# Bonding information for index 10 -- ACE_1@O NHE_11@HN2 NHE_11@N # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 10 1 1191 3 2.94 2.6312 9.660 10 1 1201 3 2.91 2.5417 8.948 10 1 3056 3 2.72 2.2690 9.550 10 1 3843 3 2.80 2.0708 9.453 10 1 3913 3 2.98 2.1057 9.234 ## Starting information for simulation # 2 10 2 501 3 2.81 2.8828 7.701 10 2 502 3 2.92 2.5055 8.850 10 2 503 3 2.89 2.9363 9.384 10 2 3050 3 2.97 2.6804 8.967 10 2 3060 3 2.97 1.9173 8.713 ## Starting information for simulation # 3 10 3 6016 3 2.93 2.2541 6.387 10 3 6017 3 2.79 2.7813 6.878 10 3 6019 3 2.92 2.7151 6.687 10 3 6033 3 2.78 1.8997 6.326 10 3 6036 3 2.89 2.9847 6.689 10 3 6038 3 2.76 2.4525 6.556 10 3 6120 3 2.76 2.8369 6.085 ## 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 10 8 3161 3 2.82 2.1928 10.186 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 10 11 5024 3 2.83 2.7729 7.417 ## Starting information for simulation # 12 10 12 1235 3 2.86 2.4150 6.609 10 12 1240 3 2.95 2.9501 6.633 10 12 1242 3 2.98 2.9570 6.563 10 12 1243 3 2.72 2.6898 6.671 10 12 1248 3 2.92 2.5521 6.535 10 12 1255 3 2.73 2.5658 6.672 10 12 1256 3 2.92 2.9456 6.550 10 12 1396 3 2.97 2.0723 5.223 10 12 1719 3 2.81 2.5900 4.975 10 12 1753 3 2.89 2.9162 4.974 10 12 1756 3 2.99 3.0854 4.933 10 12 1757 3 2.88 2.1624 5.443 10 12 1758 3 2.95 2.2296 5.473 10 12 1759 3 2.84 2.9914 5.062 10 12 1762 3 2.81 2.9383 5.344 10 12 1765 3 2.96 2.7008 5.348 10 12 1768 3 2.92 3.0231 5.001 10 12 1771 3 2.88 2.6745 4.848 10 12 1799 3 2.82 2.6308 5.055 10 12 1845 3 2.85 2.6877 5.030 10 12 1861 3 2.93 2.6925 4.760 10 12 1863 3 2.86 2.3814 5.009 10 12 1864 3 2.83 2.9458 4.711 10 12 1865 3 2.98 2.3528 5.300 10 12 1870 3 2.83 2.6008 5.145 10 12 1895 3 2.86 2.9213 4.891 10 12 1903 3 2.78 2.8608 5.052 10 12 1918 3 2.95 2.3595 5.337 10 12 1924 3 2.78 2.3070 5.123 10 12 1933 3 2.85 2.7489 5.289 10 12 1959 3 2.91 2.1117 5.013 10 12 2057 3 2.87 2.7185 5.537 10 12 2058 3 2.92 2.6390 5.562 10 12 2060 3 2.92 2.1934 5.269 10 12 2061 3 2.90 1.8737 5.274 10 12 2085 3 2.86 2.6140 5.152 10 12 2152 3 2.97 2.4583 5.060 10 12 2341 3 2.86 2.5253 4.881 10 12 2342 3 2.98 2.6173 4.389 ## Starting information for simulation # 13 ## Starting information for simulation # 14 10 14 8863 3 2.76 2.2706 11.385 ## Starting information for simulation # 15 ## Starting information for simulation # 16 ## Starting information for simulation # 17 10 17 5726 3 2.99 2.9174 6.240 10 17 5729 3 2.97 2.5428 6.294 10 17 5732 3 2.83 2.9293 5.015 10 17 8394 3 2.88 2.1628 4.576 10 17 8404 3 2.85 3.0927 6.770 10 17 8457 3 2.75 2.0867 4.884 10 17 8474 3 2.86 2.6701 5.373 10 17 8478 3 2.79 2.7004 4.828 10 17 8481 3 2.84 2.5367 4.886 10 17 8483 3 2.92 2.5255 5.085 10 17 8532 3 2.99 2.7424 5.210 10 17 8533 3 2.85 1.9601 5.177 10 17 8564 3 2.88 2.2165 4.893 10 17 8566 3 2.93 2.5920 5.016 10 17 8568 3 2.93 2.9474 5.242 10 17 8573 3 2.76 2.3984 5.060 10 17 8677 3 2.90 2.7247 5.416 10 17 8678 3 2.99 2.9758 5.254 10 17 8679 3 2.90 2.6466 5.313 10 17 8680 3 2.85 3.0081 5.200 10 17 8682 3 2.72 2.6816 5.305 10 17 8683 3 2.81 2.9233 5.361 10 