000000 12.0110 0 | |
| 219 A 14 TYR CD1 CA -0.115000 12.0110 0 | |
| 220 A 14 TYR HD1 HP 0.115000 1.0080 0 | |
| 221 A 14 TYR CE1 CA -0.115000 12.0110 0 | |
| 222 A 14 TYR HE1 HP 0.115000 1.0080 0 | |
| 223 A 14 TYR CZ CA 0.110000 12.0110 0 | |
| 224 A 14 TYR OH OH1 -0.540000 15.9990 0 | |
| 225 A 14 TYR HH H 0.430000 1.0080 0 | |
| 226 A 14 TYR CD2 CA -0.115000 12.0110 0 | |
| 227 A 14 TYR HD2 HP 0.115000 1.0080 0 | |
| 228 A 14 TYR CE2 CA -0.115000 12.0110 0 | |
| 229 A 14 TYR HE2 HP 0.115000 1.0080 0 | |
| 230 A 14 TYR C C 0.510000 12.0110 0 | |
| 231 A 14 TYR O O -0.510000 15.9990 0 | |
| 232 A 15 TYR N NH1 -0.470000 14.0070 0 | |
| 233 A 15 TYR HN H 0.310000 1.0080 0 | |
| 234 A 15 TYR CA CT1 0.070000 12.0110 0 | |
| 235 A 15 TYR HA HB1 0.090000 1.0080 0 | |
| 236 A 15 TYR CB CT2 -0.180000 12.0110 0 | |
| 237 A 15 TYR HB1 HA2 0.090000 1.0080 0 | |
| 238 A 15 TYR HB2 HA2 0.090000 1.0080 0 | |
| 239 A 15 TYR CG CA 0.000000 12.0110 0 | |
| 240 A 15 TYR CD1 CA -0.115000 12.0110 0 | |
| 241 A 15 TYR HD1 HP 0.115000 1.0080 0 | |
| 242 A 15 TYR CE1 CA -0.115000 12.0110 0 | |
| 243 A 15 TYR HE1 HP 0.115000 1.0080 0 | |
| 244 A 15 TYR CZ CA 0.110000 12.0110 0 | |
| 245 A 15 TYR OH OH1 -0.540000 15.9990 0 | |
| 246 A 15 TYR HH H 0.430000 1.0080 0 | |
| 247 A 15 TYR CD2 CA -0.115000 12.0110 0 | |
| 248 A 15 TYR HD2 HP 0.115000 1.0080 0 | |
| 249 A 15 TYR CE2 CA -0.115000 12.0110 0 | |
| 250 A 15 TYR HE2 HP 0.115000 1.0080 0 | |
| 251 A 15 TYR C C 0.510000 12.0110 0 | |
| 252 A 15 TYR O O -0.510000 15.9990 0 | |
| 253 A 16 THR N NH1 -0.470000 14.0070 0 | |
| 254 A 16 THR HN H 0.310000 1.0080 0 | |
| 255 A 16 THR CA CT1 0.070000 12.0110 0 | |
| 256 A 16 THR HA HB1 0.090000 1.0080 0 | |
| 257 A 16 THR CB CT1 0.140000 12.0110 0 | |
| 258 A 16 THR HB HA1 0.090000 1.0080 0 | |
| 259 A 16 THR OG1 OH1 -0.660000 15.9990 0 | |
| 260 A 16 THR HG1 H 0.430000 1.0080 0 | |
| 261 A 16 THR CG2 CT3 -0.270000 12.0110 0 | |
| 262 A 16 THR HG21 HA3 0.090000 1.0080 0 | |
| 263 A 16 THR HG22 HA3 0.090000 1.0080 0 | |
| 264 A 16 THR HG23 HA3 0.090000 1.0080 0 | |
| 265 A 16 THR C C 0.510000 12.0110 0 | |
| 266 A 16 THR O O -0.510000 15.9990 0 | |
| 267 A 17 SER N NH1 -0.470000 14.0070 0 | |
| 268 A 17 SER HN H 0.310000 1.0080 0 | |
| 269 A 17 SER CA CT1 0.070000 12.0110 0 | |
| 270 A 17 SER HA HB1 0.090000 1.0080 0 | |
| 271 A 17 SER CB CT2 0.050000 12.0110 0 | |
| 272 A 17 SER HB1 HA2 0.090000 1.0080 0 | |
| 273 A 17 SER HB2 HA2 0.090000 1.0080 0 | |
| 274 A 17 SER OG OH1 -0.660000 15.9990 0 | |
| 275 A 17 SER HG1 H 0.430000 1.0080 0 | |
| 276 A 17 SER C C 0.510000 12.0110 0 | |
| 277 A 17 SER O O -0.510000 15.9990 0 | |
| 278 A 18 GLU N NH1 -0.470000 14.0070 0 | |
| 279 A 18 GLU HN H 0.310000 1.0080 0 | |
| 280 A 18 GLU CA CT1 0.070000 12.0110 0 | |
| 281 A 18 GLU HA HB1 0.090000 1.0080 0 | |
| 282 A 18 GLU CB CT2A -0.180000 12.0110 0 | |
| 283 A 18 GLU HB1 HA2 0.090000 1.0080 0 | |
| 284 A 18 GLU HB2 HA2 0.090000 1.0080 0 | |
| 285 A 18 GLU CG CT2 -0.280000 12.0110 0 | |
| 286 A 18 GLU HG1 HA2 0.090000 1.0080 0 | |
| 287 A 18 GLU HG2 HA2 0.090000 1.0080 0 | |
| 288 A 18 GLU CD CC 0.620000 12.0110 0 | |
| 289 A 18 GLU OE1 OC -0.760000 15.9990 0 | |
| 290 A 18 GLU OE2 OC -0.760000 15.9990 0 | |
| 291 A 18 GLU C C 0.510000 12.0110 0 | |
| 292 A 18 GLU O O -0.510000 15.9990 0 | |
| 293 A 19 PRO N N -0.290000 14.0070 0 | |
| 294 A 19 PRO CD CP3 0.000000 12.0110 0 | |
| 295 A 19 PRO HD1 HA2 0.090000 1.0080 0 | |
| 296 A 19 PRO HD2 HA2 0.090000 1.0080 0 | |
| 297 A 19 PRO CA CP1 0.020000 12.0110 0 | |
| 298 A 19 PRO HA HB1 0.090000 1.0080 0 | |
| 299 A 19 PRO CB CP2 -0.180000 12.0110 0 | |
| 300 A 19 PRO HB1 HA2 0.090000 1.0080 0 | |
| 301 A 19 PRO HB2 HA2 0.090000 1.0080 0 | |
| 302 A 19 PRO CG CP2 -0.180000 12.0110 0 | |
| 303 A 19 PRO HG1 HA2 0.090000 1.0080 0 | |
| 304 A 19 PRO HG2 HA2 0.090000 1.0080 0 | |
| 305 A 19 PRO C C 0.510000 12.0110 0 | |
| 306 A 19 PRO O O -0.510000 15.9990 0 | |
| 307 A 20 CYS N NH1 -0.470000 14.0070 0 | |
| 308 A 20 CYS HN H 0.310000 1.0080 0 | |
| 309 A 20 CYS CA CT1 0.070000 12.0110 0 | |
| 310 A 20 CYS HA HB1 0.090000 1.0080 0 | |
| 311 A 20 CYS CB CT2 -0.110000 12.0110 0 | |
| 312 A 20 CYS HB1 HA2 0.090000 1.0080 0 | |
| 313 A 20 CYS HB2 HA2 0.090000 1.0080 0 | |
| 314 A 20 CYS SG S -0.230000 32.0600 0 | |
| 315 A 20 CYS HG1 HS 0.160000 1.0080 0 | |
| 316 A 20 CYS C C 0.510000 12.0110 0 | |
| 317 A 20 CYS O O -0.510000 15.9990 0 | |
| 318 A 21 GLN N NH1 -0.470000 14.0070 0 | |
| 319 A 21 GLN HN H 0.310000 1.0080 0 | |
| 320 A 21 GLN CA CT1 0.070000 12.0110 0 | |
| 321 A 21 GLN HA HB1 0.090000 1.0080 0 | |
| 322 A 21 GLN CB CT2 -0.180000 12.0110 0 | |
| 323 A 21 GLN HB1 HA2 0.090000 1.0080 0 | |
| 324 A 21 GLN HB2 HA2 0.090000 1.0080 0 | |
| 325 A 21 GLN CG CT2 -0.180000 12.0110 0 | |
| 326 A 21 GLN HG1 HA2 0.090000 1.0080 0 | |
| 327 A 21 GLN HG2 HA2 0.090000 1.0080 0 | |
| 328 A 21 GLN CD CC 0.550000 12.0110 0 | |
| 329 A 21 GLN OE1 O -0.550000 15.9990 0 | |
| 330 A 21 GLN NE2 NH2 -0.620000 14.0070 0 | |
| 331 A 21 GLN HE21 H 0.320000 1.0080 0 | |
| 332 A 21 GLN HE22 H 0.300000 1.0080 0 | |
| 333 A 21 GLN C C 0.510000 12.0110 0 | |
| 334 A 21 GLN O O -0.510000 15.9990 0 | |
| 335 A 22 LYS N NH1 -0.470000 14.0070 0 | |
| 336 A 22 LYS HN H 0.310000 1.0080 0 | |
| 337 A 22 LYS CA CT1 0.070000 12.0110 0 | |
| 338 A 22 LYS HA HB1 0.090000 1.0080 0 | |
| 339 A 22 LYS CB CT2 -0.180000 12.0110 0 | |
| 340 A 22 LYS HB1 HA2 0.090000 1.0080 0 | |
| 341 A 22 LYS HB2 HA2 0.090000 1.0080 0 | |
| 342 A 22 LYS CG CT2 -0.180000 12.0110 0 | |
| 343 A 22 LYS HG1 HA2 0.090000 1.0080 0 | |
| 344 A 22 LYS HG2 HA2 0.090000 1.0080 0 | |
| 345 A 22 LYS CD CT2 -0.180000 12.0110 0 | |
| 346 A 22 LYS HD1 HA2 0.090000 1.0080 0 | |
| 347 A 22 LYS HD2 HA2 0.090000 1.0080 0 | |
| 348 A 22 LYS CE CT2 0.210000 12.0110 0 | |
| 349 A 22 LYS HE1 HA2 0.050000 1.0080 0 | |
| 350 A 22 LYS HE2 HA2 0.050000 1.0080 0 | |
| 351 A 22 LYS NZ NH3 -0.300000 14.0070 0 | |
| 352 A 22 LYS HZ1 HC 0.330000 1.0080 0 | |
| 353 A 22 LYS HZ2 HC 0.330000 1.0080 0 | |
| 354 A 22 LYS HZ3 HC 0.330000 1.0080 0 | |
| 355 A 22 LYS C C 0.510000 12.0110 0 | |
| 356 A 22 LYS O O -0.510000 15.9990 0 | |
| 357 A 23 ILE N NH1 -0.470000 14.0070 0 | |
