# Bonding information for index 546 -- LYS_8@O 0MA_14@H6O 0MA_14@O6 # 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 # 7 546 7 2385 2 2.92 2.8831 9.242 546 7 2386 2 2.58 2.8539 9.791 546 7 2387 2 2.78 2.5939 8.983 546 7 2388 2 2.73 2.1112 9.258 546 7 2389 2 2.77 2.8301 8.696 546 7 2390 2 2.73 2.9427 8.855 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 546 10 7456 2 2.72 2.6099 9.602 ## Starting information for simulation # 11 546 11 5712 2 2.71 2.7645 10.885 546 11 5713 2 2.93 2.9728 10.986 546 11 5714 2 2.76 3.0162 10.727 546 11 5715 2 2.79 2.8442 11.027 546 11 5716 2 2.69 2.9565 10.384 546 11 5717 2 2.86 2.8795 10.832 546 11 5718 2 2.83 2.8332 10.523 546 11 5719 2 2.79 2.5724 10.250 546 11 5720 2 2.62 2.7174 10.568 546 11 5721 2 2.75 2.9123 10.105 546 11 5722 2 2.63 2.8228 10.553 546 11 5723 2 2.80 2.8275 10.586 546 11 5724 2 2.91 2.9076 10.829 546 11 5725 2 2.67 3.1049 10.812 546 11 5726 2 2.54 3.0106 11.287 546 11 5727 2 2.66 2.4845 10.641 546 11 5728 2 2.83 3.0862 10.933 546 11 5729 2 2.56 2.8298 10.997 546 11 5730 2 2.91 2.7860 11.076 546 11 5731 2 2.63 2.8622 10.523 546 11 5732 2 2.58 3.0757 10.490 546 11 5733 2 2.79 2.8597 10.738 546 11 5734 2 2.93 2.6905 10.069 546 11 5735 2 2.75 2.7631 10.737 546 11 5736 2 2.85 3.0901 10.613 546 11 5737 2 2.62 2.6276 10.187 546 11 5738 2 2.80 2.7487 10.260 546 11 5739 2 2.84 2.6046 10.555 546 11 5740 2 2.73 2.6407 10.302 546 11 5741 2 2.63 2.8456 10.560 546 11 5742 2 2.84 3.0193 10.648 546 11 5743 2 2.70 3.1095 11.232 546 11 5744 2 2.59 2.8248 10.596 546 11 5745 2 2.96 2.8340 10.920 546 11 5746 2 2.78 2.9389 11.594 546 11 5747 2 2.68 3.1189 10.822 546 11 5748 2 2.79 2.5256 10.829 546 11 5749 2 2.82 2.9496 10.876 546 11 5750 2 2.58 3.0810 10.478 546 11 5751 2 2.53 2.8288 10.616 546 11 5752 2 2.64 2.9442 10.930 546 11 5753 2 2.87 2.9315 10.885 546 11 5754 2 2.86 2.7337 11.258 546 11 5755 2 2.68 2.7960 11.295 546 11 5756 2 2.63 2.6928 10.951 546 11 5757 2 2.67 2.8560 11.604 546 11 5758 2 2.64 3.0089 11.242 546 11 5759 2 2.62 2.9233 11.104 546 11 5760 2 2.75 2.9890 10.924 546 11 5761 2 2.83 2.5892 11.868 546 11 5763 2 2.70 2.5955 11.745 546 11 5764 2 2.81 3.0250 11.318 546 11 5765 2 2.88 2.7182 11.527 546 11 5766 2 2.70 3.0391 11.550 546 11 5767 2 2.75 2.6662 11.254 546 11 5768 2 2.78 2.3429 11.158 546 11 5769 2 2.67 2.5826 10.856 546 11 5771 2 2.72 2.7671 11.360 546 11 5772 2 2.72 2.9200 11.317 546 11 5773 2 2.84 3.0067 10.795 546 11 5774 2 2.90 2.8982 10.586 546 11 5775 2 2.92 2.8496 11.214 546 11 5776 2 2.92 2.4938 10.658 546 11 5777 2 2.66 