17 8684 3 2.93 2.7456 4.946 10 17 8690 3 2.89 2.9274 5.076 10 17 8693 3 2.91 2.6439 4.330 10 17 8694 3 2.73 2.3551 4.707 10 17 8886 3 2.98 1.9188 5.084 10 17 8898 3 2.95 2.3734 4.739 10 17 8908 3 2.82 2.4835 5.117 10 17 8911 3 2.90 1.7705 5.275 10 17 8912 3 2.85 2.8560 5.201 10 17 8967 3 2.85 3.0112 5.124 10 17 9090 3 2.81 2.4649 5.196 10 17 9092 3 2.86 2.5338 4.992 10 17 9100 3 2.93 3.0325 5.195 10 17 9102 3 2.97 2.5075 5.696 10 17 9105 3 2.92 2.9476 5.156 10 17 9106 3 2.80 2.6205 5.569 10 17 9108 3 2.83 2.7428 5.904 10 17 9109 3 2.93 2.8962 6.014 10 17 9111 3 2.94 2.6761 5.741 10 17 9112 3 2.92 2.4908 6.225 10 17 9113 3 2.82 2.9544 5.296 10 17 9114 3 2.88 2.7551 5.896 10 17 9117 3 2.89 2.1853 5.500 10 17 9118 3 2.88 2.8948 5.778 10 17 9123 3 2.83 2.3853 5.530 10 17 9137 3 2.76 2.6337 5.663 10 17 9139 3 2.79 2.7411 5.699 10 17 9141 3 2.75 2.4371 5.260 10 17 9142 3 2.82 3.0882 5.177 10 17 9148 3 2.80 1.8711 5.545 10 17 9149 3 2.94 2.7268 6.348 10 17 9154 3 2.97 2.2550 5.744 10 17 9157 3 2.91 3.0214 5.326 10 17 9159 3 2.99 2.9220 5.216 10 17 9162 3 2.90 1.8829 5.287 10 17 9167 3 2.73 2.2040 5.127 10 17 9184 3 3.00 2.2554 4.829 10 17 9259 3 2.76 2.5051 4.817 10 17 9268 3 2.87 2.5180 5.581 10 17 9270 3 2.97 2.0857 5.708 10 17 9271 3 2.87 2.3924 5.831 10 17 9293 3 2.78 2.7923 5.088 10 17 9294 3 2.90 2.3189 4.924 10 17 9311 3 2.96 2.6820 5.690 10 17 9344 3 2.86 2.3883 5.048 10 17 9370 3 2.75 2.7157 5.186 10 17 9372 3 2.91 2.7571 5.209 10 17 9373 3 2.89 2.7720 5.621 10 17 9374 3 2.78 2.5945 5.776 10 17 9381 3 2.98 2.5383 5.225 10 17 9382 3 2.97 2.5962 5.036 10 17 9383 3 2.91 2.3522 4.852 10 17 9426 3 2.96 2.6404 5.141 10 17 9429 3 2.80 3.0004 5.177 10 17 9432 3 2.98 2.8109 5.351 10 17 9433 3 2.99 3.0431 5.242 10 17 9434 3 2.76 2.7220 5.055 10 17 9435 3 2.95 2.7804 5.085 10 17 9439 3 2.83 2.4066 5.099 10 17 9446 3 2.98 2.4007 5.862 10 17 9448 3 2.90 2.9039 5.479 10 17 9466 3 2.75 2.5860 4.684 10 17 9560 3 2.92 2.0880 4.529 ## Starting information for simulation # 18 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 10 21 863 3 2.93 2.5440 8.058 10 21 1117 3 2.83 2.6087 8.317 10 21 1123 3 2.73 2.0427 8.372 10 21 1128 3 2.90 2.0820 8.344 10 21 1424 3 2.95 3.0063 8.322 ## Starting information for simulation # 22 10 22 364 3 2.93 2.0629 7.115 10 22 378 3 2.86 1.8521 7.132 10 22 452 3 2.97 2.1030 7.066 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 10 25 3073 3 2.64 2.7744 6.167 ## Starting information for simulation # 26 10 26 4693 3 2.76 2.2449 5.119 10 26 4765 3 2.78 2.6123 5.786 10 26 4766 3 2.89 2.7702 5.999 10 26 6803 3 2.89 2.9955 5.301 10 26 6804 3 2.71 2.3457 5.115 ## Starting information for simulation # 27 ## Starting information for simulation # 28 10 28 1121 3 2.87 2.7454 11.191 ## Starting information for simulation # 29 10 29 3152 3 2.83 2.7227 6.427 10 29 3156 3 2.92 2.5612 5.721 10 29 3159 3 2.84 2.0230 6.095 10 29 3161 3 2.67 2.2545 6.449 10 29 3164 3 2.85 1.9520 6.124 10 29 3301 3 2.93 1.7787 4.303 10 29 3475 3 2.93 2.2984 4.896 10 29 3486 3 2.99 1.7599 4.090 10 29 4292 3 2.93 1.9958 4.158 10 29 4906 3 