| 358 A 23 ILE HN H 0.310000 1.0080 0 | |
| 359 A 23 ILE CA CT1 0.070000 12.0110 0 | |
| 360 A 23 ILE HA HB1 0.090000 1.0080 0 | |
| 361 A 23 ILE CB CT1 -0.090000 12.0110 0 | |
| 362 A 23 ILE HB HA1 0.090000 1.0080 0 | |
| 363 A 23 ILE CG2 CT3 -0.270000 12.0110 0 | |
| 364 A 23 ILE HG21 HA3 0.090000 1.0080 0 | |
| 365 A 23 ILE HG22 HA3 0.090000 1.0080 0 | |
| 366 A 23 ILE HG23 HA3 0.090000 1.0080 0 | |
| 367 A 23 ILE CG1 CT2 -0.180000 12.0110 0 | |
| 368 A 23 ILE HG11 HA2 0.090000 1.0080 0 | |
| 369 A 23 ILE HG12 HA2 0.090000 1.0080 0 | |
| 370 A 23 ILE CD CT3 -0.270000 12.0110 0 | |
| 371 A 23 ILE HD1 HA3 0.090000 1.0080 0 | |
| 372 A 23 ILE HD2 HA3 0.090000 1.0080 0 | |
| 373 A 23 ILE HD3 HA3 0.090000 1.0080 0 | |
| 374 A 23 ILE C C 0.510000 12.0110 0 | |
| 375 A 23 ILE O O -0.510000 15.9990 0 | |
| 376 A 24 ASN N NH1 -0.470000 14.0070 0 | |
| 377 A 24 ASN HN H 0.310000 1.0080 0 | |
| 378 A 24 ASN CA CT1 0.070000 12.0110 0 | |
| 379 A 24 ASN HA HB1 0.090000 1.0080 0 | |
| 380 A 24 ASN CB CT2 -0.180000 12.0110 0 | |
| 381 A 24 ASN HB1 HA2 0.090000 1.0080 0 | |
| 382 A 24 ASN HB2 HA2 0.090000 1.0080 0 | |
| 383 A 24 ASN CG CC 0.550000 12.0110 0 | |
| 384 A 24 ASN OD1 O -0.550000 15.9990 0 | |
| 385 A 24 ASN ND2 NH2 -0.620000 14.0070 0 | |
| 386 A 24 ASN HD21 H 0.320000 1.0080 0 | |
| 387 A 24 ASN HD22 H 0.300000 1.0080 0 | |
| 388 A 24 ASN C C 0.510000 12.0110 0 | |
| 389 A 24 ASN O O -0.510000 15.9990 0 | |
| 390 A 25 VAL N NH1 -0.470000 14.0070 0 | |
| 391 A 25 VAL HN H 0.310000 1.0080 0 | |
| 392 A 25 VAL CA CT1 0.070000 12.0110 0 | |
| 393 A 25 VAL HA HB1 0.090000 1.0080 0 | |
| 394 A 25 VAL CB CT1 -0.090000 12.0110 0 | |
| 395 A 25 VAL HB HA1 0.090000 1.0080 0 | |
| 396 A 25 VAL CG1 CT3 -0.270000 12.0110 0 | |
| 397 A 25 VAL HG11 HA3 0.090000 1.0080 0 | |
| 398 A 25 VAL HG12 HA3 0.090000 1.0080 0 | |
| 399 A 25 VAL HG13 HA3 0.090000 1.0080 0 | |
| 400 A 25 VAL CG2 CT3 -0.270000 12.0110 0 | |
| 401 A 25 VAL HG21 HA3 0.090000 1.0080 0 | |
| 402 A 25 VAL HG22 HA3 0.090000 1.0080 0 | |
| 403 A 25 VAL HG23 HA3 0.090000 1.0080 0 | |
| 404 A 25 VAL C C 0.510000 12.0110 0 | |
| 405 A 25 VAL O O -0.510000 15.9990 0 | |
| 406 A 26 LYS N NH1 -0.470000 14.0070 0 | |
| 407 A 26 LYS HN H 0.310000 1.0080 0 | |
| 408 A 26 LYS CA CT1 0.070000 12.0110 0 | |
| 409 A 26 LYS HA HB1 0.090000 1.0080 0 | |
| 410 A 26 LYS CB CT2 -0.180000 12.0110 0 | |
| 411 A 26 LYS HB1 HA2 0.090000 1.0080 0 | |
| 412 A 26 LYS HB2 HA2 0.090000 1.0080 0 | |
| 413 A 26 LYS CG CT2 -0.180000 12.0110 0 | |
| 414 A 26 LYS HG1 HA2 0.090000 1.0080 0 | |
| 415 A 26 LYS HG2 HA2 0.090000 1.0080 0 | |
| 416 A 26 LYS CD CT2 -0.180000 12.0110 0 | |
| 417 A 26 LYS HD1 HA2 0.090000 1.0080 0 | |
| 418 A 26 LYS HD2 HA2 0.090000 1.0080 0 | |
| 419 A 26 LYS CE CT2 0.210000 12.0110 0 | |
| 420 A 26 LYS HE1 HA2 0.050000 1.0080 0 | |
| 421 A 26 LYS HE2 HA2 0.050000 1.0080 0 | |
| 422 A 26 LYS NZ NH3 -0.300000 14.0070 0 | |
| 423 A 26 LYS HZ1 HC 0.330000 1.0080 0 | |
| 424 A 26 LYS HZ2 HC 0.330000 1.0080 0 | |
| 425 A 26 LYS HZ3 HC 0.330000 1.0080 0 | |
| 426 A 26 LYS C C 0.510000 12.0110 0 | |
| 427 A 26 LYS O O -0.510000 15.9990 0 | |
| 428 A 27 GLN N NH1 -0.470000 14.0070 0 | |
| 429 A 27 GLN HN H 0.310000 1.0080 0 | |
| 430 A 27 GLN CA CT1 0.070000 12.0110 0 | |
| 431 A 27 GLN HA HB1 0.090000 1.0080 0 | |
| 432 A 27 GLN CB CT2 -0.180000 12.0110 0 | |
| 433 A 27 GLN HB1 HA2 0.090000 1.0080 0 | |
| 434 A 27 GLN HB2 HA2 0.090000 1.0080 0 | |
| 435 A 27 GLN CG CT2 -0.180000 12.0110 0 | |
| 436 A 27 GLN HG1 HA2 0.090000 1.0080 0 | |
| 437 A 27 GLN HG2 HA2 0.090000 1.0080 0 | |
| 438 A 27 GLN CD CC 0.550000 12.0110 0 | |
| 439 A 27 GLN OE1 O -0.550000 15.9990 0 | |
| 440 A 27 GLN NE2 NH2 -0.620000 14.0070 0 | |
| 441 A 27 GLN HE21 H 0.320000 1.0080 0 | |
| 442 A 27 GLN HE22 H 0.300000 1.0080 0 | |
| 443 A 27 GLN C C 0.510000 12.0110 0 | |
| 444 A 27 GLN O O -0.510000 15.9990 0 | |
| 445 A 27 GLN NT NH1 -0.470000 14.0070 0 | |
| 446 A 27 GLN HNT H 0.310000 1.0080 0 | |
| 447 A 27 GLN CAT CT3 -0.110000 12.0110 0 | |
| 448 A 27 GLN HT1 HA3 0.090000 1.0080 0 | |
| 449 A 27 GLN HT2 HA3 0.090000 1.0080 0 | |
| 450 A 27 GLN HT3 HA3 0.090000 1.0080 0 | |
| 455 !NBOND: bonds | |
| 1 2 1 3 1 4 5 1 | |
| 5 7 6 5 7 8 7 9 | |
| 9 10 11 9 11 12 11 13 | |
| 14 11 14 15 14 16 17 14 | |
| 18 17 18 19 18 20 18 21 | |
| 22 9 22 24 23 22 24 25 | |
| 24 26 26 27 28 26 28 29 | |
| 28 30 31 28 31 32 33 31 | |
| 34 26 34 36 35 34 36 37 | |
| 36 38 38 39 40 38 40 41 | |
| 40 42 43 40 44 45 44 43 | |
| 46 44 46 47 46 48 48 53 | |
| 49 48 49 50 51 43 51 52 | |
| 53 54 53 51 55 38 55 57 | |
| 56 55 57 58 57 59 59 60 | |
| 61 59 61 62 61 63 64 61 | |
| 64 65 64 66 67 64 67 68 | |
| 69 67 69 70 69 71 72 59 | |
| 72 74 73 72 74 75 74 76 | |
| 76 77 78 76 78 79 80 78 | |
| 80 81 80 82 80 83 84 78 | |
| 84 85 84 86 84 87 88 76 | |
| 88 90 89 88 90 91 90 92 | |
| 92 93 94 92 94 95 94 96 | |
| 97 94 97 98 99 92 99 101 | |
| 100 99 101 102 101 103 103 104 | |
| 105 103 105 106 105 107 108 105 | |
| 108 109 110 103 110 112 111 110 | |
| 112 116 112 113 114 113 115 113 | |
| 116 118 117 116 118 121 119 118 | |
| 120 118 121 113 122 121 123 121 | |
| 124 116 124 126 125 124 126 127 | |
| 126 128 128 129 130 128 130 131 | |
| 132 130 132 133 132 134 132 135 | |
| 136 130 136 137 136 138 139 136 | |
| 139 140 139 141 139 142 143 128 | |
| 143 145 144 143 145 146 145 147 | |
| 147 148 149 147 149 150 149 151 | |
| 152 149 153 154 153 152 155 153 | |
| 155 156 155 157 157 162 158 157 | |
| 158 159 160 152 160 161 162 163 | |
| 162 160 164 147 164 166 165 164 | |
| 166 167 166 168 168 169 170 168 | |
| 170 171 170 172 173 170 173 174 | |
| 175 173 176 168 176 178 177 176 | |
| 178 179 178 180 180 181 182 180 | |
| 182 183 184 182 184 185 184 186 | |
| 184 187 188 182 188 189 188 190 | |
| 191 188 191 192 191 193 191 194 | |
| 195 180 195 197 196 195 197 198 | |
| 197 199 199 200 201 199 201 202 | |
| 201 203 204 201 204 205 206 204 | |
| 206 207 206 208 209 199 209 211 | |
| 209 210 211 212 211 213 213 214 | |
| 215 213 215 216 215 217 218 215 | |
| 219 220 219 218 221 219 221 222 | |
| 221 223 223 228 224 223 224 225 | |
| 226 218 226 227 228 229 228 226 | |
| 230 213 230 232 231 230 232 233 | |
| 232 234 234 235 236 234 236 237 | |
