REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ljq_1_C DATA FIRST_RESID 297 DATA SEQUENCE SEPSTTNKPI VLSTWNFGLH ANVEAWKVLS KGGKALDAVE KGVRLVEDDP DATA SEQUENCE TERSVGYGGR PDRDGRVTLD ACIMDENYNI GSVACMEHIK NPISVARAVM DATA SEQUENCE EKTPHVMLVG DGALEFALSQ GFKKENLLTA ESEKEWKEWL KXXXXXXXXX DATA SEQUENCE XXNHDCIGMI ALDAQGNLSG ACTTSGMAYK MHGRVGDSPI IGAGLFVDNE DATA SEQUENCE IGAATATGHG EEVIRTVGTH LVVELMNQGR TPQQACKEAV ERIVKIVNRR DATA SEQUENCE GKNLKDIQVG FIALNKKGEY GAYCIQDGFN FAVHDQKGNR LETPGFALK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 297 S HA 0.000 nan 4.470 nan 0.000 0.327 297 S C 0.000 174.605 174.600 0.008 0.000 1.055 297 S CA 0.000 58.204 58.200 0.007 0.000 1.107 297 S CB 0.000 63.204 63.200 0.006 0.000 0.593 298 E N 1.392 121.597 120.200 0.009 0.000 2.392 298 E HA 0.376 4.727 4.350 0.002 0.000 0.256 298 E C -2.213 174.394 176.600 0.012 0.000 1.145 298 E CA -1.511 54.896 56.400 0.011 0.000 0.929 298 E CB -0.103 29.604 29.700 0.011 0.000 0.998 298 E HN 0.273 8.633 8.360 -0.000 0.000 0.442 299 P HA 0.045 4.465 4.420 -0.000 0.000 0.267 299 P C 0.364 177.673 177.300 0.015 0.000 1.200 299 P CA 0.209 63.318 63.100 0.014 0.000 0.772 299 P CB 0.564 32.275 31.700 0.018 0.000 0.855 300 S N -0.520 115.189 115.700 0.014 0.000 2.423 300 S HA -0.029 4.442 4.470 0.002 0.000 0.231 300 S C 0.622 175.234 174.600 0.020 0.000 1.014 300 S CA 1.205 59.414 58.200 0.015 0.000 0.965 300 S CB -0.196 63.011 63.200 0.013 0.000 0.785 300 S HN 0.576 8.886 8.310 -0.000 0.000 0.495 301 T N 1.961 116.528 114.554 0.022 0.000 2.937 301 T HA 0.468 4.819 4.350 0.002 0.000 0.297 301 T C -0.852 173.869 174.700 0.034 0.000 0.991 301 T CA -0.482 61.636 62.100 0.029 0.000 0.990 301 T CB 1.941 70.826 68.868 0.028 0.000 0.991 301 T HN -0.100 8.140 8.240 -0.000 0.000 0.440 302 T N 3.133 117.713 114.554 0.042 0.000 2.841 302 T HA 0.379 4.730 4.350 0.002 0.000 0.285 302 T C -0.193 174.548 174.700 0.070 0.000 0.991 302 T CA -0.762 61.369 62.100 0.051 0.000 0.966 302 T CB 1.078 69.972 68.868 0.043 0.000 0.962 302 T HN 0.419 8.659 8.240 -0.000 0.000 0.438 303 N N 4.084 122.838 118.700 0.090 0.000 2.555 303 N HA 0.248 4.990 4.740 0.002 0.000 0.244 303 N C -0.655 174.934 175.510 0.131 0.000 1.114 303 N CA -0.449 52.672 53.050 0.119 0.000 0.963 303 N CB -0.138 38.439 38.487 0.150 0.000 1.276 303 N HN 0.705 9.085 8.380 -0.000 0.000 0.510 304 K N 1.842 122.315 120.400 0.122 0.000 2.527 304 K HA 0.628 4.949 4.320 0.002 0.000 0.260 304 K C -3.026 173.646 176.600 0.120 0.000 0.937 304 K CA -1.493 54.865 56.287 0.119 0.000 0.826 304 K CB 1.713 34.255 32.500 0.070 0.000 1.359 304 K HN 0.067 8.317 8.250 -0.000 0.000 0.434 305 P HA 0.324 4.744 4.420 -0.000 0.000 0.274 305 P C -0.846 176.650 177.300 0.326 0.000 1.246 305 P CA -0.474 62.691 63.100 0.108 0.000 0.795 305 P CB 0.946 32.576 31.700 -0.118 0.000 1.006 306 I N -0.033 120.699 120.570 0.271 0.000 2.841 306 I HA 0.468 4.639 4.170 0.002 0.000 0.298 306 I C -1.761 174.477 176.117 0.201 0.000 1.304 306 I CA -1.074 60.392 61.300 0.276 0.000 1.019 306 I CB 2.355 40.458 38.000 0.172 0.000 1.282 306 I HN 0.181 8.391 8.210 -0.000 0.000 0.432 307 V N 7.559 127.580 119.914 0.179 0.000 2.841 307 V HA 0.679 4.800 4.120 0.002 0.000 0.310 307 V C -1.788 174.343 176.094 0.062 0.000 1.090 307 V CA -0.334 62.039 62.300 0.122 0.000 0.930 307 V CB 2.108 34.029 31.823 0.163 0.000 1.014 307 V HN 0.646 8.836 8.190 -0.000 0.000 0.425 308 L N 5.393 126.645 121.223 0.049 0.000 2.362 308 L HA 0.911 5.253 4.340 0.002 0.000 0.271 308 L C -0.135 176.789 176.870 0.090 0.000 1.002 308 L CA 0.212 55.088 54.840 0.060 0.000 0.818 308 L CB 2.409 44.482 42.059 0.023 0.000 1.298 308 L HN 0.952 9.182 8.230 -0.000 0.000 0.420 309 S N -1.229 114.548 115.700 0.128 0.000 2.579 309 S HA 0.753 5.224 4.470 0.002 0.000 0.272 309 S C -0.604 174.107 174.600 0.185 0.000 1.141 309 S CA -0.739 57.545 58.200 0.140 0.000 0.843 309 S CB 1.513 64.777 63.200 0.108 0.000 1.122 309 S HN 0.609 8.919 8.310 -0.000 0.000 0.468 310 T N -0.577 114.118 114.554 0.236 0.000 2.869 310 T HA 0.556 4.907 4.350 0.002 0.000 0.295 310 T C -0.377 174.460 174.700 0.228 0.000 0.987 310 T CA -0.267 61.963 62.100 0.216 0.000 1.109 310 T CB -0.767 68.277 68.868 0.293 0.000 0.932 310 T HN 1.013 9.253 8.240 -0.000 0.000 0.518 311 W N 0.951 122.147 121.300 -0.173 0.000 3.078 311 W HA -0.234 4.427 4.660 0.001 0.000 0.320 311 W C 0.885 177.143 176.519 -0.435 0.000 0.080 311 W CA -0.042 56.984 57.345 -0.532 0.000 0.459 311 W CB -1.098 27.649 29.460 -1.188 0.000 2.858 311 W HN 0.639 8.819 8.180 -0.000 0.000 0.416 312 N N 0.521 119.130 118.700 -0.153 0.000 2.223 312 N HA -0.116 4.626 4.740 0.002 0.000 0.185 312 N C 1.245 176.850 175.510 0.158 0.000 1.016 312 N CA 1.983 55.054 53.050 0.036 0.000 0.863 312 N CB -0.573 38.015 38.487 0.168 0.000 0.983 312 N HN 0.393 8.773 8.380 -0.000 0.000 0.429 313 F N -0.539 119.445 119.950 0.056 0.000 2.641 313 F HA 0.335 4.864 4.527 0.003 0.000 0.298 313 F C 1.883 177.466 175.800 -0.362 0.000 1.146 313 F CA -0.214 57.736 58.000 -0.083 0.000 1.464 313 F CB -1.540 37.497 39.000 0.062 0.000 1.101 313 F HN -0.121 8.179 8.300 -0.000 0.000 0.585 314 G N 1.030 110.019 108.800 0.316 0.000 2.471 314 G HA2 -0.192 3.769 3.960 0.002 0.000 0.219 314 G HA3 -0.192 3.769 3.960 0.002 0.000 0.219 314 G C 1.574 176.469 174.900 -0.008 0.000 1.125 314 G CA 0.792 45.959 45.100 0.111 0.000 0.775 314 G HN 0.434 8.724 8.290 -0.000 0.000 0.548 315 L N 1.066 122.291 121.223 0.004 0.000 2.027 315 L HA -0.045 4.296 4.340 0.002 0.000 0.206 315 L C 2.845 179.752 176.870 0.062 0.000 1.074 315 L CA 2.219 57.069 54.840 0.017 0.000 0.745 315 L CB -0.547 41.534 42.059 0.037 0.000 0.898 315 L HN 0.580 8.810 8.230 -0.000 0.000 0.433 316 H N -2.024 117.096 119.070 0.083 0.000 2.470 316 H HA 0.160 4.717 4.556 0.002 0.000 0.289 316 H C 1.881 177.252 175.328 0.073 0.000 1.033 316 H CA 0.897 56.989 56.048 0.074 0.000 1.331 316 H CB -0.550 29.254 29.762 0.070 0.000 1.414 316 H HN 0.357 8.637 8.280 -0.000 0.000 0.545 317 A N 2.093 124.774 122.820 -0.232 0.000 1.940 317 A HA -0.238 4.083 4.320 0.002 0.000 0.219 317 A C 2.156 179.754 177.584 0.023 0.000 1.176 317 A CA 1.601 53.578 52.037 -0.100 0.000 0.631 317 A CB -0.503 18.381 19.000 -0.194 0.000 0.814 317 A HN 0.378 8.528 8.150 -0.000 0.000 0.446 318 N N 0.219 118.950 118.700 0.051 0.000 2.104 318 N HA -0.138 4.604 4.740 0.002 0.000 0.190 318 N C 1.617 177.258 175.510 0.219 0.000 1.024 318 N CA 1.566 54.697 53.050 0.136 0.000 0.853 318 N CB -0.676 37.898 38.487 0.146 0.000 1.008 318 N HN 0.265 8.645 8.380 -0.000 0.000 0.424 319 V N 0.997 121.043 119.914 0.219 0.000 2.332 319 V HA -0.232 3.890 4.120 0.002 0.000 0.248 319 V C 2.342 178.559 176.094 0.204 0.000 1.055 319 V CA 1.836 64.285 62.300 0.249 0.000 1.038 319 V CB -0.523 31.416 31.823 0.194 0.000 0.651 319 V HN 0.309 8.499 8.190 -0.000 0.000 0.450 320 E N 0.706 120.993 120.200 0.146 0.000 2.047 320 E HA -0.153 4.198 4.350 0.002 0.000 0.191 320 E C 2.173 178.825 176.600 0.086 0.000 0.987 320 E CA 1.561 58.022 56.400 0.103 0.000 0.799 320 E CB -0.540 29.207 29.700 0.077 0.000 0.752 320 E HN 0.485 8.845 8.360 -0.000 0.000 0.449 321 A N 0.889 123.763 122.820 0.091 0.000 1.940 321 A HA -0.207 4.115 4.320 0.002 0.000 0.219 321 A C 2.203 179.832 177.584 0.075 0.000 1.176 321 A CA 1.469 53.550 52.037 0.073 0.000 0.631 321 A CB -1.350 17.702 19.000 0.087 0.000 0.814 321 A HN 0.708 8.858 8.150 -0.000 0.000 0.446 322 W N 0.803 122.032 121.300 -0.118 0.000 2.465 322 W HA -0.101 4.562 4.660 0.004 0.000 0.268 322 W C 1.628 178.071 176.519 -0.127 0.000 1.242 322 W CA 1.479 58.691 57.345 -0.223 0.000 1.248 322 W CB -0.057 29.107 29.460 -0.493 0.000 1.118 322 W HN 0.377 8.557 8.180 -0.000 0.000 0.587 323 K N -0.160 120.246 120.400 0.009 0.000 2.103 323 K HA -0.186 4.135 4.320 0.002 0.000 0.207 323 K C 1.737 178.257 176.600 -0.134 0.000 1.048 323 K CA 1.651 57.909 56.287 -0.049 0.000 0.930 323 K CB -0.393 32.114 32.500 0.012 0.000 0.716 323 K HN 0.033 8.283 8.250 -0.000 0.000 0.444 324 V N 1.407 121.243 119.914 -0.130 0.000 2.302 324 V HA -0.174 3.947 4.120 0.002 0.000 0.243 324 V C 2.149 178.089 176.094 -0.257 0.000 1.036 324 V CA 1.386 63.597 62.300 -0.148 0.000 1.020 324 V CB -0.335 31.433 31.823 -0.092 0.000 0.657 324 V HN 0.236 8.426 8.190 -0.000 0.000 0.453 325 L N 1.000 122.003 121.223 -0.366 0.000 2.093 325 L HA -0.120 4.222 4.340 0.002 0.000 0.208 325 L C 2.603 179.042 176.870 -0.719 0.000 1.085 325 L CA 1.742 56.284 54.840 -0.497 0.000 0.755 325 L CB -0.655 41.076 42.059 -0.547 0.000 0.904 325 L HN 0.539 8.769 8.230 -0.000 0.000 0.435 326 S N -0.776 114.325 115.700 -0.998 0.000 2.515 326 S HA -0.098 4.374 4.470 0.002 0.000 0.231 326 S C 1.530 175.883 174.600 -0.410 0.000 0.987 326 S CA 0.506 58.160 58.200 -0.909 0.000 0.936 326 S CB -0.194 62.438 63.200 -0.947 0.000 0.766 326 S HN 0.412 8.722 8.310 -0.000 0.000 0.528 327 K N 0.652 120.862 120.400 -0.316 0.000 2.397 327 K HA 0.349 4.671 4.320 0.002 0.000 0.202 327 K C 0.968 177.475 176.600 -0.155 0.000 1.022 327 K CA 0.265 56.442 56.287 -0.183 0.000 1.141 327 K CB 0.287 32.705 32.500 -0.137 0.000 0.857 327 K HN 0.452 8.702 8.250 -0.000 0.000 0.514 328 G N 1.339 110.023 108.800 -0.192 0.000 2.136 328 G HA2 -0.248 3.714 3.960 0.002 0.000 0.242 328 G HA3 -0.248 3.714 3.960 0.002 0.000 0.242 328 G C 0.423 175.251 174.900 -0.120 0.000 0.989 328 G CA -0.138 44.877 45.100 -0.141 0.000 0.682 328 G HN 0.489 8.779 8.290 -0.000 0.000 0.522 329 G N -0.560 108.157 108.800 -0.139 0.000 2.616 329 G HA2 0.519 4.480 3.960 0.002 0.000 0.268 329 G HA3 0.519 4.480 3.960 0.002 0.000 0.268 329 G C 0.213 175.059 174.900 -0.090 0.000 1.213 329 G CA -0.375 44.663 45.100 -0.103 0.000 0.926 329 G HN 0.466 8.756 8.290 -0.000 0.000 0.523 330 K N 0.024 120.385 120.400 -0.064 0.000 2.270 330 K HA 0.369 4.690 4.320 0.002 0.000 0.276 330 K C 1.392 177.963 176.600 -0.049 0.000 1.023 330 K CA 0.171 56.428 56.287 -0.050 0.000 0.955 330 K CB 1.452 33.931 32.500 -0.035 0.000 0.975 330 K HN 0.419 8.669 8.250 -0.000 0.000 0.471 331 A N 3.238 126.032 122.820 -0.043 0.000 1.917 331 A HA -0.210 4.111 4.320 0.002 0.000 0.219 331 A C 1.930 179.499 177.584 -0.025 0.000 1.182 331 A CA 1.627 53.645 52.037 -0.033 0.000 0.633 331 