2.80 2.1785 5.651 10 29 4907 3 2.90 2.4281 5.929 10 29 6276 3 2.90 2.2000 6.330 10 29 6282 3 2.70 2.8376 5.709 10 29 6286 3 2.79 2.3869 6.113 10 29 6628 3 2.91 1.8690 5.205 10 29 7604 3 2.97 2.1352 5.915 10 29 7622 3 2.78 2.2743 6.146 10 29 7928 3 2.73 2.6150 6.628 10 29 7941 3 2.76 2.8488 6.590 10 29 7945 3 2.95 2.4066 7.104 10 29 7949 3 2.88 2.1765 5.525 10 29 9156 3 2.79 1.9388 4.319 10 29 9160 3 2.96 2.5409 4.347 10 29 9300 3 2.71 2.1011 4.757 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32 10 32 7161 3 2.77 2.7477 6.515 ## Starting information for simulation # 33 ## Starting information for simulation # 34 10 34 1860 3 2.93 2.8784 7.473 ## Starting information for simulation # 35 10 35 9703 3 2.92 1.9934 7.154 ## Starting information for simulation # 36 ## Starting information for simulation # 37 ## Starting information for simulation # 38 ## Starting information for simulation # 39 ## Starting information for simulation # 40 ## Starting information for simulation # 41 ## Starting information for simulation # 42 10 42 1425 3 2.87 2.7672 4.705 10 42 1434 3 2.85 2.0358 5.622 10 42 1439 3 2.96 2.9004 4.773 10 42 1441 3 2.76 2.5342 5.360 10 42 1442 3 2.91 2.4714 5.262 10 42 1443 3 2.82 2.5275 5.143 10 42 1518 3 2.87 2.3739 5.215 10 42 1520 3 2.82 2.4303 4.930 10 42 1521 3 2.93 3.0644 5.047 10 42 1595 3 2.90 2.3548 4.656 10 42 1596 3 2.89 2.6551 4.881 10 42 1597 3 2.84 2.1211 5.316 10 42 1614 3 2.91 2.4232 5.097 10 42 1629 3 2.89 2.9933 4.986 10 42 1631 3 2.96 3.0757 5.013 10 42 1675 3 2.84 1.8691 5.474 10 42 1723 3 2.95 2.4289 5.006 10 42 1724 3 2.99 3.0965 4.881 10 42 1747 3 2.91 2.1892 5.056 10 42 1766 3 2.79 2.3280 5.434 10 42 1773 3 2.89 2.0501 5.217 10 42 1830 3 2.87 2.5625 4.886 10 42 1831 3 2.88 2.6183 5.111 10 42 1832 3 2.84 1.8890 4.884 10 42 1841 3 2.87 2.3760 5.386 10 42 1875 3 2.95 2.2005 5.294 10 42 1922 3 2.76 2.1149 4.839 10 42 1946 3 2.82 2.0777 4.989 10 42 1949 3 2.75 1.9568 4.477 10 42 2235 3 2.99 2.2555 6.648 10 42 2459 3 2.89 2.4510 5.221 10 42 2484 3 2.96 2.9118 5.049 10 42 2498 3 2.98 2.5293 5.296 10 42 2503 3 2.98 2.6655 4.946 ## Starting information for simulation # 43 ## Starting information for simulation # 44 10 44 8502 3 2.89 2.8455 10.265 10 44 8519 3 2.99 2.4106 10.500 10 44 9642 3 2.93 2.3237 10.375 10 44 9661 3 2.78 2.0077 10.136 10 44 9755 3 2.84 2.2795 10.071 10 44 9763 3 3.00 2.1493 10.304 ## Starting information for simulation # 45 ## Starting information for simulation # 46 ## Starting information for simulation # 47 10 47 7575 3 2.88 1.8330 9.780 10 47 7578 3 2.90 2.5292 9.567 10 47 7603 3 2.93 2.2754 9.698 10 47 7652 3 2.97 1.7959 10.273 10 47 7911 3 2.90 2.1600 8.934 10 47 7933 3 2.71 2.0163 9.195 ## Starting information for simulation # 48 10 48 1191 3 2.94 2.6312 9.660 10 48 1201 3 2.91 2.5417 8.948 10 48 1478 3 2.92 2.2326 8.779 10 48 1659 3 2.99 2.5306 8.475 10 48 1661 3 2.90 2.6658 8.347 10 48 1665 3 2.90 2.4393 7.810 10 48 1675 3 2.84 2.2352 8.058 10 48 1678 3 2.78 2.0781 8.888 10 48 1680 3 2.81 1.9706 8.285 10 48 1750 3 2.81 2.0265 7.831 10 48 1751 3 2.91 2.0925 9.180