| 236 238 239 236 240 241 240 239 | |
| 242 240 242 243 242 244 244 249 | |
| 245 244 245 246 247 239 247 248 | |
| 249 250 249 247 251 234 251 253 | |
| 252 251 253 254 253 255 255 256 | |
| 257 255 257 258 259 257 259 260 | |
| 261 257 261 262 261 263 261 264 | |
| 265 255 265 267 266 265 267 268 | |
| 267 269 269 270 271 269 271 272 | |
| 271 273 274 271 274 275 276 269 | |
| 276 278 277 276 278 279 278 280 | |
| 280 281 282 280 282 283 282 284 | |
| 285 282 285 286 285 287 288 285 | |
| 288 289 290 288 291 280 291 293 | |
| 292 291 293 297 293 294 295 294 | |
| 296 294 297 299 298 297 299 302 | |
| 300 299 301 299 302 294 303 302 | |
| 304 302 305 297 305 307 306 305 | |
| 307 308 307 309 309 310 311 309 | |
| 311 312 311 313 314 311 314 315 | |
| 316 309 316 318 317 316 318 319 | |
| 318 320 320 321 322 320 322 323 | |
| 322 324 325 322 325 326 325 327 | |
| 328 325 328 329 330 328 330 331 | |
| 330 332 333 320 333 335 334 333 | |
| 335 336 335 337 337 338 339 337 | |
| 339 340 339 341 342 339 342 343 | |
| 342 344 345 342 345 346 345 347 | |
| 348 345 348 349 348 350 351 348 | |
| 351 352 351 353 351 354 355 337 | |
| 355 357 356 355 357 358 357 359 | |
| 359 360 361 359 361 362 363 361 | |
| 363 364 363 365 363 366 367 361 | |
| 367 368 367 369 370 367 370 371 | |
| 370 372 370 373 374 359 374 376 | |
| 375 374 376 377 376 378 378 379 | |
| 380 378 380 381 380 382 383 380 | |
| 383 384 385 383 385 386 385 387 | |
| 388 378 388 390 388 389 390 391 | |
| 390 392 392 393 394 392 394 395 | |
| 396 394 396 397 396 398 396 399 | |
| 400 394 400 401 400 402 400 403 | |
| 404 392 404 406 405 404 406 407 | |
| 406 408 408 409 410 408 410 411 | |
| 410 412 413 410 413 414 413 415 | |
| 416 413 416 417 416 418 419 416 | |
| 419 420 419 421 422 419 422 423 | |
| 422 424 422 425 426 408 426 428 | |
| 427 426 428 429 428 430 430 431 | |
| 432 430 432 433 432 434 435 432 | |
| 435 436 435 437 438 435 438 439 | |
| 440 438 440 441 440 442 443 445 | |
| 443 430 444 443 445 446 445 447 | |
| 447 448 447 449 447 450 | |
| 817 !NTHETA: angles | |
| 1 5 6 1 5 7 2 1 4 | |
| 2 1 3 3 1 4 5 7 9 | |
| 5 7 8 5 1 4 5 1 3 | |
| 5 1 2 7 9 10 7 9 22 | |
| 7 5 6 8 7 9 9 22 23 | |
| 9 22 24 9 11 13 9 11 12 | |
| 9 11 14 11 14 16 11 14 15 | |
| 11 14 17 11 9 10 11 9 22 | |
| 11 9 7 12 11 13 14 17 18 | |
| 14 11 13 14 11 12 15 14 16 | |
| 17 18 21 17 18 20 17 18 19 | |
| 17 14 16 17 14 15 19 18 21 | |
| 19 18 20 20 18 21 22 9 10 | |
| 24 26 27 24 26 34 24 22 23 | |
| 25 24 22 25 24 26 26 34 35 | |
| 26 34 36 26 28 30 26 28 29 | |
| 26 28 31 26 24 22 28 31 32 | |
| 28 31 33 28 26 27 28 26 34 | |
| 28 26 24 29 28 30 31 28 30 | |
| 31 28 29 33 31 32 34 26 27 | |
| 36 38 39 36 38 55 36 34 35 | |
| 37 36 34 37 36 38 38 55 56 | |
| 38 55 57 38 40 42 38 40 41 | |
| 38 40 43 38 36 34 40 43 44 | |
| 40 43 51 40 38 39 40 38 55 | |
| 40 38 36 41 40 42 43 51 53 | |
| 43 51 52 43 40 42 43 40 41 | |
| 44 46 48 44 46 47 45 44 43 | |
| 46 44 43 46 44 45 47 46 48 | |
| 48 53 51 48 53 54 48 49 50 | |
| 49 48 46 51 43 44 52 51 53 | |
| 53 48 46 53 48 49 54 53 51 | |
| 55 38 39 57 59 60 57 59 72 | |
| 57 55 56 58 57 55 58 57 59 | |
| 59 72 73 59 72 74 59 61 63 | |
| 59 61 62 59 61 64 59 57 55 | |
| 61 64 66 61 64 65 61 64 67 | |
| 61 59 60 61 59 72 61 59 57 | |
| 62 61 63 64 67 68 64 67 69 | |
| 64 61 63 64 61 62 65 64 66 | |
| 67 69 71 67 69 70 67 64 66 | |
| 67 64 65 69 67 68 70 69 71 | |
| 72 59 60 74 76 77 74 76 88 | |
| 74 72 73 75 74 72 75 74 76 | |
| 76 88 89 76 88 90 76 78 79 | |
| 76 78 84 76 78 80 76 74 72 | |
| 78 84 87 78 84 86 78 84 85 | |
| 78 80 83 78 80 82 78 80 81 | |
| 78 76 77 78 76 88 78 76 74 | |
| 80 78 79 80 78 84 81 80 83 | |
| 81 80 82 82 80 83 84 78 79 | |
| 85 84 87 85 84 86 86 84 87 | |
| 88 76 77 90 92 93 90 92 99 | |
| 90 88 89 91 90 88 91 90 92 | |
| 92 99 100 92 99 101 92 94 96 | |
| 92 94 95 92 94 97 92 90 88 | |
| 94 97 98 94 92 93 94 92 99 | |
| 94 92 90 95 94 96 97 94 96 | |
| 97 94 95 99 92 93 101 103 104 | |
| 101 103 110 101 99 100 102 101 99 | |
| 102 101 103 103 110 111 103 110 112 | |
| 103 105 107 103 105 106 103 105 108 | |
| 103 101 99 105 108 109 105 103 104 | |
| 105 103 110 105 103 101 106 105 107 | |
| 108 105 107 108 105 106 110 103 104 | |
| 112 116 117 112 116 118 112 113 115 | |
| 112 113 114 112 110 111 113 121 123 | |
| 113 121 122 113 112 110 114 113 115 | |
| 116 124 125 116 124 126 116 118 120 | |
| 116 118 119 116 118 121 116 112 110 | |
| 116 112 113 118 121 123 118 121 122 | |
| 118 121 113 118 116 117 119 118 120 | |
| 121 118 120 121 118 119 121 113 115 | |
| 121 113 114 121 113 112 122 121 123 | |
| 124 116 117 124 116 118 124 116 112 | |
| 126 128 129 126 128 143 126 124 125 | |
| 127 126 124 127 126 128 128 143 144 | |
| 128 143 145 128 130 131 128 130 132 | |
| 128 130 136 128 126 124 130 136 138 | |
| 130 136 137 130 136 139 130 132 135 | |
| 130 132 134 130 132 133 130 128 129 | |
| 130 128 143 130 128 126 132 130 131 | |
| 133 132 135 133 132 134 134 132 135 | |
| 136 139 142 136 139 141 136 139 140 | |
| 136 130 131 136 130 132 137 136 138 | |
| 139 136 138 139 136 137 140 139 142 | |
| 140 139 141 141 139 142 143 128 129 | |
| 145 147 148 145 147 164 145 143 144 | |
| 146 145 143 146 145 147 147 164 165 | |
| 147 164 166 147 149 151 147 149 150 | |
| 147 149 152 147 145 143 149 152 153 | |
| 149 152 160 149 147 148 149 147 164 | |
| 149 147 145 150 149 151 152 160 162 | |
| 152 160 161 152 149 151 152 149 150 | |
| 153 155 157 153 155 156 154 153 152 | |
| 155 153 152 155 153 154 156 155 157 | |
| 157 162 160 157 162 163 157 158 159 | |
| 158 157 155 160 152 153 161 160 162 | |
| 162 157 155 162 157 158 163 162 160 | |
| 164 147 148 166 168 169 166 168 176 | |
| 166 164 165 167 166 164 167 166 168 | |
| 168 176 177 168 176 178 168 170 172 | |
| 168 170 171 168 170 173 168 166 164 | |
| 170 173 174 170 173 175 170 168 169 | |
| 170 168 176 170 168 166 171 170 172 | |
| 173 170 172 173 170 171 175 173 174 | |
| 176 168 169 178 180 181 178 180 195 | |
| 178 176 177 179 178 176 179 178 180 | |
| 180 195 196 180 195 197 180 182 183 | |
| 180 182 184 180 182 188 180 178 176 | |
| 182 188 190 182 188 189 182 188 191 | |
| 182 184 187 182 184 186 182 184 185 | |
| 182 180 181 182 180 195 182 180 178 | |