A CB -0.497 18.486 19.000 -0.027 0.000 0.819 331 A HN 0.736 8.886 8.150 -0.000 0.000 0.448 332 L N 0.069 121.277 121.223 -0.025 0.000 2.042 332 L HA -0.189 4.152 4.340 0.002 0.000 0.210 332 L C 1.703 178.567 176.870 -0.010 0.000 1.076 332 L CA 2.566 57.396 54.840 -0.017 0.000 0.749 332 L CB -0.598 41.452 42.059 -0.015 0.000 0.893 332 L HN 0.376 8.606 8.230 -0.000 0.000 0.432 333 D N -0.331 120.060 120.400 -0.015 0.000 2.144 333 D HA -0.129 4.512 4.640 0.002 0.000 0.200 333 D C 2.156 178.449 176.300 -0.013 0.000 0.978 333 D CA 1.385 55.377 54.000 -0.012 0.000 0.833 333 D CB -0.073 40.715 40.800 -0.021 0.000 0.961 333 D HN 0.515 8.885 8.370 -0.000 0.000 0.470 334 A N 1.071 123.878 122.820 -0.021 0.000 1.877 334 A HA -0.145 4.177 4.320 0.002 0.000 0.216 334 A C 2.511 180.097 177.584 0.004 0.000 1.186 334 A CA 2.114 54.141 52.037 -0.016 0.000 0.620 334 A CB -0.841 18.142 19.000 -0.028 0.000 0.822 334 A HN 0.231 8.381 8.150 -0.000 0.000 0.443 335 V N -1.899 118.018 119.914 0.004 0.000 2.548 335 V HA -0.160 3.961 4.120 0.002 0.000 0.249 335 V C 2.103 178.202 176.094 0.008 0.000 1.055 335 V CA 2.258 64.564 62.300 0.010 0.000 1.065 335 V CB -0.848 30.980 31.823 0.008 0.000 0.681 335 V HN 0.667 8.857 8.190 -0.000 0.000 0.462 336 E N 1.199 121.404 120.200 0.009 0.000 2.051 336 E HA -0.298 4.054 4.350 0.002 0.000 0.192 336 E C 2.310 178.919 176.600 0.015 0.000 0.991 336 E CA 1.746 58.155 56.400 0.015 0.000 0.799 336 E CB -0.155 29.559 29.700 0.024 0.000 0.748 336 E HN 0.716 9.076 8.360 -0.000 0.000 0.449 337 K N -0.258 120.150 120.400 0.013 0.000 2.057 337 K HA -0.097 4.224 4.320 0.002 0.000 0.206 337 K C 2.098 178.706 176.600 0.014 0.000 1.050 337 K CA 1.425 57.721 56.287 0.015 0.000 0.935 337 K CB -0.388 32.119 32.500 0.012 0.000 0.715 337 K HN 0.209 8.459 8.250 -0.000 0.000 0.439 338 G N 0.604 109.411 108.800 0.012 0.000 2.446 338 G HA2 -0.243 3.719 3.960 0.002 0.000 0.217 338 G HA3 -0.243 3.719 3.960 0.002 0.000 0.217 338 G C 1.460 176.342 174.900 -0.031 0.000 1.168 338 G CA 1.286 46.389 45.100 0.004 0.000 0.771 338 G HN 0.330 8.620 8.290 -0.000 0.000 0.551 339 V N -1.567 118.328 119.914 -0.031 0.000 2.719 339 V HA 0.149 4.270 4.120 0.002 0.000 0.252 339 V C 2.479 178.541 176.094 -0.054 0.000 1.065 339 V CA 1.407 63.667 62.300 -0.065 0.000 1.086 339 V CB -0.496 31.301 31.823 -0.043 0.000 0.700 339 V HN 0.274 8.464 8.190 -0.000 0.000 0.467 340 R N -0.076 120.415 120.500 -0.015 0.000 2.127 340 R HA -0.071 4.271 4.340 0.002 0.000 0.238 340 R C 2.244 178.548 176.300 0.007 0.000 1.134 340 R CA 1.760 57.863 56.100 0.005 0.000 0.975 340 R CB -0.613 29.703 30.300 0.026 0.000 0.865 340 R HN 0.539 8.809 8.270 -0.000 0.000 0.447 341 L N 0.580 121.804 121.223 0.001 0.000 2.042 341 L HA -0.175 4.166 4.340 0.002 0.000 0.210 341 L C 1.956 178.832 176.870 0.009 0.000 1.076 341 L CA 1.668 56.522 54.840 0.024 0.000 0.749 341 L CB -0.158 41.927 42.059 0.042 0.000 0.893 341 L HN -0.088 8.142 8.230 -0.000 0.000 0.432 342 V N -0.704 119.164 119.914 -0.078 0.000 2.488 342 V HA -0.170 3.952 4.120 0.002 0.000 0.246 342 V C 2.400 178.458 176.094 -0.059 0.000 1.046 342 V CA 1.558 63.773 62.300 -0.141 0.000 1.053 342 V CB -0.601 30.955 31.823 -0.444 0.000 0.679 342 V HN 0.459 8.649 8.190 -0.000 0.000 0.458 343 E N 0.281 120.459 120.200 -0.036 0.000 2.118 343 E HA -0.260 4.091 4.350 0.002 0.000 0.195 343 E C 1.748 178.402 176.600 0.089 0.000 0.992 343 E CA 1.546 57.959 56.400 0.020 0.000 0.804 343 E CB -0.181 29.529 29.700 0.017 0.000 0.741 343 E HN 0.558 8.918 8.360 -0.000 0.000 0.458 344 D N 0.677 121.128 120.400 0.085 0.000 2.348 344 D HA -0.075 4.566 4.640 0.002 0.000 0.216 344 D C 0.178 176.598 176.300 0.200 0.000 0.970 344 D CA 0.705 54.788 54.000 0.137 0.000 0.889 344 D CB -0.105 40.750 40.800 0.090 0.000 0.912 344 D HN 0.013 8.383 8.370 -0.000 0.000 0.524 345 D N 0.331 120.805 120.400 0.124 0.000 2.396 345 D HA 0.064 4.705 4.640 0.002 0.000 0.225 345 D C -1.593 174.705 176.300 -0.004 0.000 1.121 345 D CA -2.154 51.893 54.000 0.078 0.000 0.853 345 D CB 1.764 42.607 40.800 0.073 0.000 1.043 345 D HN -0.022 8.348 8.370 -0.000 0.000 0.500 346 P HA -0.125 4.295 4.420 -0.000 0.000 0.225 346 P C 0.996 178.163 177.300 -0.222 0.000 1.148 346 P CA 0.973 63.815 63.100 -0.429 0.000 0.779 346 P CB 0.041 31.303 31.700 -0.730 0.000 0.780 347 T N -4.483 110.010 114.554 -0.101 0.000 3.100 347 T HA 0.067 4.418 4.350 0.002 0.000 0.253 347 T C 0.765 175.459 174.700 -0.009 0.000 1.118 347 T CA 0.153 62.220 62.100 -0.055 0.000 1.058 347 T CB -0.336 68.516 68.868 -0.026 0.000 0.953 347 T HN -0.087 8.153 8.240 -0.000 0.000 0.515 348 E N 2.016 122.230 120.200 0.024 0.000 2.044 348 E HA 0.290 4.641 4.350 0.002 0.000 0.282 348 E C 0.483 177.101 176.600 0.031 0.000 1.031 348 E CA -0.337 56.117 56.400 0.090 0.000 0.824 348 E CB 0.923 30.728 29.700 0.174 0.000 1.076 348 E HN 0.271 8.631 8.360 -0.000 0.000 0.395 349 R N 0.882 121.381 120.500 -0.002 0.000 2.317 349 R HA 0.141 4.483 4.340 0.002 0.000 0.208 349 R C 0.544 176.806 176.300 -0.063 0.000 0.914 349 R CA 0.053 56.121 56.100 -0.054 0.000 1.060 349 R CB 0.364 30.617 30.300 -0.078 0.000 1.015 349 R HN 0.107 8.377 8.270 -0.000 0.000 0.498 350 S N 0.116 115.806 115.700 -0.016 0.000 2.650 350 S HA 0.239 4.711 4.470 0.002 0.000 0.240 350 S C -0.149 174.460 174.600 0.016 0.000 1.007 350 S CA -0.274 57.909 58.200 -0.030 0.000 0.984 350 S CB 1.011 64.180 63.200 -0.052 0.000 0.910 350 S HN -0.133 8.177 8.310 -0.000 0.000 0.509 351 V N 0.933 120.863 119.914 0.027 0.000 2.668 351 V HA 0.727 4.849 4.120 0.002 0.000 0.304 351 V C 0.718 176.821 176.094 0.015 0.000 1.071 351 V CA -0.261 62.049 62.300 0.016 0.000 0.894 351 V CB 0.922 32.743 31.823 -0.004 0.000 1.008 351 V HN 0.482 8.672 8.190 -0.000 0.000 0.425 352 G N 3.446 112.256 108.800 0.016 0.000 2.582 352 G HA2 -0.313 3.649 3.960 0.002 0.000 0.288 352 G HA3 -0.313 3.649 3.960 0.002 0.000 0.288 352 G C -0.235 174.731 174.900 0.111 0.000 1.247 352 G CA 0.627 45.758 45.100 0.052 0.000 0.972 352 G HN 1.462 9.752 8.290 -0.000 0.000 0.557 353 Y N 2.659 122.952 120.300 -0.011 0.000 2.810 353 Y HA 0.324 4.875 4.550 0.003 0.000 0.332 353 Y C 1.717 177.616 175.900 -0.003 0.000 1.243 353 Y CA 1.247 59.345 58.100 -0.003 0.000 1.537 353 Y CB 0.221 38.686 38.460 0.008 0.000 1.265 353 Y HN 2.344 10.624 8.280 -0.000 0.000 0.572 354 G N 3.218 111.947 108.800 -0.118 0.000 2.179 354 G HA2 -0.234 3.728 3.960 0.002 0.000 0.260 354 G HA3 -0.234 3.728 3.960 0.002 0.000 0.260 354 G C 0.591 175.435 174.900 -0.093 0.000 0.977 354 G CA 0.114 45.085 45.100 -0.215 0.000 0.641 354 G HN 1.312 9.602 8.290 -0.000 0.000 0.533 355 G N 0.051 108.824 108.800 -0.044 0.000 2.441 355 G HA2 0.459 4.420 3.960 0.002 0.000 0.243 355 G HA3 0.459 4.420 3.960 0.002 0.000 0.243 355 G C 0.418 175.256 174.900 -0.104 0.000 1.281 355 G CA -0.320 44.740 45.100 -0.067 0.000 0.854 355 G HN 0.578 8.868 8.290 -0.000 0.000 0.560 356 R N 3.086 123.490 120.500 -0.160 0.000 2.522 356 R HA 0.103 4.445 4.340 0.002 0.000 0.284 356 R C -1.886 174.245 176.300 -0.281 0.000 1.032 356 R CA -0.889 55.067 56.100 -0.239 0.000 1.049 356 R CB 0.546 30.599 30.300 -0.412 0.000 0.956 356 R HN 0.448 8.718 8.270 -0.000 0.000 0.422 357 P HA -0.044 4.376 4.420 -0.000 0.000 0.273 357 P C -0.766 176.375 177.300 -0.265 0.000 1.250 357 P CA -0.369 62.571 63.100 -0.268 0.000 0.793 357 P CB 0.480 31.948 31.700 -0.386 0.000 1.011 358 D N 0.289 120.570 120.400 -0.198 0.000 2.346 358 D HA -0.054 4.588 4.640 0.002 0.000 0.249 358 D C 1.337 177.627 176.300 -0.017 0.000 1.308 358 D CA -0.256 53.685 54.000 -0.099 0.000 0.987 358 D CB 0.142 40.931 40.800 -0.019 0.000 1.114 358 D HN 0.444 8.814 8.370 -0.000 0.000 0.529 359 R N -1.063 119.511 120.500 0.124 0.000 2.280 359 R HA -0.026 4.315 4.340 0.002 0.000 0.207 359 R C -0.099 176.529 176.300 0.547 0.000 1.043 359 R CA 0.827 57.147 56.100 0.367 0.000 1.006 359 R CB -0.303 30.269 30.300 0.453 0.000 0.885 359 R HN 0.289 8.559 8.270 -0.000 0.000 0.467 360 D N 0.439 120.959 120.400 0.201 0.000 2.340 360 D HA 0.114 4.755 4.640 0.002 0.000 0.217 360 D C 0.814 176.920 176.300 -0.324 0.000 1.081 360 D CA 0.785 54.876 54.000 0.152 0.000 0.842 360 D CB 0.902 41.700 40.800 -0.004 0.000 0.934 360 D HN 0.509 8.879 8.370 -0.000 0.000 0.511 361 G N 1.852 110.066 108.800 -0.977 0.000 2.136 361 G HA2 -0.322 3.640 3.960 0.002 0.000 0.242 361 G HA3 -0.322 3.640 3.960 0.002 0.000 0.242 361 G C 0.198 174.672 174.900 -0.711 0.000 0.989 361 G CA -0.353 43.753 45.100 -1.658 0.000 0.682 361 G HN 0.297 8.587 8.290 -0.000 0.000 0.522 362 R N -0.115 120.134 120.500 -0.419 0.000 2.254 362 R HA 0.477 4.819 4.340 0.002 0.000 0.318 362 R C 0.087 176.260 176.300 -0.212 0.000 1.031 362 R CA -0.662 55.286 56.100 -0.254 0.000 0.905 362 R CB 1.862 32.054 30.300 -0.181 0.000 1.050 362 R HN 0.073 8.343 8.270 -0.000 0.000 0.456 363 V N 3.530 123.341 119.914 -0.173 0.000 2.387 363 V HA 0.113 4.234 4.120 0.002 0.000 0.260 363 V C 0.533 176.551 176.094 -0.126 0.000 1.054 363 V CA -0.206 62.014 62.300 -0.133 0.000 0.967 363 V CB 0.597 32.373 31.823 -0.079 0.000 1.036 363 V HN 0.884 9.074 8.190 -0.000 0.000 0.481 364 T N 4.433 118.924 114.554 -0.106 0.000 2.807 364 T HA 0.770 5.122 4.350 0.002 0.000 0.279 364 T C -0.790 173.867 174.700 -0.073 0.000 0.993 364 T CA -0.695 61.352 62.100 -0.090 0.000 0.970 364 T CB 1.293 70.127 68.868 -0.058 0.000 0.950 364 T HN 0.293 8.533 8.240 -0.000 0.000 0.441 365 L N 2.574 123.756 121.223 -0.068 0.000 2.334 365 L HA 0.673 5.015 4.340 0.002 0.000 0.273 365 L C -0.668 176.175 176.870 -0.045 0.000 1.013 365 L CA -1.109 53.700 54.840 -0.052 0.000 0.816 365 L CB 1.759 43.789 42.059 -0.048 0.000 1.278 365 L HN 0.687 8.917 8.230 -0.000 0.000 0.431 366 D N 1.754 122.134 120.400 -0.032 0.000 2.646 366 D HA 0.754 5.396 4.640 0.002 0.000 0.245 366 D C -0.896 175.396 176.300 -0.013 0.000 1.099 366 D CA -0.210 53.777 54.000 -0.023 0.000 0.849 366 D CB 2.584 43.375 40.800 -0.015 0.000 1.448 366 D HN 0.636 9.006 8.370 -0.000 0.000 0.489 367 A N 0.494 123.307 122.820 -0.011 0.000 2.604 367 A HA 0.741 5.062 4.320 0.002 0.000 0.295 367 A C -0.682 176.904 177.584 0.004 0.000 1.067 367 A CA -0.731 51.305 52.037 -0.002 0.000 0.683 367 A CB 1.121 20.113 19.000 -0.013 0.000 