# NucProt type set of 258 Volumes # # Generated: Mon Sep 27 15:23:05 2004 # Input file ALL-206766-edit.out # Resi file resi-defs.dat # atom Count Mean volume SD SD() Minimum Maximum U N1 1641 8.801 0.461 5.241 7.821 10.113 C2 1649 9.202 0.630 6.845 7.992 11.138 O2 849 16.605 1.944 11.709 12.885 23.166 N3 1519 13.915 1.315 9.449 11.605 18.385 C4 1375 9.538 0.623 6.530 8.354 11.414 O4 439 16.825 2.069 12.297 12.979 23.689 C5 237 19.135 1.535 8.024 15.431 22.862 C6 545 16.983 1.217 7.166 14.238 20.297 C1' 762 13.216 0.860 6.504 11.139 15.514 C2' 1499 12.701 0.841 6.624 10.964 15.379 C3' 1181 12.633 0.611 4.833 11.059 14.596 C4' 460 13.290 1.051 7.911 10.607 15.753 O2' 438 17.297 2.266 13.100 13.025 24.242 O3' 360 14.001 1.326 9.470 11.276 17.686 O4' 817 12.686 1.343 10.585 10.056 16.826 C5' 149 21.398 1.828 8.543 16.982 25.091 O5' 613 13.913 1.121 8.054 11.267 16.864 P 420 11.848 0.227 1.918 11.178 12.322 O1P 141 16.126 2.258 14.003 11.939 23.321 O2P 146 16.140 2.167 13.427 12.225 23.283 Total 15240 286.255 6.379 2.228 A N1 1696 13.944 1.433 10.279 11.504 18.816 C2 920 18.006 1.505 8.359 14.687 21.636 N3 1063 15.211 1.390 9.137 12.334 19.360 C4 2491 9.076 0.634 6.983 7.823 11.193 C5 2510 9.252 0.612 6.611 8.116 11.341 C6 2494 9.166 0.588 6.419 8.083 11.170 N6 726 22.447 1.925 8.577 18.271 27.703 N7 1108 15.632 1.594 10.198 12.547 20.847 C8 1114 17.807 1.409 7.913 14.567 21.548 N9 2454 8.771 0.468 5.337 7.740 10.120 C1' 1119 13.359 0.917 6.865 11.108 15.561 C2' 2118 12.687 0.840 6.617 10.964 15.339 C3' 1795 12.555 0.624 4.969 11.072 14.598 C4' 622 13.316 1.079 8.105 10.537 15.739 O2' 623 17.386 2.394 13.771 12.940 24.500 O3' 488 13.877 1.265 9.117 11.193 17.496 O4' 1227 12.750 1.476 11.574 10.053 17.093 C5' 203 21.885 1.748 7.986 17.484 25.408 O5' 1148 14.010 1.136 8.106 11.282 16.968 P 793 11.853 0.230 1.937 11.178 12.328 O1P 224 16.235 2.368 14.584 11.691 23.085 O2P 287 16.224 2.292 14.127 12.224 23.513 Total 27223 315.449 6.610 2.095 G N1 3292 13.499 1.067 7.904 11.592 17.418 C2 3696 9.033 0.579 6.408 7.982 10.891 N2 1158 21.736 1.913 8.803 17.547 27.339 N3 1490 14.961 1.470 9.825 12.164 19.489 C4 3631 9.030 0.553 6.120 8.008 10.859 C5 3485 9.239 0.551 5.965 8.175 11.040 C6 3538 9.265 0.533 5.751 8.205 10.961 O6 895 16.410 1.880 11.459 12.960 22.975 N7 624 15.888 1.384 8.713 12.672 20.115 C8 732 18.213 1.384 7.601 14.647 22.032 N9 3499 8.765 0.434 4.955 7.857 10.014 C1' 1317 13.477 0.937 6.955 11.130 15.567 C2' 3328 12.684 0.776 6.116 10.965 15.365 C3' 1875 12.704 0.584 4.593 11.069 14.587 C4' 820 13.275 1.065 8.026 10.547 15.751 O2' 784 17.592 2.234 12.696 13.078 24.411 O3' 599 14.087 1.305 9.260 11.190 17.657 O4' 1563 12.786 1.371 10.724 10.078 16.939 C5' 227 21.813 1.705 7.819 17.254 25.628 O5' 1063 14.004 1.120 7.995 11.317 16.899 P 779 11.861 0.234 1.969 11.200 12.334 O1P 223 