| 184 182 183 185 184 187 185 184 186 | |
| 186 184 187 188 191 194 188 191 193 | |
| 188 191 192 188 182 183 188 182 184 | |
| 189 188 190 191 188 190 191 188 189 | |
| 192 191 194 192 191 193 193 191 194 | |
| 195 180 181 197 199 200 197 199 209 | |
| 197 195 196 198 197 195 198 197 199 | |
| 199 209 210 199 209 211 199 201 203 | |
| 199 201 202 199 201 204 199 197 195 | |
| 201 204 205 201 204 206 201 199 200 | |
| 201 199 209 201 199 197 202 201 203 | |
| 204 206 208 204 206 207 204 201 203 | |
| 204 201 202 206 204 205 207 206 208 | |
| 209 199 200 211 213 214 211 213 230 | |
| 211 209 210 212 211 209 212 211 213 | |
| 213 230 231 213 230 232 213 215 217 | |
| 213 215 216 213 215 218 213 211 209 | |
| 215 218 219 215 218 226 215 213 214 | |
| 215 213 230 215 213 211 216 215 217 | |
| 218 226 228 218 226 227 218 215 217 | |
| 218 215 216 219 221 223 219 221 222 | |
| 220 219 218 221 219 218 221 219 220 | |
| 222 221 223 223 228 226 223 228 229 | |
| 223 224 225 224 223 221 226 218 219 | |
| 227 226 228 228 223 221 228 223 224 | |
| 229 228 226 230 213 214 232 234 235 | |
| 232 234 251 232 230 231 233 232 230 | |
| 233 232 234 234 251 252 234 251 253 | |
| 234 236 238 234 236 237 234 236 239 | |
| 234 232 230 236 239 240 236 239 247 | |
| 236 234 235 236 234 251 236 234 232 | |
| 237 236 238 239 247 249 239 247 248 | |
| 239 236 238 239 236 237 240 242 244 | |
| 240 242 243 241 240 239 242 240 239 | |
| 242 240 241 243 242 244 244 249 247 | |
| 244 249 250 244 245 246 245 244 242 | |
| 247 239 240 248 247 249 249 244 242 | |
| 249 244 245 250 249 247 251 234 235 | |
| 253 255 256 253 255 265 253 251 252 | |
| 254 253 251 254 253 255 255 265 266 | |
| 255 265 267 255 257 258 255 257 261 | |
| 255 257 259 255 253 251 257 261 264 | |
| 257 261 263 257 261 262 257 259 260 | |
| 257 255 256 257 255 265 257 255 253 | |
| 259 257 258 259 257 261 261 257 258 | |
| 262 261 264 262 261 263 263 261 264 | |
| 265 255 256 267 269 270 267 269 276 | |
| 267 265 266 268 267 265 268 267 269 | |
| 269 276 277 269 276 278 269 271 273 | |
| 269 271 272 269 271 274 269 267 265 | |
| 271 274 275 271 269 270 271 269 276 | |
| 271 269 267 272 271 273 274 271 273 | |
| 274 271 272 276 269 270 278 280 281 | |
| 278 280 291 278 276 277 279 278 276 | |
| 279 278 280 280 291 292 280 291 293 | |
| 280 282 284 280 282 283 280 282 285 | |
| 280 278 276 282 285 287 282 285 286 | |
| 282 285 288 282 280 281 282 280 291 | |
| 282 280 278 283 282 284 285 288 289 | |
| 285 288 290 285 282 284 285 282 283 | |
| 286 285 287 288 285 287 288 285 286 | |
| 290 288 289 291 280 281 293 297 298 | |
| 293 297 299 293 294 296 293 294 295 | |
| 293 291 292 294 302 304 294 302 303 | |
| 294 293 291 295 294 296 297 305 306 | |
| 297 305 307 297 299 301 297 299 300 | |
| 297 299 302 297 293 291 297 293 294 | |
| 299 302 304 299 302 303 299 302 294 | |
| 299 297 298 300 299 301 302 299 301 | |
| 302 299 300 302 294 296 302 294 295 | |
| 302 294 293 303 302 304 305 297 298 | |
| 305 297 299 305 297 293 307 309 310 | |
| 307 309 316 307 305 306 308 307 305 | |
| 308 307 309 309 316 317 309 316 318 | |
| 309 311 313 309 311 312 309 311 314 | |
| 309 307 305 311 314 315 311 309 310 | |
| 311 309 316 311 309 307 312 311 313 | |
| 314 311 313 314 311 312 316 309 310 | |
| 318 320 321 318 320 333 318 316 317 | |
| 319 318 316 319 318 320 320 333 334 | |
| 320 333 335 320 322 324 320 322 323 | |
| 320 322 325 320 318 316 322 325 327 | |
| 322 325 326 322 325 328 322 320 321 | |
| 322 320 333 322 320 318 323 322 324 | |
| 325 328 329 325 328 330 325 322 324 | |
| 325 322 323 326 325 327 328 330 332 | |
| 328 330 331 328 325 327 328 325 326 | |
| 330 328 329 331 330 332 333 320 321 | |
| 335 337 338 335 337 355 335 333 334 | |
| 336 335 333 336 335 337 337 355 356 | |
| 337 355 357 337 339 341 337 339 340 | |
| 337 339 342 337 335 333 339 342 344 | |
| 339 342 343 339 342 345 339 337 338 | |
| 339 337 355 339 337 335 340 339 341 | |
| 342 345 347 342 345 346 342 345 348 | |
| 342 339 341 342 339 340 343 342 344 | |
| 345 348 350 345 348 349 345 348 351 | |
| 345 342 344 345 342 343 346 345 347 | |
| 348 351 354 348 351 353 348 351 352 | |
| 348 345 347 348 345 346 349 348 350 | |
| 351 348 350 351 348 349 352 351 354 | |
| 352 351 353 353 351 354 355 337 338 | |
| 357 359 360 357 359 374 357 355 356 | |
| 358 357 355 358 357 359 359 374 375 | |
| 359 374 376 359 361 362 359 361 363 | |
| 359 361 367 359 357 355 361 367 369 | |
| 361 367 368 361 367 370 361 363 366 | |
| 361 363 365 361 363 364 361 359 360 | |
| 361 359 374 361 359 357 363 361 362 | |
| 364 363 366 364 363 365 365 363 366 | |
| 367 370 373 367 370 372 367 370 371 | |
| 367 361 362 367 361 363 368 367 369 | |
| 370 367 369 370 367 368 371 370 373 | |
| 371 370 372 372 370 373 374 359 360 | |
| 376 378 379 376 378 388 376 374 375 | |
| 377 376 374 377 376 378 378 388 389 | |
| 378 388 390 378 380 382 378 380 381 | |
| 378 380 383 378 376 374 380 383 384 | |
| 380 383 385 380 378 379 380 378 388 | |
| 380 378 376 381 380 382 383 385 387 | |
| 383 385 386 383 380 382 383 380 381 | |
| 385 383 384 386 385 387 388 378 379 | |
| 390 392 393 390 392 404 390 388 389 | |
| 391 390 388 391 390 392 392 404 405 | |
| 392 404 406 392 394 395 392 394 400 | |
| 392 394 396 392 390 388 394 400 403 | |
| 394 400 402 394 400 401 394 396 399 | |
| 394 396 398 394 396 397 394 392 393 | |
| 394 392 404 394 392 390 396 394 395 | |
| 396 394 400 397 396 399 397 396 398 | |
| 398 396 399 400 394 395 401 400 403 | |
| 401 400 402 402 400 403 404 392 393 | |
| 406 408 409 406 408 426 406 404 405 | |
| 407 406 404 407 406 408 408 426 427 | |
| 408 426 428 408 410 412 408 410 411 | |
| 408 410 413 408 406 404 410 413 415 | |
| 410 413 414 410 413 416 410 408 409 | |
| 410 408 426 410 408 406 411 410 412 | |
| 413 416 418 413 416 417 413 416 419 | |
| 413 410 412 413 410 411 414 413 415 | |
| 416 419 421 416 419 420 416 419 422 | |
| 416 413 415 416 413 414 417 416 418 | |
| 419 422 425 419 422 424 419 422 423 | |
| 419 416 418 419 416 417 420 419 421 | |
| 422 419 421 422 419 420 423 422 425 | |
| 423 422 424 424 422 425 426 408 409 | |
| 428 430 431 428 430 443 428 426 427 | |
| 429 428 426 429 428 430 430 443 444 | |