1.281 367 A HN 0.850 9.000 8.150 -0.000 0.000 0.407 368 C N 0.356 119.665 119.300 0.014 0.000 3.236 368 C HA 0.951 5.413 4.460 0.002 0.000 0.312 368 C C -0.794 174.205 174.990 0.015 0.000 1.374 368 C CA -0.775 58.252 59.018 0.016 0.000 1.455 368 C CB 0.752 28.507 27.740 0.026 0.000 1.834 368 C HN 1.299 9.529 8.230 -0.000 0.000 0.460 369 I N 1.146 121.722 120.570 0.009 0.000 2.827 369 I HA 0.725 4.896 4.170 0.002 0.000 0.298 369 I C -1.427 174.678 176.117 -0.019 0.000 1.235 369 I CA -0.923 60.376 61.300 -0.001 0.000 1.021 369 I CB 2.048 40.052 38.000 0.007 0.000 1.259 369 I HN 1.039 9.249 8.210 -0.000 0.000 0.427 370 M N 6.344 125.915 119.600 -0.048 0.000 2.322 370 M HA 0.328 4.810 4.480 0.002 0.000 0.286 370 M C -1.776 174.457 176.300 -0.110 0.000 1.111 370 M CA -0.458 54.783 55.300 -0.098 0.000 0.941 370 M CB 1.578 34.074 32.600 -0.173 0.000 1.671 370 M HN 0.686 8.976 8.290 -0.000 0.000 0.470 371 D N 2.999 123.338 120.400 -0.102 0.000 2.541 371 D HA 0.175 4.817 4.640 0.002 0.000 0.276 371 D C 0.415 176.643 176.300 -0.118 0.000 1.190 371 D CA -0.029 53.921 54.000 -0.083 0.000 1.095 371 D CB 0.165 40.940 40.800 -0.041 0.000 1.173 371 D HN 0.646 9.016 8.370 -0.000 0.000 0.604 372 E N -0.857 119.297 120.200 -0.077 0.000 2.489 372 E HA -0.057 4.294 4.350 0.002 0.000 0.193 372 E C -0.123 176.451 176.600 -0.042 0.000 1.057 372 E CA 0.174 56.529 56.400 -0.075 0.000 0.866 372 E CB -0.511 29.164 29.700 -0.041 0.000 0.916 372 E HN 0.346 8.706 8.360 -0.000 0.000 0.500 373 N N -0.420 118.271 118.700 -0.016 0.000 2.588 373 N HA 0.091 4.833 4.740 0.002 0.000 0.298 373 N C -1.239 174.377 175.510 0.176 0.000 1.718 373 N CA -0.471 52.630 53.050 0.086 0.000 0.888 373 N CB -0.384 38.140 38.487 0.063 0.000 1.389 373 N HN 0.062 8.442 8.380 -0.000 0.000 0.491 374 Y N -1.749 118.515 120.300 -0.060 0.000 4.668 374 Y HA -0.347 4.204 4.550 0.003 0.000 0.234 374 Y C -0.358 175.526 175.900 -0.027 0.000 1.056 374 Y CA 0.528 58.597 58.100 -0.052 0.000 2.025 374 Y CB -2.212 36.239 38.460 -0.015 0.000 1.613 374 Y HN 0.310 8.590 8.280 -0.000 0.000 0.653 375 N N 1.324 120.059 118.700 0.058 0.000 2.520 375 N HA 0.615 5.356 4.740 0.002 0.000 0.273 375 N C -0.234 175.279 175.510 0.006 0.000 1.155 375 N CA 0.229 53.303 53.050 0.039 0.000 0.967 375 N CB 0.862 39.364 38.487 0.025 0.000 1.092 375 N HN 0.374 8.754 8.380 -0.000 0.000 0.457 376 I N -2.404 118.179 120.570 0.023 0.000 2.802 376 I HA 0.872 5.043 4.170 0.002 0.000 0.298 376 I C -0.309 175.820 176.117 0.020 0.000 1.176 376 I CA -1.130 60.178 61.300 0.014 0.000 1.025 376 I CB 2.401 40.420 38.000 0.033 0.000 1.243 376 I HN 0.480 8.690 8.210 -0.000 0.000 0.424 377 G N 1.462 110.272 108.800 0.017 0.000 2.696 377 G HA2 0.635 4.597 3.960 0.002 0.000 0.295 377 G HA3 0.635 4.597 3.960 0.002 0.000 0.295 377 G C -1.882 173.027 174.900 0.015 0.000 1.398 377 G CA -0.668 44.443 45.100 0.018 0.000 0.920 377 G HN 0.778 9.068 8.290 -0.000 0.000 0.492 378 S N -0.626 115.079 115.700 0.007 0.000 2.543 378 S HA 0.705 5.177 4.470 0.002 0.000 0.271 378 S C -0.661 173.935 174.600 -0.006 0.000 1.148 378 S CA -0.241 57.961 58.200 0.003 0.000 0.914 378 S CB 1.400 64.604 63.200 0.006 0.000 1.096 378 S HN 1.809 10.119 8.310 -0.000 0.000 0.471 379 V N 1.480 121.388 119.914 -0.010 0.000 2.914 379 V HA 1.088 5.210 4.120 0.002 0.000 0.314 379 V C -0.194 175.886 176.094 -0.023 0.000 1.084 379 V CA -0.566 61.724 62.300 -0.017 0.000 0.963 379 V CB 1.077 32.886 31.823 -0.022 0.000 1.025 379 V HN 1.388 9.578 8.190 -0.000 0.000 0.432 380 A N 1.680 124.484 122.820 -0.028 0.000 2.549 380 A HA 0.694 5.015 4.320 0.002 0.000 0.297 380 A C 0.134 177.694 177.584 -0.040 0.000 1.061 380 A CA 0.028 52.046 52.037 -0.032 0.000 0.690 380 A CB 1.253 20.237 19.000 -0.028 0.000 1.287 380 A HN 2.502 10.652 8.150 -0.000 0.000 0.402 381 C N 1.084 120.357 119.300 -0.045 0.000 4.167 381 C HA -0.124 4.337 4.460 0.002 0.000 0.302 381 C C 0.367 175.325 174.990 -0.054 0.000 1.384 381 C CA 1.300 60.288 59.018 -0.051 0.000 2.041 381 C CB -2.581 25.123 27.740 -0.060 0.000 1.303 381 C HN 0.933 9.163 8.230 -0.000 0.000 0.718 382 M N 1.368 120.931 119.600 -0.062 0.000 2.336 382 M HA 0.534 5.015 4.480 0.002 0.000 0.342 382 M C 0.054 176.284 176.300 -0.117 0.000 1.128 382 M CA -0.062 55.194 55.300 -0.073 0.000 1.016 382 M CB 0.980 33.543 32.600 -0.060 0.000 1.665 382 M HN 0.492 8.782 8.290 -0.000 0.000 0.445 383 E N 1.992 122.083 120.200 -0.181 0.000 2.212 383 E HA 0.342 4.694 4.350 0.002 0.000 0.270 383 E C -0.747 175.685 176.600 -0.279 0.000 0.956 383 E CA -0.466 55.708 56.400 -0.377 0.000 0.825 383 E CB 0.973 30.229 29.700 -0.741 0.000 1.167 383 E HN 1.001 9.361 8.360 -0.000 0.000 0.400 384 H N -0.400 118.658 119.070 -0.020 0.000 3.636 384 H HA -0.136 4.421 4.556 0.002 0.000 0.179 384 H C -0.485 174.828 175.328 -0.025 0.000 0.968 384 H CA 0.247 56.283 56.048 -0.020 0.000 1.220 384 H CB -0.677 29.077 29.762 -0.013 0.000 1.023 384 H HN 0.251 8.531 8.280 -0.000 0.000 0.366 385 I N 1.444 122.040 120.570 0.044 0.000 2.382 385 I HA 0.098 4.269 4.170 0.002 0.000 0.286 385 I C 1.324 177.431 176.117 -0.017 0.000 1.002 385 I CA -0.205 61.098 61.300 0.005 0.000 1.135 385 I CB 1.570 39.521 38.000 -0.081 0.000 1.288 385 I HN 0.136 8.346 8.210 -0.000 0.000 0.448 386 K N 4.774 125.174 120.400 -0.001 0.000 2.217 386 K HA 0.041 4.362 4.320 0.002 0.000 0.202 386 K C 0.251 176.857 176.600 0.010 0.000 1.051 386 K CA 1.093 57.378 56.287 -0.003 0.000 0.952 386 K CB 0.364 32.837 32.500 -0.045 0.000 0.736 386 K HN 0.505 8.755 8.250 -0.000 0.000 0.453 387 N N 1.556 120.259 118.700 0.005 0.000 3.012 387 N HA 0.111 4.852 4.740 0.002 0.000 0.270 387 N C -2.328 173.129 175.510 -0.088 0.000 1.469 387 N CA -1.185 51.866 53.050 0.002 0.000 0.928 387 N CB 1.620 40.158 38.487 0.086 0.000 1.219 387 N HN 0.145 8.525 8.380 -0.000 0.000 0.492 388 P HA -0.135 4.285 4.420 -0.000 0.000 0.219 388 P C 1.626 178.870 177.300 -0.093 0.000 1.146 388 P CA 0.485 63.511 63.100 -0.124 0.000 0.808 388 P CB 0.697 32.351 31.700 -0.076 0.000 0.779 389 I N 0.283 120.826 120.570 -0.044 0.000 2.361 389 I HA -0.193 3.979 4.170 0.002 0.000 0.251 389 I C 2.041 178.158 176.117 -0.001 0.000 1.133 389 I CA 1.661 62.953 61.300 -0.014 0.000 1.413 389 I CB -0.705 37.296 38.000 0.003 0.000 1.073 389 I HN -0.166 8.044 8.210 -0.000 0.000 0.424 390 S N -0.745 114.958 115.700 0.004 0.000 2.414 390 S HA -0.039 4.433 4.470 0.002 0.000 0.227 390 S C 2.016 176.635 174.600 0.033 0.000 1.022 390 S CA 1.092 59.353 58.200 0.103 0.000 0.958 390 S CB -0.195 63.182 63.200 0.295 0.000 0.797 390 S HN 0.348 8.658 8.310 -0.000 0.000 0.493 391 V N 2.324 122.039 119.914 -0.332 0.000 2.358 391 V HA -0.173 3.948 4.120 0.002 0.000 0.246 391 V C 2.690 178.792 176.094 0.015 0.000 1.047 391 V CA 1.606 63.694 62.300 -0.354 0.000 1.035 391 V CB -1.311 30.214 31.823 -0.496 0.000 0.658 391 V HN 0.518 8.708 8.190 -0.000 0.000 0.452 392 A N 0.389 123.204 122.820 -0.008 0.000 1.908 392 A HA -0.302 4.019 4.320 0.002 0.000 0.218 392 A C 2.434 180.060 177.584 0.070 0.000 1.181 392 A CA 2.325 54.383 52.037 0.034 0.000 0.627 392 A CB -0.620 18.386 19.000 0.010 0.000 0.818 392 A HN 0.508 8.658 8.150 -0.000 0.000 0.445 393 R N -0.481 120.066 120.500 0.078 0.000 2.096 393 R HA -0.070 4.271 4.340 0.002 0.000 0.235 393 R C 2.228 178.615 176.300 0.144 0.000 1.127 393 R CA 1.378 57.534 56.100 0.093 0.000 0.968 393 R CB -0.385 29.968 30.300 0.090 0.000 0.861 393 R HN 0.444 8.714 8.270 -0.000 0.000 0.440 394 A N 0.241 123.196 122.820 0.226 0.000 1.930 394 A HA -0.075 4.246 4.320 0.002 0.000 0.217 394 A C 2.220 180.043 177.584 0.397 0.000 1.175 394 A CA 1.381 53.626 52.037 0.347 0.000 0.627 394 A CB -0.439 18.818 19.000 0.428 0.000 0.815 394 A HN 0.216 8.366 8.150 -0.000 0.000 0.443 395 V N -0.066 120.019 119.914 0.285 0.000 2.287 395 V HA -0.356 3.766 4.120 0.002 0.000 0.248 395 V C 2.606 178.692 176.094 -0.013 0.000 1.053 395 V CA 2.455 64.729 62.300 -0.044 0.000 1.027 395 V CB -0.706 31.076 31.823 -0.069 0.000 0.646 395 V HN 0.754 8.944 8.190 -0.000 0.000 0.447 396 M N -0.230 119.394 119.600 0.040 0.000 2.080 396 M HA -0.235 4.247 4.480 0.002 0.000 0.260 396 M C 2.078 178.399 176.300 0.036 0.000 1.068 396 M CA 2.122 57.440 55.300 0.030 0.000 1.109 396 M CB -0.146 32.475 32.600 0.036 0.000 1.342 396 M HN 0.373 8.663 8.290 -0.000 0.000 0.405 397 E N -0.748 119.494 120.200 0.071 0.000 2.250 397 E HA -0.048 4.303 4.350 0.002 0.000 0.192 397 E C 1.156 177.799 176.600 0.072 0.000 0.986 397 E CA 0.463 56.903 56.400 0.066 0.000 0.849 397 E CB 0.383 30.130 29.700 0.077 0.000 0.797 397 E HN 0.366 8.726 8.360 -0.000 0.000 0.482 398 K N 0.370 120.837 120.400 0.112 0.000 2.402 398 K HA 0.116 4.438 4.320 0.002 0.000 0.204 398 K C 0.548 177.189 176.600 0.068 0.000 1.056 398 K CA 0.349 56.721 56.287 0.141 0.000 1.069 398 K CB 1.440 34.119 32.500 0.299 0.000 0.888 398 K HN 0.135 8.385 8.250 -0.000 0.000 0.546 399 T N -1.867 112.661 114.554 -0.044 0.000 2.865 399 T HA 0.434 4.786 4.350 0.002 0.000 0.294 399 T C -2.514 172.075 174.700 -0.185 0.000 1.119 399 T CA -1.382 60.620 62.100 -0.164 0.000 1.007 399 T CB 2.667 71.340 68.868 -0.326 0.000 1.225 399 T HN -0.231 8.009 8.240 -0.000 0.000 0.515 400 P HA 0.260 4.680 4.420 -0.000 0.000 0.257 400 P C -0.367 176.752 177.300 -0.301 0.000 1.325 400 P CA -0.030 62.894 63.100 -0.293 0.000 0.850 400 P CB -0.247 31.254 31.700 -0.332 0.000 1.324 401 H N -0.895 118.122 119.070 -0.088 0.000 2.693 401 H HA 0.361 4.919 4.556 0.002 0.000 0.348 401 H C 1.137 176.416 175.328 -0.082 0.000 1.222 401 H CA -1.135 54.861 56.048 -0.087 0.000 1.270 401 H CB 2.311 32.002 29.762 -0.118 0.000 1.798 401 H HN -0.283 7.997 8.280 -0.000 0.000 0.592 402 V N -1.848 118.118 119.914 0.086 0.000 3.502 402 V HA 0.368 4.490 4.120 0.002 0.000 0.288 402 V C 0.158 176.256 176.094 0.006 0.000 1.461 402 V CA -0.003 62.316 62.300 0.031 0.000 1.029 402 V CB 0.249 32.096 31.823 0.040 0.000 0.843 402 V HN 0.561 8.751 8.190 -0.000 0.000 0.438 403 M N 1.490 121.083 119.600 -0.012 0.000 2.277 403 M HA 0.624 5.105 4.480 0.002 0.000 0.282 403 M C -2.459 173.799 176.300 -0.070 0.000 1.074 403 M CA -0.400 54.879 55.300 -0.035 0.000 0.954 403 M CB 2.358 34.941 32.600 -0.028 0.000 1.672 403 M HN 0.168 8.458 8.290 -0.000 0.000 