15.985 2.159 13.508 11.423 22.185 O2P 245 16.720 2.493 14.912 12.289 23.714 Total 38863 323.028 6.509 2.015 C N1 2871 8.811 0.453 5.145 7.831 10.123 C2 2922 9.311 0.638 6.849 8.134 11.264 O2 1174 15.744 1.879 11.936 12.512 21.595 N3 2765 13.082 1.000 7.645 11.056 16.656 C4 2688 9.406 0.549 5.833 8.242 11.144 N4 438 22.475 1.847 8.220 18.316 27.281 C5 349 19.446 1.475 7.587 15.832 22.715 C6 842 16.920 1.180 6.973 14.039 20.203 C1' 1073 13.240 0.873 6.591 11.153 15.543 C2' 2748 12.637 0.772 6.112 10.965 15.378 C3' 2010 12.578 0.550 4.369 11.074 14.580 C4' 622 13.308 1.043 7.835 10.537 15.758 O2' 623 17.218 2.206 12.810 13.155 24.158 O3' 456 14.092 1.299 9.217 11.202 17.647 O4' 1243 12.671 1.390 10.972 10.107 17.008 C5' 211 21.773 1.784 8.194 16.987 25.601 O5' 1026 13.870 1.079 7.777 11.310 16.966 P 653 11.863 0.247 2.084 11.182 12.330 O1P 205 16.051 2.281 14.213 12.112 23.255 O2P 224 16.792 2.417 14.395 12.314 23.641 Total 25143 291.285 6.254 2.147 GLY O 452 16.154 1.313 8.127 13.087 21.208 C 685 9.652 0.715 7.404 7.627 12.060 CA 272 23.470 1.924 8.200 19.386 29.000 N 577 14.480 1.127 7.782 10.917 19.363 Total 1986 63.756 2.685 4.211 ALA O 610 16.026 1.230 7.675 11.753 21.098 C 1070 8.858 0.519 5.857 7.828 11.063 CA 678 13.959 1.120 8.025 11.595 18.123 N 786 13.872 1.038 7.483 11.564 18.014 CB 397 36.551 2.793 7.642 29.350 45.481 Total 3541 89.266 3.452 3.867 VAL O 622 15.998 1.176 7.351 13.257 20.987 C 1027 8.528 0.540 6.327 7.148 10.390 CA 781 13.078 0.934 7.145 10.791 17.340 N 864 13.553 0.809 5.968 11.340 17.500 CB 776 14.514 1.510 10.406 2.247 18.973 CG1 481 36.320 2.937 8.086 16.906 46.985 CG2 512 36.173 2.957 8.175 20.029 45.018 Total 5063 138.164 4.780 3.460 LEU O 715 15.957 1.233 7.728 12.453 19.813 C 1040 8.781 0.568 6.474 7.153 11.923 CA 905 13.055 0.827 6.336 10.522 15.954 N 984 13.517 0.881 6.517 10.692 19.657 CB 698 22.818 2.182 9.565 4.902 28.870 CG 915 14.704 1.267 8.617 4.515 19.817 CD1 566 37.235 3.364 9.035 19.102 47.591 CD2 496 37.020 3.568 9.637 10.739 48.835 Total 6319 163.087 5.807 3.561 ILE O 507 15.930 1.205 7.566 12.369 20.021 C 788 8.445 0.534 6.326 6.985 10.674 CA 623 12.946 0.990 7.646 10.734 16.296 N 684 13.493 0.850 6.297 9.891 17.091 CB 623 14.146 1.145 8.094 3.279 18.783 CG1 511 24.071 1.877 7.797 19.425 30.851 CG2 386 35.763 3.179 8.888 7.616 44.492 CD1 371 38.219 3.054 7.990 30.552 48.568 Total 4493 163.014 5.263 3.229 PRO O 235 15.856 1.312 8.277 12.756 20.177 C 560 8.768 0.436 4.971 7.749 10.487 CA 322 13.828 1.031 7.456 10.897 16.417 N 581 8.650 0.594 6.869 7.135 10.490 CB 127 25.314 2.073 8.189 20.702 31.594 CG 118 25.480 1.791 7.030 21.639 31.080 CD 151 23.390 1.750 7.482 18.654 29.741 Total 2094 121.285 3.728 3.074 MET O 174 16.002 1.382 8.639 12.866 20.826 C 251 8.756 0.583 6.658 7.648 10.773 CA 214 13.194 1.021 7.735 10.697 18.186 N 230 