# atom's volumes :: for residue file TS5H.rd atom Count Mean volume SD SD() Minimum Maximum GLY O 240 16.105 1.233 7.653 13.034 19.881 C 326 9.529 0.623 6.535 7.772 11.279 CA 283 23.032 2.026 8.796 17.837 31.056 N 291 14.443 1.083 7.500 12.020 19.274 Total 1140 63.109 2.680 4.247 ALA O 245 16.217 1.142 7.040 13.469 19.461 C 380 8.856 0.551 6.226 7.739 10.651 CA 404 13.991 1.180 8.435 11.548 17.807 N 350 13.714 1.014 7.393 11.335 17.277 CB 236 36.845 2.870 7.790 31.037 44.972 Total 1615 89.623 3.502 3.908 VAL O 253 16.249 1.100 6.769 12.764 19.948 C 403 8.609 0.549 6.381 7.447 10.353 CA 442 13.030 0.862 6.616 11.305 16.508 N 350 13.535 0.823 6.081 11.866 20.757 CB 463 14.537 1.102 7.581 7.849 18.376 CG1 277 35.906 2.697 7.511 28.937 45.019 CG2 272 36.226 2.750 7.591 23.413 44.050 Total 2460 138.093 4.357 3.155 LEU O 233 16.113 1.282 7.955 11.965 20.420 C 443 8.771 0.590 6.726 7.492 10.834 CA 461 13.074 0.780 5.967 11.092 16.439 N 364 13.661 0.856 6.268 11.544 15.971 CB 327 22.922 1.572 6.859 19.159 27.273 CG 427 14.716 1.259 8.557 9.075 19.835 CD1 263 37.408 2.993 8.000 28.969 47.291 CD2 255 37.031 2.801 7.565 28.699 43.658 Total 2773 163.695 4.919 3.005 ILE O 240 16.096 1.140 7.085 13.254 19.953 C 342 8.552 0.539 6.308 7.509 10.735 CA 373 12.921 0.835 6.463 10.713 15.762 N 298 13.523 0.938 6.938 11.390 20.295 CB 353 14.250 1.046 7.338 11.545 18.783 CG1 247 24.023 1.840 7.660 19.520 30.480 CG2 204 36.215 2.795 7.718 28.784 44.512 CD1 203 38.399 3.191 8.310 26.887 48.448 Total 2260 163.978 5.064 3.088 PRO O 74 16.586 1.592 9.601 12.899 23.788 C 109 8.817 0.492 5.581 7.881 9.989 CA 92 13.747 0.930 6.763 12.022 16.705 N 107 8.482 0.562 6.627 7.287 10.753 CB 58 24.550 2.189 8.915 20.702 30.685 CG 77 25.611 2.407 9.399 21.639 33.000 CD 83 23.445 2.232 9.522 19.176 28.589 Total 600 121.238 4.419 3.645 MET O 82 16.139 1.081 6.697 13.980 20.536 C 119 8.778 0.583 6.638 7.794 10.367 CA 113 13.262 0.908 6.850 11.405 16.388 N 89 13.663 0.898 6.572 11.948 15.598 CB 88 23.345 1.433 6.138 18.912 27.823 CG 80 23.863 1.527 6.400 20.405 26.922 SD 74 28.435 3.567 12.544 18.865 36.544 CE 58 36.686 3.186 8.684 30.373 45.437 Total 703 164.172 5.513 3.358 PHE O 142 16.037 1.220 7.609 12.243 19.386 C 218 8.619 0.658 7.632 7.393 10.805 CA 254 13.370 0.878 6.565 11.411 16.772 N 183 13.643 1.033 7.571 11.735 17.000 CB 197 23.596 1.905 8.075 17.158 29.157 CG 216 9.654 0.520 5.391 8.371 11.096 CD1 174 20.233 1.619 8.000 16.303 24.869 CD2 176 21.059 1.790 8.502 17.760 26.227 CE1 191 21.183 1.714 8.092 