0.471 404 L N 5.332 126.517 121.223 -0.062 0.000 2.362 404 L HA 0.906 5.247 4.340 0.002 0.000 0.271 404 L C -0.655 176.192 176.870 -0.038 0.000 1.002 404 L CA -1.137 53.664 54.840 -0.064 0.000 0.818 404 L CB 2.122 44.146 42.059 -0.059 0.000 1.298 404 L HN 0.602 8.832 8.230 -0.000 0.000 0.420 405 V N -1.033 118.858 119.914 -0.039 0.000 3.001 405 V HA 1.034 5.155 4.120 0.002 0.000 0.314 405 V C 0.336 176.417 176.094 -0.023 0.000 1.099 405 V CA 0.265 62.545 62.300 -0.034 0.000 0.989 405 V CB 1.174 32.970 31.823 -0.045 0.000 1.040 405 V HN 1.028 9.218 8.190 -0.000 0.000 0.434 406 G N 2.358 111.143 108.800 -0.025 0.000 2.539 406 G HA2 -0.256 3.705 3.960 0.002 0.000 0.256 406 G HA3 -0.256 3.705 3.960 0.002 0.000 0.256 406 G C 0.241 175.142 174.900 0.003 0.000 1.233 406 G CA 0.709 45.797 45.100 -0.019 0.000 0.936 406 G HN 0.975 9.265 8.290 -0.000 0.000 0.571 407 D N 0.733 121.142 120.400 0.016 0.000 2.158 407 D HA -0.072 4.569 4.640 0.002 0.000 0.197 407 D C 2.506 178.834 176.300 0.047 0.000 0.995 407 D CA 2.274 56.296 54.000 0.036 0.000 0.846 407 D CB -0.973 39.851 40.800 0.040 0.000 0.941 407 D HN 0.782 9.152 8.370 -0.000 0.000 0.456 408 G N 0.611 109.433 108.800 0.037 0.000 2.422 408 G HA2 -0.121 3.840 3.960 0.002 0.000 0.218 408 G HA3 -0.121 3.840 3.960 0.002 0.000 0.218 408 G C 1.716 176.673 174.900 0.095 0.000 1.140 408 G CA 1.046 46.180 45.100 0.055 0.000 0.775 408 G HN 0.405 8.695 8.290 -0.000 0.000 0.545 409 A N 0.554 123.415 122.820 0.069 0.000 1.873 409 A HA 0.091 4.413 4.320 0.002 0.000 0.215 409 A C 2.327 179.978 177.584 0.112 0.000 1.186 409 A CA 1.614 53.711 52.037 0.099 0.000 0.616 409 A CB -0.457 18.563 19.000 0.034 0.000 0.823 409 A HN 0.452 8.602 8.150 -0.000 0.000 0.442 410 L N 0.248 121.510 121.223 0.064 0.000 2.046 410 L HA -0.154 4.187 4.340 0.002 0.000 0.208 410 L C 2.266 179.183 176.870 0.079 0.000 1.077 410 L CA 2.774 57.649 54.840 0.058 0.000 0.747 410 L CB -0.679 41.419 42.059 0.064 0.000 0.896 410 L HN 0.618 8.848 8.230 -0.000 0.000 0.432 411 E N -1.265 118.995 120.200 0.099 0.000 2.077 411 E HA -0.299 4.052 4.350 0.002 0.000 0.193 411 E C 2.177 178.853 176.600 0.126 0.000 0.989 411 E CA 1.437 57.897 56.400 0.101 0.000 0.800 411 E CB -0.410 29.351 29.700 0.101 0.000 0.746 411 E HN 0.510 8.870 8.360 -0.000 0.000 0.452 412 F N 1.372 121.347 119.950 0.042 0.000 2.095 412 F HA -0.169 4.359 4.527 0.002 0.000 0.298 412 F C 2.073 177.924 175.800 0.085 0.000 1.104 412 F CA 1.727 59.760 58.000 0.055 0.000 1.232 412 F CB -0.792 38.234 39.000 0.043 0.000 0.987 412 F HN 0.104 8.404 8.300 -0.000 0.000 0.475 413 A N 0.832 123.570 122.820 -0.136 0.000 1.883 413 A HA -0.168 4.154 4.320 0.002 0.000 0.217 413 A C 2.361 179.966 177.584 0.035 0.000 1.186 413 A CA 1.971 53.916 52.037 -0.154 0.000 0.624 413 A CB -1.301 17.596 19.000 -0.172 0.000 0.822 413 A HN 0.506 8.656 8.150 -0.000 0.000 0.444 414 L N 0.452 121.688 121.223 0.023 0.000 2.042 414 L HA -0.218 4.124 4.340 0.002 0.000 0.210 414 L C 2.998 179.855 176.870 -0.023 0.000 1.076 414 L CA 1.711 56.568 54.840 0.029 0.000 0.749 414 L CB -0.639 41.439 42.059 0.031 0.000 0.893 414 L HN 0.638 8.868 8.230 -0.000 0.000 0.432 415 S N -0.976 114.688 115.700 -0.060 0.000 2.442 415 S HA -0.191 4.281 4.470 0.002 0.000 0.236 415 S C 1.741 176.265 174.600 -0.128 0.000 1.007 415 S CA 0.853 59.011 58.200 -0.070 0.000 0.965 415 S CB -0.187 62.998 63.200 -0.025 0.000 0.773 415 S HN 0.439 8.748 8.310 -0.000 0.000 0.504 416 Q N 0.340 120.020 119.800 -0.200 0.000 2.280 416 Q HA 0.302 4.643 4.340 0.002 0.000 0.201 416 Q C 1.382 177.254 176.000 -0.213 0.000 0.890 416 Q CA 0.622 56.309 55.803 -0.194 0.000 0.947 416 Q CB 0.391 28.989 28.738 -0.233 0.000 1.081 416 Q HN 0.809 9.079 8.270 -0.000 0.000 0.502 417 G N 0.596 109.302 108.800 -0.157 0.000 2.176 417 G HA2 -0.251 3.711 3.960 0.002 0.000 0.232 417 G HA3 -0.251 3.711 3.960 0.002 0.000 0.232 417 G C -0.063 174.679 174.900 -0.262 0.000 0.986 417 G CA -0.399 44.575 45.100 -0.209 0.000 0.643 417 G HN 0.265 8.555 8.290 -0.000 0.000 0.522 418 F N 1.651 121.541 119.950 -0.101 0.000 2.506 418 F HA 0.456 4.985 4.527 0.002 0.000 0.351 418 F C 1.242 177.006 175.800 -0.060 0.000 1.136 418 F CA 0.653 58.607 58.000 -0.077 0.000 1.298 418 F CB 0.754 39.707 39.000 -0.079 0.000 1.145 418 F HN 0.261 8.561 8.300 -0.000 0.000 0.593 419 K N 2.260 122.733 120.400 0.122 0.000 2.206 419 K HA 0.404 4.725 4.320 0.002 0.000 0.264 419 K C -0.838 175.794 176.600 0.052 0.000 0.967 419 K CA -1.061 55.254 56.287 0.046 0.000 0.844 419 K CB 1.591 34.090 32.500 -0.001 0.000 1.099 419 K HN 0.475 8.725 8.250 -0.000 0.000 0.441 420 K N 2.495 122.912 120.400 0.028 0.000 2.451 420 K HA -0.003 4.318 4.320 0.002 0.000 0.280 420 K C -0.842 175.745 176.600 -0.022 0.000 1.020 420 K CA 0.647 56.942 56.287 0.013 0.000 1.008 420 K CB 0.477 32.957 32.500 -0.034 0.000 0.917 420 K HN 0.668 8.918 8.250 -0.000 0.000 0.478 421 E N 2.340 122.537 120.200 -0.006 0.000 2.390 421 E HA 0.082 4.433 4.350 0.002 0.000 0.277 421 E C -1.411 175.188 176.600 -0.001 0.000 0.939 421 E CA -1.064 55.311 56.400 -0.042 0.000 0.769 421 E CB 1.341 30.985 29.700 -0.092 0.000 1.251 421 E HN 0.408 8.768 8.360 -0.000 0.000 0.450 422 N N 2.289 120.982 118.700 -0.012 0.000 2.402 422 N HA 0.111 4.853 4.740 0.002 0.000 0.252 422 N C 0.128 175.702 175.510 0.107 0.000 1.118 422 N CA 0.139 53.225 53.050 0.059 0.000 0.945 422 N CB 0.418 38.934 38.487 0.049 0.000 1.147 422 N HN 0.517 8.897 8.380 -0.000 0.000 0.495 423 L N 2.110 123.423 121.223 0.150 0.000 2.558 423 L HA 0.166 4.508 4.340 0.002 0.000 0.225 423 L C 0.579 177.597 176.870 0.245 0.000 1.128 423 L CA -0.058 54.920 54.840 0.230 0.000 0.868 423 L CB -0.088 42.057 42.059 0.143 0.000 1.006 423 L HN 0.415 8.645 8.230 -0.000 0.000 0.454 424 L N 1.716 123.028 121.223 0.150 0.000 2.283 424 L HA 0.207 4.549 4.340 0.002 0.000 0.287 424 L C 0.749 177.686 176.870 0.111 0.000 1.073 424 L CA 0.014 54.905 54.840 0.086 0.000 0.822 424 L CB 0.731 42.809 42.059 0.033 0.000 1.186 424 L HN 0.055 8.285 8.230 -0.000 0.000 0.436 425 T N 1.737 116.327 114.554 0.060 0.000 2.828 425 T HA 0.469 4.820 4.350 0.002 0.000 0.290 425 T C 1.395 176.126 174.700 0.052 0.000 1.019 425 T CA -0.191 61.928 62.100 0.032 0.000 1.031 425 T CB 1.134 69.937 68.868 -0.108 0.000 1.001 425 T HN 0.677 8.917 8.240 -0.000 0.000 0.531 426 A N 0.146 122.997 122.820 0.051 0.000 1.908 426 A HA -0.131 4.191 4.320 0.002 0.000 0.218 426 A C 2.303 179.925 177.584 0.064 0.000 1.181 426 A CA 2.000 54.075 52.037 0.063 0.000 0.627 426 A CB -1.143 17.887 19.000 0.050 0.000 0.818 426 A HN 1.056 9.206 8.150 -0.000 0.000 0.445 427 E N -0.141 120.080 120.200 0.035 0.000 2.051 427 E HA -0.161 4.191 4.350 0.002 0.000 0.192 427 E C 2.097 178.740 176.600 0.071 0.000 0.991 427 E CA 1.489 57.911 56.400 0.037 0.000 0.799 427 E CB -0.161 29.539 29.700 0.000 0.000 0.748 427 E HN 0.527 8.887 8.360 -0.000 0.000 0.449 428 S N 0.522 116.257 115.700 0.058 0.000 2.382 428 S HA -0.195 4.276 4.470 0.002 0.000 0.228 428 S C 1.820 176.545 174.600 0.207 0.000 1.027 428 S CA 1.315 59.576 58.200 0.101 0.000 0.991 428 S CB -0.263 62.958 63.200 0.035 0.000 0.823 428 S HN 0.385 8.695 8.310 -0.000 0.000 0.469 429 E N 1.522 121.839 120.200 0.195 0.000 2.051 429 E HA -0.210 4.141 4.350 0.002 0.000 0.192 429 E C 2.142 178.929 176.600 0.312 0.000 0.991 429 E CA 1.129 57.718 56.400 0.315 0.000 0.799 429 E CB -0.127 29.716 29.700 0.238 0.000 0.748 429 E HN 0.380 8.740 8.360 -0.000 0.000 0.449 430 K N 0.614 121.126 120.400 0.186 0.000 2.001 430 K HA -0.265 4.057 4.320 0.002 0.000 0.214 430 K C 2.040 178.723 176.600 0.138 0.000 1.050 430 K CA 2.136 58.499 56.287 0.128 0.000 0.934 430 K CB -0.155 32.396 32.500 0.085 0.000 0.718 430 K HN 0.173 8.423 8.250 -0.000 0.000 0.443 431 E N -0.593 119.711 120.200 0.174 0.000 2.130 431 E HA -0.238 4.113 4.350 0.002 0.000 0.196 431 E C 1.704 178.470 176.600 0.277 0.000 0.998 431 E CA 1.556 58.080 56.400 0.208 0.000 0.806 431 E CB -0.268 29.572 29.700 0.235 0.000 0.738 431 E HN 0.514 8.874 8.360 -0.000 0.000 0.459 432 W N 2.022 123.424 121.300 0.171 0.000 2.379 432 W HA -0.147 4.514 4.660 0.002 0.000 0.307 432 W C 1.741 178.329 176.519 0.115 0.000 1.200 432 W CA 1.381 58.819 57.345 0.155 0.000 1.297 432 W CB -0.150 29.438 29.460 0.213 0.000 1.140 432 W HN -0.190 7.990 8.180 -0.000 0.000 0.507 433 K N 0.137 120.390 120.400 -0.245 0.000 2.063 433 K HA -0.211 4.111 4.320 0.002 0.000 0.208 433 K C 1.921 178.340 176.600 -0.303 0.000 1.048 433 K CA 2.118 58.106 56.287 -0.499 0.000 0.928 433 K CB -0.355 31.991 32.500 -0.257 0.000 0.713 433 K HN 0.282 8.532 8.250 -0.000 0.000 0.442 434 E N -0.147 119.977 120.200 -0.127 0.000 2.051 434 E HA -0.229 4.123 4.350 0.002 0.000 0.192 434 E C 1.729 178.258 176.600 -0.118 0.000 0.991 434 E CA 1.235 57.579 56.400 -0.093 0.000 0.799 434 E CB -0.218 29.475 29.700 -0.012 0.000 0.748 434 E HN 0.390 8.750 8.360 -0.000 0.000 0.449 435 W N 1.806 122.942 121.300 -0.273 0.000 2.305 435 W HA -0.235 4.426 4.660 0.002 0.000 0.308 435 W C 1.727 178.031 176.519 -0.357 0.000 1.226 435 W CA 1.490 58.620 57.345 -0.357 0.000 1.253 435 W CB -0.338 28.689 29.460 -0.721 0.000 1.146 435 W HN -0.005 8.175 8.180 -0.000 0.000 0.507 436 L N 0.564 121.504 121.223 -0.473 0.000 2.129 436 L HA -0.173 4.168 4.340 0.002 0.000 0.212 436 L C 2.085 178.633 176.870 -0.537 0.000 1.087 436 L CA 1.762 56.231 54.840 -0.619 0.000 0.757 436 L CB -1.541 40.193 42.059 -0.541 0.000 0.896 436 L HN 0.038 8.268 8.230 -0.000 0.000 0.434 450 H N 0.411 118.006 119.070 -2.458 0.000 2.592 450 H HA -0.129 4.428 4.556 0.002 0.000 0.323 450 H C -0.114 174.735 175.328 -0.798 0.000 1.117 450 H CA 0.933 55.847 56.048 -1.891 0.000 1.120 450 H CB -0.789 28.236 29.762 -1.228 0.000 1.561 450 H HN 0.601 8.881 8.280 -0.000 0.000 0.409 451 D N -0.240 119.898 120.400 -0.436 0.000 2.349 451 D HA 0.059 4.700 4.640 0.002 0.000 0.215 451 D C 1.210 177.534 176.300 0.041 0.000 1.016 451 D CA 0.834 54.760 54.000 -0.123 0.000 0.870 451 D CB 0.173 40.926 40.800 -0.078 0.000 0.917 451 D HN 0.453 8.823 8.370 -0.000 0.000 0.524 452 C N -1.295 118.120 119.300 0.192 0.000 3.259 452 C HA 0.717 5.178 4.460 0.002 0.000 0.344 452 C C -1.467 173.796 174.990 0.454 0.000 1.401 452 C CA -1.380 57.786 