# Bonding information for index 259 -- THR_7@O NHE_11@HN1 NHE_11@N # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 259 1 4838 3 2.87 2.3688 8.463 259 1 4848 3 2.95 2.6123 8.403 259 1 4895 3 2.97 2.5429 10.730 259 1 4896 3 2.95 2.4527 11.481 259 1 4989 3 2.86 1.8502 10.443 259 1 6329 3 2.92 2.3011 10.048 ## 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 # 9 259 9 62 3 3.00 2.5165 7.902 259 9 69 3 2.96 2.6477 7.554 259 9 187 3 2.75 2.0874 6.631 259 9 216 3 2.89 2.6924 5.985 259 9 221 3 2.83 3.0201 6.391 259 9 222 3 2.98 2.6172 6.566 259 9 224 3 2.88 2.9417 5.591 259 9 5816 3 2.93 2.6431 7.297 259 9 5820 3 2.89 2.3395 7.537 259 9 5821 3 2.88 2.5490 7.187 259 9 5838 3 2.89 2.4642 7.414 259 9 5844 3 2.83 2.5493 7.112 259 9 5869 3 2.89 2.3921 6.836 259 9 5870 3 2.69 2.3404 6.695 259 9 5879 3 2.92 2.4492 6.545 259 9 10504 3 2.97 2.9060 7.163 259 9 10510 3 2.99 2.2964 8.112 259 9 10516 3 2.86 2.0522 6.789 259 9 10519 3 2.95 2.2296 6.617 259 9 10921 3 2.90 2.3660 6.604 259 9 10932 3 2.84 2.4550 6.729 259 9 10949 3 3.00 2.6320 6.325 259 9 10954 3 2.95 2.3472 5.780 259 9 11011 3 3.00 2.6759 6.486 259 9 11013 3 2.98 2.7195 6.625 ## Starting information for simulation # 10 ## Starting information for simulation # 11 259 11 960 3 2.97 2.3515 10.937 259 11 966 3 2.84 2.3739 11.106 259 11 968 3 2.96 2.5310 10.147 259 11 1026 3 2.98 2.6524 11.828 259 11 2452 3 2.94 2.0682 12.260 259 11 2464 3 2.95 2.2913 12.528 259 11 2522 3 2.87 2.5563 13.233 259 11 2523 3 2.71 2.6319 13.935 259 11 2541 3 2.90 2.3355 13.164 259 11 2542 3 2.96 2.2642 12.844 259 11 3451 3 2.86 2.1991 11.924 259 11 3562 3 2.99 2.6589 11.480 259 11 3566 3 2.82 2.5311 11.704 259 11 3705 3 2.92 2.6286 7.659 259 11 3707 3 2.99 2.3310 8.476 259 11 4585 3 2.99 2.4334 7.071 259 11 4676 3 2.89 2.8221 7.036 259 11 4691 3 2.93 2.1381 7.604 259 11 4911 3 2.78 2.4874 6.810 259 11 4925 3 2.83 2.6662 7.357 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 259 14 113 3 2.96 2.4601 7.758 259 14 487 3 2.83 2.6543 8.611 259 14 488 3 2.91 2.5182 8.030 ## Starting information for simulation # 15 ## Starting information for simulation # 16 259 16 487 3 2.91 2.5633 8.655 259 16 667 3 2.86 2.5772 8.699 259 16 669 3 2.73 2.5716 8.215 259 16 670 3 2.95 2.0764 8.692 259 16 840 3 2.96 2.6289 7.241 259 16 852 3 2.91 2.4277 6.672 259 16 873 3 2.94 2.1018 6.683 259 16 1790 3 2.90 1.9165 8.716 259 16 1796 3 2.92 2.6968 9.401 259 16 2943 3 2.95 2.7588 4.098 259 16 2947 3 2.97 1.8500 4.065 259 16 2948 3 2.95 2.6908 4.474 259 16 2950 3 2.89 2.1659 4.353 259 16 2952 3 2.83 2.4596 4.963 259 16 6538 3 2.80 2.4578 4.131 259 16 6570 3 2.99 2.0378 4.424 259 16 6613 3 2.98 2.7303 4.333 259 16 6614 3 2.88 2.5857 3.669 259 16 6615 3 2.95 2.6800 4.050 259 16 6998 3 2.98 2.5761 8.421 259 16 7001 3 2.73 2.4756 7.661 259 16 7010 3 2.98 2.7899 7.808 259 16 7333 3 2.97 1.9308 7.042 259 16 7418 3 2.93 2.3682 8.530 259 16 7507 3 2.78 2.3237 9.373 259 16 7516 3 2.97 2.7050 