# Bonding information for index 22 -- 0MA_12@O2 LYS_9@HZ3 LYS_9@NZ # 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 22 5 8981 2 2.91 2.3331 8.884 22 5 8984 2 2.99 2.3287 9.343 22 5 8987 2 2.80 2.3009 9.162 22 5 8988 2 2.96 2.7258 9.406 22 5 9025 2 2.99 3.1058 9.159 22 5 9079 2 2.90 2.1755 9.573 22 5 9080 2 2.96 1.8329 10.076 22 5 9086 2 2.73 1.9282 9.429 22 5 9095 2 2.73 2.4466 9.580 22 5 9115 2 2.78 2.2615 8.678 22 5 9116 2 2.79 2.7411 9.061 22 5 9119 2 2.77 1.7854 9.064 22 5 9120 2 2.88 2.7380 8.995 22 5 9133 2 2.91 2.3242 8.609 22 5 9136 2 2.85 1.7859 9.221 22 5 9140 2 2.81 2.4012 9.105 22 5 9187 2 2.96 2.0116 9.758 22 5 9228 2 2.74 2.6379 9.018 22 5 9232 2 2.86 2.8307 8.923 22 5 9233 2 2.85 2.2503 9.233 22 5 9241 2 2.88 2.6797 9.146 22 5 9244 2 2.82 2.9932 8.837 22 5 9245 2 2.94 2.5090 8.777 22 5 9246 2 2.73 2.3964 9.392 22 5 9249 2 2.88 2.1295 9.047 22 5 9264 2 2.94 2.8557 9.271 22 5 9268 2 2.87 2.4325 9.677 22 5 9270 2 2.84 1.9549 9.137 22 5 9271 2 2.91 3.0154 9.404 22 5 9272 2 2.72 2.2435 9.550 22 5 9273 2 2.84 3.0418 9.402 22 5 9274 2 2.92 2.8681 9.495 22 5 9275 2 2.87 1.8547 9.007 22 5 9276 2 2.74 2.2542 9.222 22 5 9285 2 2.92 2.8335 9.558 22 5 9371 2 2.87 2.8249 9.537 22 5 9422 2 2.74 2.1752 8.625 22 5 9424 2 2.80 1.8616 9.377 22 5 9426 2 2.85 2.3498 8.982 22 5 9434 2 2.94 2.5444 9.417 22 5 9455 2 2.94 2.2636 9.553 22 5 9467 2 2.71 2.2774 8.988 22 5 9468 2 2.95 2.9412 8.967 22 5 9470 2 2.83 2.9932 8.998 22 5 9471 2 2.76 2.5511 9.160 22 5 9474 2 2.90 2.7232 9.055 22 5 9475 2 2.91 2.8312 8.969 22 5 9476 2 2.90 2.7595 8.962 22 5 9477 2 2.86 1.8241 9.097 22 5 9815 2 2.86 2.8186 9.407 22 5 9816 2 2.99 2.7148 8.988 22 5 9821 2 2.94 2.6709 9.601 22 5 9822 2 2.77 1.9647 9.207 22 5 9823 2 2.80 2.8447 8.610 22 5 9825 2 2.89 2.7142 9.469 22 5 9826 2 2.89 2.7849 9.415 22 5 9830 2 2.87 1.9478 9.972 22 5 9834 2 2.91 2.8996 8.963 22 5 9835 2 2.95 2.6416 9.500 22 5 9836 2 2.76 2.9512 8.933 22 5 9837 2 2.80 2.3310 9.119 22 5 9838 2 2.86 2.4415 9.065 22 5 9866 2 2.99 2.8112 8.944 22 5 9868 2 2.93 2.5985 9.216 22 5 9870 2 2.92 2.8948 8.875 22 5 9894 2 2.87 2.9330 9.270 22 5 9895 2 2.86 2.8909 8.717 22 5 9896 2 2.82 3.0225 9.036 22 5 9904 2 2.84 2.5335 9.098 22 5 9905 2 2.85 2.8323 9.131 22 5 9908 2 2.88 2.7674 9.062 22 5 9909 2 2.90 2.6205 9.018 22 5 9911 2 2.86 3.0772 8.996 22 5 9912 2 2.88 2.8848 9.032 22 5 9913 2 2.92 2.7523 9.149 22 5 9915 2 2.77 3.1045 9.154 22 5 9919 2 2.88 2.3468 8.787 22 5 9921 2 2.74 2.9403 9.062 22 5 9922 2 2.74 2.9532 9.235 22 5 9938 2 2.93 2.7381 9.575 ## Starting information for simulation # 6 ## Starting information for simulation # 7 22 7 6356 2 2.97 2.1845 13.014 22 7 6359 2 2.90 2.3495 13.049 22 7 6365 2 2.96 2.7038 12.957 22 7 6367 2 2.89 2.1853 13.284 22 7 6449 2 2.83 2.1875 12.925 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 