59.018 0.248 0.000 1.219 452 C CB 0.819 28.666 27.740 0.178 0.000 1.521 452 C HN 0.214 8.444 8.230 -0.000 0.000 0.455 453 I N 1.704 122.435 120.570 0.270 0.000 2.436 453 I HA 0.719 4.890 4.170 0.002 0.000 0.289 453 I C 0.195 176.411 176.117 0.165 0.000 1.010 453 I CA 0.005 61.463 61.300 0.264 0.000 1.098 453 I CB 1.664 39.612 38.000 -0.086 0.000 1.266 453 I HN 1.197 9.407 8.210 -0.000 0.000 0.434 454 G N 7.398 116.316 108.800 0.197 0.000 2.452 454 G HA2 0.657 4.618 3.960 0.002 0.000 0.324 454 G HA3 0.657 4.618 3.960 0.002 0.000 0.324 454 G C -1.394 173.572 174.900 0.111 0.000 1.214 454 G CA -0.673 44.503 45.100 0.127 0.000 0.947 454 G HN 0.624 8.914 8.290 -0.000 0.000 0.478 455 M N 2.699 122.342 119.600 0.072 0.000 2.324 455 M HA 0.647 5.128 4.480 0.002 0.000 0.288 455 M C -1.521 174.805 176.300 0.044 0.000 1.097 455 M CA -0.935 54.401 55.300 0.060 0.000 0.928 455 M CB 2.097 34.722 32.600 0.042 0.000 1.648 455 M HN 0.584 8.874 8.290 -0.000 0.000 0.460 456 I N 1.549 122.145 120.570 0.044 0.000 2.730 456 I HA 1.033 5.204 4.170 0.002 0.000 0.298 456 I C -1.303 174.835 176.117 0.034 0.000 1.089 456 I CA -0.768 60.548 61.300 0.028 0.000 1.041 456 I CB 2.115 40.130 38.000 0.025 0.000 1.235 456 I HN 0.771 8.981 8.210 -0.000 0.000 0.423 457 A N 4.755 127.589 122.820 0.024 0.000 2.572 457 A HA 0.823 5.144 4.320 0.002 0.000 0.295 457 A C -1.867 175.733 177.584 0.025 0.000 1.072 457 A CA -0.585 51.475 52.037 0.038 0.000 0.691 457 A CB 2.068 21.091 19.000 0.039 0.000 1.291 457 A HN 0.778 8.928 8.150 -0.000 0.000 0.404 458 L N 2.136 123.385 121.223 0.043 0.000 2.319 458 L HA 0.639 4.980 4.340 0.002 0.000 0.281 458 L C -0.464 176.419 176.870 0.022 0.000 1.005 458 L CA -0.334 54.524 54.840 0.031 0.000 0.828 458 L CB 1.186 43.276 42.059 0.052 0.000 1.227 458 L HN 0.858 9.088 8.230 -0.000 0.000 0.415 459 D N 3.622 124.017 120.400 -0.008 0.000 2.506 459 D HA 0.406 5.047 4.640 0.002 0.000 0.272 459 D C 1.012 177.290 176.300 -0.035 0.000 1.214 459 D CA 0.030 54.006 54.000 -0.040 0.000 1.067 459 D CB 0.707 41.473 40.800 -0.057 0.000 1.117 459 D HN 0.517 8.887 8.370 -0.000 0.000 0.578 460 A N -0.954 121.828 122.820 -0.064 0.000 2.067 460 A HA -0.184 4.137 4.320 0.002 0.000 0.219 460 A C 1.930 179.498 177.584 -0.028 0.000 1.158 460 A CA 1.250 53.259 52.037 -0.048 0.000 0.661 460 A CB -0.846 18.110 19.000 -0.074 0.000 0.801 460 A HN 0.602 8.752 8.150 -0.000 0.000 0.452 461 Q N -1.581 118.202 119.800 -0.029 0.000 2.472 461 Q HA 0.223 4.564 4.340 0.002 0.000 0.208 461 Q C 1.120 177.115 176.000 -0.009 0.000 0.958 461 Q CA 0.439 56.231 55.803 -0.018 0.000 0.932 461 Q CB 0.010 28.735 28.738 -0.021 0.000 1.007 461 Q HN 0.866 9.136 8.270 -0.000 0.000 0.508 462 G N 1.090 109.887 108.800 -0.005 0.000 2.136 462 G HA2 -0.205 3.756 3.960 0.002 0.000 0.242 462 G HA3 -0.205 3.756 3.960 0.002 0.000 0.242 462 G C -0.335 174.565 174.900 -0.001 0.000 0.989 462 G CA -0.165 44.937 45.100 0.003 0.000 0.682 462 G HN 0.219 8.509 8.290 -0.000 0.000 0.522 463 N N -0.141 118.553 118.700 -0.010 0.000 2.443 463 N HA 0.663 5.405 4.740 0.002 0.000 0.295 463 N C 0.243 175.740 175.510 -0.022 0.000 1.076 463 N CA -0.342 52.697 53.050 -0.017 0.000 0.919 463 N CB 1.534 40.008 38.487 -0.021 0.000 1.176 463 N HN 0.255 8.635 8.380 -0.000 0.000 0.487 464 L N 0.836 122.039 121.223 -0.034 0.000 2.343 464 L HA 0.534 4.876 4.340 0.002 0.000 0.275 464 L C 0.297 177.129 176.870 -0.064 0.000 1.056 464 L CA -0.191 54.622 54.840 -0.044 0.000 0.804 464 L CB 1.235 43.257 42.059 -0.061 0.000 1.203 464 L HN 0.424 8.654 8.230 -0.000 0.000 0.440 465 S N -0.050 115.617 115.700 -0.055 0.000 2.625 465 S HA 0.861 5.332 4.470 0.002 0.000 0.271 465 S C -0.621 173.950 174.600 -0.048 0.000 1.161 465 S CA -0.600 57.561 58.200 -0.066 0.000 0.820 465 S CB 2.184 65.355 63.200 -0.047 0.000 1.137 465 S HN 0.835 9.145 8.310 -0.000 0.000 0.470 466 G N -0.311 108.459 108.800 -0.050 0.000 2.692 466 G HA2 0.816 4.777 3.960 0.002 0.000 0.291 466 G HA3 0.816 4.777 3.960 0.002 0.000 0.291 466 G C -1.787 173.106 174.900 -0.011 0.000 1.423 466 G CA -0.237 44.850 45.100 -0.023 0.000 0.843 466 G HN 1.036 9.326 8.290 -0.000 0.000 0.486 467 A N -1.083 121.743 122.820 0.010 0.000 2.549 467 A HA 0.771 5.093 4.320 0.002 0.000 0.297 467 A C -1.197 176.406 177.584 0.031 0.000 1.061 467 A CA -0.493 51.553 52.037 0.015 0.000 0.690 467 A CB 1.581 20.588 19.000 0.011 0.000 1.287 467 A HN 1.870 10.020 8.150 -0.000 0.000 0.402 468 C N 0.863 120.183 119.300 0.033 0.000 2.608 468 C HA 0.929 5.391 4.460 0.002 0.000 0.325 468 C C -0.343 174.667 174.990 0.034 0.000 1.147 468 C CA 0.382 59.429 59.018 0.048 0.000 1.359 468 C CB 0.899 28.676 27.740 0.062 0.000 1.912 468 C HN 1.335 9.565 8.230 -0.000 0.000 0.466 469 T N 2.861 117.436 114.554 0.035 0.000 2.923 469 T HA 0.769 5.120 4.350 0.002 0.000 0.311 469 T C -1.057 173.659 174.700 0.026 0.000 1.183 469 T CA -0.049 62.061 62.100 0.017 0.000 1.020 469 T CB 1.887 70.753 68.868 -0.003 0.000 1.165 469 T HN 1.011 9.251 8.240 -0.000 0.000 0.482 470 T N 0.606 115.168 114.554 0.012 0.000 2.840 470 T HA 0.500 4.852 4.350 0.002 0.000 0.317 470 T C 0.588 175.279 174.700 -0.015 0.000 1.401 470 T CA 0.132 62.239 62.100 0.012 0.000 1.028 470 T CB 1.187 70.067 68.868 0.019 0.000 1.317 470 T HN 0.759 8.999 8.240 -0.000 0.000 0.495 471 S N 0.947 116.629 115.700 -0.030 0.000 2.556 471 S HA 0.565 5.036 4.470 0.002 0.000 0.216 471 S C 1.230 175.782 174.600 -0.082 0.000 0.970 471 S CA 0.447 58.612 58.200 -0.058 0.000 0.912 471 S CB -0.468 62.690 63.200 -0.070 0.000 0.790 471 S HN 1.885 10.195 8.310 -0.000 0.000 0.504 472 G N 2.057 110.816 108.800 -0.068 0.000 2.796 472 G HA2 -0.135 3.827 3.960 0.002 0.000 0.571 472 G HA3 -0.135 3.827 3.960 0.002 0.000 0.571 472 G C -0.391 174.438 174.900 -0.118 0.000 1.370 472 G CA -0.603 44.452 45.100 -0.075 0.000 0.856 472 G HN 0.262 8.552 8.290 -0.000 0.000 0.538 473 M N 0.898 120.433 119.600 -0.109 0.000 2.246 473 M HA 0.446 4.927 4.480 0.002 0.000 0.350 473 M C 1.285 177.446 176.300 -0.232 0.000 1.406 473 M CA 0.280 55.497 55.300 -0.140 0.000 1.089 473 M CB 0.125 32.681 32.600 -0.072 0.000 1.782 473 M HN 1.539 9.829 8.290 -0.000 0.000 0.457 474 A N 4.574 127.181 122.820 -0.355 0.000 2.567 474 A HA 0.146 4.468 4.320 0.002 0.000 0.240 474 A C -0.153 176.985 177.584 -0.744 0.000 1.053 474 A CA 0.020 51.621 52.037 -0.726 0.000 0.755 474 A CB -0.626 17.834 19.000 -0.901 0.000 0.978 474 A HN 0.852 9.002 8.150 -0.000 0.000 0.507 475 Y N -0.834 119.240 120.300 -0.377 0.000 4.177 475 Y HA -0.277 4.274 4.550 0.002 0.000 0.227 475 Y C 1.048 176.795 175.900 -0.255 0.000 1.154 475 Y CA 0.775 58.550 58.100 -0.541 0.000 1.887 475 Y CB -2.724 34.886 38.460 -1.416 0.000 1.594 475 Y HN 0.918 9.198 8.280 -0.000 0.000 0.668 476 K N -0.003 120.350 120.400 -0.079 0.000 2.402 476 K HA 0.227 4.548 4.320 0.002 0.000 0.265 476 K C 0.570 177.211 176.600 0.069 0.000 0.978 476 K CA -0.257 56.032 56.287 0.004 0.000 0.913 476 K CB 0.529 33.013 32.500 -0.027 0.000 0.954 476 K HN 0.298 8.548 8.250 -0.000 0.000 0.511 477 M N 2.033 121.689 119.600 0.092 0.000 2.252 477 M HA -0.062 4.419 4.480 0.002 0.000 0.329 477 M C 0.451 176.826 176.300 0.125 0.000 1.101 477 M CA 0.085 55.457 55.300 0.120 0.000 1.117 477 M CB -0.166 32.491 32.600 0.095 0.000 1.563 477 M HN 0.608 8.898 8.290 -0.000 0.000 0.445 478 H N 1.576 120.669 119.070 0.039 0.000 3.167 478 H HA 0.094 4.652 4.556 0.002 0.000 0.306 478 H C 1.127 176.458 175.328 0.004 0.000 0.965 478 H CA 1.492 57.548 56.048 0.014 0.000 1.408 478 H CB 0.018 29.796 29.762 0.026 0.000 1.406 478 H HN 0.780 9.060 8.280 -0.000 0.000 0.576 479 G N 4.389 113.063 108.800 -0.209 0.000 2.179 479 G HA2 -0.292 3.670 3.960 0.002 0.000 0.260 479 G HA3 -0.292 3.670 3.960 0.002 0.000 0.260 479 G C 0.696 175.531 174.900 -0.108 0.000 0.977 479 G CA 0.202 45.146 45.100 -0.260 0.000 0.641 479 G HN 0.844 9.134 8.290 -0.000 0.000 0.533 480 R N 0.647 121.118 120.500 -0.048 0.000 2.522 480 R HA 0.397 4.738 4.340 0.002 0.000 0.284 480 R C -0.495 175.787 176.300 -0.030 0.000 1.032 480 R CA 0.349 56.434 56.100 -0.025 0.000 1.049 480 R CB 0.554 30.852 30.300 -0.002 0.000 0.956 480 R HN 0.266 8.536 8.270 -0.000 0.000 0.422 481 V N 4.467 124.367 119.914 -0.024 0.000 2.495 481 V HA 0.482 4.603 4.120 0.002 0.000 0.298 481 V C 0.950 177.041 176.094 -0.005 0.000 1.031 481 V CA -0.445 61.843 62.300 -0.019 0.000 0.871 481 V CB 1.772 33.581 31.823 -0.023 0.000 0.988 481 V HN 0.968 9.158 8.190 -0.000 0.000 0.432 482 G N 2.031 110.830 108.800 -0.002 0.000 2.641 482 G HA2 0.264 4.225 3.960 0.002 0.000 0.239 482 G HA3 0.264 4.225 3.960 0.002 0.000 0.239 482 G C 0.628 175.540 174.900 0.020 0.000 1.402 482 G CA 0.416 45.523 45.100 0.011 0.000 1.046 482 G HN 0.719 9.009 8.290 -0.000 0.000 0.565 483 D N -0.995 119.424 120.400 0.031 0.000 2.289 483 D HA -0.049 4.592 4.640 0.002 0.000 0.207 483 D C 2.061 178.390 176.300 0.049 0.000 0.966 483 D CA 0.906 54.933 54.000 0.045 0.000 0.868 483 D CB -0.226 40.610 40.800 0.059 0.000 0.943 483 D HN 0.185 8.555 8.370 -0.000 0.000 0.514 484 S N 1.277 117.001 115.700 0.040 0.000 2.400 484 S HA -0.047 4.424 4.470 0.002 0.000 0.232 484 S C -0.943 173.681 174.600 0.040 0.000 1.025 484 S CA 1.189 59.416 58.200 0.045 0.000 0.993 484 S CB -0.615 62.607 63.200 0.038 0.000 0.808 484 S HN 0.457 8.767 8.310 -0.000 0.000 0.478 485 P HA 0.324 4.744 4.420 -0.000 0.000 0.274 485 P C -0.185 177.134 177.300 0.031 0.000 1.352 485 P CA 0.190 63.304 63.100 0.023 0.000 0.947 485 P CB 0.017 31.721 31.700 0.006 0.000 1.437 486 I N 1.792 122.388 120.570 0.043 0.000 2.312 486 I HA 0.224 4.395 4.170 0.002 0.000 0.290 486 I C 0.723 176.887 176.117 0.079 0.000 1.008 486 I CA -1.129 60.201 61.300 0.048 0.000 1.226 486 I CB 1.282 39.306 38.000 0.040 0.000 1.371 486 I HN -0.246 7.964 8.210 -0.000 0.000 0.468 487 I N 5.714 126.339 120.570 0.091 0.000 2.618 487 I HA 0.076 4.247 4.170 0.002 0.000 0.284 487 I C 1.423 177.644 176.117 0.174 0.000 1.146 487 I CA 0.980 62.375 61.300 0.158 0.000 1.425 487 I CB 0.120 38.218 38.000 0.163 0.000 1.383 487 I HN 0.995 9.205 8.210 -0.000 0.000 0.562 488 G N 4.734 113.690 108.800 0.261 0.000 2.268 488 G HA2 -0.262 3.699 3.960 0.002 0.000 0.240 488 G HA3 -0.262 3.699 3.960 0.002 0.000 0.240 