2.9440 10.311 546 11 5778 2 2.84 2.7638 10.228 546 11 5779 2 2.85 2.4934 9.986 546 11 5780 2 2.67 2.9271 9.946 546 11 5781 2 2.65 2.7641 10.111 546 11 5783 2 2.77 2.5662 10.720 546 11 5784 2 2.61 2.8100 11.211 546 11 5786 2 2.64 2.7795 10.933 546 11 5787 2 2.83 2.7457 10.516 546 11 5789 2 2.70 3.0691 10.853 546 11 5790 2 2.79 2.6601 11.110 546 11 5791 2 2.61 3.0632 10.481 546 11 5792 2 2.80 2.6976 10.717 546 11 5793 2 2.98 2.5990 11.206 546 11 5794 2 2.80 2.7981 11.065 546 11 5795 2 2.72 2.6350 10.965 546 11 5796 2 2.78 2.7952 10.767 546 11 5797 2 2.93 2.6362 11.007 546 11 5798 2 2.71 3.0501 11.166 546 11 5800 2 2.74 2.8712 10.989 546 11 5801 2 2.71 2.7337 10.226 546 11 5802 2 2.77 2.9933 11.139 546 11 5803 2 2.62 2.6343 11.382 546 11 5804 2 2.63 3.0865 10.739 546 11 5805 2 2.83 2.9738 10.547 546 11 5806 2 2.83 2.9276 10.712 546 11 5807 2 2.70 2.9258 11.018 546 11 5808 2 2.69 2.8780 10.939 546 11 5809 2 2.60 2.5114 10.375 546 11 5810 2 2.77 2.7317 11.230 546 11 5811 2 2.73 3.0015 11.144 546 11 5812 2 2.86 2.5798 11.335 546 11 5813 2 2.85 2.6378 11.478 546 11 5814 2 2.70 2.9446 11.176 546 11 5815 2 2.64 2.8612 10.795 546 11 5816 2 2.87 2.8095 10.947 546 11 5817 2 2.79 3.0318 11.298 546 11 5819 2 2.73 2.6697 11.624 546 11 5820 2 2.68 2.5039 11.869 546 11 5821 2 2.95 2.8099 11.582 546 11 5822 2 2.73 2.8463 11.138 546 11 5823 2 2.81 2.8319 11.204 546 11 5826 2 2.62 3.0760 10.518 546 11 5828 2 2.86 2.9342 10.838 546 11 5829 2 2.85 2.7041 10.641 546 11 5830 2 2.70 2.9456 10.673 546 11 5831 2 2.62 2.7444 10.570 546 11 5832 2 2.71 2.8325 11.068 546 11 5833 2 2.96 2.4952 10.220 546 11 5835 2 2.65 2.7978 10.641 546 11 5836 2 2.66 2.9424 10.971 546 11 5837 2 2.76 2.7571 10.873 546 11 5838 2 2.49 3.1133 10.888 546 11 5839 2 2.96 3.0199 10.799 546 11 5840 2 2.91 2.8111 10.983 546 11 5841 2 2.84 2.8021 11.585 546 11 5842 2 2.66 3.0189 10.818 546 11 5843 2 2.68 2.4625 10.768 546 11 5844 2 2.69 2.4857 10.666 546 11 5845 2 2.71 3.1002 11.332 546 11 5846 2 2.73 2.9716 11.411 546 11 5847 2 2.73 2.7248 10.242 546 11 5848 2 2.57 2.9930 10.811 546 11 5849 2 2.62 2.9237 11.099 546 11 5850 2 2.74 2.8274 11.111 546 11 5851 2 2.73 2.9352 11.159 546 11 5852 2 2.68 2.6672 11.079 546 11 5853 2 2.61 2.9209 10.427 ## Starting information for simulation # 12 ## Starting information for simulation # 13 546 13 3673 2 2.65 2.4584 12.401 546 13 3675 2 2.69 2.7682 12.657 546 13 3676 2 2.63 3.0368 12.961 546 13 3677 2 2.69 2.7477 12.432 546 13 3678 2 2.58 2.9386 12.991 546 13 3679 2 2.86 2.8286 12.279 546 13 3680 2 2.77 2.6605 12.515 546 13 