| 430 432 434 430 432 433 430 432 435 | |
| 430 428 426 432 435 437 432 435 436 | |
| 432 435 438 432 430 431 432 430 443 | |
| 432 430 428 433 432 434 435 438 439 | |
| 435 438 440 435 432 434 435 432 433 | |
| 436 435 437 438 440 442 438 440 441 | |
| 438 435 437 438 435 436 440 438 439 | |
| 441 440 442 443 445 447 443 445 446 | |
| 443 430 431 445 447 450 445 447 449 | |
| 445 447 448 445 443 444 445 443 430 | |
| 446 445 447 448 447 450 448 447 449 | |
| 449 447 450 | |
| 1199 !NPHI: dihedrals | |
| 1 5 7 8 1 5 7 9 | |
| 2 1 5 7 2 1 5 6 | |
| 3 1 5 7 3 1 5 6 | |
| 4 1 5 7 4 1 5 6 | |
| 5 7 9 11 5 7 9 22 | |
| 5 7 9 10 6 5 7 8 | |
| 6 5 7 9 7 9 11 14 | |
| 7 9 11 12 7 9 11 13 | |
| 7 9 22 24 7 9 22 23 | |
| 8 7 9 11 8 7 9 22 | |
| 8 7 9 10 9 22 24 25 | |
| 9 22 24 26 9 11 14 17 | |
| 9 11 14 15 9 11 14 16 | |
| 10 9 11 14 10 9 11 12 | |
| 10 9 11 13 10 9 22 24 | |
| 10 9 22 23 11 14 17 18 | |
| 11 9 22 24 11 9 22 23 | |
| 12 11 9 22 12 11 14 17 | |
| 12 11 14 15 12 11 14 16 | |
| 13 11 9 22 13 11 14 17 | |
| 13 11 14 15 13 11 14 16 | |
| 14 17 18 19 14 17 18 20 | |
| 14 17 18 21 14 11 9 22 | |
| 15 14 17 18 16 14 17 18 | |
| 22 24 26 28 22 24 26 34 | |
| 22 24 26 27 23 22 24 25 | |
| 23 22 24 26 24 26 28 31 | |
| 24 26 28 29 24 26 28 30 | |
| 24 26 34 36 24 26 34 35 | |
| 25 24 26 28 25 24 26 34 | |
| 25 24 26 27 26 34 36 37 | |
| 26 34 36 38 26 28 31 33 | |
| 26 28 31 32 27 26 28 31 | |
| 27 26 28 29 27 26 28 30 | |
| 27 26 34 36 27 26 34 35 | |
| 28 26 34 36 28 26 34 35 | |
| 29 28 26 34 29 28 31 33 | |
| 29 28 31 32 30 28 26 34 | |
| 30 28 31 33 30 28 31 32 | |
| 31 28 26 34 34 36 38 40 | |
| 34 36 38 55 34 36 38 39 | |
| 35 34 36 37 35 34 36 38 | |
| 36 38 40 43 36 38 40 41 | |
| 36 38 40 42 36 38 55 57 | |
| 36 38 55 56 37 36 38 40 | |
| 37 36 38 55 37 36 38 39 | |
| 38 55 57 58 38 55 57 59 | |
| 38 40 43 51 38 40 43 44 | |
| 39 38 40 43 39 38 40 41 | |
| 39 38 40 42 39 38 55 57 | |
| 39 38 55 56 40 43 51 52 | |
| 40 43 51 53 40 43 44 46 | |
| 40 43 44 45 40 38 55 57 | |
| 40 38 55 56 41 40 38 55 | |
| 41 40 43 51 41 40 43 44 | |
| 42 40 38 55 42 40 43 51 | |
| 42 40 43 44 43 51 53 48 | |
| 43 51 53 54 43 44 46 47 | |
| 43 44 46 48 43 40 38 55 | |
| 44 46 48 53 44 46 48 49 | |
| 44 43 51 52 44 43 51 53 | |
| 45 44 46 47 45 44 46 48 | |
| 45 44 43 51 46 48 53 54 | |
| 46 48 53 51 46 48 49 50 | |
| 46 44 43 51 47 46 48 53 | |
| 47 46 48 49 48 53 51 52 | |
| 49 48 53 54 49 48 53 51 | |
| 50 49 48 53 52 51 53 54 | |
| 55 57 59 61 55 57 59 72 | |
| 55 57 59 60 56 55 57 58 | |
| 56 55 57 59 57 59 61 64 | |
| 57 59 61 62 57 59 61 63 | |
| 57 59 72 74 57 59 72 73 | |
| 58 57 59 61 58 57 59 72 | |
| 58 57 59 60 59 72 74 75 | |
| 59 72 74 76 59 61 64 67 | |
| 59 61 64 65 59 61 64 66 | |
| 60 59 61 64 60 59 61 62 | |
| 60 59 61 63 60 59 72 74 | |
| 60 59 72 73 61 64 67 69 | |
| 61 64 67 68 61 59 72 74 | |
| 61 59 72 73 62 61 59 72 | |
| 62 61 64 67 62 61 64 65 | |
| 62 61 64 66 63 61 59 72 | |
| 63 61 64 67 63 61 64 65 | |
| 63 61 64 66 64 67 69 70 | |
| 64 67 69 71 64 61 59 72 | |
| 65 64 67 69 65 64 67 68 | |
| 66 64 67 69 66 64 67 68 | |
| 68 67 69 70 68 67 69 71 | |
| 72 74 76 78 72 74 76 88 | |
| 72 74 76 77 73 72 74 75 | |
| 73 72 74 76 74 76 78 80 | |
| 74 76 78 84 74 76 78 79 | |
| 74 76 88 90 74 76 88 89 | |
| 75 74 76 78 75 74 76 88 | |
| 75 74 76 77 76 88 90 91 | |
| 76 88 90 92 76 78 80 81 | |
| 76 78 80 82 76 78 80 83 | |
| 76 78 84 85 76 78 84 86 | |
| 76 78 84 87 77 76 78 80 | |
| 77 76 78 84 77 76 78 79 | |
| 77 76 88 90 77 76 88 89 | |
| 78 76 88 90 78 76 88 89 | |
| 79 78 76 88 79 78 80 81 | |
| 79 78 80 82 79 78 80 83 | |
| 79 78 84 85 79 78 84 86 | |
| 79 78 84 87 80 78 76 88 | |
| 80 78 84 85 80 78 84 86 | |
| 80 78 84 87 81 80 78 84 | |
| 82 80 78 84 83 80 78 84 | |
| 84 78 76 88 88 90 92 94 | |
| 88 90 92 99 88 90 92 93 | |
| 89 88 90 91 89 88 90 92 | |
| 90 92 94 97 90 92 94 95 | |
| 90 92 94 96 90 92 99 101 | |
| 90 92 99 100 91 90 92 94 | |
| 91 90 92 99 91 90 92 93 | |
| 92 99 101 102 92 99 101 103 | |
| 92 94 97 98 93 92 94 97 | |
| 93 92 94 95 93 92 94 96 | |
| 93 92 99 101 93 92 99 100 | |
| 94 92 99 101 94 92 99 100 | |
| 95 94 92 99 95 94 97 98 | |
| 96 94 92 99 96 94 97 98 | |
| 97 94 92 99 99 101 103 105 | |
| 99 101 103 110 99 101 103 104 | |
| 100 99 101 102 100 99 101 103 | |
| 101 103 105 108 101 103 105 106 | |
| 101 103 105 107 101 103 110 112 | |
| 101 103 110 111 102 101 103 105 | |
| 102 101 103 110 102 101 103 104 | |
| 103 110 112 116 103 110 112 113 | |
| 103 105 108 109 104 103 105 108 | |
| 104 103 105 106 104 103 105 107 | |
| 104 103 110 112 104 103 110 111 | |
| 105 103 110 112 105 103 110 111 | |
| 106 105 103 110 106 105 108 109 | |
| 107 105 103 110 107 105 108 109 | |
| 108 105 103 110 110 112 116 124 | |
| 110 112 116 118 110 112 116 117 | |
| 110 112 113 121 110 112 113 114 | |
| 110 112 113 115 111 110 112 116 | |
| 111 110 112 113 112 116 124 126 | |
| 112 116 124 125 112 116 118 121 | |
| 112 116 118 119 112 116 118 120 | |
| 112 113 121 118 112 113 121 122 | |
| 112 113 121 123 113 121 118 116 | |
| 113 121 118 119 113 121 118 120 | |
| 113 112 116 124 113 112 116 118 | |
| 113 112 116 117 114 113 121 118 | |
| 114 113 121 122 114 113 121 123 | |
| 114 113 112 116 115 113 121 118 | |
| 115 113 121 122 115 113 121 123 | |
| 115 113 112 116 116 124 126 127 | |
| 116 124 126 128 116 118 121 122 | |
| 116 118 121 123 116 112 113 121 | |
| 117 116 124 126 117 116 124 125 | |
| 117 116 118 121 117 116 118 119 | |
| 117 116 118 120 118 116 124 126 | |
| 118 116 124 125 119 118 116 124 | |
| 119 118 121 122 119 118 121 123 | |
| 120 118 116 124 120 118 121 122 | |
| 120 118 121 123 121 118 116 124 | |
| 124 126 128 130 124 126 128 143 | |
| 124 126 128 129 125 124 126 127 | |
| 125 124 126 128 126 128 130 136 | |
| 126 128 130 132 126 128 130 131 | |
| 126 128 143 145 126 128 143 144 | |
| 127 126 128 130 127 126 128 143 | |
| 127 126 128 129 128 143 145 146 | |
| 128 143 145 147 128 130 136 139 | |
| 128 130 136 137 128 130 136 138 | |
| 128 130 132 133 128 130 132 134 | |
| 128 130 132 135 129 128 130 136 | |
| 129 128 130 132 129 128 130 131 | |
| 129 128 143 145 129 128 143 144 | |
| 130 136 139 140 130 136 139 141 | |
| 130 136 139 142 130 128 143 145 | |