22 11 2300 2 2.82 3.0997 12.541 22 11 2305 2 2.80 2.6903 12.736 22 11 2306 2 2.76 2.0654 12.289 22 11 2307 2 2.81 2.5015 12.224 22 11 2308 2 2.83 1.9659 12.505 22 11 2320 2 2.97 3.0603 11.894 22 11 2321 2 2.80 2.9436 12.453 22 11 2322 2 2.83 2.6454 12.376 22 11 2328 2 2.97 2.5444 12.271 22 11 2329 2 2.86 2.6916 12.844 22 11 2331 2 2.85 2.5501 11.622 22 11 2332 2 2.97 2.8590 12.413 22 11 2333 2 2.91 2.7943 12.177 22 11 2334 2 2.97 2.6737 12.369 22 11 2347 2 2.69 2.5353 11.861 22 11 8085 2 2.85 2.7460 12.382 22 11 8126 2 2.78 2.5848 12.249 22 11 8962 2 2.93 2.4934 9.123 22 11 8963 2 2.71 2.4421 9.932 22 11 8966 2 2.93 2.9502 9.817 22 11 8968 2 2.85 3.0098 9.671 22 11 8985 2 2.80 2.8512 9.343 22 11 8987 2 2.97 2.8938 8.754 22 11 8989 2 2.69 1.9698 9.524 22 11 8990 2 2.95 2.6590 9.639 22 11 8991 2 2.83 2.9295 9.414 22 11 9001 2 2.74 2.7061 9.544 22 11 9002 2 2.77 2.8934 9.477 22 11 9003 2 2.80 2.8011 9.747 22 11 9004 2 2.85 2.9891 9.949 22 11 9015 2 2.99 2.2095 10.465 22 11 9016 2 2.85 2.6892 9.700 22 11 9018 2 2.90 2.6780 8.966 22 11 9019 2 2.87 1.9938 9.781 22 11 9021 2 2.86 2.7739 9.290 22 11 9022 2 2.95 3.0748 9.446 22 11 9023 2 2.77 3.0304 9.141 22 11 9025 2 2.94 2.7336 9.152 22 11 9030 2 2.84 2.9248 10.169 22 11 9038 2 2.95 2.7326 9.944 22 11 9042 2 2.81 3.0516 9.699 22 11 9043 2 2.95 2.9744 10.045 22 11 9044 2 2.74 2.8069 10.596 22 11 9045 2 2.86 2.6163 10.422 22 11 9047 2 2.95 2.2564 10.263 22 11 9050 2 2.82 2.6526 9.237 22 11 9051 2 2.83 2.7145 9.426 22 11 9052 2 2.84 2.7175 9.189 22 11 9053 2 2.88 2.5077 9.396 22 11 9054 2 2.90 2.9379 9.351 22 11 9055 2 2.98 2.5302 9.455 22 11 9057 2 2.79 2.7602 9.114 22 11 9058 2 2.86 2.6641 8.901 22 11 9059 2 2.66 2.3945 8.765 22 11 9060 2 2.90 2.7322 8.814 22 11 9061 2 2.92 2.7489 8.156 22 11 9063 2 2.97 3.0168 7.140 22 11 9064 2 2.87 3.0295 8.053 22 11 9065 2 2.93 3.0366 7.909 22 11 9066 2 2.99 3.0930 8.109 22 11 9067 2 2.84 2.7569 9.063 22 11 9068 2 2.87 2.7900 8.993 22 11 9069 2 2.79 2.9904 7.601 22 11 9070 2 2.92 2.3071 8.994 22 11 9071 2 2.89 2.8126 8.032 ## Starting information for simulation # 12 22 12 4186 2 2.75 2.4351 6.667 22 12 4187 2 2.88 2.6037 6.960 22 12 4208 2 2.85 2.0285 6.909 22 12 4211 2 2.88 2.9368 6.906 22 12 4980 2 2.80 2.2912 7.481 22 12 4982 2 2.88 2.6931 7.413 22 12 4994 2 2.85 2.7782 6.626 22 12 4997 2 2.77 2.2337 6.386 22 12 4999 2 2.80 2.1872 6.586 22 12 5000 2 2.84 2.1432 6.857 22 12 5002 2 2.89 1.9091 7.203 22 12 5137 2 2.64 2.3097 6.107 22 12 5155 2 2.86 2.9262 7.021 22 12 5157 2 2.69 2.7483 6.802 22 12 5158 2 2.76 2.2125 7.196 22 12 5159 2 2.82 2.1651 6.853 22 12 5160 2 2.82 2.7884 6.798 22 12 5172 2 2.73 1.7852 6.610 22 12 5184 2 2.79 2.2964 6.701 22 12 5185 2 2.85 2.4198 6.435 22 12 5197 2 2.96 2.1557 7.250 22 12 5224 2 2.94 2.5717 6.755 22 12 5225 2 2.94 1.8550 6.588 22 12 5226 2 2.96 