8.949 259 16 7538 3 2.95 2.3566 8.090 259 16 7549 3 2.99 1.8310 9.119 259 16 7561 3 2.87 2.4327 8.750 259 16 7566 3 2.87 2.6654 7.280 259 16 7779 3 2.93 2.4168 8.094 259 16 7792 3 2.95 2.6648 7.325 259 16 7796 3 2.87 2.3937 8.813 259 16 7797 3 2.91 2.3291 8.986 259 16 7798 3 2.99 2.7017 8.440 259 16 7799 3 2.79 2.5673 7.893 259 16 7800 3 2.72 2.2993 7.322 259 16 7810 3 2.98 2.2563 7.996 259 16 7811 3 2.91 2.6309 8.310 259 16 7815 3 2.96 2.2013 9.289 259 16 7820 3 3.00 2.4083 9.312 259 16 7822 3 2.91 2.2719 7.480 259 16 7830 3 2.98 1.8341 8.532 259 16 7832 3 2.96 2.6109 7.968 259 16 7899 3 2.78 2.5554 8.464 259 16 8457 3 2.97 2.7598 8.143 259 16 9716 3 2.94 2.1476 5.513 259 16 9721 3 2.96 2.0627 5.167 259 16 9722 3 2.93 2.7123 5.160 259 16 9723 3 2.98 1.8831 5.050 259 16 9735 3 2.90 2.5377 5.318 259 16 9736 3 2.74 2.5549 5.340 259 16 9737 3 2.99 1.9229 5.040 259 16 9739 3 2.90 2.3934 5.448 259 16 9744 3 2.81 3.0016 4.976 259 16 9746 3 2.80 2.4948 5.444 259 16 9747 3 2.72 1.9731 5.931 259 16 9752 3 2.82 2.1844 5.035 259 16 9770 3 2.88 2.4320 5.425 259 16 9772 3 2.80 2.2442 5.543 259 16 9783 3 2.82 2.9178 7.509 259 16 9788 3 2.99 1.8928 6.825 259 16 9790 3 2.85 2.3511 6.160 259 16 9791 3 2.86 2.4663 7.279 259 16 9792 3 2.83 3.0210 7.939 259 16 9807 3 2.85 2.2807 6.879 259 16 9841 3 3.00 2.5909 8.587 259 16 9845 3 2.99 2.7804 9.089 259 16 9846 3 2.89 1.9310 8.533 259 16 9851 3 2.95 2.2690 9.188 259 16 9853 3 2.79 2.3938 8.681 259 16 9916 3 2.93 2.9138 9.266 259 16 9924 3 2.92 2.6879 8.896 259 16 10098 3 2.92 3.0745 8.191 259 16 10112 3 2.93 2.5786 7.274 259 16 10127 3 2.99 2.4166 8.135 259 16 10273 3 2.98 2.9186 7.887 259 16 10700 3 2.74 2.7062 8.023 ## Starting information for simulation # 17 ## Starting information for simulation # 18 ## 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 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## Starting information for simulation # 28 ## Starting information for simulation # 29 259 29 9902 3 2.95 2.5771 8.278 259 29 9943 3 2.99 2.6819 5.522 259 29 9953 3 2.78 2.5807 5.387 259 29 9961 3 2.94 2.5807 5.215 259 29 10381 3 2.99 2.7456 6.278 259 29 10390 3 2.79 2.5344 5.325 259 29 10392 3 2.91 2.5056 5.932 259 29 10396 3 2.84 1.8725 5.041 259 29 10400 3 2.75 2.4858 4.600 259 29 10405 3 2.84 2.5606 4.478 259 29 10407 3 2.89 2.3610 4.362 259 29 10409 3 2.88 2.4386 4.295 259 29 10411 3 2.88 2.3174 4.538 259 29 10649 3 2.92 2.7188 8.474 259 29 10658 3 2.99 2.4693 7.127 259 29 10682 3 2.91 2.4365 7.238 259 29 10736 3 2.80 2.7025 4.507 259 29 10744 3 2.90 2.4778 4.448 ## Starting information for simulation # 30 ## Starting information for simulation # 31 259 31 2727 3 2.99 2.2695 9.923 259 31 4685 3 2.98 2.8597 7.375 259 31 5115 3 2.95 2.7300 6.388 259 31 5374 3 2.91 2.1556 6.936 259 31 5378 3 2.92 2.4024 6.964 259 31 5382 3 2.96 2.2713 8.164 259 31 5384 3 2.98 2.8069 7.128 259 31 5433 3 2.99 2.5863 6.681 259 31 5553 3 2.96 2.6399 6.944 259 31 