488 G C 0.762 175.725 174.900 0.105 0.000 1.010 488 G CA 0.692 45.860 45.100 0.114 0.000 0.618 488 G HN 0.812 9.102 8.290 -0.000 0.000 0.516 489 A N 0.105 122.996 122.820 0.118 0.000 2.265 489 A HA 0.665 4.986 4.320 0.002 0.000 0.226 489 A C 2.574 180.256 177.584 0.164 0.000 1.937 489 A CA 1.490 53.602 52.037 0.124 0.000 0.771 489 A CB -0.982 18.070 19.000 0.088 0.000 1.421 489 A HN 1.467 9.617 8.150 -0.000 0.000 0.570 490 G N -1.234 107.644 108.800 0.130 0.000 2.471 490 G HA2 0.281 4.242 3.960 0.002 0.000 0.219 490 G HA3 0.281 4.242 3.960 0.002 0.000 0.219 490 G C 0.216 175.202 174.900 0.145 0.000 1.125 490 G CA 1.480 46.656 45.100 0.127 0.000 0.775 490 G HN 0.670 8.960 8.290 -0.000 0.000 0.548 491 L N -1.664 119.654 121.223 0.158 0.000 2.565 491 L HA 0.764 5.106 4.340 0.002 0.000 0.261 491 L C -2.277 174.732 176.870 0.231 0.000 0.932 491 L CA -1.132 53.797 54.840 0.149 0.000 0.878 491 L CB 2.131 44.241 42.059 0.085 0.000 1.333 491 L HN -0.031 8.199 8.230 -0.000 0.000 0.409 492 F N 4.614 124.573 119.950 0.016 0.000 2.596 492 F HA 0.810 5.338 4.527 0.002 0.000 0.311 492 F C -1.591 174.174 175.800 -0.058 0.000 1.116 492 F CA -0.574 57.420 58.000 -0.010 0.000 0.957 492 F CB 2.123 41.144 39.000 0.035 0.000 1.250 492 F HN 0.221 8.521 8.300 -0.000 0.000 0.444 493 V N 4.790 124.112 119.914 -0.987 0.000 2.569 493 V HA 0.388 4.509 4.120 0.002 0.000 0.301 493 V C -1.494 174.021 176.094 -0.964 0.000 1.044 493 V CA -0.694 61.199 62.300 -0.680 0.000 0.874 493 V CB 1.732 33.299 31.823 -0.426 0.000 1.002 493 V HN 0.671 8.861 8.190 -0.000 0.000 0.424 494 D N 3.381 123.456 120.400 -0.542 0.000 2.549 494 D HA 0.259 4.901 4.640 0.002 0.000 0.251 494 D C 0.610 176.837 176.300 -0.122 0.000 1.153 494 D CA -0.417 53.378 54.000 -0.342 0.000 0.861 494 D CB 1.953 42.760 40.800 0.011 0.000 1.207 494 D HN 0.424 8.794 8.370 -0.000 0.000 0.543 495 N N 2.508 121.159 118.700 -0.081 0.000 2.381 495 N HA -0.108 4.633 4.740 0.002 0.000 0.182 495 N C 0.807 176.323 175.510 0.010 0.000 1.025 495 N CA 0.992 54.022 53.050 -0.034 0.000 0.888 495 N CB 0.267 38.745 38.487 -0.015 0.000 0.965 495 N HN 0.515 8.895 8.380 -0.000 0.000 0.438 496 E N -1.179 119.048 120.200 0.045 0.000 2.479 496 E HA 0.127 4.479 4.350 0.002 0.000 0.193 496 E C 0.742 177.366 176.600 0.041 0.000 1.049 496 E CA 0.150 56.578 56.400 0.047 0.000 0.870 496 E CB 0.552 30.291 29.700 0.065 0.000 0.944 496 E HN 0.478 8.838 8.360 -0.000 0.000 0.492 497 I N -1.597 118.994 120.570 0.035 0.000 3.685 497 I HA 0.296 4.468 4.170 0.002 0.000 0.258 497 I C 0.951 177.077 176.117 0.015 0.000 1.135 497 I CA -0.002 61.317 61.300 0.031 0.000 1.436 497 I CB 1.217 39.248 38.000 0.052 0.000 1.670 497 I HN 0.040 8.250 8.210 -0.000 0.000 0.424 498 G N 0.676 109.478 108.800 0.002 0.000 2.324 498 G HA2 0.640 4.602 3.960 0.002 0.000 0.293 498 G HA3 0.640 4.602 3.960 0.002 0.000 0.293 498 G C -2.177 172.707 174.900 -0.027 0.000 1.297 498 G CA 0.058 45.156 45.100 -0.004 0.000 0.853 498 G HN 0.429 8.719 8.290 -0.000 0.000 0.535 499 A N -1.307 121.504 122.820 -0.014 0.000 2.539 499 A HA 1.133 5.455 4.320 0.002 0.000 0.296 499 A C -0.253 177.344 177.584 0.020 0.000 1.073 499 A CA 0.297 52.319 52.037 -0.025 0.000 0.700 499 A CB 1.603 20.576 19.000 -0.045 0.000 1.296 499 A HN 2.598 10.748 8.150 -0.000 0.000 0.405 500 A N 0.072 122.921 122.820 0.049 0.000 2.574 500 A HA 0.888 5.209 4.320 0.002 0.000 0.297 500 A C -0.557 177.098 177.584 0.117 0.000 1.062 500 A CA 0.028 52.110 52.037 0.075 0.000 0.686 500 A CB 1.596 20.623 19.000 0.045 0.000 1.285 500 A HN 1.647 9.797 8.150 -0.000 0.000 0.403 501 T N -0.325 114.315 114.554 0.143 0.000 2.896 501 T HA 0.795 5.146 4.350 0.002 0.000 0.297 501 T C -0.644 174.172 174.700 0.194 0.000 1.108 501 T CA 0.359 62.552 62.100 0.155 0.000 1.004 501 T CB 1.524 70.456 68.868 0.105 0.000 1.159 501 T HN 2.037 10.277 8.240 -0.000 0.000 0.499 502 A N 1.498 124.408 122.820 0.149 0.000 2.386 502 A HA 0.893 5.215 4.320 0.002 0.000 0.308 502 A C -0.255 177.282 177.584 -0.077 0.000 1.128 502 A CA -0.652 51.388 52.037 0.004 0.000 0.789 502 A CB 2.025 21.067 19.000 0.069 0.000 1.325 502 A HN 0.835 8.985 8.150 -0.000 0.000 0.437 503 T N -1.287 113.116 114.554 -0.252 0.000 2.864 503 T HA 0.761 5.112 4.350 0.002 0.000 0.299 503 T C 0.014 174.612 174.700 -0.169 0.000 1.166 503 T CA 0.955 62.996 62.100 -0.098 0.000 1.007 503 T CB 1.367 70.241 68.868 0.010 0.000 1.219 503 T HN 2.686 10.926 8.240 -0.000 0.000 0.506 504 G N 1.540 110.326 108.800 -0.024 0.000 2.306 504 G HA2 -0.003 3.958 3.960 0.002 0.000 0.262 504 G HA3 -0.003 3.958 3.960 0.002 0.000 0.262 504 G C -1.283 173.548 174.900 -0.115 0.000 1.263 504 G CA -0.699 44.357 45.100 -0.074 0.000 1.088 504 G HN 1.008 9.297 8.290 -0.000 0.000 0.489 505 H N 1.296 120.355 119.070 -0.018 0.000 3.145 505 H HA 0.363 4.920 4.556 0.002 0.000 0.263 505 H C 1.728 177.049 175.328 -0.011 0.000 1.057 505 H CA 1.244 57.287 56.048 -0.009 0.000 1.477 505 H CB 1.049 30.808 29.762 -0.005 0.000 1.529 505 H HN 0.894 9.174 8.280 -0.000 0.000 0.508 506 G N 3.057 111.897 108.800 0.066 0.000 2.422 506 G HA2 -0.290 3.671 3.960 0.002 0.000 0.218 506 G HA3 -0.290 3.671 3.960 0.002 0.000 0.218 506 G C 1.504 176.440 174.900 0.060 0.000 1.146 506 G CA 0.434 45.562 45.100 0.046 0.000 0.769 506 G HN 0.504 8.794 8.290 -0.000 0.000 0.547 507 E N 0.643 120.886 120.200 0.072 0.000 2.130 507 E HA -0.111 4.240 4.350 0.002 0.000 0.196 507 E C 2.487 179.121 176.600 0.056 0.000 0.998 507 E CA 1.237 57.671 56.400 0.057 0.000 0.806 507 E CB -0.025 29.708 29.700 0.055 0.000 0.738 507 E HN 0.368 8.728 8.360 -0.000 0.000 0.459 508 E N -0.345 119.896 120.200 0.069 0.000 2.230 508 E HA -0.027 4.324 4.350 0.002 0.000 0.192 508 E C 2.150 178.794 176.600 0.074 0.000 0.987 508 E CA 0.415 56.851 56.400 0.060 0.000 0.841 508 E CB -0.072 29.662 29.700 0.055 0.000 0.783 508 E HN 0.161 8.521 8.360 -0.000 0.000 0.481 509 V N 1.436 121.394 119.914 0.074 0.000 2.453 509 V HA -0.154 3.967 4.120 0.002 0.000 0.247 509 V C 2.326 178.485 176.094 0.109 0.000 1.048 509 V CA 0.986 63.354 62.300 0.113 0.000 1.049 509 V CB -0.366 31.507 31.823 0.083 0.000 0.672 509 V HN 0.173 8.363 8.190 -0.000 0.000 0.457 510 I N -0.206 120.408 120.570 0.074 0.000 2.179 510 I HA -0.251 3.920 4.170 0.002 0.000 0.242 510 I C 2.746 178.891 176.117 0.047 0.000 1.088 510 I CA 1.615 62.949 61.300 0.055 0.000 1.357 510 I CB -0.437 37.587 38.000 0.039 0.000 1.051 510 I HN 0.193 8.403 8.210 -0.000 0.000 0.409 511 R N 0.567 121.095 120.500 0.047 0.000 2.117 511 R HA -0.191 4.150 4.340 0.002 0.000 0.243 511 R C 1.858 178.182 176.300 0.040 0.000 1.143 511 R CA 2.077 58.199 56.100 0.038 0.000 0.968 511 R CB -0.147 30.175 30.300 0.038 0.000 0.863 511 R HN 0.502 8.772 8.270 -0.000 0.000 0.444 512 T N -3.427 111.163 114.554 0.061 0.000 3.085 512 T HA 0.166 4.517 4.350 0.002 0.000 0.264 512 T C 0.474 175.207 174.700 0.054 0.000 1.019 512 T CA 0.155 62.291 62.100 0.060 0.000 0.910 512 T CB 0.580 69.502 68.868 0.090 0.000 1.059 512 T HN -0.018 8.222 8.240 -0.000 0.000 0.542 513 V N 1.081 121.028 119.914 0.056 0.000 5.691 513 V HA -0.259 3.863 4.120 0.002 0.000 0.288 513 V C 1.975 178.100 176.094 0.052 0.000 0.615 513 V CA 0.583 62.910 62.300 0.045 0.000 0.619 513 V CB -2.726 29.102 31.823 0.008 0.000 0.296 513 V HN 0.713 8.903 8.190 -0.000 0.000 0.834 514 G N 1.624 110.497 108.800 0.123 0.000 2.459 514 G HA2 -0.266 3.696 3.960 0.002 0.000 0.217 514 G HA3 -0.266 3.696 3.960 0.002 0.000 0.217 514 G C 1.479 176.266 174.900 -0.189 0.000 1.183 514 G CA 1.644 46.797 45.100 0.088 0.000 0.776 514 G HN 0.980 9.270 8.290 -0.000 0.000 0.552 515 T N -2.172 112.399 114.554 0.028 0.000 2.904 515 T HA -0.083 4.269 4.350 0.002 0.000 0.267 515 T C 2.074 176.750 174.700 -0.040 0.000 1.059 515 T CA 1.538 63.631 62.100 -0.011 0.000 1.137 515 T CB -0.408 68.570 68.868 0.183 0.000 0.879 515 T HN 0.415 8.655 8.240 -0.000 0.000 0.467 516 H N 1.015 119.976 119.070 -0.182 0.000 2.387 516 H HA 0.104 4.661 4.556 0.002 0.000 0.299 516 H C 1.986 177.137 175.328 -0.294 0.000 1.090 516 H CA 1.415 57.189 56.048 -0.456 0.000 1.332 516 H CB -0.517 28.910 29.762 -0.558 0.000 1.386 516 H HN 0.291 8.571 8.280 -0.000 0.000 0.516 517 L N -0.184 120.884 121.223 -0.257 0.000 2.046 517 L HA -0.099 4.243 4.340 0.002 0.000 0.208 517 L C 2.219 178.907 176.870 -0.304 0.000 1.077 517 L CA 1.314 55.994 54.840 -0.266 0.000 0.747 517 L CB -0.768 41.180 42.059 -0.185 0.000 0.896 517 L HN 0.233 8.463 8.230 -0.000 0.000 0.432 518 V N -1.138 118.565 119.914 -0.352 0.000 2.343 518 V HA -0.269 3.852 4.120 0.002 0.000 0.247 518 V C 2.499 178.477 176.094 -0.194 0.000 1.051 518 V CA 1.697 63.808 62.300 -0.315 0.000 1.036 518 V CB -0.484 31.098 31.823 -0.401 0.000 0.654 518 V HN 0.350 8.540 8.190 -0.000 0.000 0.451 519 V N -0.161 119.660 119.914 -0.155 0.000 2.427 519 V HA -0.198 3.924 4.120 0.002 0.000 0.248 519 V C 2.530 178.547 176.094 -0.128 0.000 1.051 519 V CA 2.005 64.270 62.300 -0.059 0.000 1.048 519 V CB -0.513 31.412 31.823 0.170 0.000 0.666 519 V HN 0.576 8.766 8.190 -0.000 0.000 0.456 520 E N 0.493 120.523 120.200 -0.283 0.000 2.106 520 E HA -0.151 4.200 4.350 0.002 0.000 0.192 520 E C 2.013 178.526 176.600 -0.145 0.000 0.984 520 E CA 1.262 57.519 56.400 -0.239 0.000 0.806 520 E CB -0.356 29.138 29.700 -0.343 0.000 0.750 520 E HN 0.563 8.923 8.360 -0.000 0.000 0.458 521 L N -0.359 120.773 121.223 -0.151 0.000 2.046 521 L HA -0.161 4.180 4.340 0.002 0.000 0.208 521 L C 2.620 179.440 176.870 -0.084 0.000 1.077 521 L CA 1.257 56.029 54.840 -0.113 0.000 0.747 521 L CB -0.441 41.542 42.059 -0.128 0.000 0.896 521 L HN 0.243 8.473 8.230 -0.000 0.000 0.432 522 M N -0.502 119.051 119.600 -0.079 0.000 2.149 522 M HA -0.223 4.259 4.480 0.002 0.000 0.261 522 M C 2.051 178.331 176.300 -0.034 0.000 1.064 522 M CA 1.615 56.886 55.300 -0.049 0.000 1.102 522 M CB -0.612 31.967 32.600 -0.035 0.000 1.369 522 M HN 0.274 8.564 8.290 -0.000 0.000 0.408 523 N N 0.416 119.095 118.700 -0.035 0.000 2.104 523 N HA -0.165 4.577 4.740 0.002 0.000 0.190 523 N C 1.389 176.886 175.510 -0.021 0.000 1.024 523 N CA 1.332 54.372 53.050 -0.017 0.000 0.853 523 N CB 0.008 38.486 38.487 -0.015 0.000 1.008 523 N HN 0.264 8.644 8.380 -0.000 0.000 0.424 524 Q N -1.037 118.742 