# Bonding information for index 544 -- LYS_8@O 0MA_14@H3O 0MA_14@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 ## Starting information for simulation # 3 ## Starting information for simulation # 4 ## Starting information for simulation # 5 ## Starting information for simulation # 6 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 544 11 6835 2 2.58 2.6360 12.434 ## Starting information for simulation # 12 544 12 4 2 2.62 2.8377 10.722 544 12 5 2 2.68 2.9335 10.672 544 12 6 2 2.79 2.8099 10.397 544 12 8 2 2.57 2.9010 9.963 544 12 9 2 2.70 2.6716 10.228 544 12 10 2 2.75 2.7102 9.453 544 12 11 2 2.72 2.7312 9.993 544 12 12 2 2.93 2.9157 9.926 544 12 13 2 2.59 2.9815 9.625 544 12 14 2 2.66 2.8851 9.357 544 12 15 2 2.90 2.9593 9.483 544 12 16 2 2.66 3.0750 9.382 544 12 17 2 2.67 2.8226 9.248 544 12 18 2 2.81 2.1371 9.246 544 12 19 2 2.79 2.7551 9.392 544 12 21 2 2.82 2.4544 9.510 544 12 22 2 2.97 2.4555 8.690 544 12 23 2 2.68 2.6882 8.269 544 12 24 2 2.80 2.7218 8.151 544 12 25 2 2.77 2.8581 8.158 544 12 26 2 2.79 2.8189 8.366 544 12 27 2 2.96 2.7304 8.164 544 12 29 2 2.68 2.3960 8.492 544 12 44 2 2.79 2.5186 9.409 544 12 46 2 2.93 2.5028 9.179 544 12 47 2 2.69 2.7950 8.930 544 12 48 2 2.76 3.0193 8.711 544 12 49 2 2.88 2.5815 8.687 544 12 50 2 2.91 2.6884 8.815 544 12 51 2 2.84 2.6674 8.510 544 12 53 2 2.70 2.8127 9.265 544 12 54 2 2.89 2.8760 8.842 544 12 56 2 2.62 2.7755 8.944 544 12 57 2 2.80 2.7848 9.604 544 12 58 2 2.55 2.8620 8.852 544 12 59 2 2.76 2.6603 9.160 544 12 60 2 2.59 2.8307 9.193 544 12 61 2 2.82 2.7367 8.735 544 12 62 2 2.85 2.6457 9.634 544 12 63 2 2.82 2.9810 9.229 544 12 64 2 2.64 2.7990 9.195 544 12 65 2 2.62 2.7173 9.242 544 12 66 2 2.94 3.0972 9.724 544 12 67 2 2.48 2.9735 8.712 544 12 99 2 2.87 1.9827 9.701 544 12 117 2 2.93 1.9613 9.749 544 12 121 2 2.69 2.7283 9.089 544 12 150 2 2.76 2.8815 9.764 544 12 152 2 2.72 2.9801 10.054 544 12 153 2 2.69 2.8573 9.483 544 12 154 2 2.63 2.8407 9.889 544 12 155 2 2.79 2.7676 9.560 544 12 156 2 2.61 2.9332 9.569 544 12 157 2 2.72 3.0907 10.024 544 12 158 2 2.79 2.9859 9.928 544 12 159 2 2.64 3.0024 10.206 544 12 160 2 2.61 2.9151 9.806 544 12 161 2 2.74 2.6602 9.613 544 12 163 2 2.72 2.5917 9.613 544 12 164 2 2.69 2.5774 9.534 544 12 165 2 2.91 2.6240 9.659 544 12 166 2 2.93 2.8478 9.837 544 12 167 2 2.65 2.8831 9.994 544 12 168 2 2.81 2.3891 9.331 544 12 169 2 2.68 2.9351 9.963 544 12 170 2 2.61 2.8240 9.630 544 12 171 2 2.70 2.8678 9.733 544 12 172 2 2.90 2.8093 9.626 544 12 173 2 2.64 2.8412 10.077 544 12 174 2 2.67 2.9282 9.529 544 12 175 2 2.95 2.3517 9.572 544 12 177 2 2.59 2.8004 9.713 544 12 178 2 