| 130 128 143 144 131 130 128 143 | |
| 131 130 136 139 131 130 136 137 | |
| 131 130 136 138 131 130 132 133 | |
| 131 130 132 134 131 130 132 135 | |
| 132 130 128 143 132 130 136 139 | |
| 132 130 136 137 132 130 136 138 | |
| 133 132 130 136 134 132 130 136 | |
| 135 132 130 136 136 130 128 143 | |
| 137 136 139 140 137 136 139 141 | |
| 137 136 139 142 138 136 139 140 | |
| 138 136 139 141 138 136 139 142 | |
| 143 145 147 149 143 145 147 164 | |
| 143 145 147 148 144 143 145 146 | |
| 144 143 145 147 145 147 149 152 | |
| 145 147 149 150 145 147 149 151 | |
| 145 147 164 166 145 147 164 165 | |
| 146 145 147 149 146 145 147 164 | |
| 146 145 147 148 147 164 166 167 | |
| 147 164 166 168 147 149 152 160 | |
| 147 149 152 153 148 147 149 152 | |
| 148 147 149 150 148 147 149 151 | |
| 148 147 164 166 148 147 164 165 | |
| 149 152 160 161 149 152 160 162 | |
| 149 152 153 155 149 152 153 154 | |
| 149 147 164 166 149 147 164 165 | |
| 150 149 147 164 150 149 152 160 | |
| 150 149 152 153 151 149 147 164 | |
| 151 149 152 160 151 149 152 153 | |
| 152 160 162 157 152 160 162 163 | |
| 152 153 155 156 152 153 155 157 | |
| 152 149 147 164 153 155 157 162 | |
| 153 155 157 158 153 152 160 161 | |
| 153 152 160 162 154 153 155 156 | |
| 154 153 155 157 154 153 152 160 | |
| 155 157 162 163 155 157 162 160 | |
| 155 157 158 159 155 153 152 160 | |
| 156 155 157 162 156 155 157 158 | |
| 157 162 160 161 158 157 162 163 | |
| 158 157 162 160 159 158 157 162 | |
| 161 160 162 163 164 166 168 170 | |
| 164 166 168 176 164 166 168 169 | |
| 165 164 166 167 165 164 166 168 | |
| 166 168 170 173 166 168 170 171 | |
| 166 168 170 172 166 168 176 178 | |
| 166 168 176 177 167 166 168 170 | |
| 167 166 168 176 167 166 168 169 | |
| 168 176 178 179 168 176 178 180 | |
| 168 170 173 175 168 170 173 174 | |
| 169 168 170 173 169 168 170 171 | |
| 169 168 170 172 169 168 176 178 | |
| 169 168 176 177 170 168 176 178 | |
| 170 168 176 177 171 170 168 176 | |
| 171 170 173 175 171 170 173 174 | |
| 172 170 168 176 172 170 173 175 | |
| 172 170 173 174 173 170 168 176 | |
| 176 178 180 182 176 178 180 195 | |
| 176 178 180 181 177 176 178 179 | |
| 177 176 178 180 178 180 182 188 | |
| 178 180 182 184 178 180 182 183 | |
| 178 180 195 197 178 180 195 196 | |
| 179 178 180 182 179 178 180 195 | |
| 179 178 180 181 180 195 197 198 | |
| 180 195 197 199 180 182 188 191 | |
| 180 182 188 189 180 182 188 190 | |
| 180 182 184 185 180 182 184 186 | |
| 180 182 184 187 181 180 182 188 | |
| 181 180 182 184 181 180 182 183 | |
| 181 180 195 197 181 180 195 196 | |
| 182 188 191 192 182 188 191 193 | |
| 182 188 191 194 182 180 195 197 | |
| 182 180 195 196 183 182 180 195 | |
| 183 182 188 191 183 182 188 189 | |
| 183 182 188 190 183 182 184 185 | |
| 183 182 184 186 183 182 184 187 | |
| 184 182 180 195 184 182 188 191 | |
| 184 182 188 189 184 182 188 190 | |
| 185 184 182 188 186 184 182 188 | |
| 187 184 182 188 188 182 180 195 | |
| 189 188 191 192 189 188 191 193 | |
| 189 188 191 194 190 188 191 192 | |
| 190 188 191 193 190 188 191 194 | |
| 195 197 199 201 195 197 199 209 | |
| 195 197 199 200 196 195 197 198 | |
| 196 195 197 199 197 199 201 204 | |
| 197 199 201 202 197 199 201 203 | |
| 197 199 209 211 197 199 209 210 | |
| 198 197 199 201 198 197 199 209 | |
| 198 197 199 200 199 209 211 212 | |
| 199 209 211 213 199 201 204 206 | |
| 199 201 204 205 200 199 201 204 | |
| 200 199 201 202 200 199 201 203 | |
| 200 199 209 211 200 199 209 210 | |
| 201 204 206 207 201 204 206 208 | |
| 201 199 209 211 201 199 209 210 | |
| 202 201 199 209 202 201 204 206 | |
| 202 201 204 205 203 201 199 209 | |
| 203 201 204 206 203 201 204 205 | |
| 204 201 199 209 205 204 206 207 | |
| 205 204 206 208 209 211 213 215 | |
| 209 211 213 230 209 211 213 214 | |
| 210 209 211 212 210 209 211 213 | |
| 211 213 215 218 211 213 215 216 | |
| 211 213 215 217 211 213 230 232 | |
| 211 213 230 231 212 211 213 215 | |
| 212 211 213 230 212 211 213 214 | |
| 213 230 232 233 213 230 232 234 | |
| 213 215 218 226 213 215 218 219 | |
| 214 213 215 218 214 213 215 216 | |
| 214 213 215 217 214 213 230 232 | |
| 214 213 230 231 215 218 226 227 | |
| 215 218 226 228 215 218 219 221 | |
| 215 218 219 220 215 213 230 232 | |
| 215 213 230 231 216 215 213 230 | |
| 216 215 218 226 216 215 218 219 | |
| 217 215 213 230 217 215 218 226 | |
| 217 215 218 219 218 226 228 223 | |
| 218 226 228 229 218 219 221 222 | |
| 218 219 221 223 218 215 213 230 | |
| 219 221 223 228 219 221 223 224 | |
| 219 218 226 227 219 218 226 228 | |
| 220 219 221 222 220 219 221 223 | |
| 220 219 218 226 221 223 228 229 | |
| 221 223 228 226 221 223 224 225 | |
| 221 219 218 226 222 221 223 228 | |
| 222 221 223 224 223 228 226 227 | |
| 224 223 228 229 224 223 228 226 | |
| 225 224 223 228 227 226 228 229 | |
| 230 232 234 236 230 232 234 251 | |
| 230 232 234 235 231 230 232 233 | |
| 231 230 232 234 232 234 236 239 | |
| 232 234 236 237 232 234 236 238 | |
| 232 234 251 253 232 234 251 252 | |
| 233 232 234 236 233 232 234 251 | |
| 233 232 234 235 234 251 253 254 | |
| 234 251 253 255 234 236 239 247 | |
| 234 236 239 240 235 234 236 239 | |
| 235 234 236 237 235 234 236 238 | |
| 235 234 251 253 235 234 251 252 | |
| 236 239 247 248 236 239 247 249 | |
| 236 239 240 242 236 239 240 241 | |
| 236 234 251 253 236 234 251 252 | |
| 237 236 234 251 237 236 239 247 | |
| 237 236 239 240 238 236 234 251 | |
| 238 236 239 247 238 236 239 240 | |
| 239 247 249 244 239 247 249 250 | |
| 239 240 242 243 239 240 242 244 | |
| 239 236 234 251 240 242 244 249 | |
| 240 242 244 245 240 239 247 248 | |
| 240 239 247 249 241 240 242 243 | |
| 241 240 242 244 241 240 239 247 | |
| 242 244 249 250 242 244 249 247 | |
| 242 244 245 246 242 240 239 247 | |
| 243 242 244 249 243 242 244 245 | |
| 244 249 247 248 245 244 249 250 | |
| 245 244 249 247 246 245 244 249 | |
| 248 247 249 250 251 253 255 257 | |
| 251 253 255 265 251 253 255 256 | |
| 252 251 253 254 252 251 253 255 | |
| 253 255 257 259 253 255 257 261 | |
| 253 255 257 258 253 255 265 267 | |
| 253 255 265 266 254 253 255 257 | |
| 254 253 255 265 254 253 255 256 | |
| 255 265 267 268 255 265 267 269 | |