5554 3 2.99 2.3972 6.920 259 31 5559 3 2.91 2.5364 6.526 259 31 5561 3 2.97 2.2398 6.153 259 31 5564 3 2.84 2.3007 6.213 259 31 5591 3 2.87 3.1014 6.672 259 31 5601 3 2.93 2.3960 7.750 259 31 5603 3 2.78 2.0908 7.271 259 31 5604 3 2.92 2.2253 7.164 259 31 5605 3 2.95 2.7905 6.768 259 31 5606 3 2.92 2.6006 7.051 259 31 5610 3 2.99 2.6239 6.798 259 31 5614 3 2.95 2.5810 7.421 259 31 5619 3 2.92 2.6698 6.582 259 31 5620 3 2.83 2.2221 6.142 259 31 5652 3 2.85 2.5295 4.998 259 31 5696 3 2.81 2.4450 6.322 259 31 5701 3 2.97 2.6342 6.311 259 31 5706 3 2.90 2.1703 5.481 259 31 6375 3 2.94 2.0691 6.663 ## Starting information for simulation # 32 ## Starting information for simulation # 33 ## Starting information for simulation # 34 259 34 2361 3 2.92 2.6375 8.147 259 34 2968 3 2.99 2.1686 7.344 259 34 2995 3 2.90 2.2909 7.230 ## Starting information for simulation # 35 259 35 302 3 2.88 2.5872 8.144 259 35 1214 3 2.97 2.6837 6.489 259 35 1301 3 2.94 2.6479 6.598 259 35 1742 3 2.89 2.5292 5.930 259 35 2474 3 2.95 2.6141 8.761 259 35 2495 3 2.80 2.3340 7.136 259 35 2546 3 2.93 2.6602 8.552 259 35 2548 3 2.82 1.9846 8.546 259 35 2550 3 2.95 2.2251 8.865 259 35 3354 3 2.99 2.5589 6.861 259 35 3380 3 2.94 2.3632 6.404 259 35 3393 3 2.92 2.0674 6.638 259 35 3403 3 2.94 2.2020 6.523 259 35 3740 3 2.65 2.7058 6.550 259 35 3758 3 2.98 2.9406 6.920 259 35 4635 3 2.76 2.4952 6.357 259 35 4655 3 2.97 2.0006 6.087 259 35 4828 3 2.94 2.0514 6.790 259 35 5776 3 2.97 2.5725 6.488 259 35 6438 3 2.87 1.9734 9.296 259 35 6440 3 2.76 2.3427 8.955 259 35 6441 3 2.93 2.5236 8.391 259 35 6442 3 3.00 2.4054 7.678 259 35 7893 3 2.98 2.3110 8.621 259 35 7901 3 3.00 2.7351 8.383 259 35 7918 3 2.91 1.9855 8.608 259 35 7935 3 2.97 2.8249 8.040 259 35 7936 3 2.95 2.8038 8.966 259 35 7940 3 2.98 2.5125 8.463 259 35 7968 3 2.99 2.5360 8.440 ## Starting information for simulation # 36 259 36 319 3 2.88 2.3740 12.428 259 36 327 3 2.79 2.6823 12.912 259 36 332 3 2.85 2.0988 12.162 259 36 336 3 2.84 2.0120 12.370 259 36 337 3 2.74 2.7011 11.940 259 36 340 3 2.78 2.7152 12.014 259 36 472 3 2.79 2.5645 12.796 259 36 474 3 2.80 2.3513 12.675 259 36 502 3 2.95 2.3099 12.166 259 36 504 3 2.98 1.9989 11.527 259 36 508 3 2.65 2.6032 11.335 259 36 526 3 2.92 2.8292 10.003 259 36 527 3 2.93 2.6658 10.448 259 36 546 3 2.89 2.6183 11.426 259 36 547 3 2.97 1.9235 11.653 259 36 554 3 2.84 2.3142 10.960 259 36 562 3 2.83 2.8900 12.042 259 36 564 3 2.95 2.2365 12.229 259 36 738 3 2.94 2.4674 12.081 259 36 746 3 2.81 2.5474 9.914 ## 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 # 42 259 42 3077 3 2.75 2.4261 10.032 259 42 3103 3 2.94 2.3240 12.022 259 42 3126 3 2.89 2.5549 11.998 ## Starting information for simulation # 43 ## Starting information for simulation # 44 ## Starting information for simulation # 45 ## Starting information for simulation # 46 ## Starting information for simulation # 47 ## Starting information for simulation # 48