2.77 2.7859 9.932 544 12 179 2 2.80 2.2952 9.945 544 12 180 2 2.77 2.4279 9.341 544 12 181 2 2.73 2.6223 9.936 544 12 182 2 2.89 2.4080 9.878 544 12 185 2 2.57 2.6950 9.927 544 12 186 2 2.69 3.1262 9.763 544 12 187 2 2.65 2.5934 9.945 544 12 188 2 2.89 2.7469 9.849 544 12 189 2 2.79 2.5011 9.832 544 12 208 2 2.92 1.8749 9.805 544 12 209 2 2.65 2.8033 9.896 544 12 210 2 2.81 2.5934 9.882 544 12 212 2 2.84 2.3977 9.483 544 12 213 2 2.81 2.6223 9.391 544 12 214 2 2.56 2.7926 9.913 544 12 215 2 2.70 2.9021 9.436 544 12 216 2 2.92 2.7763 9.560 544 12 217 2 2.63 2.7966 9.742 544 12 218 2 2.83 2.6211 9.610 544 12 219 2 2.91 2.5831 8.999 544 12 223 2 2.92 2.4484 9.276 544 12 224 2 2.78 2.8378 9.542 544 12 225 2 2.71 2.9678 9.355 544 12 226 2 2.78 2.6726 8.575 544 12 227 2 2.76 2.3543 8.998 544 12 229 2 2.91 2.8467 8.657 544 12 230 2 2.73 2.8882 8.836 544 12 231 2 2.83 2.9279 8.691 544 12 234 2 2.90 2.6929 9.725 544 12 235 2 2.64 2.8222 8.779 544 12 236 2 2.74 2.9018 8.670 544 12 237 2 2.73 2.7155 9.093 544 12 242 2 2.98 2.2574 8.853 544 12 292 2 2.63 2.6159 9.261 544 12 293 2 2.94 2.6640 9.238 544 12 294 2 2.59 2.8537 8.998 544 12 295 2 2.56 3.0739 9.367 544 12 296 2 2.74 2.9139 9.073 544 12 297 2 2.78 2.8710 8.980 544 12 298 2 2.72 3.0180 9.251 544 12 323 2 2.62 2.6574 8.826 544 12 324 2 2.68 2.8360 8.784 544 12 327 2 2.84 2.1291 8.693 544 12 328 2 2.51 2.9017 8.921 544 12 329 2 2.82 2.8044 9.001 544 12 330 2 2.73 2.6088 8.891 544 12 331 2 2.86 2.7781 8.775 544 12 332 2 2.69 2.5242 9.371 544 12 334 2 2.60 2.7787 8.856 544 12 335 2 2.74 2.4248 9.017 544 12 336 2 2.81 2.6716 9.379 544 12 337 2 2.71 2.5272 8.914 544 12 338 2 2.97 2.0437 8.950 544 12 339 2 2.95 3.0481 9.128 544 12 340 2 2.82 2.9592 9.019 544 12 341 2 2.81 2.6585 9.288 544 12 342 2 2.83 2.7333 9.739 544 12 343 2 2.83 2.7063 9.341 544 12 344 2 2.58 2.8405 9.159 544 12 346 2 2.79 2.6692 8.545 544 12 347 2 2.68 2.4954 8.909 544 12 348 2 2.73 2.8483 8.488 544 12 349 2 2.89 2.5108 9.234 544 12 350 2 2.73 2.6960 8.476 544 12 351 2 2.97 2.8284 8.706 544 12 352 2 2.61 2.9488 9.092 544 12 353 2 2.70 2.4980 8.277 544 12 356 2 2.69 2.6313 8.899 544 12 357 2 2.89 2.8083 8.984 544 12 358 2 2.76 2.7157 9.355 544 12 359 2 2.61 2.6830 8.162 544 12 360 2 2.78 2.7777 8.629 544 12 361 2 2.66 3.0146 9.213 544 12 362 2 2.59 2.9288 8.963 544 12 363 2 2.86 2.6129 9.374 544 12 364 2 2.76 2.9887 9.688 544 12 365 2 2.86 2.7017 9.365 544 12 366 2 2.66 2.9918 9.232 544 12 367 2 2.68 3.0642 9.240 544 12 368 2 2.77 2.9232 8.910 544 12 369 2 2.83 2.6392 9.469 544 12 370 2 2.58 2.8503 8.713 544 12 371 2 2.79 2.3918 9.414 544 12 372 2 2.83 2.7671 9.632 544 