13.405 0.918 6.847 11.150 16.277 CB 171 23.418 1.686 7.201 18.912 27.823 CG 163 23.830 1.802 7.563 19.002 28.746 SD 162 30.207 2.398 7.939 23.949 36.743 CE 108 37.003 3.645 9.849 25.817 50.849 Total 1473 165.815 5.409 3.262 PHE O 408 15.961 1.212 7.594 12.657 21.717 C 583 8.697 0.638 7.335 7.312 10.801 CA 438 13.371 0.960 7.182 11.396 16.507 N 510 13.524 0.918 6.790 11.156 16.689 CB 371 23.623 1.862 7.881 18.782 30.259 CG 614 9.684 0.635 6.558 8.137 12.619 CD1 406 20.325 1.683 8.282 16.120 26.870 CD2 414 20.948 1.674 7.989 17.430 27.179 CE1 366 21.532 1.868 8.674 16.182 28.524 CE2 374 21.625 1.781 8.237 17.212 28.819 CZ 364 21.555 1.864 8.645 16.959 28.882 Total 4848 190.843 4.825 2.528 TYR O 337 15.901 1.159 7.286 12.315 19.028 C 514 8.714 0.630 7.232 7.344 10.902 CA 400 13.249 0.950 7.171 9.530 16.972 N 441 13.473 0.959 7.120 11.203 16.559 CB 317 23.426 2.161 9.226 2.884 29.421 CG 518 9.695 0.628 6.478 8.256 13.946 CD1 325 20.057 1.702 8.484 16.520 25.352 CD2 309 20.578 1.631 7.927 16.348 26.402 CE1 220 20.534 1.708 8.319 16.373 28.543 CE2 210 20.577 1.778 8.640 16.849 26.511 CZ 397 9.888 0.684 6.922 7.999 12.329 OH 111 18.541 1.707 9.204 13.640 24.609 Total 4099 194.633 4.862 2.498 TRP O 159 15.797 1.272 8.053 13.432 19.579 C 223 8.687 0.667 7.674 7.512 10.764 CA 169 13.323 0.890 6.679 11.370 17.390 N 187 13.639 0.935 6.854 11.243 16.415 CB 148 23.826 1.821 7.643 20.301 28.264 CG 224 9.915 0.667 6.725 8.503 12.159 CD1 120 20.597 2.029 9.850 10.214 27.057 NE1 122 16.723 1.448 8.659 13.008 21.982 CD2 208 10.068 0.705 7.006 8.550 12.190 CE2 203 9.848 0.738 7.489 8.033 12.266 CE3 174 20.383 1.977 9.701 11.543 25.618 CZ3 142 21.429 1.749 8.164 17.801 26.278 CZ2 107 20.931 1.755 8.387 17.162 26.251 CH2 122 21.219 1.911 9.005 16.939 26.508 Total 2308 226.384 5.333 2.356 SER O 469 15.860 1.353 8.530 6.680 19.836 C 822 8.858 0.586 6.618 3.793 11.169 CA 485 13.351 1.115 8.350 3.254 16.818 N 570 13.808 1.030 7.462 3.911 17.190 CB 228 23.599 2.870 12.161 4.028 30.962 OG 245 18.021 1.650 9.157 13.980 23.787 Total 2819 93.497 3.929 4.202 THR O 451 15.795 1.260 7.974 12.619 20.144 C 870 8.685 0.570 6.561 6.970 10.543 CA 553 13.025 0.900 6.911 11.218 16.141 N 682 13.544 0.918 6.775 11.081 21.357 CB 328 14.687 1.275 8.682 9.862 20.415 OG1 203 17.610 1.749 9.932 14.499 23.506 CG2 180 36.265 3.098 8.544 24.755 46.100 Total 3267 119.613 4.225 3.532 ASN O 278 15.857 1.273 8.028 12.751 21.292 C 572 8.853 0.611 6.900 7.385 10.823 CA 345 13.052 0.859 6.582 9.973 17.336 N 555 13.525 0.993 7.344 10.868 16.962 CB 162 22.756 2.924 12.850 4.968 31.832 CG 309 9.537 0.765 8.026 4.363 11.974 OD1 151 16.247 1.840 11.328 10.481 22.936 ND2 85 22.525 2.206 9.795 16.703 28.777 Total 2457 122.353 4.595 3.755 GLN O 230 15.767 1.326 8.410 11.827 19.745 C 431 8.744 0.598 6.838 7.473 11.383 CA 278 13.231 0.955 7.217 