18.160 26.740 CE2 172 21.711 1.980 9.120 16.879 28.614 CZ 155 21.606 1.824 8.443 18.135 28.245 Total 2078 190.712 4.866 2.551 TYR O 141 16.084 1.100 6.842 13.710 19.152 C 218 8.798 0.644 7.321 7.351 10.568 CA 231 13.123 0.891 6.788 9.530 16.410 N 203 13.498 0.858 6.360 11.961 16.396 CB 186 23.757 1.843 7.758 19.045 28.955 CG 151 9.615 0.572 5.944 7.875 11.090 CD1 111 20.362 1.558 7.653 17.069 25.103 CD2 109 20.584 1.894 9.203 16.387 25.900 CE1 95 20.592 1.406 6.827 17.078 24.165 CE2 94 20.371 1.681 8.254 17.501 25.085 CZ 110 9.842 0.631 6.408 8.126 11.041 OH 78 18.383 1.578 8.584 15.189 21.333 Total 1727 195.009 4.537 2.327 TRP O 47 15.661 0.962 6.142 13.522 17.741 C 92 8.671 0.578 6.662 7.189 10.101 CA 120 13.341 0.745 5.583 11.524 15.472 N 82 13.638 0.906 6.641 12.056 16.289 CB 73 23.531 1.798 7.640 20.325 27.640 CG 98 9.787 0.471 4.811 8.270 11.174 CD1 73 21.306 1.781 8.360 18.381 28.974 NE1 79 16.040 1.557 9.709 12.473 19.797 CD2 85 9.985 0.627 6.277 8.849 11.725 CE2 84 9.789 0.776 7.924 8.268 11.777 CE3 90 21.062 1.897 9.007 17.217 26.928 CZ3 94 21.656 1.851 8.547 18.225 28.095 CZ2 77 21.140 1.727 8.170 17.236 25.762 CH2 91 21.017 1.750 8.327 17.136 26.591 Total 1185 226.624 5.074 2.239 SER O 126 16.214 1.242 7.659 13.155 20.710 C 185 8.842 0.582 6.582 7.532 10.955 CA 207 13.512 0.928 6.869 11.128 15.948 N 173 14.042 1.045 7.443 12.193 16.488 CB 136 23.652 2.000 8.457 18.744 28.613 OG 141 17.679 1.400 7.918 14.049 21.370 Total 968 93.941 3.130 3.332 THR O 147 15.928 1.377 8.645 12.929 21.973 C 202 8.715 0.472 5.413 7.664 10.108 CA 212 13.240 0.933 7.048 11.235 16.837 N 190 13.650 0.911 6.671 11.621 16.869 CB 208 14.471 1.023 7.072 10.600 17.162 OG1 150 17.657 1.441 8.158 14.028 22.619 CG2 122 35.646 3.078 8.636 25.861 46.924 Total 1231 119.307 4.052 3.396 ASN O 93 16.220 1.437 8.859 13.282 22.728 C 142 8.815 0.521 5.908 7.857 10.133 CA 113 12.997 0.851 6.548 11.369 15.154 N 98 14.070 1.025 7.287 11.758 16.236 CB 67 23.546 1.491 6.332 19.760 27.500 CG 67 9.553 0.709 7.425 8.203 11.282 OD1 42 16.886 2.213 13.103 12.026 25.314 ND2 55 23.067 1.993 8.639 19.304 27.452 Total 677 125.153 3.963 3.166 GLN O 50 15.983 0.891 5.576 13.980 18.073 C 82 8.753 0.566 6.463 7.510 10.030 CA 76 13.321 0.972 7.299 11.534 16.416 N 62 13.564 0.920 6.784 11.580 17.215 CB 52 23.119 1.848 7.993 18.926 28.028 CG 36 23.514 1.417 6.026 20.820 26.342 CD 47 9.690 0.506 5.224 8.523 10.559 OE1 35 16.689 1.969 11.800 13.406 21.237 NE2 27 22.510 2.036 9.044 18.089 26.245 Total 467 147.143 4.075 2.770 