12 373 2 2.78 2.8156 8.936 544 12 382 2 2.78 2.7905 9.105 544 12 385 2 2.63 2.7351 8.708 544 12 386 2 2.64 2.5134 8.805 544 12 389 2 2.70 2.7177 8.571 544 12 390 2 2.94 2.6521 8.713 544 12 391 2 2.67 2.6679 8.894 544 12 392 2 2.85 2.3852 8.566 544 12 394 2 2.83 2.5002 9.088 544 12 396 2 2.83 2.4450 8.638 544 12 398 2 2.71 2.9217 8.768 544 12 404 2 2.79 2.7443 9.172 544 12 408 2 2.91 2.5187 8.847 544 12 409 2 2.67 2.7624 8.733 544 12 410 2 2.68 2.6682 8.485 544 12 411 2 2.66 2.8506 8.265 544 12 413 2 2.58 2.7328 8.782 544 12 414 2 2.89 2.8371 8.983 ## Starting information for simulation # 13 544 13 3876 2 2.73 2.8452 13.323 544 13 3879 2 2.67 2.9416 12.531 544 13 3880 2 2.87 3.0337 12.819 544 13 3881 2 2.53 2.5501 12.764 544 13 3882 2 2.87 3.0771 12.009 544 13 3883 2 2.78 2.8500 13.675 544 13 3884 2 2.83 3.0128 13.147 544 13 3885 2 2.61 2.7988 12.825 544 13 3887 2 2.66 2.7731 13.341 544 13 4057 2 2.89 2.7879 11.637 544 13 4742 2 2.71 2.5992 12.124 544 13 4744 2 2.68 2.5253 11.612 544 13 4745 2 2.66 3.0548 11.217 544 13 4746 2 2.93 3.0952 11.663 544 13 4747 2 2.53 2.5090 11.358 544 13 6447 2 2.66 2.8004 11.463 544 13 6448 2 2.62 2.9429 12.234 ## Starting information for simulation # 14 ## Starting information for simulation # 15 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 544 18 3998 2 2.86 2.7335 11.094 544 18 3999 2 2.66 2.9154 11.432 544 18 4001 2 2.98 2.5589 10.874 544 18 4002 2 2.65 3.0215 11.299 544 18 4003 2 2.75 2.7729 11.259 544 18 4004 2 2.82 2.8314 11.580 544 18 4005 2 2.68 2.7800 10.373 544 18 4006 2 2.79 2.6838 11.574 544 18 4007 2 2.79 2.8248 10.634 544 18 4008 2 2.90 2.5846 11.030 544 18 4009 2 2.61 2.9376 11.083 544 18 6888 2 2.98 1.8104 12.784 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 544 23 1847 2 2.83 2.8473 12.181 544 23 1849 2 2.80 3.0256 11.661 544 23 1851 2 2.86 2.8476 11.659 544 23 1852 2 2.67 2.8131 11.637 544 23 1853 2 2.84 2.7533 12.033 544 23 1854 2 2.66 2.8950 11.902 544 23 1855 2 2.62 2.9969 11.842 544 23 1856 2 2.61 2.7972 11.961 544 23 1857 2 2.71 2.9937 12.602 544 23 1858 2 2.65 2.6791 11.967 544 23 1859 2 2.61 2.6403 12.090 544 23 1860 2 2.88 2.6767 12.375 544 23 1905 2 2.78 2.8768 11.505 544 23 1906 2 2.87 2.7344 11.519 544 23 1908 2 2.92 2.9877 11.313 544 23 1909 2 2.57 2.9566 11.362 544 23 1911 2 2.88 2.6176 11.665 544 23 1912 2 2.64 2.6110 11.806 544 23 2034 2 2.71 2.8139 12.138 544 23 2035 2 2.49 2.6924 11.830 544 23 2036 2 2.91 3.0354 11.741 544 23 2045 2 2.86 3.0584 11.339 544 23 2046 2 2.66 2.9672 11.681 544 23 2047 2 2.92 2.7956 11.710 544 23 2048 2 2.67 2.6322 11.638 544 23 2049 2 2.59 2.9252 11.898 544 23 2052 2 