2.6817 6.832 22 12 5245 2 2.89 2.2709 6.666 22 12 5448 2 2.76 2.9290 7.859 22 12 5452 2 2.72 2.3426 8.005 22 12 5458 2 2.87 2.4747 7.577 22 12 5459 2 2.68 2.4996 7.579 22 12 5462 2 2.79 2.4724 7.621 22 12 5463 2 2.89 2.5730 7.362 22 12 5464 2 2.68 2.4137 7.866 22 12 5470 2 2.79 2.5490 8.345 22 12 5489 2 2.97 2.1745 7.723 22 12 5493 2 2.87 2.3280 7.512 22 12 5494 2 2.86 2.5257 7.612 22 12 5495 2 2.89 2.5227 7.663 22 12 5509 2 2.96 2.9528 7.818 22 12 5513 2 2.93 2.4197 7.661 22 12 5514 2 2.84 2.3597 7.683 22 12 5515 2 2.93 2.2322 7.769 22 12 5516 2 2.88 2.3030 8.130 22 12 5517 2 2.93 2.7250 8.022 22 12 5524 2 2.80 2.5668 7.203 22 12 5579 2 2.80 2.4026 7.929 22 12 6340 2 2.75 2.9314 7.854 22 12 6342 2 2.71 2.2559 8.015 22 12 6345 2 2.83 2.9776 7.735 22 12 6355 2 2.96 2.7880 7.819 22 12 6395 2 2.78 2.6674 7.916 22 12 7891 2 2.93 2.0935 7.639 22 12 7894 2 2.81 2.1155 7.940 22 12 7900 2 2.97 2.4533 8.015 22 12 7917 2 2.93 2.1827 8.605 22 12 8306 2 2.94 2.3224 8.006 22 12 8308 2 2.72 2.3788 7.744 22 12 8349 2 2.87 2.8784 7.486 22 12 8451 2 2.96 2.7698 7.834 22 12 8453 2 2.96 2.4572 7.755 22 12 8457 2 2.89 2.3570 7.972 22 12 8464 2 2.95 2.2733 7.832 22 12 8469 2 2.90 2.2499 7.730 22 12 8471 2 2.90 2.5120 7.936 22 12 8476 2 2.74 2.9310 7.901 22 12 9490 2 2.95 2.7068 7.917 ## Starting information for simulation # 13 ## Starting information for simulation # 14 22 14 5937 2 3.00 1.7613 9.152 22 14 5963 2 2.95 1.7875 8.826 22 14 5977 2 2.77 2.7406 9.137 22 14 5993 2 2.94 2.0174 10.013 22 14 6027 2 2.98 2.5923 8.902 22 14 6060 2 2.85 2.6602 9.886 22 14 6066 2 2.95 2.5282 9.951 22 14 6067 2 2.88 2.0192 9.346 22 14 6068 2 2.92 2.2163 9.173 22 14 6131 2 2.84 3.0076 8.104 22 14 6178 2 2.87 2.2743 8.852 22 14 6180 2 2.91 2.2435 8.857 22 14 6217 2 2.71 2.9547 8.820 22 14 6218 2 2.79 2.5532 8.644 22 14 6219 2 2.89 2.9605 9.054 22 14 6235 2 2.94 2.8669 8.701 22 14 6237 2 2.91 2.7576 9.575 22 14 6238 2 2.70 2.8813 9.389 22 14 6244 2 2.97 2.8985 9.042 22 14 6258 2 2.81 1.9855 8.978 22 14 6259 2 2.85 2.5329 8.687 22 14 6260 2 2.86 2.3147 9.014 22 14 6283 2 2.76 2.1869 8.842 22 14 6285 2 2.81 2.1017 8.716 22 14 6292 2 2.98 1.9610 9.133 22 14 6346 2 2.77 2.2682 9.565 22 14 6857 2 2.81 2.9635 8.482 22 14 6858 2 2.83 2.5135 8.243 22 14 6864 2 2.78 2.5329 9.162 22 14 6869 2 2.88 2.1470 8.081 22 14 7441 2 2.75 2.1004 6.118 22 14 7660 2 2.84 1.8419 6.232 22 14 7999 2 2.92 2.8169 6.010 22 14 8026 2 2.84 2.5248 6.274 22 14 8043 2 2.87 2.7873 6.363 ## Starting information for simulation # 15 ## Starting information for simulation # 16 22 16 8052 2 2.94 2.5701 6.515 22 16 8075 2 2.87 2.0603 6.614 22 16 8076 2 2.98 2.9436 6.374 22 16 8077 2 2.79 2.7800 6.829 22 16 8080 2 2.76 2.6199 6.209 22 16 8081 2 2.86 2.5983 6.442 22 16 8085 2 2.94 2.7015 6.379 22 16 8089 2 2.88 2.5862 6.507 22 16 8091 2 2.78 