119.800 -0.036 0.000 2.320 524 Q HA 0.277 4.618 4.340 0.002 0.000 0.201 524 Q C 0.782 176.763 176.000 -0.031 0.000 0.910 524 Q CA 0.573 56.357 55.803 -0.032 0.000 0.946 524 Q CB 0.351 29.066 28.738 -0.039 0.000 1.062 524 Q HN 0.520 8.790 8.270 -0.000 0.000 0.503 525 G N 0.592 109.373 108.800 -0.031 0.000 2.205 525 G HA2 -0.205 3.756 3.960 0.002 0.000 0.180 525 G HA3 -0.205 3.756 3.960 0.002 0.000 0.180 525 G C 0.157 175.037 174.900 -0.034 0.000 1.004 525 G CA -0.585 44.499 45.100 -0.027 0.000 0.670 525 G HN 0.234 8.524 8.290 -0.000 0.000 0.496 526 R N 1.608 122.082 120.500 -0.044 0.000 2.594 526 R HA 0.499 4.840 4.340 0.002 0.000 0.272 526 R C 1.406 177.680 176.300 -0.045 0.000 1.074 526 R CA 0.601 56.671 56.100 -0.050 0.000 1.105 526 R CB 0.455 30.716 30.300 -0.065 0.000 1.008 526 R HN 0.385 8.655 8.270 -0.000 0.000 0.472 527 T N 0.052 114.580 114.554 -0.045 0.000 2.813 527 T HA 0.103 4.455 4.350 0.002 0.000 0.297 527 T C -1.805 172.870 174.700 -0.042 0.000 1.036 527 T CA -1.502 60.574 62.100 -0.041 0.000 1.044 527 T CB 0.894 69.735 68.868 -0.045 0.000 0.993 527 T HN 0.299 8.539 8.240 -0.000 0.000 0.535 528 P HA -0.145 4.275 4.420 -0.000 0.000 0.216 528 P C 1.889 179.174 177.300 -0.025 0.000 1.150 528 P CA 0.839 63.925 63.100 -0.024 0.000 0.837 528 P CB 0.019 31.721 31.700 0.002 0.000 0.786 529 Q N 0.065 119.849 119.800 -0.027 0.000 2.050 529 Q HA -0.222 4.120 4.340 0.002 0.000 0.202 529 Q C 2.140 178.119 176.000 -0.035 0.000 0.980 529 Q CA 1.854 57.656 55.803 -0.002 0.000 0.840 529 Q CB -0.542 28.197 28.738 0.001 0.000 0.898 529 Q HN 0.350 8.620 8.270 -0.000 0.000 0.424 530 Q N -0.334 119.429 119.800 -0.062 0.000 2.096 530 Q HA -0.149 4.193 4.340 0.002 0.000 0.204 530 Q C 2.026 177.959 176.000 -0.112 0.000 0.982 530 Q CA 1.637 57.382 55.803 -0.096 0.000 0.850 530 Q CB -0.193 28.498 28.738 -0.078 0.000 0.901 530 Q HN 0.445 8.715 8.270 -0.000 0.000 0.422 531 A N 0.264 123.029 122.820 -0.092 0.000 1.898 531 A HA -0.196 4.125 4.320 0.002 0.000 0.216 531 A C 2.305 179.810 177.584 -0.132 0.000 1.181 531 A CA 1.249 53.218 52.037 -0.114 0.000 0.620 531 A CB -1.196 17.739 19.000 -0.107 0.000 0.819 531 A HN 0.577 8.727 8.150 -0.000 0.000 0.442 532 C N -0.202 119.054 119.300 -0.072 0.000 2.413 532 C HA -0.131 4.330 4.460 0.002 0.000 0.276 532 C C 2.689 177.706 174.990 0.045 0.000 1.236 532 C CA 1.816 60.851 59.018 0.029 0.000 1.735 532 C CB -1.088 26.745 27.740 0.156 0.000 2.031 532 C HN 0.678 8.908 8.230 -0.000 0.000 0.474 533 K N 0.374 120.686 120.400 -0.147 0.000 2.026 533 K HA -0.216 4.106 4.320 0.002 0.000 0.208 533 K C 2.227 178.645 176.600 -0.303 0.000 1.048 533 K CA 2.015 57.964 56.287 -0.564 0.000 0.929 533 K CB -0.474 31.516 32.500 -0.849 0.000 0.713 533 K HN 0.716 8.966 8.250 -0.000 0.000 0.439 534 E N -0.139 119.940 120.200 -0.202 0.000 2.110 534 E HA -0.187 4.164 4.350 0.002 0.000 0.193 534 E C 1.722 178.273 176.600 -0.081 0.000 0.988 534 E CA 0.980 57.300 56.400 -0.132 0.000 0.804 534 E CB -0.107 29.522 29.700 -0.118 0.000 0.745 534 E HN 0.425 8.785 8.360 -0.000 0.000 0.458 535 A N 0.554 123.319 122.820 -0.092 0.000 1.902 535 A HA -0.129 4.193 4.320 0.002 0.000 0.217 535 A C 2.405 180.064 177.584 0.124 0.000 1.181 535 A CA 1.388 53.383 52.037 -0.071 0.000 0.623 535 A CB -0.682 18.106 19.000 -0.352 0.000 0.818 535 A HN 0.231 8.381 8.150 -0.000 0.000 0.443 536 V N 0.188 120.236 119.914 0.223 0.000 2.343 536 V HA -0.275 3.847 4.120 0.002 0.000 0.247 536 V C 2.390 178.580 176.094 0.160 0.000 1.051 536 V CA 2.361 64.829 62.300 0.281 0.000 1.036 536 V CB -0.775 31.291 31.823 0.405 0.000 0.654 536 V HN 0.654 8.844 8.190 -0.000 0.000 0.451 537 E N -0.576 119.670 120.200 0.077 0.000 2.152 537 E HA -0.137 4.215 4.350 0.002 0.000 0.192 537 E C 2.470 179.092 176.600 0.037 0.000 0.983 537 E CA 0.543 56.970 56.400 0.046 0.000 0.818 537 E CB -0.129 29.563 29.700 -0.014 0.000 0.758 537 E HN 0.505 8.865 8.360 -0.000 0.000 0.467 538 R N 0.583 121.100 120.500 0.028 0.000 2.091 538 R HA -0.137 4.205 4.340 0.002 0.000 0.238 538 R C 2.377 178.707 176.300 0.050 0.000 1.136 538 R CA 1.148 57.264 56.100 0.028 0.000 0.959 538 R CB -0.378 29.929 30.300 0.012 0.000 0.856 538 R HN 0.235 8.505 8.270 -0.000 0.000 0.437 539 I N 0.334 120.954 120.570 0.083 0.000 2.226 539 I HA -0.263 3.909 4.170 0.002 0.000 0.245 539 I C 2.348 178.503 176.117 0.065 0.000 1.100 539 I CA 1.103 62.454 61.300 0.086 0.000 1.374 539 I CB -0.271 37.802 38.000 0.122 0.000 1.057 539 I HN -0.018 8.192 8.210 -0.000 0.000 0.413 540 V N 0.984 120.941 119.914 0.072 0.000 2.287 540 V HA -0.310 3.812 4.120 0.002 0.000 0.248 540 V C 2.429 178.548 176.094 0.042 0.000 1.053 540 V CA 1.924 64.260 62.300 0.061 0.000 1.027 540 V CB -0.643 31.225 31.823 0.074 0.000 0.646 540 V HN 0.393 8.583 8.190 -0.000 0.000 0.447 541 K N -0.456 119.966 120.400 0.036 0.000 2.057 541 K HA -0.139 4.182 4.320 0.002 0.000 0.207 541 K C 1.995 178.608 176.600 0.022 0.000 1.049 541 K CA 1.322 57.623 56.287 0.024 0.000 0.931 541 K CB -0.229 32.282 32.500 0.017 0.000 0.714 541 K HN 0.294 8.544 8.250 -0.000 0.000 0.440 542 I N 0.669 121.254 120.570 0.025 0.000 2.252 542 I HA -0.191 3.980 4.170 0.002 0.000 0.245 542 I C 2.267 178.395 176.117 0.019 0.000 1.102 542 I CA 1.080 62.393 61.300 0.022 0.000 1.385 542 I CB -1.035 36.981 38.000 0.026 0.000 1.064 542 I HN -0.085 8.125 8.210 -0.000 0.000 0.414 543 V N 1.574 121.501 119.914 0.021 0.000 2.324 543 V HA -0.319 3.803 4.120 0.002 0.000 0.250 543 V C 2.441 178.542 176.094 0.012 0.000 1.060 543 V CA 2.187 64.496 62.300 0.014 0.000 1.042 543 V CB -0.837 30.995 31.823 0.015 0.000 0.650 543 V HN 0.540 8.730 8.190 -0.000 0.000 0.450 544 N N -0.007 118.702 118.700 0.016 0.000 2.142 544 N HA -0.163 4.578 4.740 0.002 0.000 0.186 544 N C 2.091 177.608 175.510 0.011 0.000 1.023 544 N CA 1.201 54.259 53.050 0.014 0.000 0.852 544 N CB -0.015 38.482 38.487 0.017 0.000 0.998 544 N HN 0.434 8.814 8.380 -0.000 0.000 0.424 545 R N 0.425 120.932 120.500 0.011 0.000 2.127 545 R HA -0.011 4.330 4.340 0.002 0.000 0.238 545 R C 1.775 178.079 176.300 0.008 0.000 1.134 545 R CA 1.084 57.190 56.100 0.009 0.000 0.975 545 R CB -0.045 30.261 30.300 0.009 0.000 0.865 545 R HN 0.264 8.534 8.270 -0.000 0.000 0.447 546 R N -0.403 120.101 120.500 0.008 0.000 2.310 546 R HA 0.077 4.418 4.340 0.002 0.000 0.202 546 R C 0.818 177.121 176.300 0.005 0.000 0.933 546 R CA 0.527 56.630 56.100 0.006 0.000 1.054 546 R CB 0.487 30.791 30.300 0.006 0.000 0.985 546 R HN 0.337 8.607 8.270 -0.000 0.000 0.489 547 G N 1.936 110.739 108.800 0.006 0.000 2.198 547 G HA2 -0.266 3.696 3.960 0.002 0.000 0.260 547 G HA3 -0.266 3.696 3.960 0.002 0.000 0.260 547 G C -0.106 174.796 174.900 0.003 0.000 1.025 547 G CA 0.260 45.363 45.100 0.005 0.000 0.769 547 G HN 0.102 8.392 8.290 -0.000 0.000 0.507 548 K N -0.282 120.118 120.400 0.001 0.000 2.210 548 K HA 0.446 4.767 4.320 0.002 0.000 0.236 548 K C -0.131 176.468 176.600 -0.003 0.000 1.016 548 K CA -1.119 55.166 56.287 -0.005 0.000 0.913 548 K CB 0.739 33.231 32.500 -0.013 0.000 1.141 548 K HN 0.141 8.391 8.250 -0.000 0.000 0.462 549 N N 1.785 120.480 118.700 -0.008 0.000 2.444 549 N HA 0.057 4.799 4.740 0.002 0.000 0.262 549 N C 0.639 176.146 175.510 -0.005 0.000 0.974 549 N CA -0.228 52.821 53.050 -0.001 0.000 0.933 549 N CB 0.926 39.413 38.487 0.001 0.000 1.137 549 N HN 0.371 8.751 8.380 -0.000 0.000 0.498 550 L N 4.365 125.593 121.223 0.008 0.000 2.189 550 L HA -0.103 4.238 4.340 0.002 0.000 0.214 550 L C 2.010 178.889 176.870 0.014 0.000 1.097 550 L CA 1.672 56.520 54.840 0.014 0.000 0.764 550 L CB -0.338 41.743 42.059 0.036 0.000 0.900 550 L HN 0.533 8.763 8.230 -0.000 0.000 0.436 551 K N -0.152 120.257 120.400 0.016 0.000 2.280 551 K HA -0.152 4.170 4.320 0.002 0.000 0.202 551 K C 1.432 178.039 176.600 0.011 0.000 1.047 551 K CA 1.469 57.769 56.287 0.021 0.000 0.942 551 K CB -0.355 32.159 32.500 0.023 0.000 0.739 551 K HN 0.412 8.662 8.250 -0.000 0.000 0.457 552 D N -0.191 120.196 120.400 -0.022 0.000 2.355 552 D HA -0.013 4.628 4.640 0.002 0.000 0.218 552 D C -0.080 176.113 176.300 -0.178 0.000 1.004 552 D CA 0.420 54.381 54.000 -0.064 0.000 0.880 552 D CB 0.297 41.048 40.800 -0.082 0.000 0.911 552 D HN 0.109 8.479 8.370 -0.000 0.000 0.528 553 I N 1.079 121.582 120.570 -0.113 0.000 2.436 553 I HA 0.261 4.432 4.170 0.002 0.000 0.289 553 I C -0.124 176.067 176.117 0.124 0.000 1.010 553 I CA -0.892 60.325 61.300 -0.138 0.000 1.098 553 I CB 1.733 39.679 38.000 -0.090 0.000 1.266 553 I HN -0.247 7.963 8.210 -0.000 0.000 0.434 554 Q N 5.371 125.410 119.800 0.400 0.000 2.340 554 Q HA 0.732 5.073 4.340 0.002 0.000 0.268 554 Q C -1.859 174.178 176.000 0.061 0.000 1.031 554 Q CA -0.464 55.443 55.803 0.173 0.000 0.804 554 Q CB 2.071 30.898 28.738 0.147 0.000 1.286 554 Q HN 0.461 8.731 8.270 -0.000 0.000 0.448 555 V N 2.781 122.627 119.914 -0.114 0.000 2.733 555 V HA 0.934 5.055 4.120 0.002 0.000 0.306 555 V C -0.177 175.593 176.094 -0.541 0.000 1.084 555 V CA -0.332 61.776 62.300 -0.320 0.000 0.905 555 V CB 2.166 33.812 31.823 -0.295 0.000 1.010 555 V HN 0.830 9.020 8.190 -0.000 0.000 0.424 556 G N 2.465 110.756 108.800 -0.848 0.000 2.519 556 G HA2 0.805 4.767 3.960 0.002 0.000 0.307 556 G HA3 0.805 4.767 3.960 0.002 0.000 0.307 556 G C -1.767 172.549 174.900 -0.974 0.000 1.266 556 G CA -0.467 44.025 45.100 -1.014 0.000 0.970 556 G HN 0.329 8.619 8.290 -0.000 0.000 0.481 557 F N 0.363 120.175 119.950 -0.229 0.000 2.532 557 F HA 0.639 5.167 4.527 0.002 0.000 0.321 557 F C 0.561 176.314 175.800 -0.079 0.000 1.089 557 F CA -1.003 56.928 58.000 -0.115 0.000 0.926 557 F CB 2.213 41.186 39.000 -0.044 0.000 1.168 557 F HN 0.512 8.812 8.300 -0.000 0.000 0.459 558 I N 0.446 121.091 120.570 0.125 0.000 2.740 558 I HA 1.026 5.198 4.170 0.002 0.000 0.303 558 I C -1.035 175.096 176.117 0.023 0.000 1.044 558 I CA -0.953 60.336 61.300 -0.018 0.000 1.064 558 I CB 2.117 40.056 38.000 -0.102 0.000 1.249 558 I HN 0.640 8.850 8.210 -0.000 0.000 0.433 559 A N 4.501 127.312 122.820 -0.016 0.000 2.574 559 A HA 0.843 5.164 4.320 0.002 0.000 0.297 559 A C -1.985 175.629 177.584 0.050 0.000 1.062 559 A CA -0.495 51.554 52.037 0.020 0.000 0.686 559 A CB 1.986 20.990 19.000 0.006 0.000 1.285 559 A HN 0.694 8.844 8.150 -0.000 