CYS O 23 15.946 1.194 7.487 14.377 19.000 C 40 8.614 0.418 4.851 8.046 9.741 CA 42 13.207 0.779 5.896 11.818 15.381 N 38 14.155 1.153 8.144 12.090 16.820 CB 35 23.093 1.311 5.676 21.031 27.026 SG 34 33.917 3.975 11.719 24.403 40.049 Total 212 108.931 4.588 4.212 CSS O 31 16.013 1.402 8.755 14.506 19.548 C 65 8.814 0.567 6.439 7.659 10.887 CA 76 13.128 0.875 6.665 11.599 15.378 N 50 13.980 0.953 6.819 12.325 16.012 CB 56 23.167 2.287 9.870 19.191 30.287 SG 41 27.661 2.617 9.462 23.117 32.571 Total 319 102.764 4.005 3.897 HIS O 63 15.999 1.088 6.799 13.574 19.332 C 107 8.754 0.650 7.420 7.529 10.929 CA 102 13.197 0.792 6.000 11.397 15.100 N 82 13.548 1.072 7.914 10.920 16.985 CB 63 23.620 2.033 8.607 19.458 28.959 CG 76 9.787 0.578 5.907 8.453 11.275 ND1 63 14.910 1.920 12.876 9.726 20.270 CD2 54 20.965 1.984 9.464 16.891 25.512 CE1 57 20.276 1.593 7.857 17.317 24.180 NE2 62 14.999 2.831 18.878 9.559 19.751 Total 729 156.055 5.102 3.269 GLU O 52 15.827 1.181 7.463 13.404 19.496 C 94 8.811 0.552 6.266 7.788 10.552 CA 73 13.333 1.052 7.892 11.384 16.908 N 74 13.641 0.754 5.528 11.954 15.825 CB 46 23.023 1.903 8.266 19.178 27.695 CG 40 23.718 2.084 8.785 19.333 27.415 CD 39 9.191 0.626 6.811 7.774 10.141 OE1 27 15.017 1.347 8.972 12.216 17.701 OE2 26 15.284 1.731 11.322 10.983 18.167 Total 471 137.845 4.067 2.950 ASP O 87 15.808 1.420 8.982 12.139 19.742 C 163 8.743 0.572 6.540 7.371 10.963 CA 142 13.211 1.028 7.779 11.107 16.372 N 121 14.050 1.012 7.203 11.962 16.869 CB 95 23.640 1.964 8.310 19.593 30.538 CG 92 9.479 0.703 7.413 8.222 11.480 OD1 57 15.508 1.502 9.685 11.676 19.695 OD2 61 15.618 1.672 10.706 12.834 20.758 Total 818 116.056 3.719 3.204 ARG O 100 15.849 1.234 7.785 13.585 19.617 C 157 8.719 0.535 6.131 7.616 10.150 CA 152 13.358 1.126 8.430 11.531 16.697 N 109 13.482 0.935 6.935 11.721 17.313 CB 66 23.043 1.376 5.973 19.290 25.996 CG 49 23.044 2.315 10.045 18.673 28.906 CD 39 22.429 1.452 6.473 19.770 25.963 NE 24 14.794 0.684 4.621 13.125 16.096 CZ 43 9.387 0.658 7.010 7.968 10.980 NH1 36 21.989 2.297 10.444 13.924 27.173 NH2 24 22.205 1.763 7.940 19.110 26.411 Total 799 188.299 4.753 2.524 LYS O 42 15.992 1.143 7.148 14.043 19.152 C 86 8.835 0.655 7.413 7.378 11.124 CA 85 13.250 0.863 6.512 11.654 16.287 N 75 13.410 0.954 7.117 11.672 15.890 CB 30 23.936 2.293 9.580 19.919 28.106 CG 17 23.647 2.286 9.668 20.387 28.143 CD 16 23.530 1.686 7.165 21.202 27.908 CE 6 23.562 0.562 2.387 22.849 24.645 NZ 9 21.557 2.612 12.118 15.684 25.568 Total 366 167.718 4.884 2.912