2.4741 6.722 22 16 8092 2 2.94 2.4046 6.178 22 16 8099 2 2.87 1.9299 6.372 22 16 8101 2 2.77 2.5731 6.549 22 16 8108 2 2.83 2.6707 6.441 22 16 8128 2 2.97 2.0903 6.338 22 16 8130 2 2.86 2.8220 6.436 22 16 8131 2 2.86 2.6673 6.495 22 16 8132 2 2.87 2.7990 6.731 22 16 8136 2 2.96 2.8421 6.495 22 16 8138 2 2.82 2.5132 6.471 22 16 8139 2 2.83 2.4550 6.430 22 16 8148 2 2.78 2.4649 6.602 22 16 8149 2 2.98 2.7222 6.522 ## Starting information for simulation # 17 22 17 6374 2 2.75 2.1538 9.958 22 17 6430 2 2.89 3.0326 8.750 22 17 6431 2 2.84 2.8036 8.824 22 17 6472 2 2.95 2.3703 9.027 22 17 6474 2 2.83 2.3069 9.507 22 17 6476 2 2.79 2.8019 9.151 22 17 6478 2 2.73 2.1203 9.578 22 17 6595 2 2.99 2.1999 9.692 22 17 6604 2 2.93 2.4586 9.590 22 17 6606 2 2.93 2.7288 9.880 22 17 6610 2 2.70 2.6481 9.349 22 17 6612 2 2.97 2.0721 10.115 22 17 6745 2 2.83 1.9880 8.613 22 17 6746 2 2.86 1.8170 8.387 22 17 6748 2 2.86 2.3051 8.562 ## Starting information for simulation # 18 ## Starting information for simulation # 19 22 19 261 2 2.80 2.8384 12.048 22 19 266 2 2.93 2.4106 12.551 22 19 267 2 2.77 1.9281 12.768 22 19 268 2 2.82 2.5665 12.585 22 19 270 2 2.97 1.7938 12.498 22 19 275 2 2.74 2.2151 12.332 22 19 278 2 2.93 2.3668 12.438 22 19 283 2 2.81 2.7288 12.348 22 19 284 2 2.83 2.8114 12.310 22 19 290 2 2.90 2.1103 12.465 22 19 5066 2 2.81 1.9318 13.445 22 19 5069 2 2.75 1.8489 12.791 ## Starting information for simulation # 20 22 20 8637 2 2.88 2.7013 8.978 22 20 8638 2 2.85 2.7241 8.795 22 20 8639 2 2.81 2.5017 9.302 22 20 8650 2 2.99 2.5908 9.115 22 20 8652 2 2.85 2.7759 8.687 22 20 8661 2 2.80 2.6158 9.078 22 20 8668 2 2.91 2.7805 9.104 22 20 8671 2 2.80 2.1857 9.693 22 20 8673 2 2.63 2.1688 9.682 22 20 9372 2 2.78 2.9277 9.646 22 20 9373 2 2.89 2.2724 9.240 22 20 9376 2 2.94 3.0209 9.183 22 20 9385 2 2.79 2.6412 9.333 22 20 9386 2 2.83 2.5133 9.434 22 20 9388 2 2.89 2.9268 9.641 22 20 9390 2 2.95 2.4857 9.099 22 20 9399 2 2.96 2.1731 9.138 22 20 9416 2 2.94 2.6157 9.560 ## Starting information for simulation # 21 22 21 8 2 2.96 2.0394 7.999 22 21 9 2 2.95 1.8043 8.477 22 21 18 2 2.92 2.7760 8.159 22 21 19 2 2.67 2.5280 7.268 22 21 20 2 2.72 2.5258 7.808 22 21 21 2 2.87 2.7602 7.957 22 21 24 2 2.77 2.3327 8.229 22 21 25 2 2.86 2.9703 7.711 22 21 26 2 2.89 2.8266 6.608 22 21 30 2 2.96 2.7488 7.014 22 21 31 2 2.91 2.9767 6.787 22 21 44 2 2.91 2.3951 8.214 22 21 45 2 2.73 1.7625 8.186 22 21 48 2 2.92 1.7485 8.232 22 21 51 2 2.86 2.7619 8.227 22 21 69 2 2.73 2.7937 8.640 22 21 71 2 2.96 2.0303 8.573 ## 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 ## Starting information for simulation # 30 ## Starting information for simulation # 31 22 31 84 2 2.97 2.5342 10.122 ## 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 22 36 1582 2 2.89 2.7927 9.370 22 36 3220 2 2.78 1.7640 8.041