0.000 0.403 560 L N 1.976 123.230 121.223 0.053 0.000 2.431 560 L HA 0.630 4.971 4.340 0.002 0.000 0.266 560 L C -0.522 176.378 176.870 0.051 0.000 0.978 560 L CA -0.337 54.552 54.840 0.083 0.000 0.822 560 L CB 2.062 44.165 42.059 0.073 0.000 1.310 560 L HN 1.004 9.234 8.230 -0.000 0.000 0.409 561 N N 2.257 120.990 118.700 0.055 0.000 2.671 561 N HA 0.352 5.093 4.740 0.002 0.000 0.303 561 N C 0.089 175.620 175.510 0.036 0.000 1.277 561 N CA -0.353 52.717 53.050 0.032 0.000 0.933 561 N CB 0.426 38.925 38.487 0.021 0.000 1.190 561 N HN 0.573 8.953 8.380 -0.000 0.000 0.600 562 K N -1.039 119.376 120.400 0.025 0.000 2.525 562 K HA 0.095 4.417 4.320 0.002 0.000 0.192 562 K C 0.330 176.949 176.600 0.032 0.000 1.029 562 K CA 0.716 57.018 56.287 0.024 0.000 1.029 562 K CB -0.093 32.417 32.500 0.017 0.000 0.814 562 K HN 0.406 8.656 8.250 -0.000 0.000 0.503 563 K N 0.448 120.870 120.400 0.037 0.000 2.387 563 K HA 0.108 4.429 4.320 0.002 0.000 0.198 563 K C 0.582 177.221 176.600 0.065 0.000 1.022 563 K CA 0.377 56.689 56.287 0.043 0.000 1.128 563 K CB 0.616 33.135 32.500 0.032 0.000 0.853 563 K HN 0.439 8.689 8.250 -0.000 0.000 0.523 564 G N 1.965 110.814 108.800 0.082 0.000 2.162 564 G HA2 -0.296 3.665 3.960 0.002 0.000 0.260 564 G HA3 -0.296 3.665 3.960 0.002 0.000 0.260 564 G C -0.312 174.694 174.900 0.177 0.000 0.976 564 G CA 0.054 45.231 45.100 0.128 0.000 0.655 564 G HN 0.409 8.699 8.290 -0.000 0.000 0.533 565 E N -0.437 119.832 120.200 0.114 0.000 2.383 565 E HA 0.549 4.901 4.350 0.002 0.000 0.264 565 E C 0.152 176.833 176.600 0.135 0.000 1.050 565 E CA 0.015 56.458 56.400 0.070 0.000 0.896 565 E CB 0.456 30.154 29.700 -0.002 0.000 0.982 565 E HN 0.709 9.069 8.360 -0.000 0.000 0.424 566 Y N -1.145 119.177 120.300 0.036 0.000 2.644 566 Y HA 0.814 5.364 4.550 0.001 0.000 0.338 566 Y C -0.210 175.689 175.900 -0.002 0.000 1.119 566 Y CA -0.988 57.121 58.100 0.014 0.000 1.060 566 Y CB 1.587 40.074 38.460 0.044 0.000 1.294 566 Y HN 0.573 8.853 8.280 -0.000 0.000 0.472 567 G N -0.141 108.731 108.800 0.120 0.000 2.506 567 G HA2 0.771 4.732 3.960 0.002 0.000 0.292 567 G HA3 0.771 4.732 3.960 0.002 0.000 0.292 567 G C -2.136 172.685 174.900 -0.133 0.000 1.425 567 G CA -0.377 44.725 45.100 0.004 0.000 0.788 567 G HN 1.549 9.839 8.290 -0.000 0.000 0.490 568 A N -1.133 121.653 122.820 -0.058 0.000 2.586 568 A HA 0.927 5.249 4.320 0.002 0.000 0.290 568 A C -2.040 175.703 177.584 0.264 0.000 1.086 568 A CA -0.603 51.426 52.037 -0.014 0.000 0.665 568 A CB 1.599 20.401 19.000 -0.330 0.000 1.279 568 A HN 2.126 10.276 8.150 -0.000 0.000 0.423 569 Y N -1.361 119.018 120.300 0.132 0.000 2.620 569 Y HA 0.490 5.042 4.550 0.003 0.000 0.331 569 Y C -0.465 175.490 175.900 0.092 0.000 1.173 569 Y CA -0.173 58.016 58.100 0.149 0.000 1.076 569 Y CB 1.534 40.066 38.460 0.120 0.000 1.336 569 Y HN 1.665 9.945 8.280 -0.000 0.000 0.459 570 C N 2.888 122.084 119.300 -0.173 0.000 3.323 570 C HA 0.603 5.064 4.460 0.002 0.000 0.324 570 C C 0.617 175.580 174.990 -0.043 0.000 1.428 570 C CA -0.854 58.084 59.018 -0.134 0.000 1.368 570 C CB 0.432 28.048 27.740 -0.208 0.000 1.731 570 C HN 0.774 9.004 8.230 -0.000 0.000 0.455 571 I N 0.713 121.274 120.570 -0.014 0.000 2.235 571 I HA 0.010 4.181 4.170 0.002 0.000 0.241 571 I C 1.243 177.418 176.117 0.096 0.000 1.085 571 I CA 1.646 62.988 61.300 0.070 0.000 1.378 571 I CB -1.123 36.905 38.000 0.047 0.000 1.076 571 I HN 0.735 8.945 8.210 -0.000 0.000 0.415 572 Q N 0.990 120.802 119.800 0.021 0.000 2.348 572 Q HA 0.220 4.561 4.340 0.002 0.000 0.271 572 Q C -0.724 175.131 176.000 -0.242 0.000 1.067 572 Q CA -0.954 54.819 55.803 -0.050 0.000 0.839 572 Q CB 2.196 30.922 28.738 -0.021 0.000 1.354 572 Q HN 0.253 8.523 8.270 -0.000 0.000 0.447 573 D N -0.806 119.189 120.400 -0.675 0.000 2.369 573 D HA 0.210 4.851 4.640 0.002 0.000 0.241 573 D C 0.891 177.016 176.300 -0.293 0.000 1.271 573 D CA 0.538 54.001 54.000 -0.896 0.000 0.942 573 D CB 0.460 40.398 40.800 -1.438 0.000 1.129 573 D HN 0.755 9.125 8.370 -0.000 0.000 0.476 574 G N -1.169 107.528 108.800 -0.173 0.000 2.176 574 G HA2 -0.226 3.736 3.960 0.002 0.000 0.232 574 G HA3 -0.226 3.736 3.960 0.002 0.000 0.232 574 G C -0.059 174.938 174.900 0.161 0.000 0.986 574 G CA 0.116 45.221 45.100 0.008 0.000 0.643 574 G HN 0.587 8.877 8.290 -0.000 0.000 0.522 575 F N 2.682 122.579 119.950 -0.088 0.000 2.411 575 F HA 0.689 5.218 4.527 0.003 0.000 0.355 575 F C 0.167 175.870 175.800 -0.162 0.000 1.117 575 F CA -1.152 56.687 58.000 -0.268 0.000 1.139 575 F CB 0.565 39.264 39.000 -0.501 0.000 1.120 575 F HN 0.167 8.467 8.300 -0.000 0.000 0.493 576 N N 4.990 123.172 118.700 -0.862 0.000 2.402 576 N HA 0.645 5.386 4.740 0.002 0.000 0.294 576 N C -1.515 173.365 175.510 -1.049 0.000 1.203 576 N CA -0.772 51.837 53.050 -0.735 0.000 0.838 576 N CB 1.762 40.017 38.487 -0.386 0.000 1.306 576 N HN 0.461 8.841 8.380 -0.000 0.000 0.510 577 F N -1.252 118.282 119.950 -0.693 0.000 2.611 577 F HA 0.923 5.452 4.527 0.003 0.000 0.324 577 F C -1.121 174.540 175.800 -0.232 0.000 1.061 577 F CA -1.464 56.263 58.000 -0.454 0.000 0.954 577 F CB 0.925 39.749 39.000 -0.293 0.000 1.301 577 F HN 0.402 8.702 8.300 -0.000 0.000 0.482 578 A N 1.469 124.239 122.820 -0.083 0.000 2.342 578 A HA 0.751 5.073 4.320 0.002 0.000 0.323 578 A C -1.539 176.019 177.584 -0.044 0.000 1.125 578 A CA -0.825 51.121 52.037 -0.153 0.000 0.785 578 A CB 1.458 20.419 19.000 -0.066 0.000 1.221 578 A HN 1.421 9.571 8.150 -0.000 0.000 0.463 579 V N 3.705 123.518 119.914 -0.167 0.000 2.577 579 V HA 0.581 4.703 4.120 0.002 0.000 0.303 579 V C -1.517 174.469 176.094 -0.180 0.000 1.042 579 V CA -0.532 61.660 62.300 -0.180 0.000 0.872 579 V CB 1.688 33.245 31.823 -0.444 0.000 0.998 579 V HN 0.997 9.187 8.190 -0.000 0.000 0.423 580 H N 5.442 124.371 119.070 -0.234 0.000 2.646 580 H HA 0.675 5.233 4.556 0.003 0.000 0.328 580 H C -0.953 174.117 175.328 -0.430 0.000 0.998 580 H CA -0.300 55.509 56.048 -0.399 0.000 1.225 580 H CB 1.800 31.311 29.762 -0.420 0.000 1.457 580 H HN 1.006 9.286 8.280 -0.000 0.000 0.505 581 D N 1.511 121.808 120.400 -0.172 0.000 2.846 581 D HA 0.077 4.718 4.640 0.002 0.000 0.273 581 D C 0.870 177.086 176.300 -0.140 0.000 1.145 581 D CA -0.521 53.431 54.000 -0.080 0.000 1.091 581 D CB 0.660 41.509 40.800 0.083 0.000 1.364 581 D HN 0.285 8.655 8.370 -0.000 0.000 0.613 582 Q N -0.627 119.278 119.800 0.175 0.000 2.364 582 Q HA -0.055 4.287 4.340 0.002 0.000 0.209 582 Q C 1.154 177.205 176.000 0.086 0.000 0.977 582 Q CA 0.980 56.921 55.803 0.230 0.000 0.885 582 Q CB 0.003 28.887 28.738 0.243 0.000 0.941 582 Q HN 0.457 8.727 8.270 -0.000 0.000 0.464 583 K N -0.423 119.984 120.400 0.012 0.000 2.379 583 K HA 0.140 4.462 4.320 0.002 0.000 0.194 583 K C 0.730 177.265 176.600 -0.108 0.000 1.031 583 K CA 0.522 56.797 56.287 -0.021 0.000 1.037 583 K CB 0.826 33.324 32.500 -0.004 0.000 0.824 583 K HN 0.201 8.451 8.250 -0.000 0.000 0.516 584 G N 1.143 109.808 108.800 -0.225 0.000 2.315 584 G HA2 -0.144 3.817 3.960 0.002 0.000 0.296 584 G HA3 -0.144 3.817 3.960 0.002 0.000 0.296 584 G C -1.918 172.547 174.900 -0.725 0.000 1.289 584 G CA -0.983 43.853 45.100 -0.440 0.000 0.996 584 G HN 0.096 8.386 8.290 -0.000 0.000 0.487 585 N N 0.232 118.452 118.700 -0.801 0.000 2.392 585 N HA 0.700 5.441 4.740 0.002 0.000 0.283 585 N C -0.331 174.956 175.510 -0.372 0.000 1.003 585 N CA -0.448 52.156 53.050 -0.745 0.000 0.892 585 N CB 1.021 39.006 38.487 -0.836 0.000 1.193 585 N HN 0.643 9.023 8.380 -0.000 0.000 0.487 586 R N 2.067 122.390 120.500 -0.294 0.000 2.686 586 R HA 0.464 4.805 4.340 0.002 0.000 0.283 586 R C -1.145 174.996 176.300 -0.266 0.000 0.978 586 R CA -1.090 54.869 56.100 -0.234 0.000 0.897 586 R CB 1.964 32.147 30.300 -0.195 0.000 1.192 586 R HN 0.350 8.620 8.270 -0.000 0.000 0.457 587 L N 2.388 123.465 121.223 -0.244 0.000 2.257 587 L HA 0.340 4.682 4.340 0.002 0.000 0.290 587 L C -0.609 176.038 176.870 -0.372 0.000 1.044 587 L CA 0.355 55.015 54.840 -0.300 0.000 0.810 587 L CB 0.879 42.822 42.059 -0.193 0.000 1.193 587 L HN 0.579 8.809 8.230 -0.000 0.000 0.425 588 E N 2.483 122.295 120.200 -0.647 0.000 2.299 588 E HA 0.566 4.917 4.350 0.002 0.000 0.265 588 E C -1.011 175.251 176.600 -0.563 0.000 0.911 588 E CA -0.879 55.157 56.400 -0.607 0.000 0.789 588 E CB 1.944 31.236 29.700 -0.680 0.000 1.246 588 E HN 0.449 8.809 8.360 -0.000 0.000 0.427 589 T N 3.388 117.815 114.554 -0.211 0.000 2.815 589 T HA 0.368 4.719 4.350 0.002 0.000 0.289 589 T C -2.266 172.507 174.700 0.122 0.000 1.000 589 T CA -1.225 60.840 62.100 -0.058 0.000 0.958 589 T CB 1.160 70.012 68.868 -0.027 0.000 0.944 589 T HN 0.322 8.562 8.240 -0.000 0.000 0.442 590 P HA 0.456 4.876 4.420 -0.000 0.000 0.279 590 P C 0.373 177.757 177.300 0.142 0.000 1.276 590 P CA -0.426 62.835 63.100 0.270 0.000 0.801 590 P CB 0.730 32.640 31.700 0.349 0.000 1.127 591 G N -0.315 108.499 108.800 0.023 0.000 2.606 591 G HA2 0.489 4.450 3.960 0.002 0.000 0.252 591 G HA3 0.489 4.450 3.960 0.002 0.000 0.252 591 G C -0.738 173.736 174.900 -0.709 0.000 1.206 591 G CA -0.516 44.449 45.100 -0.226 0.000 0.861 591 G HN 0.524 8.814 8.290 -0.000 0.000 0.561 592 F N -2.169 117.436 119.950 -0.576 0.000 2.599 592 F HA 0.714 5.241 4.527 -0.000 0.000 0.311 592 F C 0.713 176.414 175.800 -0.164 0.000 1.076 592 F CA -0.975 56.715 58.000 -0.516 0.000 0.937 592 F CB 1.597 40.472 39.000 -0.209 0.000 1.282 592 F HN 0.550 8.850 8.300 -0.000 0.000 0.460 593 A N 1.136 124.061 122.820 0.175 0.000 1.975 593 A HA 0.159 4.481 4.320 0.002 0.000 0.215 593 A C 0.734 178.433 177.584 0.192 0.000 1.170 593 A CA 0.600 52.783 52.037 0.243 0.000 0.656 593 A CB -0.222 18.945 19.000 0.278 0.000 0.821 593 A HN 0.614 8.764 8.150 -0.000 0.000 0.449 594 L N 1.737 123.122 121.223 0.270 0.000 2.356 594 L HA 0.378 4.719 4.340 0.002 0.000 0.282 594 L C -0.245 176.805 176.870 0.301 0.000 1.132 594 L CA 0.045 55.018 54.840 0.222 0.000 0.923 594 L CB -0.937 41.220 42.059 0.164 0.000 1.278 594 L HN 0.206 8.436 8.230 -0.000 0.000 0.436 595 K N 0.000 120.516 120.400 0.193 0.000 2.780 595 K HA 0.000 4.321 4.320 0.002 0.000 0.191 595 K CA 0.000 56.395 56.287 0.180 0.000 0.838 595 K CB 0.000 32.527 32.500 0.045 0.000 1.064 595 K HN 0.000 8.250 8.250 -0.000 0.000 0.543