2.63 2.9034 11.766 544 23 2053 2 2.68 2.8965 11.300 544 23 2054 2 2.62 2.9350 11.782 544 23 2056 2 2.72 2.8839 11.306 544 23 2058 2 2.75 3.0332 10.991 544 23 2059 2 2.98 2.0658 10.403 544 23 2060 2 2.64 2.8595 10.855 544 23 2061 2 2.65 2.4273 11.333 544 23 2062 2 2.72 2.8704 10.830 544 23 2063 2 2.68 2.8053 11.626 544 23 2064 2 2.69 2.4634 11.748 544 23 2065 2 2.79 2.9947 12.400 544 23 2066 2 2.80 2.7325 11.562 544 23 2067 2 2.61 2.9104 11.292 544 23 2068 2 2.58 3.0119 12.058 544 23 2069 2 2.79 3.0299 11.889 544 23 2070 2 2.57 2.5176 11.654 544 23 2071 2 2.64 2.9305 11.596 544 23 2072 2 2.75 3.1133 11.410 544 23 2073 2 2.89 2.8542 11.069 544 23 2074 2 2.65 2.5955 11.838 544 23 2075 2 2.94 2.5685 12.107 544 23 2076 2 2.86 2.6869 12.134 544 23 2077 2 2.88 2.9349 12.436 544 23 2079 2 2.73 2.8493 12.246 544 23 2080 2 2.99 3.0340 12.508 544 23 2081 2 2.79 2.8035 12.581 544 23 2082 2 2.56 2.7585 12.182 544 23 2083 2 2.84 2.7504 12.297 544 23 2084 2 2.89 3.0668 12.248 544 23 2085 2 2.64 2.9228 12.037 544 23 2086 2 2.81 2.4399 11.732 544 23 2087 2 2.75 2.5714 11.916 544 23 2094 2 2.61 3.0159 12.164 544 23 2095 2 2.75 2.7056 11.892 544 23 2096 2 2.77 2.9633 11.949 544 23 2097 2 2.94 2.7298 11.456 544 23 2098 2 2.69 2.8408 11.555 544 23 2099 2 2.71 3.0001 12.025 544 23 2145 2 2.58 2.9855 10.650 544 23 2146 2 2.75 2.7124 11.421 544 23 2147 2 2.74 2.7918 11.451 544 23 2148 2 2.70 2.7991 10.884 544 23 2149 2 2.58 2.8615 10.225 544 23 2150 2 2.84 2.8373 10.688 544 23 2151 2 2.75 3.1008 11.506 544 23 2152 2 2.67 2.9139 11.322 544 23 2195 2 2.66 2.8525 11.340 544 23 2197 2 2.84 2.9890 11.822 544 23 2198 2 2.84 2.6876 11.398 544 23 2200 2 2.84 2.8649 11.456 544 23 2201 2 2.86 2.7335 11.565 544 23 2202 2 2.69 3.0411 11.650 544 23 2203 2 2.58 3.0852 11.578 544 23 2204 2 2.76 2.9073 11.683 544 23 2205 2 2.90 2.7875 12.019 544 23 2212 2 2.67 2.9384 11.504 544 23 2214 2 2.76 2.7659 11.568 544 23 2215 2 2.79 2.5638 11.670 544 23 2216 2 2.96 2.8850 11.447 544 23 2217 2 2.66 2.6486 11.604 544 23 2218 2 2.84 2.7532 11.338 544 23 2219 2 2.72 2.5256 11.212 544 23 2220 2 2.82 2.9328 11.694 544 23 2221 2 2.86 2.8669 11.792 544 23 2222 2 2.62 2.6394 11.620 544 23 2224 2 2.95 3.0118 12.091 544 23 2228 2 2.65 2.6642 11.981 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 ## Starting information for simulation # 27 544 27 1222 2 2.96 2.5025 12.128 544 27 1229 2 2.78 1.9116 11.590 544 27 2480 2 2.80 1.9435 11.842 ## Starting information for simulation # 28 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32 ## Starting information for simulation # 33 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36