| 255 257 259 260 255 257 261 262 | |
| 255 257 261 263 255 257 261 264 | |
| 256 255 257 259 256 255 257 261 | |
| 256 255 257 258 256 255 265 267 | |
| 256 255 265 266 257 255 265 267 | |
| 257 255 265 266 258 257 255 265 | |
| 258 257 259 260 258 257 261 262 | |
| 258 257 261 263 258 257 261 264 | |
| 259 257 255 265 259 257 261 262 | |
| 259 257 261 263 259 257 261 264 | |
| 260 259 257 261 261 257 255 265 | |
| 265 267 269 271 265 267 269 276 | |
| 265 267 269 270 266 265 267 268 | |
| 266 265 267 269 267 269 271 274 | |
| 267 269 271 272 267 269 271 273 | |
| 267 269 276 278 267 269 276 277 | |
| 268 267 269 271 268 267 269 276 | |
| 268 267 269 270 269 276 278 279 | |
| 269 276 278 280 269 271 274 275 | |
| 270 269 271 274 270 269 271 272 | |
| 270 269 271 273 270 269 276 278 | |
| 270 269 276 277 271 269 276 278 | |
| 271 269 276 277 272 271 269 276 | |
| 272 271 274 275 273 271 269 276 | |
| 273 271 274 275 274 271 269 276 | |
| 276 278 280 282 276 278 280 291 | |
| 276 278 280 281 277 276 278 279 | |
| 277 276 278 280 278 280 282 285 | |
| 278 280 282 283 278 280 282 284 | |
| 278 280 291 293 278 280 291 292 | |
| 279 278 280 282 279 278 280 291 | |
| 279 278 280 281 280 291 293 297 | |
| 280 291 293 294 280 282 285 288 | |
| 280 282 285 286 280 282 285 287 | |
| 281 280 282 285 281 280 282 283 | |
| 281 280 282 284 281 280 291 293 | |
| 281 280 291 292 282 285 288 290 | |
| 282 285 288 289 282 280 291 293 | |
| 282 280 291 292 283 282 280 291 | |
| 283 282 285 288 283 282 285 286 | |
| 283 282 285 287 284 282 280 291 | |
| 284 282 285 288 284 282 285 286 | |
| 284 282 285 287 285 282 280 291 | |
| 286 285 288 290 286 285 288 289 | |
| 287 285 288 290 287 285 288 289 | |
| 291 293 297 305 291 293 297 299 | |
| 291 293 297 298 291 293 294 302 | |
| 291 293 294 295 291 293 294 296 | |
| 292 291 293 297 292 291 293 294 | |
| 293 297 305 307 293 297 305 306 | |
| 293 297 299 302 293 297 299 300 | |
| 293 297 299 301 293 294 302 299 | |
| 293 294 302 303 293 294 302 304 | |
| 294 302 299 297 294 302 299 300 | |
| 294 302 299 301 294 293 297 305 | |
| 294 293 297 299 294 293 297 298 | |
| 295 294 302 299 295 294 302 303 | |
| 295 294 302 304 295 294 293 297 | |
| 296 294 302 299 296 294 302 303 | |
| 296 294 302 304 296 294 293 297 | |
| 297 305 307 308 297 305 307 309 | |
| 297 299 302 303 297 299 302 304 | |
| 297 293 294 302 298 297 305 307 | |
| 298 297 305 306 298 297 299 302 | |
| 298 297 299 300 298 297 299 301 | |
| 299 297 305 307 299 297 305 306 | |
| 300 299 297 305 300 299 302 303 | |
| 300 299 302 304 301 299 297 305 | |
| 301 299 302 303 301 299 302 304 | |
| 302 299 297 305 305 307 309 311 | |
| 305 307 309 316 305 307 309 310 | |
| 306 305 307 308 306 305 307 309 | |
| 307 309 311 314 307 309 311 312 | |
| 307 309 311 313 307 309 316 318 | |
| 307 309 316 317 308 307 309 311 | |
| 308 307 309 316 308 307 309 310 | |
| 309 316 318 319 309 316 318 320 | |
| 309 311 314 315 310 309 311 314 | |
| 310 309 311 312 310 309 311 313 | |
| 310 309 316 318 310 309 316 317 | |
| 311 309 316 318 311 309 316 317 | |
| 312 311 309 316 312 311 314 315 | |
| 313 311 309 316 313 311 314 315 | |
| 314 311 309 316 316 318 320 322 | |
| 316 318 320 333 316 318 320 321 | |
| 317 316 318 319 317 316 318 320 | |
| 318 320 322 325 318 320 322 323 | |
| 318 320 322 324 318 320 333 335 | |
| 318 320 333 334 319 318 320 322 | |
| 319 318 320 333 319 318 320 321 | |
| 320 333 335 336 320 333 335 337 | |
| 320 322 325 328 320 322 325 326 | |
| 320 322 325 327 321 320 322 325 | |
| 321 320 322 323 321 320 322 324 | |
| 321 320 333 335 321 320 333 334 | |
| 322 325 328 330 322 325 328 329 | |
| 322 320 333 335 322 320 333 334 | |
| 323 322 320 333 323 322 325 328 | |
| 323 322 325 326 323 322 325 327 | |
| 324 322 320 333 324 322 325 328 | |
| 324 322 325 326 324 322 325 327 | |
| 325 328 330 331 325 328 330 332 | |
| 325 322 320 333 326 325 328 330 | |
| 326 325 328 329 327 325 328 330 | |
| 327 325 328 329 329 328 330 331 | |
| 329 328 330 332 333 335 337 339 | |
| 333 335 337 355 333 335 337 338 | |
| 334 333 335 336 334 333 335 337 | |
| 335 337 339 342 335 337 339 340 | |
| 335 337 339 341 335 337 355 357 | |
| 335 337 355 356 336 335 337 339 | |
| 336 335 337 355 336 335 337 338 | |
| 337 355 357 358 337 355 357 359 | |
| 337 339 342 345 337 339 342 343 | |
| 337 339 342 344 338 337 339 342 | |
| 338 337 339 340 338 337 339 341 | |
| 338 337 355 357 338 337 355 356 | |
| 339 342 345 348 339 342 345 346 | |
| 339 342 345 347 339 337 355 357 | |
| 339 337 355 356 340 339 337 355 | |
| 340 339 342 345 340 339 342 343 | |
| 340 339 342 344 341 339 337 355 | |
| 341 339 342 345 341 339 342 343 | |
| 341 339 342 344 342 345 348 351 | |
| 342 345 348 349 342 345 348 350 | |
| 342 339 337 355 343 342 345 348 | |
| 343 342 345 346 343 342 345 347 | |
| 344 342 345 348 344 342 345 346 | |
| 344 342 345 347 345 348 351 352 | |
| 345 348 351 353 345 348 351 354 | |
| 346 345 348 351 346 345 348 349 | |
| 346 345 348 350 347 345 348 351 | |
| 347 345 348 349 347 345 348 350 | |
| 349 348 351 352 349 348 351 353 | |
| 349 348 351 354 350 348 351 352 | |
| 350 348 351 353 350 348 351 354 | |
| 355 357 359 361 355 357 359 374 | |
| 355 357 359 360 356 355 357 358 | |
| 356 355 357 359 357 359 361 367 | |
| 357 359 361 363 357 359 361 362 | |
| 357 359 374 376 357 359 374 375 | |
| 358 357 359 361 358 357 359 374 | |
| 358 357 359 360 359 374 376 377 | |
| 359 374 376 378 359 361 367 370 | |
| 359 361 367 368 359 361 367 369 | |
| 359 361 363 364 359 361 363 365 | |
| 359 361 363 366 360 359 361 367 | |
| 360 359 361 363 360 359 361 362 | |
| 360 359 374 376 360 359 374 375 | |
| 361 367 370 371 361 367 370 372 | |
| 361 367 370 373 361 359 374 376 | |
| 361 359 374 375 362 361 359 374 | |
| 362 361 367 370 362 361 367 368 | |
| 362 361 367 369 362 361 363 364 | |
| 362 361 363 365 362 361 363 366 | |
| 363 361 359 374 363 361 367 370 | |
| 363 361 367 368 363 361 367 369 | |
| 364 363 361 367 365 363 361 367 | |
| 366 363 361 367 367 361 359 374 | |
| 368 367 370 371 368 367 370 372 | |
| 368 367 370 373 369 367 370 371 | |
| 369 367 370 372 369 367 370 373 | |
| 374 376 378 380 374 376 378 388 | |
| 374 376 378 379 375 374 376 377 | |