3681 2 2.65 2.8521 12.207 546 13 3682 2 2.99 3.0107 12.085 546 13 3683 2 2.93 2.9556 12.085 546 13 3685 2 2.68 3.0463 12.059 546 13 3686 2 2.83 2.9254 12.141 546 13 3687 2 2.75 2.9115 11.963 546 13 3688 2 2.97 2.5561 12.235 546 13 3689 2 2.86 2.6830 11.991 546 13 3690 2 2.74 2.9430 12.147 546 13 3692 2 2.65 2.7895 11.812 546 13 3693 2 2.71 2.9092 12.431 546 13 3696 2 2.73 2.7920 12.084 546 13 3697 2 2.74 2.7965 12.039 546 13 3698 2 2.89 2.8139 11.523 546 13 3699 2 2.74 2.8341 11.827 546 13 3700 2 2.94 2.6952 12.266 546 13 3701 2 2.60 2.8926 12.113 546 13 3702 2 2.76 2.3980 12.531 546 13 3703 2 2.76 2.9490 11.751 546 13 3704 2 2.63 2.7282 12.529 546 13 3705 2 2.86 3.0665 12.366 546 13 3706 2 2.77 2.4661 12.221 546 13 3707 2 2.89 2.6103 12.198 546 13 4163 2 2.72 2.4156 12.608 546 13 4164 2 2.88 2.9420 12.244 546 13 4165 2 2.84 2.8492 12.376 546 13 4166 2 2.81 3.0583 12.053 546 13 4167 2 2.61 2.8055 12.535 546 13 4168 2 2.90 2.4982 12.711 546 13 4169 2 2.89 2.4750 12.766 546 13 4170 2 2.87 2.6436 12.464 546 13 4171 2 2.67 2.5401 13.095 546 13 4172 2 2.74 2.5051 12.397 546 13 4318 2 2.89 2.9990 12.233 546 13 4320 2 2.64 2.6945 12.315 546 13 4321 2 2.83 2.6368 12.016 546 13 4322 2 2.78 3.0199 11.865 546 13 4323 2 2.88 2.9210 12.764 546 13 4324 2 2.81 3.0988 12.392 546 13 4325 2 2.53 3.0283 12.401 546 13 4326 2 2.57 3.0227 12.078 546 13 4327 2 2.68 3.0541 11.738 546 13 4328 2 2.84 2.9623 11.696 546 13 4330 2 2.76 2.9595 11.465 546 13 4331 2 2.88 2.3513 11.767 546 13 4332 2 2.87 2.8092 11.766 546 13 4333 2 2.71 2.6725 11.846 546 13 4334 2 2.72 2.8344 11.470 546 13 4335 2 2.93 2.5252 12.196 546 13 4336 2 2.62 2.7397 11.313 546 13 4337 2 2.79 3.0058 11.504 546 13 4338 2 2.73 2.9870 11.065 546 13 4339 2 2.91 2.7474 10.740 546 13 4340 2 2.73 2.9761 11.321 546 13 4341 2 2.78 2.9223 11.198 546 13 4342 2 2.74 2.9715 11.683 546 13 4344 2 2.76 3.0561 11.993 546 13 4345 2 2.69 3.0326 12.773 546 13 4372 2 2.89 2.7533 11.748 546 13 4373 2 2.64 2.6605 11.970 546 13 4374 2 2.70 2.8997 12.115 546 13 4375 2 2.88 2.9569 12.499 546 13 4376 2 2.74 2.7790 12.765 546 13 4377 2 2.93 2.6106 12.187 546 13 4378 2 2.79 2.4081 12.822 546 13 4380 2 2.77 2.8761 12.607 546 13 4381 2 2.91 2.6369 12.409 546 13 4382 2 2.85 2.3790 12.714 546 13 5229 2 2.76 3.0781 11.827 546 13 5230 2 2.75 2.8108 12.058 546 13 5231 2 2.92 2.5894 12.712 546 13 5232 2 2.72 2.6683 11.976 546 13 5233 2 2.85 2.3136 12.226 546 13 5234 2 2.80 2.6753 12.571 546 13 5235 2 2.70 2.7694 12.080 546 13 5236 2 2.59 2.8756 11.794 546 13 5237 2 2.92 2.5321 11.851 546 13 5238 