10.590 16.396 N 399 13.449 0.971 7.218 11.173 16.455 CB 142 23.059 1.846 8.004 19.186 28.112 CG 133 23.218 1.655 7.129 19.335 26.926 CD 187 9.618 0.674 7.006 8.129 12.136 OE1 84 16.571 1.376 8.301 13.524 20.525 NE2 58 23.255 2.442 10.499 16.772 30.231 Total 1942 146.913 4.292 2.922 CYS O 64 16.382 1.355 8.268 13.680 20.134 C 93 8.786 0.513 5.834 7.648 10.374 CA 73 13.583 1.153 8.488 11.901 16.712 N 85 13.865 0.972 7.007 11.957 16.697 CB 52 23.471 2.921 12.447 10.577 27.841 SG 48 36.748 4.156 11.308 22.869 46.139 Total 415 112.836 5.493 4.868 CSS O 82 16.093 1.300 8.076 13.462 19.843 C 145 8.742 0.584 6.677 7.538 10.172 CA 129 13.081 0.894 6.836 9.753 15.470 N 119 13.631 0.808 5.927 12.159 15.563 CB 80 23.447 2.044 8.718 19.593 30.500 SG 101 27.507 2.134 7.758 22.691 34.501 Total 656 102.500 3.495 3.410 HIS O 163 15.855 1.253 7.903 12.442 18.917 C 277 8.760 0.565 6.447 7.122 10.692 CA 166 13.335 1.011 7.583 11.630 16.200 N 235 13.532 1.058 7.821 10.920 18.326 CB 120 23.443 1.819 7.758 19.616 27.632 CG 213 9.870 0.668 6.768 8.599 12.412 ND1 115 15.483 1.576 10.176 10.209 21.377 CD2 101 20.938 1.803 8.610 16.895 25.652 CE1 51 20.491 1.712 8.354 16.288 23.691 NE2 68 15.758 1.261 8.003 13.114 19.888 Total 1509 157.464 4.247 2.697 GLU O 279 15.765 1.240 7.868 12.513 19.422 C 622 8.631 0.529 6.130 7.417 10.656 CA 345 13.284 0.904 6.803 11.144 16.790 N 514 13.461 0.943 7.008 10.838 16.833 CB 157 23.214 1.748 7.529 19.259 28.227 CG 124 23.304 2.691 11.550 3.556 28.818 CD 152 9.437 0.738 7.816 5.524 11.327 OE1 68 15.497 1.312 8.465 9.874 18.286 OE2 50 16.213 1.609 9.921 13.079 22.335 Total 2311 138.805 4.321 3.113 ASP O 368 15.757 1.183 7.505 11.100 20.574 C 736 8.750 0.579 6.613 6.632 11.012 CA 389 13.254 0.978 7.377 10.983 17.720 N 573 13.654 0.949 6.951 11.073 17.257 CB 142 23.022 2.157 9.371 9.509 26.698 CG 264 9.336 0.879 9.419 2.607 11.090 OD1 183 15.078 1.538 10.200 9.252 19.548 OD2 86 15.582 1.890 12.129 9.288 22.577 Total 2741 114.433 3.867 3.379 ARG O 312 15.916 1.139 7.158 12.805 20.881 C 544 8.779 0.625 7.125 3.431 10.771 CA 379 13.310 0.995 7.473 11.125 16.716 N 455 13.486 0.967 7.173 10.623 16.858 CB 200 22.833 1.638 7.174 18.446 27.809 CG 194 23.273 2.139 9.190 7.482 29.048 CD 131 22.849 1.763 7.714 18.509 28.264 NE 141 15.019 1.077 7.168 11.909 20.045 CZ 210 9.678 0.708 7.311 8.335 12.292 NH1 62 22.056 1.485 6.731 18.559 26.141 NH2 45 23.132 2.119 9.161 19.492 28.817 Total 2673 190.331 4.726 2.483 LYS O 335 15.818 1.118 7.068 13.086 19.726 C 708 8.696 0.576 6.619 7.127 10.697 CA 356 13.217 0.898 6.793 10.990 16.590 N 566 13.429 1.030 7.668 10.059 18.470 CB 158 22.578 3.443 15.249 3.876 28.192 CG 140 22.847 3.507 15.350 2.895 28.765 CD 69 23.365 3.880 16.604 2.982 31.253 CE 14 23.720 1.882 7.935 19.103 26.122 NZ 8 21.413 1.153 5.383 19.680 23.588 Total 2354 165.083 6.894 4.176