| 375 374 376 378 376 378 380 383 | |
| 376 378 380 381 376 378 380 382 | |
| 376 378 388 390 376 378 388 389 | |
| 377 376 378 380 377 376 378 388 | |
| 377 376 378 379 378 388 390 391 | |
| 378 388 390 392 378 380 383 385 | |
| 378 380 383 384 379 378 380 383 | |
| 379 378 380 381 379 378 380 382 | |
| 379 378 388 390 379 378 388 389 | |
| 380 383 385 386 380 383 385 387 | |
| 380 378 388 390 380 378 388 389 | |
| 381 380 378 388 381 380 383 385 | |
| 381 380 383 384 382 380 378 388 | |
| 382 380 383 385 382 380 383 384 | |
| 383 380 378 388 384 383 385 386 | |
| 384 383 385 387 388 390 392 394 | |
| 388 390 392 404 388 390 392 393 | |
| 389 388 390 391 389 388 390 392 | |
| 390 392 394 396 390 392 394 400 | |
| 390 392 394 395 390 392 404 406 | |
| 390 392 404 405 391 390 392 394 | |
| 391 390 392 404 391 390 392 393 | |
| 392 404 406 407 392 404 406 408 | |
| 392 394 396 397 392 394 396 398 | |
| 392 394 396 399 392 394 400 401 | |
| 392 394 400 402 392 394 400 403 | |
| 393 392 394 396 393 392 394 400 | |
| 393 392 394 395 393 392 404 406 | |
| 393 392 404 405 394 392 404 406 | |
| 394 392 404 405 395 394 392 404 | |
| 395 394 396 397 395 394 396 398 | |
| 395 394 396 399 395 394 400 401 | |
| 395 394 400 402 395 394 400 403 | |
| 396 394 392 404 396 394 400 401 | |
| 396 394 400 402 396 394 400 403 | |
| 397 396 394 400 398 396 394 400 | |
| 399 396 394 400 400 394 392 404 | |
| 404 406 408 410 404 406 408 426 | |
| 404 406 408 409 405 404 406 407 | |
| 405 404 406 408 406 408 410 413 | |
| 406 408 410 411 406 408 410 412 | |
| 406 408 426 428 406 408 426 427 | |
| 407 406 408 410 407 406 408 426 | |
| 407 406 408 409 408 426 428 429 | |
| 408 426 428 430 408 410 413 416 | |
| 408 410 413 414 408 410 413 415 | |
| 409 408 410 413 409 408 410 411 | |
| 409 408 410 412 409 408 426 428 | |
| 409 408 426 427 410 413 416 419 | |
| 410 413 416 417 410 413 416 418 | |
| 410 408 426 428 410 408 426 427 | |
| 411 410 408 426 411 410 413 416 | |
| 411 410 413 414 411 410 413 415 | |
| 412 410 408 426 412 410 413 416 | |
| 412 410 413 414 412 410 413 415 | |
| 413 416 419 422 413 416 419 420 | |
| 413 416 419 421 413 410 408 426 | |
| 414 413 416 419 414 413 416 417 | |
| 414 413 416 418 415 413 416 419 | |
| 415 413 416 417 415 413 416 418 | |
| 416 419 422 423 416 419 422 424 | |
| 416 419 422 425 417 416 419 422 | |
| 417 416 419 420 417 416 419 421 | |
| 418 416 419 422 418 416 419 420 | |
| 418 416 419 421 420 419 422 423 | |
| 420 419 422 424 420 419 422 425 | |
| 421 419 422 423 421 419 422 424 | |
| 421 419 422 425 426 428 430 432 | |
| 426 428 430 443 426 428 430 431 | |
| 427 426 428 429 427 426 428 430 | |
| 428 430 432 435 428 430 432 433 | |
| 428 430 432 434 428 430 443 445 | |
| 428 430 443 444 429 428 430 432 | |
| 429 428 430 443 429 428 430 431 | |
| 430 443 445 446 430 443 445 447 | |
| 430 432 435 438 430 432 435 436 | |
| 430 432 435 437 431 430 432 435 | |
| 431 430 432 433 431 430 432 434 | |
| 431 430 443 445 431 430 443 444 | |
| 432 435 438 440 432 435 438 439 | |
| 432 430 443 445 432 430 443 444 | |
| 433 432 430 443 433 432 435 438 | |
| 433 432 435 436 433 432 435 437 | |
| 434 432 430 443 434 432 435 438 | |
| 434 432 435 436 434 432 435 437 | |
| 435 438 440 441 435 438 440 442 | |
| 435 432 430 443 436 435 438 440 | |
| 436 435 438 439 437 435 438 440 | |
| 437 435 438 439 439 438 440 441 | |
| 439 438 440 442 443 445 447 448 | |
| 443 445 447 449 443 445 447 450 | |
| 444 443 445 446 444 443 445 447 | |
| 446 445 447 448 446 445 447 449 | |
| 446 445 447 450 | |
| 79 !NIMPHI: impropers | |
| 5 1 7 6 7 5 9 8 | |
| 22 9 24 23 24 22 26 25 | |
| 31 28 33 32 34 26 36 35 | |
| 36 34 38 37 55 38 57 56 | |
| 57 55 59 58 67 69 64 68 | |
| 67 64 69 68 69 67 70 71 | |
| 69 67 71 70 72 59 74 73 | |
| 74 72 76 75 88 76 90 89 | |
| 90 88 92 91 99 92 101 100 | |
| 101 99 103 102 110 103 112 111 | |
| 112 110 116 113 124 116 126 125 | |
| 126 124 128 127 143 128 145 144 | |
| 145 143 147 146 164 147 166 165 | |
| 166 164 168 167 173 170 175 174 | |
| 176 168 178 177 178 176 180 179 | |
| 195 180 197 196 197 195 199 198 | |
| 204 206 201 205 204 201 206 205 | |
| 206 204 207 208 206 204 208 207 | |
| 209 199 211 210 211 209 213 212 | |
| 230 213 232 231 232 230 234 233 | |
| 251 234 253 252 253 251 255 254 | |
| 265 255 267 266 267 265 269 268 | |
| 276 269 278 277 278 276 280 279 | |
| 288 285 290 289 291 280 293 292 | |
| 293 291 297 294 305 297 307 306 | |
| 307 305 309 308 316 309 318 317 | |
| 318 316 320 319 328 330 325 329 | |
| 328 325 330 329 330 328 331 332 | |
| 330 328 332 331 333 320 335 334 | |
| 335 333 337 336 355 337 357 356 | |
| 357 355 359 358 374 359 376 375 | |
| 376 374 378 377 383 385 380 384 | |
| 383 380 385 384 385 383 386 387 | |
| 385 383 387 386 388 378 390 389 | |
| 390 388 392 391 404 392 406 405 | |
| 406 404 408 407 426 408 428 427 | |
| 428 426 430 429 438 440 435 439 | |
| 438 435 440 439 440 438 441 442 | |
| 440 438 442 441 443 430 445 444 | |
| 445 443 447 446 | |
| 0 !NDON: donors | |
| 0 !NACC: acceptors | |
| 0 !NNB | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 0 0 0 0 0 0 | |
| 0 0 | |
| 1 0 !NGRP | |
| 0 0 0 | |
| 27 !NCRTERM: cross-terms | |
| 5 7 9 22 7 9 22 24 | |
| 22 24 26 34 24 26 34 36 | |
| 34 36 38 55 36 38 55 57 | |
| 55 57 59 72 57 59 72 74 | |
| 72 74 76 88 74 76 88 90 | |
| 88 90 92 99 90 92 99 101 | |
| 99 101 103 110 101 103 110 112 | |
| 110 112 116 124 112 116 124 126 | |
| 124 126 128 143 126 128 143 145 | |
| 143 145 147 164 145 147 164 166 | |
| 164 166 168 176 166 168 176 178 | |
| 176 178 180 195 178 180 195 197 | |
| 195 197 199 209 197 199 209 211 | |
| 209 211 213 230 211 213 230 232 | |
| 230 232 234 251 232 234 251 253 | |
| 251 253 255 265 253 255 265 267 | |
| 265 267 269 276 267 269 276 278 | |
| 276 278 280 291 278 280 291 293 | |
| 291 293 297 305 293 297 305 307 | |
| 305 307 309 316 307 309 316 318 | |
| 316 318 320 333 318 320 333 335 | |
| 333 335 337 355 335 337 355 357 | |
| 355 357 359 374 357 359 374 376 | |
| 374 376 378 388 376 378 388 390 | |
| 388 390 392 404 390 392 404 406 | |
| 404 406 408 426 406 408 426 428 | |
| 426 428 430 443 428 430 443 445 | |
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