2 2.73 2.8681 12.167 546 13 5239 2 2.69 2.7421 11.740 546 13 5240 2 2.51 2.6960 11.803 546 13 5241 2 2.94 2.9985 11.848 546 13 5242 2 2.85 2.7405 12.193 546 13 5243 2 2.79 2.6042 12.381 546 13 5244 2 2.70 2.6177 11.911 546 13 5245 2 2.66 2.9352 12.880 546 13 5246 2 2.73 2.9867 12.483 546 13 5247 2 2.69 2.7733 11.872 546 13 5248 2 2.70 2.7242 11.948 546 13 5282 2 2.85 2.7406 11.050 546 13 5283 2 2.62 2.4892 11.024 546 13 5284 2 2.55 2.7188 11.611 546 13 5285 2 2.86 2.9727 11.487 546 13 5286 2 2.74 2.6678 11.373 546 13 5287 2 2.70 2.6713 11.263 546 13 5288 2 2.59 3.0382 10.892 546 13 5289 2 2.61 2.5144 10.894 546 13 5290 2 2.64 2.7589 11.295 546 13 5291 2 2.93 2.8448 10.920 546 13 5292 2 2.71 2.7306 10.815 546 13 5294 2 2.78 2.7368 11.105 546 13 5297 2 2.76 2.5562 11.313 546 13 5298 2 2.84 2.9176 12.192 546 13 5299 2 2.67 3.1094 10.973 546 13 5300 2 2.71 2.7525 11.610 546 13 5301 2 2.95 3.0015 11.390 546 13 5302 2 2.61 2.8492 12.233 546 13 5303 2 2.88 2.8218 12.357 546 13 5304 2 2.74 2.5176 12.052 546 13 5305 2 2.64 2.6759 12.468 546 13 5306 2 2.65 2.5151 12.147 546 13 5308 2 2.83 2.5004 11.648 546 13 5309 2 2.75 2.5755 11.495 546 13 5310 2 2.73 2.4354 11.245 546 13 5311 2 2.88 2.5956 11.780 546 13 5312 2 2.65 2.6424 12.040 546 13 5313 2 2.98 2.6495 11.477 546 13 5314 2 2.62 2.9953 12.163 546 13 5315 2 2.79 2.9302 11.395 546 13 5316 2 2.86 2.8401 11.552 546 13 5319 2 2.76 2.6287 11.404 546 13 5321 2 2.68 2.9610 11.889 546 13 5335 2 2.75 2.6872 11.784 546 13 5336 2 2.61 3.0243 12.417 546 13 5337 2 2.97 2.8043 12.401 546 13 5338 2 2.75 2.8000 12.483 546 13 5339 2 2.71 2.8145 12.037 546 13 5340 2 2.65 3.0866 12.031 546 13 5341 2 2.86 2.6960 12.451 546 13 5343 2 2.87 3.1219 12.110 546 13 5344 2 2.88 2.6813 11.639 546 13 5345 2 2.76 2.9360 11.874 546 13 5346 2 2.69 2.3952 11.690 546 13 5347 2 2.92 2.7400 11.833 546 13 5348 2 2.57 2.7406 11.973 546 13 5349 2 2.65 2.7871 12.125 546 13 5350 2 2.80 2.9508 12.157 546 13 5352 2 2.79 2.5329 12.369 546 13 5353 2 2.78 2.5981 11.856 546 13 5354 2 2.68 2.6924 12.213 546 13 5355 2 2.82 2.4628 12.671 546 13 5356 2 2.65 3.0317 12.110 546 13 5358 2 2.80 3.0840 11.747 546 13 5359 2 2.67 2.8942 12.443 546 13 5360 2 2.99 2.8332 12.724 546 13 6037 2 2.66 2.5142 11.599 546 13 6193 2 2.68 2.8068 11.939 546 13 6194 2 2.86 2.7208 11.904 546 13 6195 2 2.61 2.8993 11.758 546 13 6196 2 2.72 2.7302 11.889 546 13 6197 2 2.59 2.8792 11.764 546 13 6198 2 2.71 2.6648 12.595 546 13 6200 2 2.73 2.7124 11.898 546 13 6201 2 2.61 2.6892 11.789 546 13 6202 2 2.72 2.9024 12.409 546 13 6203 2 2.77 2.4737 12.504 546 13 6204 2 2.84 2.5710 11.821 546 13 6205 2 2.74 2.6391 12.276 546 13 6206 2 2.95 2.6486 12.420 546 13 6207 2 2.76 2.5811 12.013 546 13 6208 2 2.88 2.8781 12.091 546 13 6209 2 2.90 2.8711 11.550 546 13 6210 2 2.75 2.4686 12.175 546 13 6211 2 2.90 2.8255 12.164 546 13 6212 2 2.81 2.3400 11.963 546 13 6213 2 2.97 2.8201 11.797 546 13 6214 2 2.69 2.7125 11.802 546 13 6215 2 2.61 2.5335 11.860 546 13 6216 2 2.78 2.6648 11.801 546 13 6217 2 2.62 2.9658 11.886 546 13 6218 2 2.66 2.8743 11.751 546 13 6219 2 2.71 3.0136 12.401 546 13 6220 2 2.78 2.8133 12.518 546 13 6221 2 2.76 2.3819 12.035 546 13 6222 2 2.87 2.8749 12.560 546 13 6224 2 2.84 2.5804 11.879 546 13 6225 2 2.71 2.9895 12.505 546 13 6227 2 2.64 2.6889 11.913 546 13 6228 2 2.75 2.7517 12.212 546 13 6229 2 2.93 2.8424 12.380 546 13 6230 2 2.61 2.9604 12.342 546 13 6231 2 2.73 2.4610 12.217 546 13 6232 2 2.64 2.7407 12.677 546 13 6233 2 2.62 2.6271 11.744 546 13 6545 2 2.77 2.3599 11.886 546 13 7261 2 2.77 2.7546 12.365 546 13 7262 2 2.83 2.5288 12.009 546 13 7264 2 2.84 2.6846 11.738 546 13 7265 2 2.92 2.7812 11.515 546 13 7267 2 2.71 3.0883 11.689 546 13 7268 2 2.66 3.1161 11.759 546 13 7269 2 2.67 2.6379 11.740 546 13 7270 2 2.73 2.9819 11.472 546 13 7271 2 2.87 3.0645 11.975 546 13 7272 2 2.67 2.7827 11.446 546 13 7273 2 2.88 2.7093 12.182 546 13 7274 2 2.77 2.7976 11.709 546 13 7275 2 2.70 2.5278 12.250 546 13 7276 2 2.74 3.0000 11.871 546 13 7287 2 2.76 2.8099 11.297 546 13 7564 2 2.57 2.8898 11.359 546 13 7567 2 2.94 2.7682 11.765 546 13 8025 2 2.71 2.5504 11.946 546 13 8026 2 2.75 2.7084 12.017 546 13 8027 2 2.79 2.9319 11.350 546 13 8030 2 2.56 2.7604 12.083 546 13 8031 2 2.95 2.7609 11.648 546 13 8032 2 2.78 2.3495 11.615 546 13 8033 2 2.62 2.6357 11.965 546 13 8034 2 2.84 2.6734 11.903 546 13 8035 2 2.84 2.9379 11.323 546 13 8037 2 2.99 2.5927 11.621 546 13 8038 2 2.79 2.9973 11.767 546 13 8039 2 2.94 2.7089 11.218 546 13 8040 2 2.99 2.2683 11.436 546 13 8041 2 2.80 3.0178 12.188 546 13 8042 2 2.76 2.7412 11.390 546 13 8043 2 2.75 2.9574 11.777 546 13 8044 2 2.79 3.1171 12.031 546 13 8045 2 2.79 2.3830 12.261 546 13 8046 2 2.69 2.7932 11.325 546 13 8047 2 2.91 2.9678 11.960 546 13 8049 2 2.96 2.4982 12.372 546 13 8050 2 2.65 2.9317 12.077 546 13 8051 2 2.68 2.8085 11.767 546 13 8054 2 2.63 2.6974 11.696 546 13 8059 2 2.66 2.9332 11.535 546 13 8060 2 2.92 3.0001 11.174 546 13 8061 2 2.86 2.5727 11.866 546 13 8062 2 2.91 2.6477 11.426 546 13 8063 2 2.91 2.5425 11.689 546 13 8064 2 2.81 3.0168 11.846 546 13 8065 2 2.73 2.6535 11.425 546 13 8066 2 2.62 2.8528 10.893 546 13 8067 2 2.86 2.8683 11.155 546 13 8068 2 2.60 2.9311 11.853 546 13 8069 2 2.69 2.5796 11.938 546 13 8071 2 2.60 2.8332 11.422 546 13 8072 2 2.79 2.9482 11.976 546 13 8073 2 2.79 2.6787 11.605 546 13 8074 2 2.94 2.7218 11.835 546 13 8075 2 2.83 2.7943 11.415 546 13 8076 2 2.95 2.9239 12.033 546 13 8077 2 2.82 2.8866 11.291 546 13 8078 2 2.94 2.7318 11.408 546 13 8079 2 2.72 2.8796 11.143 546 13 8082 2 2.81 2.7529 11.152 546 13 8083 2 2.75 2.8907 10.996 546 13 8085 2 2.66 2.7119 10.079 546 13 8086 2 2.78 2.9950 10.624 546 13 8087 2 2.79 2.9186 11.080 546 13 8088 2 2.81 2.4072 10.038 546 13 8089 2 2.86 2.8059 10.745 546 13 8091 2 2.96 2.6153 11.553 546 13 8092 2 2.78 2.9994 10.649 546 13 8763 2 2.64 2.8952 11.403 546 13 8764 2 2.95 2.7573 11.605 ## Starting information for simulation # 14 ## Starting information for simulation # 15 ## Starting information for simulation # 16 546 16 936 2 2.94 1.7808 8.737 546 16 937 2 2.86 2.5983 9.203 546 16 938 2 2.85 2.5639 8.937 546 16 939 2 2.79 2.7690 9.043 546 16 940 2 2.96 1.9358 9.159 546 16 943 2 2.62 2.9680 9.686 546 16 949 2 2.84 2.8451 8.677 ## Starting information for simulation # 17 ## Starting information for simulation # 18 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 546 21 7129 2 2.70 2.1812 9.085 546 21 7131 2 3.00 2.3309 8.442 ## Starting information for simulation # 22 546 22 3971 2 2.52 2.8471 11.849 546 22 3972 2 2.66 2.9176 11.500 546 22 3973 2 2.80 2.8846 11.645 546 22 8120 2 2.74 2.3684 12.309 546 22 9152 2 2.99 2.2925 12.087 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 546 26 9146 2 2.85 1.8794 11.791 ## Starting information for simulation # 27 ## Starting information for simulation # 28 546 28 6574 2 2.90 2.6172 11.362 546 28 6575 2 2.73 3.1137 11.786 546 28 6577 2 2.87 2.5938 10.893 546 28 6580 2 2.85 2.8637 11.239 546 28 6581 2 2.73 2.6013 10.828 546 28 6582 2 2.96 3.0517 10.779 546 28 6583 2 2.76 2.4555 11.024 546 28 6584 2 2.71 2.4284 11.118 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32 546 32 8576 2 2.97 1.8053 13.022 ## Starting information for simulation # 33 ## Starting information for simulation # 34 ## Starting information for simulation # 35 546 35 8417 2 2.94 2.4737 12.880 546 35 10168 2 2.75 2.7137 11.572 546 35 10169 2 2.71 2.9748 11.349 546 35 10170 2 2.96 2.3836 11.776 546 35 10171 2 2.88 2.7269 11.426 546 35 10172 2 2.93 2.7128 11.731 546 35 10174 2 2.84 2.5306 12.282 546 35 10175 2 2.93 2.5058 11.850 ## Starting information for simulation # 36